From a006e7a005da9177ff9a9eab77e5b15cfcfb9fda Mon Sep 17 00:00:00 2001
From: Pawel Krupa <vetinari@chem.univ.gda.pl>
Date: Tue, 4 Dec 2012 03:06:08 -0500
Subject: [PATCH] New examples based on current version of UNRES.

---
 .../new/MD/Berendsen/ff_1l2y/1L2Y_MD.out_GB000     |   34 +-
 examples/unres/new/MD/Berendsen/ff_1l2y/fort.2     |   26 +-
 examples/unres/new/MD/Berendsen/ff_1l2y/unres.csh  |    6 +-
 .../new/MD/Berendsen/ff_gab/1L2Y_MD.out_GB000      | 7640 ++++++-----
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_000.rst  |  148 +-
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_001.rst  |  148 +-
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_002.rst  |  148 +-
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_003.rst  |  148 +-
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_004.rst  |  148 +-
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_005.rst  |  148 +-
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_006.rst  |  148 +-
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_007.rst  |  148 +-
 .../new/MD/Berendsen/ff_gab/1L2Y_MD_GB000.stat     |  200 +-
 .../new/MD/Berendsen/ff_gab/1L2Y_MD_GB001.stat     |  200 +-
 .../new/MD/Berendsen/ff_gab/1L2Y_MD_GB002.stat     |  200 +-
 .../new/MD/Berendsen/ff_gab/1L2Y_MD_GB003.stat     |  200 +-
 .../new/MD/Berendsen/ff_gab/1L2Y_MD_GB004.stat     |  200 +-
 .../new/MD/Berendsen/ff_gab/1L2Y_MD_GB005.stat     |  200 +-
 .../new/MD/Berendsen/ff_gab/1L2Y_MD_GB006.stat     |  200 +-
 .../new/MD/Berendsen/ff_gab/1L2Y_MD_GB007.stat     |  200 +-
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD000.cx |  Bin 34864 -> 34800 bytes
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD001.cx |  Bin 34868 -> 34856 bytes
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD002.cx |  Bin 34828 -> 34796 bytes
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD003.cx |  Bin 34816 -> 34788 bytes
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD004.cx |  Bin 34836 -> 34828 bytes
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD005.cx |  Bin 34816 -> 34820 bytes
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD006.cx |  Bin 34812 -> 34812 bytes
 .../unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD007.cx |  Bin 34856 -> 34804 bytes
 examples/unres/new/MD/Berendsen/ff_gab/fort.2      | 8108 ++++++-----
 examples/unres/new/MD/Berendsen/ff_gab/unres.csh   |    9 +-
 .../new/MD/Langevin/ff_1l2y/1L2Y_MD.out_GB000      |   34 +-
 examples/unres/new/MD/Langevin/ff_1l2y/fort.2      |   16 +-
 examples/unres/new/MD/Langevin/ff_1l2y/unres.csh   |    6 +-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD.out_GB000 | 6892 +++++++++-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_000.rst   |  148 +-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_001.rst   |  148 +-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_002.rst   |  148 +-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_003.rst   |  148 +-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst   |  148 +-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_005.rst   |  148 +-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_006.rst   |  148 +-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_007.rst   |  148 +-
 .../new/MD/Langevin/ff_gab/1L2Y_MD_GB000.stat      |  202 +-
 .../new/MD/Langevin/ff_gab/1L2Y_MD_GB001.stat      |  202 +-
 .../new/MD/Langevin/ff_gab/1L2Y_MD_GB002.stat      |  202 +-
 .../new/MD/Langevin/ff_gab/1L2Y_MD_GB003.stat      |  202 +-
 .../new/MD/Langevin/ff_gab/1L2Y_MD_GB004.stat      |  202 +-
 .../new/MD/Langevin/ff_gab/1L2Y_MD_GB005.stat      |  202 +-
 .../new/MD/Langevin/ff_gab/1L2Y_MD_GB006.stat      |  202 +-
 .../new/MD/Langevin/ff_gab/1L2Y_MD_GB007.stat      |  202 +-
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD000.cx  |  Bin 34784 -> 34812 bytes
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD001.cx  |  Bin 34828 -> 34828 bytes
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD002.cx  |  Bin 34796 -> 34824 bytes
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD003.cx  |  Bin 34852 -> 34808 bytes
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD004.cx  |  Bin 34788 -> 34864 bytes
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD005.cx  |  Bin 34840 -> 34800 bytes
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD006.cx  |  Bin 34840 -> 34848 bytes
 .../unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD007.cx  |  Bin 34836 -> 34880 bytes
 examples/unres/new/MD/Langevin/ff_gab/fort.2       | 7392 +++++++++-
 examples/unres/new/MD/Langevin/ff_gab/unres.csh    |   17 +-
 .../new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD.out_GB000   |   30 +-
 examples/unres/new/MD/Nose_Hoover/ff_1l2y/fort.2   |   10 +-
 .../unres/new/MD/Nose_Hoover/ff_1l2y/unres.csh     |    6 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD.out_GB000    |  103 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_000.rst      |  148 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_001.rst      |  148 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_002.rst      |  148 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_003.rst      |  148 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_004.rst      |  148 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_005.rst      |  148 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_006.rst      |  148 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_007.rst      |  148 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB000.stat   |  200 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB001.stat   |  200 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB002.stat   |  200 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB003.stat   |  200 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB004.stat   |  200 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB005.stat   |  200 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB006.stat   |  200 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB007.stat   |  200 +-
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD000.cx     |  Bin 34824 -> 34832 bytes
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD001.cx     |  Bin 34792 -> 34732 bytes
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD002.cx     |  Bin 34832 -> 34784 bytes
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD003.cx     |  Bin 34812 -> 34848 bytes
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD004.cx     |  Bin 34768 -> 34840 bytes
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD005.cx     |  Bin 34828 -> 34748 bytes
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD006.cx     |  Bin 34836 -> 34808 bytes
 .../new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD007.cx     |  Bin 34800 -> 34816 bytes
 examples/unres/new/MD/Nose_Hoover/ff_gab/fort.2    |   83 +-
 examples/unres/new/MD/Nose_Hoover/ff_gab/unres.csh |    9 +-
 .../Berendsen/ff_1l2y/1L2Y_MD.out_GB000            |   34 +-
 .../MD/with_constrains/Berendsen/ff_1l2y/fort.2    |  195 +-
 .../MD/with_constrains/Berendsen/ff_1l2y/unres.csh |    6 +-
 .../Berendsen/ff_gab/1L2Y_MD.out_GB000             | 6762 +++++----
 .../Berendsen/ff_gab/1L2Y_MD_000.rst               |  148 +-
 .../Berendsen/ff_gab/1L2Y_MD_001.rst               |  148 +-
 .../Berendsen/ff_gab/1L2Y_MD_002.rst               |  148 +-
 .../Berendsen/ff_gab/1L2Y_MD_003.rst               |  148 +-
 .../Berendsen/ff_gab/1L2Y_MD_004.rst               |  148 +-
 .../Berendsen/ff_gab/1L2Y_MD_005.rst               |  148 +-
 .../Berendsen/ff_gab/1L2Y_MD_006.rst               |  148 +-
 .../Berendsen/ff_gab/1L2Y_MD_007.rst               |  148 +-
 .../Berendsen/ff_gab/1L2Y_MD_GB000.stat            |  200 +-
 .../Berendsen/ff_gab/1L2Y_MD_GB001.stat            |  200 +-
 .../Berendsen/ff_gab/1L2Y_MD_GB002.stat            |  200 +-
 .../Berendsen/ff_gab/1L2Y_MD_GB003.stat            |  200 +-
 .../Berendsen/ff_gab/1L2Y_MD_GB004.stat            |  200 +-
 .../Berendsen/ff_gab/1L2Y_MD_GB005.stat            |  200 +-
 .../Berendsen/ff_gab/1L2Y_MD_GB006.stat            |  200 +-
 .../Berendsen/ff_gab/1L2Y_MD_GB007.stat            |  200 +-
 .../Berendsen/ff_gab/1L2Y_MD_MD000.cx              |  Bin 34852 -> 34800 bytes
 .../Berendsen/ff_gab/1L2Y_MD_MD001.cx              |  Bin 34792 -> 34796 bytes
 .../Berendsen/ff_gab/1L2Y_MD_MD002.cx              |  Bin 34784 -> 34844 bytes
 .../Berendsen/ff_gab/1L2Y_MD_MD003.cx              |  Bin 34820 -> 34836 bytes
 .../Berendsen/ff_gab/1L2Y_MD_MD004.cx              |  Bin 34804 -> 34840 bytes
 .../Berendsen/ff_gab/1L2Y_MD_MD005.cx              |  Bin 34876 -> 34808 bytes
 .../Berendsen/ff_gab/1L2Y_MD_MD006.cx              |  Bin 34816 -> 34820 bytes
 .../Berendsen/ff_gab/1L2Y_MD_MD007.cx              |  Bin 34808 -> 34804 bytes
 .../new/MD/with_constrains/Berendsen/ff_gab/fort.2 | 7536 +++++-----
 .../MD/with_constrains/Berendsen/ff_gab/unres.csh  |    9 +-
 examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.inp    |    2 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD.out_GB000   |  577 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB000.stat  |  180 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB001.stat  |  140 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB002.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB003.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB004.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB005.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB006.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB007.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB008.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB009.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB010.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB011.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB012.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB013.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB014.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB015.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB016.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB017.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB018.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB019.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat  |  202 +-
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 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB022.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB023.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB024.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB025.stat  |  202 +-
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat  |  202 +-
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 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB032.stat  |  101 -
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 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_MD000.cx    |  Bin 223128 -> 111600 bytes
 .../unres/new/MREMD/ff_1l2y/1L2Y_MREMD_mremd.rst   |  Bin 71312 -> 35176 bytes
 examples/unres/new/MREMD/ff_1l2y/fort.2            |  153 +-
 examples/unres/new/MREMD/ff_1l2y/start.mat         |    2 +-
 examples/unres/new/MREMD/ff_1l2y/unres.csh         |    6 +-
 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.inp     |    2 +-
 .../unres/new/MREMD/ff_gab/1L2Y_MREMD.out_GB000    | 9598 ++++++-------
 .../unres/new/MREMD/ff_gab/1L2Y_MREMD_GB000.stat   |  202 +-
 .../unres/new/MREMD/ff_gab/1L2Y_MREMD_GB001.stat   |  202 +-
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 .../REMD/with_constrains/Berendsen/ff_gab/fort.2   |13027 +++++++++---------
 .../with_constrains/Berendsen/ff_gab/unres.csh     |    9 +-
 .../RESPA/ff_1l2y/1L2Y_micro.out_GB000             |   30 +-
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 .../unres/new/microcanonical/VTS/ff_gab/fort.2     |    6 +-
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 415 files changed, 78880 insertions(+), 69674 deletions(-)
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 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB041.stat
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 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB043.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB044.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB045.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB046.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB047.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB048.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB049.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB050.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB051.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB052.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB053.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB054.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB055.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB056.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB057.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB058.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB059.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB060.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB061.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB062.stat
 delete mode 100644 examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB063.stat

diff --git a/examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD.out_GB000 b/examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD.out_GB000
index c55be69..f378508 100644
--- a/examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD.out_GB000
+++ b/examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD.out_GB000
@@ -5,33 +5,33 @@
  Output file                     : 1L2Y_MD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 298
- compiled Thu Jul  5 05:49:13 2012
+ Version 2.5 build 303
+ compiled Mon Jul 23 17:44:56 2012
  compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
@@ -1505,13 +1505,13 @@ Momenta zeroed out, time           199999.80
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    3.77336E+02
+                  MD calculations setup:    3.51562E-02
+           Energy & gradient evaluation:    3.77250E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.10297E+02
+                               MD steps:    4.14176E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   416.281250000000       sec
+ Total wall clock time   414.414062500000       sec
diff --git a/examples/unres/new/MD/Berendsen/ff_1l2y/fort.2 b/examples/unres/new/MD/Berendsen/ff_1l2y/fort.2
index d3dff13..82b8f85 100644
--- a/examples/unres/new/MD/Berendsen/ff_1l2y/fort.2
+++ b/examples/unres/new/MD/Berendsen/ff_1l2y/fort.2
@@ -1105,34 +1105,32 @@ Momenta zeroed out, time           199999.80
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.82449E+02
+                  MD calculations setup:    3.12500E-02
+           Energy & gradient evaluation:    3.76590E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.16242E+02
+                               MD steps:    4.14094E+02
 
 
 ============================  End of MD calculation  ===========================
-setup:    0.00000E+00
-                               MD steps:    4.11590E+02
-
-
-============================  End of MD calculation  ===========================
-setup:    0.00000E+00
-                               MD steps:    4.09656E+02
+0
+Momenta zeroed out, time           199599.80
+Momenta zeroed out, time           199799.80
+Velocities reset to random values, time           199999.80
+Momenta zeroed out, time           199999.80
 
 
-============Velocities reset to random values, time           199999.80
+===================================  Timing  =========Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.76492E+02
+                  MD calculations setup:    2.73438E-02
+           Energy & gradient evaluation:    3.74918E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.10008E+02
+                               MD steps:    4.13520E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/MD/Berendsen/ff_1l2y/unres.csh b/examples/unres/new/MD/Berendsen/ff_1l2y/unres.csh
index 633b4ef..5db52b5 100755
--- a/examples/unres/new/MD/Berendsen/ff_1l2y/unres.csh
+++ b/examples/unres/new/MD/Berendsen/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD.out_GB000 b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD.out_GB000
index fb74407..75cd663 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD.out_GB000
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD.out_GB000
@@ -5,41 +5,41 @@
  Output file                     : 1L2Y_MD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
  p8g-sc
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/rotcorr_AM1.parm
- Bond & inertia constant file    : /users/aks255/newUNRES/unres/PARAM/bond.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/thetaml.5parm
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/scgauss.parm
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 62
- compiled Sun May 13 16:07:22 2012
- compiled by adam@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
  OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
  flags:
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
  FC= ifort
- OPT =  -O3 -ip -w 
+ OPT =  -g -ip -w -CB 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
  FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
  FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
@@ -310,7 +310,7 @@ Mesoscopic molecular dynamics (MD) calculation.
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
-  3.226027363508501E-017  2.674744206453251E-017  6.125368411725002E-018
+  1.837610523517500E-017 -2.960594732333751E-018  9.596410511702503E-018
 
 
               alpha-carbon coordinates            centroid coordinates
@@ -396,5758 +396,5902 @@ Initial:
 
     maximum acceleration    7.07629E-01
 
- acceleration/energy drift too large   4.39631851720149     
-   17.7852592610751       split increased to            2  itime         632 
+ acceleration/energy drift too large   4.39698356902336     
+   17.7905635972811       split increased to            2  itime         632 
   itsplit           1
 Momenta zeroed out, time              199.80
- acceleration/energy drift too large   2.20969368724860     
-   10.6781557894103       split increased to            2  itime        1372 
-  itsplit           1
- acceleration/energy drift too large   2.85382939406665     
-   17.1470343021035       split increased to            2  itime        1580 
-  itsplit           1
 Momenta zeroed out, time              399.80
- acceleration/energy drift too large   4.14541652938764     
-   15.2643075558331       split increased to            2  itime        2642 
+ acceleration/energy drift too large   3.39356027661444     
+   12.7525197055412       split increased to            2  itime        2927 
+  itsplit           1
+ acceleration/energy drift too large   3.02498088331513     
+   10.2921145518913       split increased to            2  itime        2930 
   itsplit           1
 Momenta zeroed out, time              599.80
- acceleration/energy drift too large   6.09445814164893     
-   15.7263834952579       split increased to            2  itime        3932 
+ acceleration/energy drift too large   4.54216331228309     
+   12.0462564939088       split increased to            2  itime        3052 
+  itsplit           1
+ acceleration/energy drift too large   4.16448455849144     
+   10.6196178943318       split increased to            2  itime        3349 
   itsplit           1
- acceleration/energy drift too large   2.88574832735653     
-   12.0930024648248       split increased to            2  itime        3933 
+ acceleration/energy drift too large   4.39526760512046     
+   10.5507928946016       split increased to            2  itime        3435 
   itsplit           1
- acceleration/energy drift too large   5.69660147674269     
-   16.0006167402729       split increased to            2  itime        3995 
+ acceleration/energy drift too large   6.08668404309407     
+   16.5456597681296       split increased to            2  itime        3570 
+  itsplit           1
+ acceleration/energy drift too large   7.53046279853727     
+   22.8919942043917       split increased to            2  itime        3873 
   itsplit           1
 Momenta zeroed out, time              799.80
-Momenta zeroed out, time              999.80
- acceleration/energy drift too large   4.79490886532304     
-   15.3732517518585       split increased to            2  itime        5040 
+ acceleration/energy drift too large   5.47992519504439     
+   33.8739370007026       split increased to            2  itime        4001 
   itsplit           1
- acceleration/energy drift too large   4.23018631425289     
-   11.3604122949253       split increased to            2  itime        5088 
+ acceleration/energy drift too large   7.41839068843641     
+   63.5250268528612       split increased to            2  itime        4618 
   itsplit           1
- acceleration/energy drift too large   5.40047500605456     
-   12.4288876718737       split increased to            2  itime        5478 
+ acceleration/energy drift too large   3.51195971492097     
+   11.9558497070928       split increased to            2  itime        4717 
   itsplit           1
+Momenta zeroed out, time              999.80
 Momenta zeroed out, time             1199.80
- acceleration/energy drift too large   6.75121414614395     
-   57.7312825693413       split increased to            2  itime        6211 
-  itsplit           1
- acceleration/energy drift too large   4.94492043737453     
-   17.2742687082943       split increased to            2  itime        6938 
+ acceleration/energy drift too large   3.54244702992268     
+   17.8895310345384       split increased to            2  itime        6722 
   itsplit           1
 Momenta zeroed out, time             1399.80
-Momenta zeroed out, time             1599.80
- acceleration/energy drift too large   4.62925270921341     
-   12.9091485071034       split increased to            2  itime        8138 
+ acceleration/energy drift too large   5.39286444854217     
+   11.2798381962306       split increased to            2  itime        7001 
+  itsplit           1
+ acceleration/energy drift too large   9.20780749500955     
+   38.3045214691228       split increased to            2  itime        7817 
   itsplit           1
- acceleration/energy drift too large   3.80178865352102     
-   10.5452219726192       split increased to            2  itime        8218 
+ acceleration/energy drift too large   1.83504072266519     
+   10.7771973262702       split increased to            2  itime        7818 
+  itsplit           1
+Momenta zeroed out, time             1599.80
+ acceleration/energy drift too large   4.19907487651555     
+   10.4921282913641       split increased to            2  itime        8564 
   itsplit           1
- acceleration/energy drift too large   4.35109589963696     
-   10.7229193333693       split increased to            2  itime        8945 
+ acceleration/energy drift too large   3.17335580174470     
+   12.6724391091349       split increased to            2  itime        8818 
   itsplit           1
 Momenta zeroed out, time             1799.80
- acceleration/energy drift too large   6.05856721092262     
-   26.9659861142009       split increased to            2  itime        9807 
+ acceleration/energy drift too large   8.06560928263231     
+   33.4149194814094       split increased to            2  itime        9662 
   itsplit           1
 Velocities reset to random values, time             1999.80
 Momenta zeroed out, time             1999.80
- acceleration/energy drift too large   4.60529094432713     
-   32.1728446647537       split increased to            2  itime       10298 
+ acceleration/energy drift too large   4.45157829783514     
+   26.3039781168138       split increased to            2  itime       10676 
+  itsplit           1
+ acceleration/energy drift too large   6.66440292503640     
+   55.1741978675102       split increased to            2  itime       10679 
   itsplit           1
 Momenta zeroed out, time             2199.80
+ acceleration/energy drift too large   8.63089182131861     
+   19.4831430398544       split increased to            2  itime       11171 
+  itsplit           1
 Momenta zeroed out, time             2399.80
+ acceleration/energy drift too large   7.62996220579300     
+   31.4962945846929       split increased to            2  itime       12408 
+  itsplit           1
+ acceleration/energy drift too large   3.63121915043800     
+   11.2571437014552       split increased to            2  itime       12757 
+  itsplit           1
+ acceleration/energy drift too large   4.39118916253273     
+   24.3022253189238       split increased to            2  itime       12840 
+  itsplit           1
+ acceleration/energy drift too large   4.67090015867159     
+   13.0374682889991       split increased to            2  itime       12841 
+  itsplit           1
 Momenta zeroed out, time             2599.80
- acceleration/energy drift too large   10.7570931674381     
-   52.5833567402062       split increased to            2  itime       13158 
+ acceleration/energy drift too large   9.02475570380246     
+   38.0778574993665       split increased to            2  itime       13446 
   itsplit           1
- acceleration/energy drift too large   2.46965495397301     
-   17.0984641546145       split increased to            2  itime       13242 
+ acceleration/energy drift too large   3.41592109942141     
+   14.8650520835764       split increased to            2  itime       13462 
+  itsplit           1
+ acceleration/energy drift too large   2.79963769293716     
+   17.5146731432467       split increased to            2  itime       13854 
   itsplit           1
 Momenta zeroed out, time             2799.80
- acceleration/energy drift too large   4.48485983377293     
-   28.0421650398796       split increased to            2  itime       14514 
+ acceleration/energy drift too large   3.80526935708342     
+   11.0241521308199       split increased to            2  itime       14320 
   itsplit           1
- acceleration/energy drift too large   2.62840226894077     
-   11.2798182647041       split increased to            2  itime       14546 
+ acceleration/energy drift too large   1.90190989712764     
+   10.4185503525657       split increased to            2  itime       14923 
   itsplit           1
 Momenta zeroed out, time             2999.80
- acceleration/energy drift too large   6.64651648582087     
-   13.7783542161807       split increased to            2  itime       15385 
+ acceleration/energy drift too large   5.95429899750987     
+   14.4354332198339       split increased to            2  itime       15420 
   itsplit           1
 Momenta zeroed out, time             3199.80
- acceleration/energy drift too large   2.83661286196146     
-   10.4391609274528       split increased to            2  itime       16159 
-  itsplit           1
- acceleration/energy drift too large   7.65401783188471     
-   51.7153340107813       split increased to            2  itime       16572 
+ acceleration/energy drift too large   8.22836619876476     
+   28.4126762158840       split increased to            2  itime       16420 
   itsplit           1
- acceleration/energy drift too large   3.56711454162518     
-   11.6633619684748       split increased to            2  itime       16605 
+ acceleration/energy drift too large   3.23319767810637     
+   10.6590724022170       split increased to            2  itime       16911 
   itsplit           1
 Momenta zeroed out, time             3399.80
- acceleration/energy drift too large   5.39237401537672     
-   31.0472976236935       split increased to            2  itime       17020 
+ acceleration/energy drift too large   6.56573993705117     
+   15.9881047970542       split increased to            2  itime       17131 
   itsplit           1
- acceleration/energy drift too large   1.20467185828311     
-   10.3426299133930       split increased to            2  itime       17021 
+ acceleration/energy drift too large   4.95718276024963     
+   23.2518822376889       split increased to            2  itime       17866 
+  itsplit           1
+ acceleration/energy drift too large   5.37700476424895     
+   13.8777414853538       split increased to            2  itime       17983 
   itsplit           1
 Momenta zeroed out, time             3599.80
 Momenta zeroed out, time             3799.80
+ acceleration/energy drift too large   2.45252108164935     
+   12.5211803171735       split increased to            2  itime       19620 
+  itsplit           1
+ acceleration/energy drift too large   4.40513193116508     
+   16.7613452971730       split increased to            2  itime       19668 
+  itsplit           1
+ acceleration/energy drift too large   5.64534232156962     
+   27.2927294296311       split increased to            2  itime       19694 
+  itsplit           1
 Velocities reset to random values, time             3999.80
 Momenta zeroed out, time             3999.80
 Momenta zeroed out, time             4199.80
- acceleration/energy drift too large   8.89666371671162     
-   37.3299597844707       split increased to            2  itime       21220 
+ acceleration/energy drift too large   5.94537869690195     
+   23.4484482704843       split increased to            2  itime       21270 
   itsplit           1
- acceleration/energy drift too large   7.07901653665870     
-   27.3011465486358       split increased to            2  itime       21887 
+ acceleration/energy drift too large   6.00143350624456     
+   16.9053054967892       split increased to            2  itime       21495 
   itsplit           1
 Momenta zeroed out, time             4399.80
+ acceleration/energy drift too large   2.74029294169692     
+   16.1445913075707       split increased to            2  itime       22083 
+  itsplit           1
+ acceleration/energy drift too large   4.91312776856005     
+   15.2280350891730       split increased to            2  itime       22470 
+  itsplit           1
+ acceleration/energy drift too large   2.58854011130122     
+   18.0720790025777       split increased to            2  itime       22522 
+  itsplit           1
+ acceleration/energy drift too large   5.50111684860520     
+   12.9776598690394       split increased to            2  itime       22702 
+  itsplit           1
 Momenta zeroed out, time             4599.80
- acceleration/energy drift too large   4.96170420016376     
-   12.2486615111948       split increased to            2  itime       23051 
+ acceleration/energy drift too large   4.75496262497947     
+   13.3329455834328       split increased to            2  itime       23352 
   itsplit           1
 Momenta zeroed out, time             4799.80
-Momenta zeroed out, time             4999.80
- acceleration/energy drift too large   6.00985307294303     
-   13.3051735851965       split increased to            2  itime       25158 
+ acceleration/energy drift too large   2.33654001360006     
+   10.7019364836108       split increased to            2  itime       24469 
   itsplit           1
- acceleration/energy drift too large   4.03435954457613     
-   10.3204128456725       split increased to            2  itime       25634 
+ acceleration/energy drift too large   5.37160662848791     
+   26.6963025963655       split increased to            2  itime       24472 
   itsplit           1
-Momenta zeroed out, time             5199.80
- acceleration/energy drift too large   5.35128395515714     
-   21.3877231361237       split increased to            2  itime       26157 
+ acceleration/energy drift too large   3.09317348267855     
+   14.4709622512176       split increased to            2  itime       24552 
   itsplit           1
-Momenta zeroed out, time             5399.80
- acceleration/energy drift too large   5.40597294188693     
-   26.0431379658383       split increased to            2  itime       27032 
+ acceleration/energy drift too large   5.35321710733798     
+   26.2135597491416       split increased to            2  itime       24927 
+  itsplit           1
+Momenta zeroed out, time             4999.80
+ acceleration/energy drift too large   2.90450039578201     
+   18.8931931353474       split increased to            2  itime       25589 
   itsplit           1
- acceleration/energy drift too large   6.36340528893538     
-   54.7773742238661       split increased to            2  itime       27081 
+ acceleration/energy drift too large   4.72018361929681     
+   10.1828703667912       split increased to            2  itime       25749 
   itsplit           1
- acceleration/energy drift too large   1.65495530783576     
-   15.4784084078462       split increased to            4  itime       27081 
-  itsplit           2
- acceleration/energy drift too large   6.71067402956708     
-   17.5852345014836       split increased to            2  itime       27261 
+Momenta zeroed out, time             5199.80
+ acceleration/energy drift too large   5.26613181106967     
+   17.2322123521876       split increased to            2  itime       26417 
   itsplit           1
- acceleration/energy drift too large   4.48340688787067     
-   20.8646780158779       split increased to            2  itime       27537 
+ acceleration/energy drift too large   4.59023475862377     
+   11.3127602693977       split increased to            2  itime       26615 
   itsplit           1
+Momenta zeroed out, time             5399.80
 Momenta zeroed out, time             5599.80
- acceleration/energy drift too large   7.54347110802616     
-   22.2824776583945       split increased to            2  itime       28324 
-  itsplit           1
 Momenta zeroed out, time             5799.80
- acceleration/energy drift too large   5.99687334535162     
-   32.5921371803632       split increased to            2  itime       29166 
-  itsplit           1
- acceleration/energy drift too large   12.2877560841931     
-   54.2849351801291       split increased to            2  itime       29249 
+ acceleration/energy drift too large   3.05377214923708     
+   15.1447642805079       split increased to            2  itime       29071 
   itsplit           1
- acceleration/energy drift too large   10.5684223988115     
-   50.2537482089801       split increased to            2  itime       29830 
+ acceleration/energy drift too large   1.83790110138989     
+   12.0795347428249       split increased to            2  itime       29601 
   itsplit           1
 Velocities reset to random values, time             5999.80
 Momenta zeroed out, time             5999.80
- acceleration/energy drift too large   3.57945216031231     
-   11.0436177987260       split increased to            2  itime       30376 
+ acceleration/energy drift too large   6.27634120019522     
+   44.1057306307131       split increased to            2  itime       30264 
+  itsplit           1
+ acceleration/energy drift too large   3.48228768841985     
+   11.8656426986899       split increased to            2  itime       30271 
   itsplit           1
 Momenta zeroed out, time             6199.80
- acceleration/energy drift too large   5.25125852840041     
-   20.7664971257283       split increased to            2  itime       31366 
+ acceleration/energy drift too large   8.61386939154338     
+   28.4721898196534       split increased to            2  itime       31998 
   itsplit           1
 Momenta zeroed out, time             6399.80
- acceleration/energy drift too large   7.01893715834835     
-   22.7908786180475       split increased to            2  itime       32164 
-  itsplit           1
- acceleration/energy drift too large   4.39343035096285     
-   18.4444166732268       split increased to            2  itime       32702 
+ acceleration/energy drift too large   5.83441411952146     
+   27.5523776475286       split increased to            2  itime       32009 
   itsplit           1
- acceleration/energy drift too large   4.76348194106535     
-   22.1980907708782       split increased to            2  itime       32789 
+ acceleration/energy drift too large   4.05808405983529     
+   15.2333062477363       split increased to            2  itime       32660 
   itsplit           1
 Momenta zeroed out, time             6599.80
- acceleration/energy drift too large   3.46139885088456     
-   12.2445256253838       split increased to            2  itime       33517 
-  itsplit           1
- acceleration/energy drift too large   4.22781500946543     
-   20.7935142590406       split increased to            2  itime       33530 
-  itsplit           1
- acceleration/energy drift too large   3.76852819273522     
-   16.0440930924026       split increased to            2  itime       33935 
-  itsplit           1
 Momenta zeroed out, time             6799.80
- acceleration/energy drift too large   5.35815945337185     
-   16.7134607320563       split increased to            2  itime       34241 
-  itsplit           1
- acceleration/energy drift too large   2.85684203873680     
-   12.4583727897681       split increased to            2  itime       34607 
+ acceleration/energy drift too large   6.42370837265036     
+   16.9041606601307       split increased to            2  itime       34087 
   itsplit           1
- acceleration/energy drift too large   8.25390942215294     
-   39.0952772794158       split increased to            2  itime       34642 
+ acceleration/energy drift too large   3.73495678991895     
+   19.3586126779498       split increased to            2  itime       34615 
   itsplit           1
 Momenta zeroed out, time             6999.80
- acceleration/energy drift too large   5.06023503017649     
-   22.6502631450779       split increased to            2  itime       35350 
-  itsplit           1
- acceleration/energy drift too large   4.91522516883046     
-   26.1027655388306       split increased to            2  itime       35379 
-  itsplit           1
- acceleration/energy drift too large   5.38378522008925     
-   29.9009128725037       split increased to            2  itime       35669 
+ acceleration/energy drift too large   4.28736545219826     
+   11.3863329424735       split increased to            2  itime       35571 
   itsplit           1
 Momenta zeroed out, time             7199.80
- acceleration/energy drift too large   8.63556172152325     
-   31.1213786471850       split increased to            2  itime       36633 
-  itsplit           1
- acceleration/energy drift too large   6.65235836545192     
-   19.2864565070163       split increased to            2  itime       36997 
+ acceleration/energy drift too large   3.06692469940185     
+   13.6070833978436       split increased to            2  itime       36846 
   itsplit           1
 Momenta zeroed out, time             7399.80
 Momenta zeroed out, time             7599.80
 Momenta zeroed out, time             7799.80
- acceleration/energy drift too large   6.26214161219251     
-   20.1337345530734       split increased to            2  itime       39573 
-  itsplit           1
- acceleration/energy drift too large   6.40655913363152     
-   17.2157622690482       split increased to            2  itime       39624 
-  itsplit           1
- acceleration/energy drift too large   3.87434284428514     
-   10.5677401478657       split increased to            2  itime       39705 
+ acceleration/energy drift too large   3.85244728595349     
+   14.0501076071389       split increased to            2  itime       39247 
   itsplit           1
 Velocities reset to random values, time             7999.80
 Momenta zeroed out, time             7999.80
-Momenta zeroed out, time             8199.80
- acceleration/energy drift too large   4.32813096491416     
-   13.3815501000786       split increased to            2  itime       41039 
+ acceleration/energy drift too large   12.5168049727970     
+   61.8335280625940       split increased to            2  itime       40887 
   itsplit           1
+Momenta zeroed out, time             8199.80
 Momenta zeroed out, time             8399.80
+ acceleration/energy drift too large   3.64585575164380     
+   10.3201143178016       split increased to            2  itime       42417 
+  itsplit           1
+ acceleration/energy drift too large   5.31145102201342     
+   17.3415703892899       split increased to            2  itime       42429 
+  itsplit           1
+ acceleration/energy drift too large   4.98538587624920     
+   13.8687223754066       split increased to            2  itime       42431 
+  itsplit           1
+ acceleration/energy drift too large   6.98107189850152     
+   15.4473366145767       split increased to            2  itime       42532 
+  itsplit           1
 Momenta zeroed out, time             8599.80
- acceleration/energy drift too large   3.53633778125669     
-   14.3971425995306       split increased to            2  itime       43087 
+ acceleration/energy drift too large   4.76244438986464     
+   15.1577004987018       split increased to            2  itime       43003 
+  itsplit           1
+ acceleration/energy drift too large   9.22361482684654     
+   38.8135375264464       split increased to            2  itime       43261 
   itsplit           1
- acceleration/energy drift too large   2.06560175160714     
-   15.4091945317928       split increased to            2  itime       43688 
+ acceleration/energy drift too large   6.76676599548316     
+   27.7036997924449       split increased to            2  itime       43637 
   itsplit           1
- acceleration/energy drift too large   5.42362632330311     
-   14.3797946714285       split increased to            2  itime       43944 
+ acceleration/energy drift too large   2.09436004165414     
+   10.9743280067315       split increased to            2  itime       43749 
   itsplit           1
 Momenta zeroed out, time             8799.80
- acceleration/energy drift too large   5.26141121359863     
-   21.5255812846460       split increased to            2  itime       44393 
+ acceleration/energy drift too large   8.08972994469408     
+   28.7459093033991       split increased to            2  itime       44496 
   itsplit           1
-Momenta zeroed out, time             8999.80
-Momenta zeroed out, time             9199.80
- acceleration/energy drift too large   2.28680861018850     
-   13.9394287967162       split increased to            2  itime       46602 
+ acceleration/energy drift too large   5.94227687396606     
+   38.4229304354483       split increased to            2  itime       44580 
   itsplit           1
-Momenta zeroed out, time             9399.80
- acceleration/energy drift too large   4.55445066074160     
-   26.2038457774135       split increased to            2  itime       47022 
+ acceleration/energy drift too large   6.07694998131686     
+   28.6090227456739       split increased to            2  itime       44718 
+  itsplit           1
+ acceleration/energy drift too large   4.70996076244970     
+   15.2889166420494       split increased to            2  itime       44734 
   itsplit           1
- acceleration/energy drift too large   5.98504435787327     
-   23.8419335016574       split increased to            2  itime       47307 
+ acceleration/energy drift too large   2.70955536886905     
+   11.5053085543661       split increased to            2  itime       44950 
   itsplit           1
- acceleration/energy drift too large   4.12438395089912     
-   23.7169819364707       split increased to            2  itime       47308 
+Momenta zeroed out, time             8999.80
+ acceleration/energy drift too large   3.66796076530377     
+   12.0828735261540       split increased to            2  itime       45599 
+  itsplit           1
+ acceleration/energy drift too large   5.63661359260562     
+   31.3284743216722       split increased to            2  itime       45783 
   itsplit           1
- acceleration/energy drift too large   4.47865605460842     
-   18.9934286709325       split increased to            2  itime       47659 
+ acceleration/energy drift too large   2.75884606629015     
+   10.3595487749449       split increased to            2  itime       45857 
   itsplit           1
+Momenta zeroed out, time             9199.80
+Momenta zeroed out, time             9399.80
 Momenta zeroed out, time             9599.80
+ acceleration/energy drift too large   2.37511494359315     
+   12.8488102167232       split increased to            2  itime       48418 
+  itsplit           1
+ acceleration/energy drift too large   10.6047325933035     
+   55.5854477193121       split increased to            2  itime       48993 
+  itsplit           1
 Momenta zeroed out, time             9799.80
- acceleration/energy drift too large   2.48585301234195     
-   14.2199465695732       split increased to            2  itime       49775 
+ acceleration/energy drift too large   5.07559752269499     
+   23.3329029949807       split increased to            2  itime       49843 
   itsplit           1
 Velocities reset to random values, time             9999.80
 Momenta zeroed out, time             9999.80
+ acceleration/energy drift too large   13.7258429563102     
+   67.8907906797260       split increased to            2  itime       50728 
+  itsplit           1
+ acceleration/energy drift too large   3.17626059236468     
+   14.4428180244246       split increased to            4  itime       50728 
+  itsplit           2
+ acceleration/energy drift too large   4.57702835591272     
+   12.9952116111364       split increased to            2  itime       50805 
+  itsplit           1
+ acceleration/energy drift too large   2.31192907024073     
+   12.3597211683610       split increased to            2  itime       50946 
+  itsplit           1
 Momenta zeroed out, time            10199.80
- acceleration/energy drift too large   4.26168966622713     
-   12.2379494471501       split increased to            2  itime       51987 
+ acceleration/energy drift too large   4.16984628617508     
+   20.2796882174076       split increased to            2  itime       51940 
   itsplit           1
 Momenta zeroed out, time            10399.80
- acceleration/energy drift too large   10.0184430336189     
-   47.6907821565603       split increased to            2  itime       52916 
-  itsplit           1
 Momenta zeroed out, time            10599.80
- acceleration/energy drift too large   5.88562611105881     
-   25.1744515123138       split increased to            2  itime       53294 
+ acceleration/energy drift too large   2.92902599098835     
+   12.8093329731859       split increased to            2  itime       53636 
+  itsplit           1
+ acceleration/energy drift too large   2.47701738717564     
+   15.7396630198185       split increased to            2  itime       53704 
   itsplit           1
 Momenta zeroed out, time            10799.80
 Momenta zeroed out, time            10999.80
- acceleration/energy drift too large   8.87279576740000     
-   24.3497305047650       split increased to            2  itime       55170 
+ acceleration/energy drift too large   4.98034047655063     
+   32.8547737979116       split increased to            2  itime       55032 
   itsplit           1
-Momenta zeroed out, time            11199.80
- acceleration/energy drift too large   3.34546110019681     
-   15.9876103274272       split increased to            2  itime       56569 
+ acceleration/energy drift too large   2.75497504928269     
+   13.7395193826710       split increased to            2  itime       55282 
   itsplit           1
- acceleration/energy drift too large   3.42321963614470     
-   12.2079323639895       split increased to            2  itime       56956 
+Momenta zeroed out, time            11199.80
+ acceleration/energy drift too large   3.35008367381655     
+   13.6840347330178       split increased to            2  itime       56227 
   itsplit           1
 Momenta zeroed out, time            11399.80
 Momenta zeroed out, time            11599.80
- acceleration/energy drift too large   4.53215021649819     
-   20.3691811823586       split increased to            2  itime       58147 
-  itsplit           1
 Momenta zeroed out, time            11799.80
+ acceleration/energy drift too large   3.21658911928363     
+   19.7505311847278       split increased to            2  itime       59040 
+  itsplit           1
 Velocities reset to random values, time            11999.80
 Momenta zeroed out, time            11999.80
- acceleration/energy drift too large   2.61258463540379     
-   12.3937865065650       split increased to            2  itime       60272 
+ acceleration/energy drift too large   5.83443122281592     
+   21.5263771680492       split increased to            2  itime       60288 
   itsplit           1
- acceleration/energy drift too large   12.1796480014887     
-   65.7687035928571       split increased to            2  itime       60614 
+ acceleration/energy drift too large   5.16262065538148     
+   35.8844316787711       split increased to            2  itime       60832 
+  itsplit           1
+ acceleration/energy drift too large   5.51694296437673     
+   18.4843189831911       split increased to            2  itime       60885 
   itsplit           1
 Momenta zeroed out, time            12199.80
- acceleration/energy drift too large   6.78657855548807     
-   26.4013483837138       split increased to            2  itime       61641 
+ acceleration/energy drift too large   4.67188949411882     
+   12.7029739523938       split increased to            2  itime       61336 
   itsplit           1
-Momenta zeroed out, time            12399.80
- acceleration/energy drift too large   3.13913488927006     
-   18.4384881902870       split increased to            2  itime       62061 
+ acceleration/energy drift too large   4.63800792348367     
+   12.6987802469200       split increased to            2  itime       61743 
+  itsplit           1
+ acceleration/energy drift too large   3.56052709449680     
+   11.7936926872926       split increased to            2  itime       61760 
+  itsplit           1
+ acceleration/energy drift too large   6.15865994524156     
+   16.3129134080368       split increased to            2  itime       61823 
   itsplit           1
- acceleration/energy drift too large   5.47259281019584     
-   19.2204394485035       split increased to            2  itime       62174 
+Momenta zeroed out, time            12399.80
+ acceleration/energy drift too large   4.00499599022514     
+   11.5843134924754       split increased to            2  itime       62663 
   itsplit           1
 Momenta zeroed out, time            12599.80
- acceleration/energy drift too large   2.56661179548791     
-   12.4965681810764       split increased to            2  itime       63647 
+ acceleration/energy drift too large   2.56612157683635     
+   10.8776764634602       split increased to            2  itime       63300 
+  itsplit           1
+ acceleration/energy drift too large   6.07384825258712     
+   29.5432933267084       split increased to            2  itime       63918 
   itsplit           1
 Momenta zeroed out, time            12799.80
 Momenta zeroed out, time            12999.80
- acceleration/energy drift too large   6.11235087793311     
-   20.3785889684654       split increased to            2  itime       65043 
+ acceleration/energy drift too large   6.40962398626571     
+   19.3014902807754       split increased to            2  itime       65567 
   itsplit           1
- acceleration/energy drift too large   5.71679454383565     
-   32.4788041507356       split increased to            2  itime       65259 
+ acceleration/energy drift too large   2.23897891476848     
+   18.1602372427450       split increased to            2  itime       65793 
   itsplit           1
 Momenta zeroed out, time            13199.80
- acceleration/energy drift too large   3.36867914513314     
-   29.8504579933383       split increased to            2  itime       66028 
+ acceleration/energy drift too large   4.41463000851833     
+   13.2583352647208       split increased to            2  itime       66411 
   itsplit           1
- acceleration/energy drift too large   3.17943316088844     
-   15.2915287815731       split increased to            2  itime       66725 
-  itsplit           1
- acceleration/energy drift too large   2.66679857070985     
-   16.8410352252618       split increased to            2  itime       66737 
+ acceleration/energy drift too large   5.99859101552937     
+   13.6099283610836       split increased to            2  itime       66830 
   itsplit           1
 Momenta zeroed out, time            13399.80
+ acceleration/energy drift too large   7.89789474044361     
+   24.4662051657554       split increased to            2  itime       67353 
+  itsplit           1
+ acceleration/energy drift too large   5.03665281033760     
+   22.9913839473482       split increased to            2  itime       67529 
+  itsplit           1
+ acceleration/energy drift too large   4.35966083477773     
+   16.8556942624264       split increased to            2  itime       67762 
+  itsplit           1
 Momenta zeroed out, time            13599.80
- acceleration/energy drift too large   3.16171254050208     
-   20.1454544264847       split increased to            2  itime       68695 
+ acceleration/energy drift too large   3.76451505830646     
+   17.6333813121882       split increased to            2  itime       68544 
   itsplit           1
 Momenta zeroed out, time            13799.80
- acceleration/energy drift too large   4.68613575430055     
-   12.4331460124058       split increased to            2  itime       69110 
-  itsplit           1
- acceleration/energy drift too large   6.12293761868173     
-   21.0504403790420       split increased to            2  itime       69902 
+ acceleration/energy drift too large   4.25851351294715     
+   14.6702896402470       split increased to            2  itime       69239 
   itsplit           1
 Velocities reset to random values, time            13999.80
 Momenta zeroed out, time            13999.80
- acceleration/energy drift too large   6.31138865091928     
-   32.7039321582301       split increased to            2  itime       70096 
-  itsplit           1
- acceleration/energy drift too large   5.68233300336028     
-   20.3324120480708       split increased to            2  itime       70609 
-  itsplit           1
- acceleration/energy drift too large   4.85778060526371     
-   28.5904357689678       split increased to            2  itime       70916 
+ acceleration/energy drift too large   4.45055602549058     
+   12.3952208755386       split increased to            2  itime       70899 
   itsplit           1
 Momenta zeroed out, time            14199.80
- acceleration/energy drift too large   8.93194171186201     
-   34.8373692112959       split increased to            2  itime       71222 
-  itsplit           1
- acceleration/energy drift too large   5.94985948266074     
-   50.3938069131849       split increased to            2  itime       71349 
+ acceleration/energy drift too large   4.46172512232372     
+   12.7925534297488       split increased to            2  itime       71755 
   itsplit           1
 Momenta zeroed out, time            14399.80
- acceleration/energy drift too large   7.10555463091736     
-   11.4237476973651       split increased to            2  itime       72028 
-  itsplit           1
- acceleration/energy drift too large   4.02960499183011     
-   19.5205750868250       split increased to            2  itime       72129 
-  itsplit           1
- acceleration/energy drift too large   7.53479459485718     
-   30.5004081994937       split increased to            2  itime       72203 
-  itsplit           1
- acceleration/energy drift too large   2.22916485069589     
-   13.0196247122021       split increased to            2  itime       72365 
-  itsplit           1
 Momenta zeroed out, time            14599.80
- acceleration/energy drift too large   5.09876040728754     
-   13.4721902349289       split increased to            2  itime       73338 
+ acceleration/energy drift too large   2.41862830840827     
+   18.9358168651291       split increased to            2  itime       73293 
+  itsplit           1
+ acceleration/energy drift too large   2.66007098634747     
+   15.4917109001443       split increased to            2  itime       73826 
   itsplit           1
 Momenta zeroed out, time            14799.80
- acceleration/energy drift too large   6.17776094018457     
-   37.2235333850240       split increased to            2  itime       74280 
+ acceleration/energy drift too large   4.72730153204644     
+   18.4667459919432       split increased to            2  itime       74020 
   itsplit           1
- acceleration/energy drift too large   5.00419899371633     
-   35.3837544306331       split increased to            2  itime       74512 
+ acceleration/energy drift too large   2.39664413137006     
+   14.3273117645507       split increased to            2  itime       74338 
   itsplit           1
 Momenta zeroed out, time            14999.80
- acceleration/energy drift too large   6.68306696441757     
-   18.0270117018850       split increased to            2  itime       75633 
+ acceleration/energy drift too large   5.00353058826032     
+   11.8683936050750       split increased to            2  itime       75479 
   itsplit           1
- acceleration/energy drift too large   8.58185949268574     
-   25.4950890880257       split increased to            2  itime       75874 
+ acceleration/energy drift too large   6.66197016385285     
+   37.6113823871071       split increased to            2  itime       75562 
   itsplit           1
 Momenta zeroed out, time            15199.80
- acceleration/energy drift too large   2.30652250141986     
-   10.3615106316952       split increased to            2  itime       76001 
+ acceleration/energy drift too large   5.34454384237965     
+   19.5576796462981       split increased to            2  itime       76263 
+  itsplit           1
+ acceleration/energy drift too large   4.51641610432133     
+   29.1600990722481       split increased to            2  itime       76788 
+  itsplit           1
+ acceleration/energy drift too large   8.63655209634216     
+   18.7646378850036       split increased to            2  itime       76970 
   itsplit           1
 Momenta zeroed out, time            15399.80
-Momenta zeroed out, time            15599.80
- acceleration/energy drift too large   4.20671965489776     
-   26.9530893993781       split increased to            2  itime       78444 
+ acceleration/energy drift too large   4.53849318625630     
+   17.1993230110750       split increased to            2  itime       77285 
   itsplit           1
- acceleration/energy drift too large   6.41245808777877     
-   13.1026189721321       split increased to            2  itime       78447 
+ acceleration/energy drift too large   3.62570244208059     
+   14.2343665315205       split increased to            2  itime       77630 
   itsplit           1
- acceleration/energy drift too large   11.2399469892849     
-   69.4023244403881       split increased to            2  itime       78597 
+ acceleration/energy drift too large   2.84388637840565     
+   16.4555696829830       split increased to            2  itime       77641 
   itsplit           1
- acceleration/energy drift too large   2.20787557502282     
-   12.4920519257612       split increased to            4  itime       78597 
-  itsplit           2
-Momenta zeroed out, time            15799.80
- acceleration/energy drift too large   12.7350256464036     
-   76.2074493644979       split increased to            2  itime       79503 
+ acceleration/energy drift too large   3.48271114097889     
+   18.5083447514336       split increased to            2  itime       77717 
+  itsplit           1
+ acceleration/energy drift too large   4.47293888968337     
+   25.2555994015920       split increased to            2  itime       77862 
+  itsplit           1
+ acceleration/energy drift too large   5.06379296901467     
+   17.3091974254579       split increased to            2  itime       77876 
+  itsplit           1
+Momenta zeroed out, time            15599.80
+ acceleration/energy drift too large   4.18251387365866     
+   27.3724468252798       split increased to            2  itime       78240 
   itsplit           1
+ acceleration/energy drift too large   5.02093268870988     
+   17.9358155966855       split increased to            2  itime       78747 
+  itsplit           1
+Momenta zeroed out, time            15799.80
 Velocities reset to random values, time            15999.80
 Momenta zeroed out, time            15999.80
- acceleration/energy drift too large   2.11164583405270     
-   12.7038831072311       split increased to            2  itime       80332 
-  itsplit           1
- acceleration/energy drift too large   2.22511375099952     
-   10.4039055103718       split increased to            2  itime       80979 
+ acceleration/energy drift too large   8.34426187863438     
+   32.3560811897283       split increased to            2  itime       80950 
   itsplit           1
 Momenta zeroed out, time            16199.80
+ acceleration/energy drift too large   9.56730627103907     
+   45.7822687789026       split increased to            2  itime       81070 
+  itsplit           1
+ acceleration/energy drift too large   10.8139930979340     
+   62.2396776776921       split increased to            2  itime       81121 
+  itsplit           1
 Momenta zeroed out, time            16399.80
+ acceleration/energy drift too large   7.46032855432608     
+   17.8017001100370       split increased to            2  itime       82620 
+  itsplit           1
 Momenta zeroed out, time            16599.80
- acceleration/energy drift too large   4.10308654092407     
-   12.0601406848110       split increased to            2  itime       83942 
+ acceleration/energy drift too large   4.88543260739734     
+   10.8572155124260       split increased to            2  itime       83169 
+  itsplit           1
+ acceleration/energy drift too large   4.23137276942631     
+   10.9403335066902       split increased to            2  itime       83935 
   itsplit           1
 Momenta zeroed out, time            16799.80
- acceleration/energy drift too large   5.12655349876126     
-   11.4799555894108       split increased to            2  itime       84871 
+ acceleration/energy drift too large   4.85112825690980     
+   25.5760417790966       split increased to            2  itime       84071 
   itsplit           1
-Momenta zeroed out, time            16999.80
- acceleration/energy drift too large   7.70381213578809     
-   18.6609364083623       split increased to            2  itime       85169 
+ acceleration/energy drift too large   4.08249732768194     
+   12.6351591601736       split increased to            2  itime       84072 
   itsplit           1
+ acceleration/energy drift too large   6.05224962895547     
+   15.2924060648295       split increased to            2  itime       84617 
+  itsplit           1
+ acceleration/energy drift too large   7.78476307573275     
+   29.8662175695063       split increased to            2  itime       84739 
+  itsplit           1
+ acceleration/energy drift too large   3.18340317388870     
+   20.6585849451764       split increased to            2  itime       84837 
+  itsplit           1
+Momenta zeroed out, time            16999.80
 Momenta zeroed out, time            17199.80
+ acceleration/energy drift too large   5.82088333951169     
+   28.0244308297655       split increased to            2  itime       86039 
+  itsplit           1
+ acceleration/energy drift too large   4.06253779202813     
+   11.5465403298053       split increased to            2  itime       86431 
+  itsplit           1
+ acceleration/energy drift too large   3.71522351176740     
+   10.9568921082902       split increased to            2  itime       86432 
+  itsplit           1
+ acceleration/energy drift too large   2.80119663332834     
+   22.6476950098863       split increased to            2  itime       86872 
+  itsplit           1
 Momenta zeroed out, time            17399.80
- acceleration/energy drift too large   2.14956289335554     
-   10.1788726274818       split increased to            2  itime       87278 
+ acceleration/energy drift too large   7.95700615324778     
+   20.8253077942557       split increased to            2  itime       87015 
   itsplit           1
-Momenta zeroed out, time            17599.80
- acceleration/energy drift too large   3.41900040646118     
-   10.0907457193471       split increased to            2  itime       88857 
+ acceleration/energy drift too large   6.68194350409079     
+   20.9017335918824       split increased to            2  itime       87435 
   itsplit           1
- acceleration/energy drift too large   4.08822017792527     
-   11.2869992349416       split increased to            2  itime       88898 
+ acceleration/energy drift too large   4.44891771455148     
+   22.0374392269125       split increased to            2  itime       87651 
   itsplit           1
-Momenta zeroed out, time            17799.80
- acceleration/energy drift too large   5.97098707985645     
-   19.9440671082954       split increased to            2  itime       89088 
+ acceleration/energy drift too large   3.83688710451913     
+   10.0925873074857       split increased to            2  itime       87695 
+  itsplit           1
+ acceleration/energy drift too large   9.50130133055209     
+   35.1703230498811       split increased to            2  itime       87835 
+  itsplit           1
+Momenta zeroed out, time            17599.80
+ acceleration/energy drift too large   3.67990187120865     
+   10.7323576086921       split increased to            2  itime       88350 
   itsplit           1
- acceleration/energy drift too large   6.10999094128583     
-   13.4667196600036       split increased to            2  itime       89208 
+ acceleration/energy drift too large   2.54365017506849     
+   11.0228742318586       split increased to            2  itime       88720 
   itsplit           1
+Momenta zeroed out, time            17799.80
 Velocities reset to random values, time            17999.80
 Momenta zeroed out, time            17999.80
- acceleration/energy drift too large   12.1409151512234     
-   55.4490811504094       split increased to            2  itime       90971 
+ acceleration/energy drift too large   4.52465384103131     
+   15.2755141584247       split increased to            2  itime       90264 
+  itsplit           1
+ acceleration/energy drift too large   2.18922309979136     
+   10.0744301460685       split increased to            2  itime       90292 
   itsplit           1
- acceleration/energy drift too large   2.82755306650226     
-   11.8776143850152       split increased to            4  itime       90971 
-  itsplit           2
 Momenta zeroed out, time            18199.80
 Momenta zeroed out, time            18399.80
- acceleration/energy drift too large   6.10720687728421     
-   17.3720381192554       split increased to            2  itime       92004 
-  itsplit           1
- acceleration/energy drift too large   2.58317705871602     
-   10.5106584388508       split increased to            2  itime       92811 
+ acceleration/energy drift too large   13.4088318092256     
+   77.2919387012917       split increased to            2  itime       92084 
   itsplit           1
+ acceleration/energy drift too large   3.18870596897947     
+   18.0097049737288       split increased to            4  itime       92084 
+  itsplit           2
 Momenta zeroed out, time            18599.80
+ acceleration/energy drift too large   3.64891851277565     
+   23.9998188979193       split increased to            2  itime       93837 
+  itsplit           1
 Momenta zeroed out, time            18799.80
 Momenta zeroed out, time            18999.80
- acceleration/energy drift too large   5.93369667792128     
-   20.6601020287200       split increased to            2  itime       95933 
+ acceleration/energy drift too large   5.19430747778618     
+   11.5456592995170       split increased to            2  itime       95284 
   itsplit           1
 Momenta zeroed out, time            19199.80
-Momenta zeroed out, time            19399.80
- acceleration/energy drift too large   10.1049078125818     
-   44.7311595407431       split increased to            2  itime       97188 
+ acceleration/energy drift too large   2.95058566337406     
+   10.7535470717517       split increased to            2  itime       96936 
   itsplit           1
- acceleration/energy drift too large   3.09850017874212     
-   17.2562066874055       split increased to            2  itime       97215 
+Momenta zeroed out, time            19399.80
+ acceleration/energy drift too large   6.81661720903325     
+   37.9107104782135       split increased to            2  itime       97910 
   itsplit           1
- acceleration/energy drift too large   2.69840962857938     
-   17.4009845341442       split increased to            2  itime       97388 
+Momenta zeroed out, time            19599.80
+ acceleration/energy drift too large   4.64202409725388     
+   32.1761549422615       split increased to            2  itime       98205 
   itsplit           1
- acceleration/energy drift too large   6.08407249899132     
-   12.7541654982599       split increased to            2  itime       97637 
+ acceleration/energy drift too large   3.56528663596056     
+   16.4425389009456       split increased to            2  itime       98206 
   itsplit           1
-Momenta zeroed out, time            19599.80
- acceleration/energy drift too large   11.5637935258907     
-   61.3203618903444       split increased to            2  itime       98100 
+ acceleration/energy drift too large   4.97400953233985     
+   12.1074535369943       split increased to            2  itime       98622 
   itsplit           1
 Momenta zeroed out, time            19799.80
- acceleration/energy drift too large   6.90127837994005     
-   22.9063327279382       split increased to            2  itime       99443 
+ acceleration/energy drift too large   2.69349966309107     
+   17.0039474498266       split increased to            2  itime       99317 
   itsplit           1
- acceleration/energy drift too large   4.12831603409331     
-   19.8819830953707       split increased to            2  itime       99817 
+ acceleration/energy drift too large   5.72485431952258     
+   14.9870453101872       split increased to            2  itime       99341 
   itsplit           1
 Velocities reset to random values, time            19999.80
 Momenta zeroed out, time            19999.80
- acceleration/energy drift too large   4.07602963159555     
-   10.4296546278115       split increased to            2  itime      100275 
-  itsplit           1
- acceleration/energy drift too large   2.81522210411894     
-   14.9931846624166       split increased to            2  itime      100493 
-  itsplit           1
 Momenta zeroed out, time            20199.80
- acceleration/energy drift too large   3.34431967333352     
-   20.1519878508433       split increased to            2  itime      101196 
-  itsplit           1
- acceleration/energy drift too large   2.35170964052453     
-   14.3472889597856       split increased to            2  itime      101510 
-  itsplit           1
- acceleration/energy drift too large   6.52867267631712     
-   20.8796527893783       split increased to            2  itime      101952 
+ acceleration/energy drift too large   4.69450049767983     
+   10.8512027171923       split increased to            2  itime      101839 
   itsplit           1
 Momenta zeroed out, time            20399.80
- acceleration/energy drift too large   5.13348907359634     
-   21.3435737254274       split increased to            2  itime      102389 
+ acceleration/energy drift too large   4.89694384004542     
+   12.7092541458072       split increased to            2  itime      102734 
   itsplit           1
 Momenta zeroed out, time            20599.80
- acceleration/energy drift too large   4.46806489234649     
-   10.0034238291141       split increased to            2  itime      103469 
+ acceleration/energy drift too large   4.45223977455499     
+   13.9897800576120       split increased to            2  itime      103117 
   itsplit           1
- acceleration/energy drift too large   5.95513960686395     
-   12.5286100132090       split increased to            2  itime      103646 
+ acceleration/energy drift too large   7.90185325209408     
+   22.6184726479979       split increased to            2  itime      103287 
   itsplit           1
- acceleration/energy drift too large   5.29726406376960     
-   30.2813546779441       split increased to            2  itime      103768 
+ acceleration/energy drift too large   4.62832564657473     
+   10.7422123450491       split increased to            2  itime      103389 
   itsplit           1
 Momenta zeroed out, time            20799.80
- acceleration/energy drift too large   4.17747604384529     
-   13.5956509465980       split increased to            2  itime      104199 
-  itsplit           1
 Momenta zeroed out, time            20999.80
- acceleration/energy drift too large   6.43370834503629     
-   19.8386012012581       split increased to            2  itime      105237 
-  itsplit           1
- acceleration/energy drift too large   6.21890789364693     
-   38.0483568176577       split increased to            2  itime      105421 
-  itsplit           1
- acceleration/energy drift too large   2.40167366383751     
-   15.5406247184610       split increased to            2  itime      105775 
-  itsplit           1
- acceleration/energy drift too large   8.30180354252293     
-   29.2780345145886       split increased to            2  itime      105788 
-  itsplit           1
- acceleration/energy drift too large   2.46923426751278     
-   12.3933363948528       split increased to            4  itime      105788 
-  itsplit           1
 Momenta zeroed out, time            21199.80
- acceleration/energy drift too large   3.21152198488319     
-   15.4923813534571       split increased to            2  itime      106172 
+ acceleration/energy drift too large   7.86972506475642     
+   21.3117364031844       split increased to            2  itime      106275 
+  itsplit           1
+ acceleration/energy drift too large   5.56069390928186     
+   17.7947271886705       split increased to            2  itime      106737 
   itsplit           1
 Momenta zeroed out, time            21399.80
- acceleration/energy drift too large   2.78239941182544     
-   13.1472677304445       split increased to            2  itime      107217 
+ acceleration/energy drift too large   4.57621124738289     
+   14.0027328161438       split increased to            2  itime      107195 
   itsplit           1
- acceleration/energy drift too large   9.44426037501605     
-   43.1808896378342       split increased to            2  itime      107938 
+ acceleration/energy drift too large   6.88622152640133     
+   23.2073736499821       split increased to            2  itime      107945 
   itsplit           1
 Momenta zeroed out, time            21599.80
- acceleration/energy drift too large   6.66050606321577     
-   18.8782374128039       split increased to            2  itime      108654 
+ acceleration/energy drift too large   4.20480271981057     
+   14.2911348526118       split increased to            2  itime      108254 
   itsplit           1
- acceleration/energy drift too large   2.46703395415236     
-   14.4420686280748       split increased to            2  itime      108850 
+ acceleration/energy drift too large   4.41222054384844     
+   11.0562232715240       split increased to            2  itime      108751 
   itsplit           1
 Momenta zeroed out, time            21799.80
- acceleration/energy drift too large   7.56289362125660     
-   26.0488057401974       split increased to            2  itime      109722 
-  itsplit           1
 Velocities reset to random values, time            21999.80
 Momenta zeroed out, time            21999.80
- acceleration/energy drift too large   3.60048647569281     
-   16.7481678389217       split increased to            2  itime      110104 
-  itsplit           1
- acceleration/energy drift too large   2.32727653845117     
-   11.4549003907259       split increased to            2  itime      110121 
-  itsplit           1
- acceleration/energy drift too large   23.8232066063110     
-   161.066486295465       split increased to            2  itime      110358 
-  itsplit           1
- acceleration/energy drift too large   3.56348642728959     
-   14.4434329618764       split increased to            4  itime      110358 
+ acceleration/energy drift too large   3.95052384352229     
+   10.9904286289799       split increased to            2  itime      110414 
   itsplit           1
 Momenta zeroed out, time            22199.80
- acceleration/energy drift too large   4.11773973336731     
-   18.5706206307794       split increased to            2  itime      111207 
-  itsplit           1
- acceleration/energy drift too large   3.38524153268669     
-   16.0058423569188       split increased to            2  itime      111370 
+ acceleration/energy drift too large   5.31937410353807     
+   13.4184260234820       split increased to            2  itime      111085 
   itsplit           1
 Momenta zeroed out, time            22399.80
- acceleration/energy drift too large   4.99226595445756     
-   28.9428438031905       split increased to            2  itime      112063 
+ acceleration/energy drift too large   4.32729835859617     
+   10.6651726382460       split increased to            2  itime      112625 
   itsplit           1
- acceleration/energy drift too large   4.94701846554063     
-   15.4562438603814       split increased to            2  itime      112379 
+Momenta zeroed out, time            22599.80
+ acceleration/energy drift too large   4.06862587665351     
+   13.8921263969801       split increased to            2  itime      113680 
   itsplit           1
- acceleration/energy drift too large   5.38418748692090     
-   17.5150483983054       split increased to            2  itime      112959 
+ acceleration/energy drift too large   3.50081284237302     
+   12.7296791877854       split increased to            2  itime      113861 
   itsplit           1
-Momenta zeroed out, time            22599.80
- acceleration/energy drift too large   4.80073249441936     
-   12.7409788525072       split increased to            2  itime      113997 
+ acceleration/energy drift too large   2.54344148612892     
+   16.4510882125728       split increased to            2  itime      113925 
   itsplit           1
 Momenta zeroed out, time            22799.80
- acceleration/energy drift too large   3.44260224879708     
-   13.2588926280048       split increased to            2  itime      114761 
+ acceleration/energy drift too large   7.50935396511380     
+   21.1248158456486       split increased to            2  itime      114285 
   itsplit           1
-Momenta zeroed out, time            22999.80
- acceleration/energy drift too large   2.73984603453271     
-   13.0796989682524       split increased to            2  itime      115416 
+ acceleration/energy drift too large   8.39070454466253     
+   27.7788511359563       split increased to            2  itime      114690 
   itsplit           1
- acceleration/energy drift too large   5.09746023277998     
-   28.3689005770428       split increased to            2  itime      115532 
+ acceleration/energy drift too large   4.44255144054565     
+   13.5047023670865       split increased to            2  itime      114952 
   itsplit           1
- acceleration/energy drift too large   4.58607063990025     
-   20.1075449772896       split increased to            2  itime      115533 
+Momenta zeroed out, time            22999.80
+ acceleration/energy drift too large   8.91125629771950     
+   36.1301366274105       split increased to            2  itime      115651 
   itsplit           1
- acceleration/energy drift too large   4.67926855305305     
-   16.7711602070683       split increased to            2  itime      115636 
+ acceleration/energy drift too large   3.45237222214670     
+   10.7326952565081       split increased to            2  itime      115835 
   itsplit           1
 Momenta zeroed out, time            23199.80
 Momenta zeroed out, time            23399.80
- acceleration/energy drift too large   11.3045612910662     
-   74.7836501663367       split increased to            2  itime      117528 
+ acceleration/energy drift too large   16.0961005633800     
+   123.137579744091       split increased to            2  itime      117315 
   itsplit           1
- acceleration/energy drift too large   2.40683062821860     
-   15.4605055154806       split increased to            4  itime      117528 
-  itsplit           2
-Momenta zeroed out, time            23599.80
- acceleration/energy drift too large   6.79122056119080     
-   18.4128303848429       split increased to            2  itime      118366 
+ acceleration/energy drift too large   3.37915295925570     
+   17.6413079182632       split increased to            4  itime      117315 
   itsplit           1
+Momenta zeroed out, time            23599.80
 Momenta zeroed out, time            23799.80
+ acceleration/energy drift too large   3.79303674674630     
+   17.2740899000327       split increased to            2  itime      119833 
+  itsplit           1
 Velocities reset to random values, time            23999.80
 Momenta zeroed out, time            23999.80
- acceleration/energy drift too large   2.54582514042143     
-   12.2897665590270       split increased to            2  itime      120238 
+ acceleration/energy drift too large   4.90516716742271     
+   13.0037682971531       split increased to            2  itime      120482 
+  itsplit           1
+Momenta zeroed out, time            24199.80
+ acceleration/energy drift too large   2.73315614997989     
+   13.6207513006319       split increased to            2  itime      121004 
   itsplit           1
- acceleration/energy drift too large   3.99165745223302     
-   11.5531599245373       split increased to            2  itime      120243 
+ acceleration/energy drift too large   12.8819602577642     
+   52.5380920421354       split increased to            2  itime      121214 
   itsplit           1
- acceleration/energy drift too large   14.9956851715969     
-   83.2872136611871       split increased to            2  itime      120380 
+ acceleration/energy drift too large   3.47477821979529     
+   16.2923748699555       split increased to            4  itime      121214 
   itsplit           1
- acceleration/energy drift too large   3.66601036775748     
-   19.8979787810892       split increased to            4  itime      120380 
-  itsplit           2
-Momenta zeroed out, time            24199.80
- acceleration/energy drift too large   5.99469349895207     
-   36.2941203593108       split increased to            2  itime      121381 
+ acceleration/energy drift too large   4.20394254031781     
+   11.1861783063199       split increased to            2  itime      121311 
+  itsplit           1
+ acceleration/energy drift too large   4.82596791414712     
+   10.2037046702893       split increased to            2  itime      121395 
   itsplit           1
- acceleration/energy drift too large   4.16857023778813     
-   13.4738969485970       split increased to            2  itime      121444 
+ acceleration/energy drift too large   5.05897606839207     
+   13.4949104432048       split increased to            2  itime      121607 
   itsplit           1
- acceleration/energy drift too large   11.9887382906055     
-   61.9287307829636       split increased to            2  itime      121937 
+ acceleration/energy drift too large   3.31688014370243     
+   13.9486129870543       split increased to            2  itime      121694 
   itsplit           1
 Momenta zeroed out, time            24399.80
- acceleration/energy drift too large   5.62018784279489     
-   10.3058213700565       split increased to            2  itime      122637 
+ acceleration/energy drift too large   4.70408388605921     
+   13.3258219896199       split increased to            2  itime      122226 
   itsplit           1
- acceleration/energy drift too large   4.07490094130644     
-   15.6324301367323       split increased to            2  itime      122745 
+ acceleration/energy drift too large   5.03904799144225     
+   11.0962683760936       split increased to            2  itime      122293 
+  itsplit           1
+ acceleration/energy drift too large   2.42289774388785     
+   11.1030403342300       split increased to            2  itime      122609 
   itsplit           1
 Momenta zeroed out, time            24599.80
- acceleration/energy drift too large   3.83404952672186     
-   10.4620836566494       split increased to            2  itime      123796 
+ acceleration/energy drift too large   2.81057916254257     
+   18.0065544881435       split increased to            2  itime      123168 
   itsplit           1
 Momenta zeroed out, time            24799.80
+ acceleration/energy drift too large   7.59153177183012     
+   23.9506630397549       split increased to            2  itime      124193 
+  itsplit           1
+ acceleration/energy drift too large   2.54136989659172     
+   14.5522734433619       split increased to            2  itime      124382 
+  itsplit           1
 Momenta zeroed out, time            24999.80
- acceleration/energy drift too large   5.82397756741535     
-   14.5030548169751       split increased to            2  itime      125310 
+ acceleration/energy drift too large   5.66988307672853     
+   15.6627334311209       split increased to            2  itime      125203 
   itsplit           1
- acceleration/energy drift too large   2.94576055440352     
-   14.2518141228923       split increased to            2  itime      125636 
+ acceleration/energy drift too large   5.08985624495417     
+   15.8080570493103       split increased to            2  itime      125285 
   itsplit           1
 Momenta zeroed out, time            25199.80
+ acceleration/energy drift too large   6.05562916194348     
+   20.7257406009331       split increased to            2  itime      126285 
+  itsplit           1
 Momenta zeroed out, time            25399.80
+ acceleration/energy drift too large   7.04675063409229     
+   39.0870368323379       split increased to            2  itime      127001 
+  itsplit           1
+ acceleration/energy drift too large   6.01525950863738     
+   14.3906932761678       split increased to            2  itime      127319 
+  itsplit           1
 Momenta zeroed out, time            25599.80
- acceleration/energy drift too large   6.57143859800343     
-   15.4080972872323       split increased to            2  itime      128227 
+ acceleration/energy drift too large   4.39732673247423     
+   25.1100549592741       split increased to            2  itime      128025 
   itsplit           1
- acceleration/energy drift too large   3.20369646499780     
-   13.5767178107917       split increased to            2  itime      128644 
+ acceleration/energy drift too large   13.2349361364762     
+   63.8834389436252       split increased to            2  itime      128591 
+  itsplit           1
+ acceleration/energy drift too large   2.69174993010006     
+   11.6495163534063       split increased to            4  itime      128591 
   itsplit           1
 Momenta zeroed out, time            25799.80
+ acceleration/energy drift too large   6.58856653187946     
+   26.1159587248144       split increased to            2  itime      129214 
+  itsplit           1
+ acceleration/energy drift too large   3.13431625552745     
+   10.4607479788952       split increased to            2  itime      129224 
+  itsplit           1
+ acceleration/energy drift too large   5.43369665382026     
+   13.9844895424448       split increased to            2  itime      129408 
+  itsplit           1
+ acceleration/energy drift too large   6.66886291976995     
+   17.4465449187104       split increased to            2  itime      129699 
+  itsplit           1
 Velocities reset to random values, time            25999.80
 Momenta zeroed out, time            25999.80
 Momenta zeroed out, time            26199.80
- acceleration/energy drift too large   5.43459597404979     
-   14.2837448062952       split increased to            2  itime      131203 
-  itsplit           1
- acceleration/energy drift too large   7.54387425091133     
-   28.2299625170843       split increased to            2  itime      131515 
-  itsplit           1
- acceleration/energy drift too large  2.157726160531515E-002
-   13.8675048373096       split increased to            2  itime      131516 
+ acceleration/energy drift too large   4.64748123849241     
+   12.1647862671586       split increased to            2  itime      131220 
   itsplit           1
 Momenta zeroed out, time            26399.80
 Momenta zeroed out, time            26599.80
- acceleration/energy drift too large   14.4315000451808     
-   103.451829211955       split increased to            2  itime      133725 
-  itsplit           1
- acceleration/energy drift too large   8.92906112672807     
-   24.8112718863091       split increased to            2  itime      133806 
+ acceleration/energy drift too large   2.77459799871227     
+   10.7034295226332       split increased to            2  itime      133534 
   itsplit           1
- acceleration/energy drift too large   5.25046276613645     
-   14.0867918612042       split increased to            2  itime      133854 
+ acceleration/energy drift too large   4.20671410205354     
+   13.6685182926482       split increased to            2  itime      133701 
   itsplit           1
- acceleration/energy drift too large   3.65377409588539     
-   14.1941731786151       split increased to            2  itime      133972 
+ acceleration/energy drift too large   2.22446150246101     
+   15.4864891500179       split increased to            2  itime      133702 
   itsplit           1
 Momenta zeroed out, time            26799.80
- acceleration/energy drift too large   2.54681105234314     
-   12.0082176253332       split increased to            2  itime      134055 
-  itsplit           1
- acceleration/energy drift too large   10.0064914451231     
-   51.8624555348701       split increased to            2  itime      134394 
-  itsplit           1
- acceleration/energy drift too large   3.27471086440832     
-   23.5592571764176       split increased to            2  itime      134832 
-  itsplit           1
 Momenta zeroed out, time            26999.80
- acceleration/energy drift too large   6.16181410883865     
-   15.4311992264301       split increased to            2  itime      135649 
-  itsplit           1
- acceleration/energy drift too large   8.42116858762023     
-   35.7794635624094       split increased to            2  itime      135704 
+ acceleration/energy drift too large   4.61584423523285     
+   13.5999412270583       split increased to            2  itime      135237 
   itsplit           1
 Momenta zeroed out, time            27199.80
- acceleration/energy drift too large   4.02344386147479     
-   20.7263571261171       split increased to            2  itime      136023 
+ acceleration/energy drift too large   8.78387124734210     
+   10.1149894555035       split increased to            2  itime      136571 
+  itsplit           1
+ acceleration/energy drift too large   2.68428582994596     
+   19.2372428772638       split increased to            2  itime      136914 
+  itsplit           1
+ acceleration/energy drift too large   3.64643492166477     
+   15.7444378016725       split increased to            2  itime      136915 
   itsplit           1
 Momenta zeroed out, time            27399.80
- acceleration/energy drift too large   5.90668297981771     
-   33.6754436273777       split increased to            2  itime      137008 
+ acceleration/energy drift too large   10.7618819161174     
+   56.1990744833348       split increased to            2  itime      137033 
   itsplit           1
- acceleration/energy drift too large   4.54742360922268     
-   20.8883773608790       split increased to            2  itime      137209 
+ acceleration/energy drift too large   7.66448645476698     
+   15.9563594712719       split increased to            2  itime      137558 
   itsplit           1
 Momenta zeroed out, time            27599.80
- acceleration/energy drift too large   6.10514206969080     
-   31.1142591771009       split increased to            2  itime      138701 
+ acceleration/energy drift too large   4.41657790561784     
+   24.7644169109248       split increased to            2  itime      138702 
   itsplit           1
- acceleration/energy drift too large   4.99519319565088     
-   21.6134944507130       split increased to            2  itime      138702 
-  itsplit           1
- acceleration/energy drift too large   6.85373405993572     
-   23.1044464961346       split increased to            2  itime      138883 
+ acceleration/energy drift too large   6.56363337458370     
+   28.2892777337221       split increased to            2  itime      138841 
   itsplit           1
 Momenta zeroed out, time            27799.80
- acceleration/energy drift too large   4.21114108466048     
-   18.3863051948086       split increased to            2  itime      139302 
+ acceleration/energy drift too large   7.82449243896807     
+   26.1916550545304       split increased to            2  itime      139387 
+  itsplit           1
+ acceleration/energy drift too large   4.14974828919907     
+   19.8440896495035       split increased to            2  itime      139444 
   itsplit           1
- acceleration/energy drift too large   5.75786189401323     
-   14.8201484515952       split increased to            2  itime      139873 
+ acceleration/energy drift too large   6.90631285336286     
+   50.6826475575100       split increased to            2  itime      139828 
   itsplit           1
 Velocities reset to random values, time            27999.80
 Momenta zeroed out, time            27999.80
- acceleration/energy drift too large   5.57314695584294     
-   12.5289728318285       split increased to            2  itime      140142 
+ acceleration/energy drift too large   5.48003327014847     
+   25.5904438898574       split increased to            2  itime      140489 
   itsplit           1
- acceleration/energy drift too large   2.43720160584915     
-   13.0974664563319       split increased to            2  itime      140143 
+ acceleration/energy drift too large   4.85082461484570     
+   16.1493292351742       split increased to            2  itime      140533 
   itsplit           1
- acceleration/energy drift too large   6.36528368809314     
-   21.6511845025752       split increased to            2  itime      140269 
+ acceleration/energy drift too large   3.99345900432327     
+   21.3786746984440       split increased to            2  itime      140994 
   itsplit           1
 Momenta zeroed out, time            28199.80
- acceleration/energy drift too large   4.05201020569734     
-   13.6443723259940       split increased to            2  itime      141631 
-  itsplit           1
- acceleration/energy drift too large   3.70787174055453     
-   16.0299680506341       split increased to            2  itime      141829 
+ acceleration/energy drift too large   4.06654569601219     
+   10.4260411008848       split increased to            2  itime      141187 
   itsplit           1
 Momenta zeroed out, time            28399.80
- acceleration/energy drift too large   4.27205919214008     
-   10.0167626944826       split increased to            2  itime      142877 
-  itsplit           1
- acceleration/energy drift too large   6.90897822966411     
-   26.4296751200888       split increased to            2  itime      142919 
+ acceleration/energy drift too large   4.40755539831301     
+   12.6953007452508       split increased to            2  itime      142417 
   itsplit           1
 Momenta zeroed out, time            28599.80
- acceleration/energy drift too large   16.4196386552798     
-   96.3041677654949       split increased to            2  itime      143143 
-  itsplit           1
- acceleration/energy drift too large   4.00288937881321     
-   10.1139970640700       split increased to            2  itime      143385 
+Momenta zeroed out, time            28799.80
+ acceleration/energy drift too large   6.40053973414325     
+   11.4720261558103       split increased to            2  itime      144218 
   itsplit           1
- acceleration/energy drift too large   4.35624789626064     
-   10.3900524631408       split increased to            2  itime      143402 
+ acceleration/energy drift too large   1.77108241121747     
+   12.4781376098111       split increased to            2  itime      144612 
   itsplit           1
-Momenta zeroed out, time            28799.80
 Momenta zeroed out, time            28999.80
+ acceleration/energy drift too large   5.70881954805607     
+   38.0515758112629       split increased to            2  itime      145360 
+  itsplit           1
+ acceleration/energy drift too large   4.64567472242944     
+   15.7195036153497       split increased to            2  itime      145834 
+  itsplit           1
 Momenta zeroed out, time            29199.80
-Momenta zeroed out, time            29399.80
- acceleration/energy drift too large   4.50417233655553     
-   10.5749659141557       split increased to            2  itime      147064 
+ acceleration/energy drift too large   3.74110253194465     
+   18.6573961129988       split increased to            2  itime      146617 
   itsplit           1
- acceleration/energy drift too large   7.55691143979338     
-   31.5643540919534       split increased to            2  itime      147285 
+ acceleration/energy drift too large   5.45135620080699     
+   19.8818708027211       split increased to            2  itime      146985 
   itsplit           1
+Momenta zeroed out, time            29399.80
 Momenta zeroed out, time            29599.80
- acceleration/energy drift too large   5.16657263450599     
-   15.6497126047108       split increased to            2  itime      148815 
-  itsplit           1
- acceleration/energy drift too large   6.07331614438081     
-   14.3097555346318       split increased to            2  itime      148856 
+ acceleration/energy drift too large   4.47017458458954     
+   25.6810011756821       split increased to            2  itime      148117 
   itsplit           1
 Momenta zeroed out, time            29799.80
- acceleration/energy drift too large   5.28077657711533     
-   22.1353029779743       split increased to            2  itime      149678 
-  itsplit           1
- acceleration/energy drift too large   6.44459352978095     
-   13.3342617400404       split increased to            2  itime      149986 
-  itsplit           1
 Velocities reset to random values, time            29999.80
 Momenta zeroed out, time            29999.80
 Momenta zeroed out, time            30199.80
- acceleration/energy drift too large   4.42556093802982     
-   18.2747300680792       split increased to            2  itime      151562 
+ acceleration/energy drift too large   7.57795144261562     
+   30.0887066561422       split increased to            2  itime      151516 
   itsplit           1
- acceleration/energy drift too large   9.35394719502049     
-   41.1971363584150       split increased to            2  itime      151915 
-  itsplit           1
- acceleration/energy drift too large   2.12278951404024     
-   10.0402531049675       split increased to            2  itime      151916 
+ acceleration/energy drift too large   10.6210150280561     
+   45.5580815536131       split increased to            2  itime      151690 
   itsplit           1
 Momenta zeroed out, time            30399.80
- acceleration/energy drift too large   5.81044561908799     
-   38.2162685209991       split increased to            2  itime      152804 
-  itsplit           1
- acceleration/energy drift too large   6.49874793899098     
-   15.8051537265148       split increased to            2  itime      152914 
-  itsplit           1
- acceleration/energy drift too large   6.92423644795132     
-   30.4645370216060       split increased to            2  itime      152930 
-  itsplit           1
 Momenta zeroed out, time            30599.80
- acceleration/energy drift too large   6.71858077831213     
-   49.1829722505105       split increased to            2  itime      153801 
+ acceleration/energy drift too large   4.92167315261708     
+   10.2630447521982       split increased to            2  itime      153699 
   itsplit           1
 Momenta zeroed out, time            30799.80
+ acceleration/energy drift too large   5.38472595496608     
+   14.3750970281303       split increased to            2  itime      154459 
+  itsplit           1
 Momenta zeroed out, time            30999.80
- acceleration/energy drift too large   8.00830648734912     
-   58.9332458903159       split increased to            2  itime      155619 
+ acceleration/energy drift too large   2.01082580837613     
+   15.1330045388702       split increased to            2  itime      155048 
   itsplit           1
- acceleration/energy drift too large   3.77754163056045     
-   19.0435342887755       split increased to            2  itime      155972 
+ acceleration/energy drift too large   12.5554264604503     
+   87.2031899409908       split increased to            2  itime      155391 
   itsplit           1
 Momenta zeroed out, time            31199.80
- acceleration/energy drift too large   5.78425974877836     
-   16.2730587511347       split increased to            2  itime      156150 
-  itsplit           1
- acceleration/energy drift too large   4.01289093610122     
-   11.1977317542176       split increased to            2  itime      156249 
+ acceleration/energy drift too large   2.40769631133891     
+   11.2524402134977       split increased to            2  itime      156051 
   itsplit           1
- acceleration/energy drift too large   5.53528845949331     
-   27.9070541766290       split increased to            2  itime      156772 
-  itsplit           1
- acceleration/energy drift too large   3.56771422680121     
-   12.4696201696142       split increased to            2  itime      156910 
+ acceleration/energy drift too large   2.65207543236979     
+   15.3311803642914       split increased to            2  itime      156623 
   itsplit           1
 Momenta zeroed out, time            31399.80
- acceleration/energy drift too large   4.36708651310153     
-   22.9549700455150       split increased to            2  itime      157340 
-  itsplit           1
 Momenta zeroed out, time            31599.80
+ acceleration/energy drift too large   3.32053990695097     
+   10.5894960230809       split increased to            2  itime      158968 
+  itsplit           1
 Momenta zeroed out, time            31799.80
+ acceleration/energy drift too large   6.17334130432289     
+   14.6494358956086       split increased to            2  itime      159616 
+  itsplit           1
 Velocities reset to random values, time            31999.80
 Momenta zeroed out, time            31999.80
 Momenta zeroed out, time            32199.80
- acceleration/energy drift too large   7.23845937916221     
-   16.6903652606407       split increased to            2  itime      161226 
+ acceleration/energy drift too large   7.47724367686216     
+   22.6734819873849       split increased to            2  itime      161093 
+  itsplit           1
+ acceleration/energy drift too large   1.32408134730278     
+   10.4732588082157       split increased to            2  itime      161237 
+  itsplit           1
+ acceleration/energy drift too large   2.94712260149489     
+   19.0180214460683       split increased to            2  itime      161674 
   itsplit           1
 Momenta zeroed out, time            32399.80
- acceleration/energy drift too large   2.39591018006739     
-   10.7269238968260       split increased to            2  itime      162035 
+ acceleration/energy drift too large   4.24359512421478     
+   18.4998426275954       split increased to            2  itime      162510 
   itsplit           1
- acceleration/energy drift too large   6.70200593777565     
-   30.7727083945639       split increased to            2  itime      162135 
+ acceleration/energy drift too large   5.59132151396955     
+   20.2272917203019       split increased to            2  itime      162734 
   itsplit           1
 Momenta zeroed out, time            32599.80
- acceleration/energy drift too large   3.84923493848455     
-   11.0600560474115       split increased to            2  itime      163006 
+ acceleration/energy drift too large   11.6328738347389     
+   63.5925813235583       split increased to            2  itime      163734 
   itsplit           1
 Momenta zeroed out, time            32799.80
- acceleration/energy drift too large   7.58637234145062     
-   23.7126989984365       split increased to            2  itime      164729 
+ acceleration/energy drift too large   5.19837410384868     
+   16.9738577889462       split increased to            2  itime      164684 
   itsplit           1
-Momenta zeroed out, time            32999.80
- acceleration/energy drift too large   2.63650804048129     
-   15.0524427948758       split increased to            2  itime      165846 
+ acceleration/energy drift too large   2.41821853534440     
+   15.0063976671405       split increased to            2  itime      164749 
   itsplit           1
+Momenta zeroed out, time            32999.80
 Momenta zeroed out, time            33199.80
- acceleration/energy drift too large   6.10486243945910     
-   12.1586476946778       split increased to            2  itime      166252 
-  itsplit           1
- acceleration/energy drift too large   6.47373187321083     
-   11.0316459847481       split increased to            2  itime      166471 
-  itsplit           1
- acceleration/energy drift too large   6.93622820541845     
-   22.7333559566747       split increased to            2  itime      166589 
-  itsplit           1
- acceleration/energy drift too large   2.82635525905986     
-   11.3600632357378       split increased to            2  itime      166632 
+ acceleration/energy drift too large   5.24571047473222     
+   18.9537702157661       split increased to            2  itime      166093 
   itsplit           1
 Momenta zeroed out, time            33399.80
- acceleration/energy drift too large   3.69411153987005     
-   14.9183678886827       split increased to            2  itime      167391 
+ acceleration/energy drift too large   2.32679004200565     
+   16.9028645394927       split increased to            2  itime      167378 
   itsplit           1
 Momenta zeroed out, time            33599.80
- acceleration/energy drift too large   2.68819283516897     
-   15.2286112155497       split increased to            2  itime      168737 
+ acceleration/energy drift too large   7.16130818215594     
+   16.1735213132350       split increased to            2  itime      168937 
   itsplit           1
 Momenta zeroed out, time            33799.80
- acceleration/energy drift too large   5.22574360385330     
-   14.4758283838960       split increased to            2  itime      169166 
-  itsplit           1
- acceleration/energy drift too large   5.27121090316179     
-   15.8208674360980       split increased to            2  itime      169549 
-  itsplit           1
- acceleration/energy drift too large   4.72564293686609     
-   15.5097041570745       split increased to            2  itime      169725 
-  itsplit           1
- acceleration/energy drift too large   4.76326703411257     
-   21.9490183275985       split increased to            2  itime      169889 
-  itsplit           1
 Velocities reset to random values, time            33999.80
 Momenta zeroed out, time            33999.80
-Momenta zeroed out, time            34199.80
- acceleration/energy drift too large   4.76217035423867     
-   10.1925742779037       split increased to            2  itime      171248 
+ acceleration/energy drift too large   2.29927184224382     
+   12.5612763864599       split increased to            2  itime      170438 
   itsplit           1
- acceleration/energy drift too large   4.47184042390503     
-   10.9628339523230       split increased to            2  itime      171629 
+ acceleration/energy drift too large   2.39564801409582     
+   10.2586159396369       split increased to            2  itime      170439 
   itsplit           1
- acceleration/energy drift too large   6.99671399225545     
-   24.2805174837386       split increased to            2  itime      171836 
+Momenta zeroed out, time            34199.80
+ acceleration/energy drift too large   6.39116394163925     
+   17.3414798519613       split increased to            2  itime      171879 
+  itsplit           1
+ acceleration/energy drift too large   3.28747649482088     
+   13.0077304870284       split increased to            2  itime      171880 
   itsplit           1
 Momenta zeroed out, time            34399.80
- acceleration/energy drift too large   12.2647935568910     
-   68.3423257361545       split increased to            2  itime      172049 
+ acceleration/energy drift too large   4.78816628550430     
+   31.7618165459362       split increased to            2  itime      172212 
+  itsplit           1
+ acceleration/energy drift too large   4.45214662489601     
+   20.2757352333090       split increased to            2  itime      172383 
+  itsplit           1
+ acceleration/energy drift too large   2.36960183280812     
+   17.9906290904152       split increased to            2  itime      172907 
   itsplit           1
 Momenta zeroed out, time            34599.80
- acceleration/energy drift too large   4.34216120650211     
-   19.6001440805897       split increased to            2  itime      173950 
+ acceleration/energy drift too large   4.84798710000735     
+   16.0685799838214       split increased to            2  itime      173515 
+  itsplit           1
+ acceleration/energy drift too large   10.7838948991172     
+   68.5005703717748       split increased to            2  itime      173672 
+  itsplit           1
+ acceleration/energy drift too large   3.49873575352549     
+   12.3341884680704       split increased to            2  itime      173777 
+  itsplit           1
+ acceleration/energy drift too large   5.86779028812467     
+   12.3805674063852       split increased to            2  itime      173858 
   itsplit           1
 Momenta zeroed out, time            34799.80
- acceleration/energy drift too large   4.34442350836070     
-   13.8929184581489       split increased to            2  itime      174338 
+ acceleration/energy drift too large   6.19890376709037     
+   16.5539503830869       split increased to            2  itime      174239 
+  itsplit           1
+ acceleration/energy drift too large   4.67480229989259     
+   17.9041995129671       split increased to            2  itime      174276 
   itsplit           1
- acceleration/energy drift too large   9.91185697575660     
-   45.0015341009372       split increased to            2  itime      174401 
+ acceleration/energy drift too large   6.11498706586369     
+   16.0026460875478       split increased to            2  itime      174566 
   itsplit           1
 Momenta zeroed out, time            34999.80
- acceleration/energy drift too large   2.17364298132907     
-   10.3286326437513       split increased to            2  itime      175548 
+ acceleration/energy drift too large   6.84432037994471     
+   12.4034679687975       split increased to            2  itime      175015 
+  itsplit           1
+ acceleration/energy drift too large   4.71627010924898     
+   10.9086225737439       split increased to            2  itime      175085 
+  itsplit           1
+ acceleration/energy drift too large   1.76870057763535     
+   10.0639683184167       split increased to            2  itime      175341 
+  itsplit           1
+ acceleration/energy drift too large   11.5115710745475     
+   62.8047456978292       split increased to            2  itime      175356 
   itsplit           1
 Momenta zeroed out, time            35199.80
- acceleration/energy drift too large   6.06723879728366     
-   15.7665395823099       split increased to            2  itime      176355 
+ acceleration/energy drift too large   5.12652128071629     
+   12.6531827995377       split increased to            2  itime      176077 
   itsplit           1
-Momenta zeroed out, time            35399.80
- acceleration/energy drift too large   9.30080431035013     
-   39.8247451246376       split increased to            2  itime      177099 
+ acceleration/energy drift too large   4.87322227470976     
+   11.3981258786773       split increased to            2  itime      176433 
   itsplit           1
- acceleration/energy drift too large   4.36167659869390     
-   20.5361041555779       split increased to            2  itime      177368 
+ acceleration/energy drift too large   5.80500137166772     
+   20.6105407802121       split increased to            2  itime      176481 
   itsplit           1
- acceleration/energy drift too large   5.50712623054394     
-   17.9425569142295       split increased to            2  itime      177710 
+ acceleration/energy drift too large   2.60420428681415     
+   12.3170597783423       split increased to            2  itime      176482 
   itsplit           1
- acceleration/energy drift too large   2.75783896398727     
-   12.8005621291056       split increased to            2  itime      177982 
+Momenta zeroed out, time            35399.80
+ acceleration/energy drift too large   8.40874145849952     
+   35.1960356482275       split increased to            2  itime      177218 
   itsplit           1
-Momenta zeroed out, time            35599.80
- acceleration/energy drift too large   4.64258391642269     
-   16.9944071162784       split increased to            2  itime      178084 
+ acceleration/energy drift too large   3.03793175631503     
+   20.7750496896447       split increased to            2  itime      177736 
   itsplit           1
-Momenta zeroed out, time            35799.80
- acceleration/energy drift too large   12.6534135210203     
-   65.2178412006118       split increased to            2  itime      179245 
+Momenta zeroed out, time            35599.80
+ acceleration/energy drift too large   14.7562733692373     
+   87.0969926618152       split increased to            2  itime      178297 
   itsplit           1
- acceleration/energy drift too large   2.27950445246093     
-   11.7216456109941       split increased to            2  itime      179574 
+ acceleration/energy drift too large   4.68456665090734     
+   11.5361135071839       split increased to            2  itime      178789 
   itsplit           1
- acceleration/energy drift too large   6.92947750434641     
-   16.5585095745653       split increased to            2  itime      179585 
+Momenta zeroed out, time            35799.80
+ acceleration/energy drift too large   5.61469655458669     
+   46.0642666757339       split increased to            2  itime      179523 
   itsplit           1
 Velocities reset to random values, time            35999.80
 Momenta zeroed out, time            35999.80
- acceleration/energy drift too large   7.87186118440994     
-   29.3085569238472       split increased to            2  itime      180282 
-  itsplit           1
 Momenta zeroed out, time            36199.80
- acceleration/energy drift too large   5.09024565325038     
-   27.5394917001429       split increased to            2  itime      181001 
+ acceleration/energy drift too large   6.38483285411722     
+   14.7874222352450       split increased to            2  itime      181184 
   itsplit           1
- acceleration/energy drift too large   4.48625837568966     
-   27.6113885115903       split increased to            2  itime      181103 
+Momenta zeroed out, time            36399.80
+ acceleration/energy drift too large   5.60194894965461     
+   19.8096188893609       split increased to            2  itime      182079 
   itsplit           1
- acceleration/energy drift too large   3.59830202728527     
-   10.9145706102332       split increased to            2  itime      181121 
+Momenta zeroed out, time            36599.80
+ acceleration/energy drift too large   3.64209128717456     
+   11.4482075353465       split increased to            2  itime      183376 
   itsplit           1
- acceleration/energy drift too large   15.8468124294139     
-   96.2982943294224       split increased to            2  itime      181313 
+ acceleration/energy drift too large   12.1195135525749     
+   67.0327488628160       split increased to            2  itime      183424 
   itsplit           1
- acceleration/energy drift too large   3.49809356684356     
-   13.6898095870223       split increased to            2  itime      181407 
+Momenta zeroed out, time            36799.80
+ acceleration/energy drift too large   6.31864801961426     
+   12.3873524632738       split increased to            2  itime      184229 
   itsplit           1
- acceleration/energy drift too large   6.73564400217156     
-   46.9936977933456       split increased to            2  itime      181884 
+ acceleration/energy drift too large   6.06452782701473     
+   40.7588791002450       split increased to            2  itime      184611 
   itsplit           1
-Momenta zeroed out, time            36399.80
- acceleration/energy drift too large   2.98289337090824     
-   14.8622775531189       split increased to            2  itime      182121 
+ acceleration/energy drift too large   8.75842569476313     
+   32.2621931803403       split increased to            2  itime      184744 
   itsplit           1
-Momenta zeroed out, time            36599.80
- acceleration/energy drift too large   4.94958128345915     
-   26.2122080670720       split increased to            2  itime      183434 
+Momenta zeroed out, time            36999.80
+ acceleration/energy drift too large   2.54607280696191     
+   15.7988218005431       split increased to            2  itime      185085 
   itsplit           1
- acceleration/energy drift too large   4.11597221269267     
-   13.4566517636773       split increased to            2  itime      183502 
+ acceleration/energy drift too large   3.98622917865392     
+   20.9744989260612       split increased to            2  itime      185230 
   itsplit           1
-Momenta zeroed out, time            36799.80
- acceleration/energy drift too large   2.41566069591917     
-   11.1336654797886       split increased to            2  itime      184897 
+ acceleration/energy drift too large   5.86016196654469     
+   40.2076764208370       split increased to            2  itime      185509 
   itsplit           1
-Momenta zeroed out, time            36999.80
 Momenta zeroed out, time            37199.80
- acceleration/energy drift too large   11.3913335051639     
-   55.6195802629973       split increased to            2  itime      186244 
+ acceleration/energy drift too large   2.43139715447430     
+   13.4494189959054       split increased to            2  itime      186440 
   itsplit           1
- acceleration/energy drift too large   2.62331936433728     
-   11.8557465593794       split increased to            4  itime      186244 
-  itsplit           2
 Momenta zeroed out, time            37399.80
 Momenta zeroed out, time            37599.80
- acceleration/energy drift too large   4.84409536436389     
-   27.4159481284156       split increased to            2  itime      188459 
+ acceleration/energy drift too large   2.82002380517469     
+   10.4335951991693       split increased to            2  itime      188732 
+  itsplit           1
+ acceleration/energy drift too large   10.6925146111515     
+   48.5996243552744       split increased to            2  itime      188999 
   itsplit           1
 Momenta zeroed out, time            37799.80
+ acceleration/energy drift too large   5.30126744964024     
+   13.6435783942589       split increased to            2  itime      189304 
+  itsplit           1
+ acceleration/energy drift too large   2.55626407465048     
+   13.7385038193572       split increased to            2  itime      189869 
+  itsplit           1
 Velocities reset to random values, time            37999.80
 Momenta zeroed out, time            37999.80
+ acceleration/energy drift too large   11.1750878290467     
+   61.6513118275642       split increased to            2  itime      190170 
+  itsplit           1
+ acceleration/energy drift too large   3.04449955865432     
+   10.8217785979925       split increased to            2  itime      190261 
+  itsplit           1
+ acceleration/energy drift too large   3.61479735993912     
+   18.3881584785695       split increased to            2  itime      190953 
+  itsplit           1
 Momenta zeroed out, time            38199.80
+ acceleration/energy drift too large   6.27368978055888     
+   17.2742230011033       split increased to            2  itime      191924 
+  itsplit           1
 Momenta zeroed out, time            38399.80
- acceleration/energy drift too large   2.63080875382213     
-   14.3051938310207       split increased to            2  itime      192472 
+ acceleration/energy drift too large   3.99756351445824     
+   16.2581967658288       split increased to            2  itime      192140 
   itsplit           1
 Momenta zeroed out, time            38599.80
- acceleration/energy drift too large   5.85245168158156     
-   41.9487732931891       split increased to            2  itime      193053 
+ acceleration/energy drift too large   4.02704921250786     
+   15.8978103664196       split increased to            2  itime      193022 
   itsplit           1
- acceleration/energy drift too large   3.29251378109830     
-   11.3580519857113       split increased to            2  itime      193054 
-  itsplit           1
- acceleration/energy drift too large   3.87122045580061     
-   11.1420745180967       split increased to            2  itime      193782 
+ acceleration/energy drift too large   3.76770762088975     
+   13.8515268260580       split increased to            2  itime      193344 
   itsplit           1
 Momenta zeroed out, time            38799.80
- acceleration/energy drift too large   3.43933590259810     
-   22.8923844963943       split increased to            2  itime      194760 
+ acceleration/energy drift too large   3.63721941255875     
+   11.7519759876785       split increased to            2  itime      194143 
   itsplit           1
-Momenta zeroed out, time            38999.80
- acceleration/energy drift too large   6.03622339046130     
-   40.5101997674089       split increased to            2  itime      195131 
+ acceleration/energy drift too large   5.43348775809930     
+   32.6196934005287       split increased to            2  itime      194251 
   itsplit           1
- acceleration/energy drift too large   4.25809513065261     
-   10.1578236919262       split increased to            2  itime      195374 
+ acceleration/energy drift too large   16.0382963651807     
+   92.0132093679539       split increased to            2  itime      194709 
   itsplit           1
+ acceleration/energy drift too large   2.23302129560046     
+   10.3492103983367       split increased to            4  itime      194709 
+  itsplit           1
+Momenta zeroed out, time            38999.80
 Momenta zeroed out, time            39199.80
- acceleration/energy drift too large   3.52865625566624     
-   12.4020986246449       split increased to            2  itime      196038 
+ acceleration/energy drift too large   4.13170330746437     
+   10.8983356018224       split increased to            2  itime      196460 
   itsplit           1
- acceleration/energy drift too large   4.70854638815730     
-   11.4161943020224       split increased to            2  itime      196082 
+ acceleration/energy drift too large   4.70252566354761     
+   15.1040391861229       split increased to            2  itime      196888 
   itsplit           1
 Momenta zeroed out, time            39399.80
- acceleration/energy drift too large   2.87368740805248     
-   19.4782287711704       split increased to            2  itime      197112 
+ acceleration/energy drift too large   6.01062697527448     
+   28.7199851287714       split increased to            2  itime      197714 
   itsplit           1
- acceleration/energy drift too large   5.27983480572350     
-   15.8815114477953       split increased to            2  itime      197131 
-  itsplit           1
- acceleration/energy drift too large   3.22261250888278     
-   22.4276670504183       split increased to            2  itime      197444 
+ acceleration/energy drift too large   8.28400900084057     
+   26.8997849921859       split increased to            2  itime      197877 
   itsplit           1
 Momenta zeroed out, time            39599.80
- acceleration/energy drift too large   10.1810226148406     
-   44.6976099847423       split increased to            2  itime      198950 
-  itsplit           1
-Momenta zeroed out, time            39799.80
- acceleration/energy drift too large   2.77614479328298     
-   13.2965171660043       split increased to            2  itime      199020 
+ acceleration/energy drift too large   5.11332780220640     
+   29.3031162423319       split increased to            2  itime      198907 
   itsplit           1
- acceleration/energy drift too large   4.76007445938082     
-   30.9551557233983       split increased to            2  itime      199028 
+ acceleration/energy drift too large   2.38679097217429     
+   12.2320109917938       split increased to            2  itime      198986 
   itsplit           1
- acceleration/energy drift too large   4.23101814105091     
-   19.9292541689526       split increased to            2  itime      199409 
+Momenta zeroed out, time            39799.80
+ acceleration/energy drift too large   8.37838441758700     
+   32.7457716427705       split increased to            2  itime      199813 
   itsplit           1
 Velocities reset to random values, time            39999.80
 Momenta zeroed out, time            39999.80
 Momenta zeroed out, time            40199.80
- acceleration/energy drift too large   7.62741655902490     
-   25.4163435894021       split increased to            2  itime      201570 
-  itsplit           1
 Momenta zeroed out, time            40399.80
- acceleration/energy drift too large   4.52503841342326     
-   24.6124037426883       split increased to            2  itime      202251 
+ acceleration/energy drift too large   3.55825715622893     
+   15.0147458497844       split increased to            2  itime      202733 
   itsplit           1
- acceleration/energy drift too large   3.88274208852350     
-   24.6266128988635       split increased to            2  itime      202411 
+ acceleration/energy drift too large   3.16884242743759     
+   11.1784616234121       split increased to            2  itime      202747 
   itsplit           1
- acceleration/energy drift too large   3.79743820501617     
-   16.3133976292132       split increased to            2  itime      202551 
+ acceleration/energy drift too large   6.45570623382662     
+   14.5347616245280       split increased to            2  itime      202773 
   itsplit           1
 Momenta zeroed out, time            40599.80
+ acceleration/energy drift too large   6.49267203585641     
+   11.1292338474806       split increased to            2  itime      203189 
+  itsplit           1
+ acceleration/energy drift too large   2.25790404355152     
+   12.6749172198570       split increased to            2  itime      203227 
+  itsplit           1
+ acceleration/energy drift too large   5.12162465392376     
+   20.0416166349898       split increased to            2  itime      203575 
+  itsplit           1
 Momenta zeroed out, time            40799.80
- acceleration/energy drift too large   5.20121809001346     
-   16.6133619851996       split increased to            2  itime      204320 
+ acceleration/energy drift too large   7.39176730298515     
+   19.8397201065831       split increased to            2  itime      204262 
   itsplit           1
 Momenta zeroed out, time            40999.80
- acceleration/energy drift too large   2.59621992494410     
-   11.0883568861054       split increased to            2  itime      205027 
+ acceleration/energy drift too large   6.65875480256547     
+   18.7999350939248       split increased to            2  itime      205261 
+  itsplit           1
+ acceleration/energy drift too large   13.0305924243851     
+   65.5036457900636       split increased to            2  itime      205336 
+  itsplit           1
+ acceleration/energy drift too large   3.87457745297917     
+   13.6639365354138       split increased to            2  itime      205378 
   itsplit           1
- acceleration/energy drift too large   4.19759149587807     
-   21.4647568297882       split increased to            2  itime      205352 
+ acceleration/energy drift too large   9.96722302203860     
+   49.4426426090835       split increased to            2  itime      205460 
   itsplit           1
 Momenta zeroed out, time            41199.80
- acceleration/energy drift too large   7.48117219257400     
-   34.0436859290770       split increased to            2  itime      206012 
+ acceleration/energy drift too large   2.71774577457297     
+   14.8338034071759       split increased to            2  itime      206082 
+  itsplit           1
+ acceleration/energy drift too large   6.76958727918197     
+   11.9330282464425       split increased to            2  itime      206245 
+  itsplit           1
+ acceleration/energy drift too large   5.65574887082595     
+   30.3978016407551       split increased to            2  itime      206837 
+  itsplit           1
+ acceleration/energy drift too large   5.23676427693484     
+   20.5174180756540       split increased to            2  itime      206948 
+  itsplit           1
+ acceleration/energy drift too large   4.56068041462301     
+   14.2358264701074       split increased to            2  itime      206980 
+  itsplit           1
+ acceleration/energy drift too large   1.37592709218990     
+   10.5497717339989       split increased to            4  itime      206980 
   itsplit           1
 Momenta zeroed out, time            41399.80
+ acceleration/energy drift too large   10.6471871931547     
+   57.8683352965817       split increased to            2  itime      207119 
+  itsplit           1
+ acceleration/energy drift too large   3.19850607596884     
+   12.8261734016217       split increased to            2  itime      207871 
+  itsplit           1
 Momenta zeroed out, time            41599.80
- acceleration/energy drift too large   4.62623893813138     
-   10.0459698710128       split increased to            2  itime      208218 
+ acceleration/energy drift too large   6.36580322616980     
+   24.3359383135593       split increased to            2  itime      208251 
+  itsplit           1
+ acceleration/energy drift too large   5.79893591699707     
+   18.9391668289278       split increased to            2  itime      208445 
   itsplit           1
- acceleration/energy drift too large   4.93737144086522     
-   15.5920950032545       split increased to            2  itime      208766 
+ acceleration/energy drift too large   10.2586783886918     
+   48.5580110979024       split increased to            2  itime      208586 
+  itsplit           1
+ acceleration/energy drift too large   5.27478072556334     
+   12.1515807321961       split increased to            2  itime      208894 
   itsplit           1
 Momenta zeroed out, time            41799.80
- acceleration/energy drift too large   3.36425193731204     
-   14.1789302382326       split increased to            2  itime      209201 
+ acceleration/energy drift too large   7.93340351627017     
+   11.9223275459681       split increased to            2  itime      209950 
   itsplit           1
 Velocities reset to random values, time            41999.80
 Momenta zeroed out, time            41999.80
 Momenta zeroed out, time            42199.80
- acceleration/energy drift too large   3.77205691363407     
-   22.8640266799720       split increased to            2  itime      211877 
-  itsplit           1
- acceleration/energy drift too large   3.25063056853301     
-   10.8197411076988       split increased to            2  itime      211878 
-  itsplit           1
- acceleration/energy drift too large   8.72229218992184     
-   21.6817019278318       split increased to            2  itime      211991 
-  itsplit           1
 Momenta zeroed out, time            42399.80
- acceleration/energy drift too large   2.44857681849421     
-   11.1749582562491       split increased to            2  itime      212345 
+ acceleration/energy drift too large   4.77620847211171     
+   12.9368370159575       split increased to            2  itime      212107 
   itsplit           1
-Momenta zeroed out, time            42599.80
- acceleration/energy drift too large   4.35675184834017     
-   19.1565887042074       split increased to            2  itime      213148 
-  itsplit           1
- acceleration/energy drift too large   4.57874855662434     
-   22.2800973693459       split increased to            2  itime      213267 
-  itsplit           1
- acceleration/energy drift too large   5.36247884625041     
-   11.3172806333893       split increased to            2  itime      213751 
-  itsplit           1
- acceleration/energy drift too large   6.32871530842363     
-   11.7279863093791       split increased to            2  itime      213752 
+ acceleration/energy drift too large   6.86341527162796     
+   15.8291890300943       split increased to            2  itime      212575 
   itsplit           1
+Momenta zeroed out, time            42599.80
 Momenta zeroed out, time            42799.80
- acceleration/energy drift too large   5.49926708549883     
-   13.4009763350718       split increased to            2  itime      214114 
+ acceleration/energy drift too large   3.09440767040740     
+   15.8977910122621       split increased to            2  itime      214735 
   itsplit           1
 Momenta zeroed out, time            42999.80
 Momenta zeroed out, time            43199.80
+ acceleration/energy drift too large   4.47735671892806     
+   10.9480201660319       split increased to            2  itime      216155 
+  itsplit           1
 Momenta zeroed out, time            43399.80
- acceleration/energy drift too large   13.3075348832241     
-   99.2350462353544       split increased to            2  itime      217020 
+ acceleration/energy drift too large   5.15903091030943     
+   23.4497801233517       split increased to            2  itime      217355 
   itsplit           1
- acceleration/energy drift too large   2.25630475645161     
-   12.6781829290045       split increased to            4  itime      217020 
-  itsplit           2
 Momenta zeroed out, time            43599.80
- acceleration/energy drift too large   10.8995909036079     
-   56.3075806559874       split increased to            2  itime      218902 
-  itsplit           1
- acceleration/energy drift too large   6.52452945567379     
-   20.3708316642403       split increased to            2  itime      218974 
+ acceleration/energy drift too large   4.89605314624925     
+   13.4401472458711       split increased to            2  itime      218140 
   itsplit           1
-Momenta zeroed out, time            43799.80
- acceleration/energy drift too large   4.93251697722438     
-   12.4035642112150       split increased to            2  itime      219206 
-  itsplit           1
- acceleration/energy drift too large   8.09013789509194     
-   33.3547555559894       split increased to            2  itime      219751 
+ acceleration/energy drift too large   5.25141011363922     
+   28.4241702173853       split increased to            2  itime      218451 
   itsplit           1
- acceleration/energy drift too large   5.52959184101969     
-   15.5536768049202       split increased to            2  itime      219986 
+ acceleration/energy drift too large   3.31770093863929     
+   10.6184784241058       split increased to            2  itime      218617 
   itsplit           1
+Momenta zeroed out, time            43799.80
 Velocities reset to random values, time            43999.80
 Momenta zeroed out, time            43999.80
- acceleration/energy drift too large   5.80503217189121     
-   16.0301679229583       split increased to            2  itime      220892 
+ acceleration/energy drift too large   5.37944454506665     
+   20.2647120011137       split increased to            2  itime      220224 
+  itsplit           1
+ acceleration/energy drift too large   5.56328580151004     
+   14.2176763326820       split increased to            2  itime      220742 
   itsplit           1
 Momenta zeroed out, time            44199.80
-Momenta zeroed out, time            44399.80
- acceleration/energy drift too large   4.22394105256786     
-   11.1504572361215       split increased to            2  itime      222128 
+ acceleration/energy drift too large   2.71855593133927     
+   18.0382843260821       split increased to            2  itime      221119 
+  itsplit           1
+ acceleration/energy drift too large   4.83203135423595     
+   14.2341968529406       split increased to            2  itime      221377 
   itsplit           1
- acceleration/energy drift too large   4.70241183270541     
-   13.1618469224466       split increased to            2  itime      222507 
+ acceleration/energy drift too large   4.18305975523575     
+   12.4070815257006       split increased to            2  itime      221651 
   itsplit           1
- acceleration/energy drift too large   5.67098749398335     
-   18.2750647288862       split increased to            2  itime      222894 
+ acceleration/energy drift too large   2.62533204413858     
+   15.2750638335524       split increased to            2  itime      221678 
+  itsplit           1
+Momenta zeroed out, time            44399.80
+ acceleration/energy drift too large   4.78610614424110     
+   13.0885004562530       split increased to            2  itime      222783 
   itsplit           1
 Momenta zeroed out, time            44599.80
- acceleration/energy drift too large   2.56036913388845     
-   12.9611329345600       split increased to            2  itime      223271 
+ acceleration/energy drift too large   2.16079811222791     
+   10.3270902991005       split increased to            2  itime      223143 
+  itsplit           1
+ acceleration/energy drift too large   5.95786366266202     
+   27.2860115564756       split increased to            2  itime      223931 
   itsplit           1
 Momenta zeroed out, time            44799.80
- acceleration/energy drift too large   5.42218952003195     
-   21.7285951855936       split increased to            2  itime      224012 
+ acceleration/energy drift too large   2.75293504218695     
+   14.7952549074738       split increased to            2  itime      224136 
+  itsplit           1
+ acceleration/energy drift too large   4.82892184669645     
+   12.4516306531786       split increased to            2  itime      224309 
   itsplit           1
- acceleration/energy drift too large   10.9118969585133     
-   44.8092518874435       split increased to            2  itime      224186 
+ acceleration/energy drift too large   3.79385315620473     
+   19.8489660203244       split increased to            2  itime      224310 
   itsplit           1
- acceleration/energy drift too large   4.53456750228271     
-   10.8362820909243       split increased to            2  itime      224355 
+ acceleration/energy drift too large   4.25763585640959     
+   15.4955007525215       split increased to            2  itime      224699 
   itsplit           1
 Momenta zeroed out, time            44999.80
- acceleration/energy drift too large   18.7666357124415     
-   167.650866610690       split increased to            2  itime      225419 
+ acceleration/energy drift too large   4.28290087073709     
+   14.6750523513739       split increased to            2  itime      225461 
   itsplit           1
- acceleration/energy drift too large   5.90293101516169     
-   14.9359466097763       split increased to            2  itime      225914 
+ acceleration/energy drift too large   5.46019023544151     
+   14.6476495036486       split increased to            2  itime      225880 
   itsplit           1
 Momenta zeroed out, time            45199.80
-Momenta zeroed out, time            45399.80
- acceleration/energy drift too large   12.9719389471707     
-   55.5120567489635       split increased to            2  itime      227919 
+ acceleration/energy drift too large   6.78288900200031     
+   11.7300259346845       split increased to            2  itime      226885 
+  itsplit           1
+ acceleration/energy drift too large   3.94063450911711     
+   11.5896271005270       split increased to            2  itime      226980 
   itsplit           1
- acceleration/energy drift too large   3.30681729135966     
-   24.3784815030577       split increased to            2  itime      227920 
+ acceleration/energy drift too large   3.22250526480721     
+   13.9637982337071       split increased to            2  itime      226981 
   itsplit           1
+Momenta zeroed out, time            45399.80
 Momenta zeroed out, time            45599.80
- acceleration/energy drift too large   19.9573651421528     
-   112.391166391494       split increased to            2  itime      228151 
+ acceleration/energy drift too large   5.21281716349486     
+   25.4881472022668       split increased to            2  itime      228774 
   itsplit           1
 Momenta zeroed out, time            45799.80
- acceleration/energy drift too large   4.46265807889699     
-   10.3674131689137       split increased to            2  itime      229100 
+ acceleration/energy drift too large   18.1807159631980     
+   115.634568314626       split increased to            2  itime      229515 
   itsplit           1
 Velocities reset to random values, time            45999.80
 Momenta zeroed out, time            45999.80
-Momenta zeroed out, time            46199.80
- acceleration/energy drift too large   4.79571567947441     
-   10.5471967538136       split increased to            2  itime      231145 
+ acceleration/energy drift too large   6.24078245982060     
+   32.2524099962507       split increased to            2  itime      230364 
   itsplit           1
- acceleration/energy drift too large   4.51722444470865     
-   19.9493411263793       split increased to            2  itime      231448 
-  itsplit           1
- acceleration/energy drift too large   3.04055997286420     
-   11.8742347967226       split increased to            2  itime      231616 
+ acceleration/energy drift too large   5.08820137501171     
+   26.2343035951017       split increased to            2  itime      230400 
   itsplit           1
+Momenta zeroed out, time            46199.80
 Momenta zeroed out, time            46399.80
- acceleration/energy drift too large   5.36947467950033     
-   16.1501834637462       split increased to            2  itime      232243 
-  itsplit           1
- acceleration/energy drift too large   3.05060029874410     
-   22.6769372797101       split increased to            2  itime      232734 
-  itsplit           1
 Momenta zeroed out, time            46599.80
- acceleration/energy drift too large   4.17886586861917     
-   11.1126969814145       split increased to            2  itime      233392 
+ acceleration/energy drift too large   9.79325463348897     
+   45.1269904434543       split increased to            2  itime      233216 
   itsplit           1
- acceleration/energy drift too large   2.92429370872342     
-   10.5955996496315       split increased to            2  itime      233395 
+ acceleration/energy drift too large   4.74032981199283     
+   23.9579535717288       split increased to            2  itime      233406 
   itsplit           1
 Momenta zeroed out, time            46799.80
- acceleration/energy drift too large   2.85706373430658     
-   14.0758245789759       split increased to            2  itime      234182 
-  itsplit           1
- acceleration/energy drift too large   4.35998962929873     
-   18.4501746195507       split increased to            2  itime      234840 
+ acceleration/energy drift too large   9.33785657321828     
+   21.9242613981974       split increased to            2  itime      234083 
   itsplit           1
 Momenta zeroed out, time            46999.80
+ acceleration/energy drift too large   1.81538058576473     
+   10.5007451882484       split increased to            2  itime      235426 
+  itsplit           1
+ acceleration/energy drift too large   9.79448933399518     
+   44.7903946540857       split increased to            2  itime      235428 
+  itsplit           1
+ acceleration/energy drift too large   5.05152204905645     
+   10.1506711425460       split increased to            2  itime      235586 
+  itsplit           1
 Momenta zeroed out, time            47199.80
+ acceleration/energy drift too large   3.47135278305175     
+   12.0863133040139       split increased to            2  itime      236321 
+  itsplit           1
+ acceleration/energy drift too large   5.81826157813449     
+   13.6597891529389       split increased to            2  itime      236979 
+  itsplit           1
 Momenta zeroed out, time            47399.80
- acceleration/energy drift too large   8.10725007309629     
-   28.2189837860660       split increased to            2  itime      237916 
+ acceleration/energy drift too large   2.67390962391884     
+   12.1687404542693       split increased to            2  itime      237494 
   itsplit           1
 Momenta zeroed out, time            47599.80
 Momenta zeroed out, time            47799.80
- acceleration/energy drift too large   4.79181784218803     
-   10.1970168218079       split increased to            2  itime      239545 
+ acceleration/energy drift too large   5.25094184699599     
+   19.0443755996189       split increased to            2  itime      239642 
   itsplit           1
 Velocities reset to random values, time            47999.80
 Momenta zeroed out, time            47999.80
- acceleration/energy drift too large   6.42042532138955     
-   31.8051383465132       split increased to            2  itime      240060 
-  itsplit           1
- acceleration/energy drift too large   7.38617024901516     
-   31.1696557500989       split increased to            2  itime      240377 
-  itsplit           1
 Momenta zeroed out, time            48199.80
- acceleration/energy drift too large   3.96421366387190     
-   32.5131868754114       split increased to            2  itime      241710 
-  itsplit           1
 Momenta zeroed out, time            48399.80
- acceleration/energy drift too large   7.61538988508172     
-   22.2549401305335       split increased to            2  itime      242736 
+ acceleration/energy drift too large   4.02409988960462     
+   10.9607250090212       split increased to            2  itime      242101 
   itsplit           1
-Momenta zeroed out, time            48599.80
- acceleration/energy drift too large   5.32250023262928     
-   11.3295968897835       split increased to            2  itime      243026 
+ acceleration/energy drift too large   1.47049857859163     
+   10.5849362705577       split increased to            2  itime      242342 
   itsplit           1
- acceleration/energy drift too large   4.73112305778478     
-   10.8647407454535       split increased to            2  itime      243555 
+Momenta zeroed out, time            48599.80
+ acceleration/energy drift too large   3.63631350360860     
+   25.8264959262982       split increased to            2  itime      243211 
   itsplit           1
 Momenta zeroed out, time            48799.80
 Momenta zeroed out, time            48999.80
- acceleration/energy drift too large   2.72499837255420     
-   15.2615640216317       split increased to            2  itime      245673 
+ acceleration/energy drift too large   5.62517865931930     
+   21.0115894439870       split increased to            2  itime      245719 
   itsplit           1
 Momenta zeroed out, time            49199.80
 Momenta zeroed out, time            49399.80
- acceleration/energy drift too large   9.66911483357233     
-   29.2611464195138       split increased to            2  itime      247011 
-  itsplit           1
- acceleration/energy drift too large   10.1451810133223     
-   43.6496593873974       split increased to            2  itime      247940 
-  itsplit           1
 Momenta zeroed out, time            49599.80
- acceleration/energy drift too large   10.4627748054398     
-   34.7769384306622       split increased to            2  itime      248576 
-  itsplit           1
- acceleration/energy drift too large   22.7623781203362     
-   156.893405561557       split increased to            2  itime      248653 
-  itsplit           1
- acceleration/energy drift too large   3.58950931506565     
-   15.7389438735817       split increased to            2  itime      248920 
-  itsplit           1
 Momenta zeroed out, time            49799.80
- acceleration/energy drift too large   2.14934653007033     
-   14.0396672411991       split increased to            2  itime      249638 
+ acceleration/energy drift too large   3.32021333729699     
+   17.1516472759762       split increased to            2  itime      249049 
   itsplit           1
- acceleration/energy drift too large   5.04397097798559     
-   11.2334985592854       split increased to            2  itime      249818 
+ acceleration/energy drift too large   2.97645083806718     
+   11.3390793623184       split increased to            2  itime      249462 
+  itsplit           1
+ acceleration/energy drift too large   6.93106264825555     
+   31.6621572089421       split increased to            2  itime      249824 
   itsplit           1
 Velocities reset to random values, time            49999.80
 Momenta zeroed out, time            49999.80
- acceleration/energy drift too large   5.17752050357271     
-   17.9098839244710       split increased to            2  itime      250513 
+ acceleration/energy drift too large   5.25096646505154     
+   32.8334593977001       split increased to            2  itime      250442 
+  itsplit           1
+ acceleration/energy drift too large   6.56629383593153     
+   42.7337189291245       split increased to            2  itime      250538 
+  itsplit           1
+ acceleration/energy drift too large   11.2638643246733     
+   65.4131140656275       split increased to            2  itime      250565 
   itsplit           1
 Momenta zeroed out, time            50199.80
-Momenta zeroed out, time            50399.80
- acceleration/energy drift too large   3.81461091235893     
-   10.7001543656587       split increased to            2  itime      252002 
+ acceleration/energy drift too large   6.22766604382465     
+   25.3464088414927       split increased to            2  itime      251200 
   itsplit           1
- acceleration/energy drift too large   12.0944690560239     
-   46.9616154654122       split increased to            2  itime      252395 
+ acceleration/energy drift too large   7.22508722586075     
+   61.6960206714405       split increased to            2  itime      251773 
   itsplit           1
- acceleration/energy drift too large   13.1828551598393     
-   84.2725858312848       split increased to            2  itime      252767 
+ acceleration/energy drift too large   2.29501258998649     
+   10.1824593044922       split increased to            2  itime      251829 
   itsplit           1
- acceleration/energy drift too large   4.47996644380525     
-   27.5390986432392       split increased to            2  itime      252976 
+Momenta zeroed out, time            50399.80
+ acceleration/energy drift too large   2.96945498103589     
+   12.6708157541377       split increased to            2  itime      252710 
   itsplit           1
 Momenta zeroed out, time            50599.80
- acceleration/energy drift too large   4.11519843687204     
-   19.5845880602359       split increased to            2  itime      253072 
+ acceleration/energy drift too large   4.84264418981549     
+   14.1118441776506       split increased to            2  itime      253050 
   itsplit           1
- acceleration/energy drift too large   4.92299608260886     
-   27.5061409205546       split increased to            2  itime      253403 
+ acceleration/energy drift too large   4.01076067233881     
+   28.6079185006905       split increased to            2  itime      253231 
   itsplit           1
 Momenta zeroed out, time            50799.80
- acceleration/energy drift too large   5.92976274965243     
-   18.6512089412644       split increased to            2  itime      254347 
+Momenta zeroed out, time            50999.80
+ acceleration/energy drift too large   2.97931947097532     
+   14.1750516943349       split increased to            2  itime      255456 
   itsplit           1
- acceleration/energy drift too large   3.04293022351621     
-   13.2667317068259       split increased to            2  itime      254559 
+ acceleration/energy drift too large   6.02212338899881     
+   20.1726316661754       split increased to            2  itime      255653 
   itsplit           1
- acceleration/energy drift too large   11.8484008823396     
-   69.3056808100978       split increased to            2  itime      254663 
+ acceleration/energy drift too large   6.54171919460557     
+   10.3889509336347       split increased to            2  itime      255934 
   itsplit           1
- acceleration/energy drift too large   3.00797255603381     
-   16.9583601571564       split increased to            4  itime      254663 
-  itsplit           2
-Momenta zeroed out, time            50999.80
 Momenta zeroed out, time            51199.80
- acceleration/energy drift too large   11.1818283234078     
-   73.9214974882621       split increased to            2  itime      256111 
+ acceleration/energy drift too large   6.40411804301353     
+   19.6134495841626       split increased to            2  itime      256019 
+  itsplit           1
+ acceleration/energy drift too large   12.3081732547269     
+   64.6435570125886       split increased to            2  itime      256653 
   itsplit           1
 Momenta zeroed out, time            51399.80
- acceleration/energy drift too large   2.28885003201943     
-   10.0596909049925       split increased to            2  itime      257241 
+ acceleration/energy drift too large   4.69429628596186     
+   25.4837125711682       split increased to            2  itime      257198 
   itsplit           1
- acceleration/energy drift too large   2.86962509051141     
-   10.5136705429334       split increased to            2  itime      257265 
+Momenta zeroed out, time            51599.80
+ acceleration/energy drift too large   4.14936610126585     
+   14.5051326813329       split increased to            2  itime      258008 
   itsplit           1
- acceleration/energy drift too large   4.26673979002946     
-   12.5077633647258       split increased to            2  itime      257852 
+ acceleration/energy drift too large   2.51225471299277     
+   10.5803506159945       split increased to            2  itime      258016 
   itsplit           1
-Momenta zeroed out, time            51599.80
 Momenta zeroed out, time            51799.80
- acceleration/energy drift too large   5.60855901841793     
-   18.8402718729825       split increased to            2  itime      259450 
+ acceleration/energy drift too large   3.74791691207632     
+   30.1966787596385       split increased to            2  itime      259191 
+  itsplit           1
+ acceleration/energy drift too large   2.73821620449098     
+   15.0738646949880       split increased to            2  itime      259302 
   itsplit           1
- acceleration/energy drift too large   3.29811033855557     
-   10.8399064721336       split increased to            2  itime      259495 
+ acceleration/energy drift too large   9.05104779559761     
+   32.2333670267421       split increased to            2  itime      259761 
   itsplit           1
 Velocities reset to random values, time            51999.80
 Momenta zeroed out, time            51999.80
+ acceleration/energy drift too large   5.00887846385810     
+   17.3485999685970       split increased to            2  itime      260763 
+  itsplit           1
 Momenta zeroed out, time            52199.80
- acceleration/energy drift too large   3.05798610268889     
-   12.4356969608517       split increased to            2  itime      261540 
+ acceleration/energy drift too large   2.28269345468479     
+   12.0570925722149       split increased to            2  itime      261488 
   itsplit           1
- acceleration/energy drift too large   3.45511975159287     
-   11.3900481404753       split increased to            2  itime      261966 
+ acceleration/energy drift too large   2.55864789890528     
+   11.0484353456833       split increased to            2  itime      261967 
   itsplit           1
-Momenta zeroed out, time            52399.80
- acceleration/energy drift too large   4.66392623976399     
-   18.9212407800666       split increased to            2  itime      262175 
+ acceleration/energy drift too large   10.3986310468344     
+   40.3445933396777       split increased to            2  itime      261983 
   itsplit           1
+Momenta zeroed out, time            52399.80
 Momenta zeroed out, time            52599.80
- acceleration/energy drift too large   9.94653316792705     
-   50.7888259932232       split increased to            2  itime      263975 
-  itsplit           1
- acceleration/energy drift too large   2.32630744787730     
-   11.3369719429769       split increased to            4  itime      263975 
-  itsplit           2
-Momenta zeroed out, time            52799.80
- acceleration/energy drift too large   10.7079090141755     
-   61.3898075831213       split increased to            2  itime      264143 
+ acceleration/energy drift too large   3.18547330342261     
+   11.5520302261759       split increased to            2  itime      263495 
   itsplit           1
- acceleration/energy drift too large   2.92535697668330     
-   20.2638661114774       split increased to            2  itime      264144 
+ acceleration/energy drift too large   7.00605192504399     
+   51.6899441211187       split increased to            2  itime      263505 
   itsplit           1
- acceleration/energy drift too large   4.06946933820611     
-   20.1027302562355       split increased to            2  itime      264483 
+Momenta zeroed out, time            52799.80
+ acceleration/energy drift too large   11.6659977359121     
+   51.7940601019500       split increased to            2  itime      264249 
   itsplit           1
- acceleration/energy drift too large   1.94396132301400     
-   10.2456927378659       split increased to            2  itime      264609 
+ acceleration/energy drift too large   2.71209383853106     
+   11.7630398911369       split increased to            2  itime      264885 
   itsplit           1
 Momenta zeroed out, time            52999.80
- acceleration/energy drift too large   2.95903879162896     
-   13.7400518011514       split increased to            2  itime      265187 
+ acceleration/energy drift too large   2.44857414853752     
+   12.6752800618908       split increased to            2  itime      265568 
   itsplit           1
 Momenta zeroed out, time            53199.80
- acceleration/energy drift too large   5.95621907537501     
-   14.7823312726746       split increased to            2  itime      266884 
+ acceleration/energy drift too large   5.39649912870032     
+   17.6973822064103       split increased to            2  itime      266978 
   itsplit           1
 Momenta zeroed out, time            53399.80
- acceleration/energy drift too large   3.28125999529464     
-   25.1419802819122       split increased to            2  itime      267661 
-  itsplit           1
- acceleration/energy drift too large   3.36411887221146     
-   11.8020376288320       split increased to            2  itime      267916 
+ acceleration/energy drift too large   2.28026708196449     
+   10.1979267415622       split increased to            2  itime      267880 
   itsplit           1
 Momenta zeroed out, time            53599.80
 Momenta zeroed out, time            53799.80
 Velocities reset to random values, time            53999.80
 Momenta zeroed out, time            53999.80
 Momenta zeroed out, time            54199.80
- acceleration/energy drift too large   6.11666182264244     
-   18.5037707584310       split increased to            2  itime      271328 
+ acceleration/energy drift too large   4.87663024289044     
+   31.8533574311149       split increased to            2  itime      271303 
   itsplit           1
- acceleration/energy drift too large   7.50698804856513     
-   24.7347781720417       split increased to            2  itime      271978 
+ acceleration/energy drift too large   4.84144743844220     
+   16.3243034329147       split increased to            2  itime      271489 
   itsplit           1
 Momenta zeroed out, time            54399.80
- acceleration/energy drift too large   4.29566434208766     
-   10.5922828787652       split increased to            2  itime      272708 
-  itsplit           1
-Momenta zeroed out, time            54599.80
- acceleration/energy drift too large   5.71469171485344     
-   12.8044163539459       split increased to            2  itime      273111 
+ acceleration/energy drift too large   8.47175879359015     
+   75.3902088437800       split increased to            2  itime      272113 
   itsplit           1
- acceleration/energy drift too large   5.99247664497406     
-   15.5098936138122       split increased to            2  itime      273458 
+ acceleration/energy drift too large   1.98042619815504     
+   15.6868430289156       split increased to            4  itime      272113 
+  itsplit           2
+ acceleration/energy drift too large   4.71647228361699     
+   19.6188259807740       split increased to            2  itime      272288 
   itsplit           1
- acceleration/energy drift too large   3.50176618985209     
-   11.1237011820231       split increased to            2  itime      273593 
+Momenta zeroed out, time            54599.80
+ acceleration/energy drift too large   3.83331824640852     
+   12.7674680125290       split increased to            2  itime      273043 
   itsplit           1
 Momenta zeroed out, time            54799.80
- acceleration/energy drift too large   4.29199785411649     
-   22.7929282655774       split increased to            2  itime      274254 
-  itsplit           1
- acceleration/energy drift too large   4.28868692071474     
-   24.8134633495258       split increased to            2  itime      274448 
-  itsplit           1
- acceleration/energy drift too large   8.96586584921917     
-   38.3511021236597       split increased to            2  itime      274646 
+ acceleration/energy drift too large   10.4902313082215     
+   112.991128321861       split increased to            2  itime      274141 
   itsplit           1
- acceleration/energy drift too large  0.353843438499742     
-   11.3699819648410       split increased to            2  itime      274647 
-  itsplit           1
- acceleration/energy drift too large   4.34472334262090     
-   20.3453415086620       split increased to            2  itime      274685 
+ acceleration/energy drift too large   5.33337842047529     
+   21.6516050081614       split increased to            2  itime      274594 
   itsplit           1
 Momenta zeroed out, time            54999.80
- acceleration/energy drift too large   4.05753765767535     
-   11.2850554910791       split increased to            2  itime      275040 
-  itsplit           1
- acceleration/energy drift too large   2.62779382269098     
-   13.0429518049019       split increased to            2  itime      275693 
+ acceleration/energy drift too large   4.31748587209654     
+   27.4763545092378       split increased to            2  itime      275963 
   itsplit           1
 Momenta zeroed out, time            55199.80
- acceleration/energy drift too large   10.8786166612056     
-   43.5818920666851       split increased to            2  itime      276049 
-  itsplit           1
- acceleration/energy drift too large   3.00181392655333     
-   14.6537094352049       split increased to            4  itime      276049 
+ acceleration/energy drift too large   4.71157206962690     
+   25.7358981177182       split increased to            2  itime      276000 
   itsplit           1
 Momenta zeroed out, time            55399.80
- acceleration/energy drift too large   5.73022949856771     
-   14.7779664858618       split increased to            2  itime      277321 
+ acceleration/energy drift too large   9.75646021909132     
+   35.0441246069501       split increased to            2  itime      277681 
   itsplit           1
-Momenta zeroed out, time            55599.80
- acceleration/energy drift too large   5.03889061240920     
-   29.4174253475293       split increased to            2  itime      278027 
+ acceleration/energy drift too large   13.1446092997526     
+   64.6155600890298       split increased to            2  itime      277682 
   itsplit           1
- acceleration/energy drift too large   8.37930896733226     
-   37.3884600391188       split increased to            2  itime      278130 
+ acceleration/energy drift too large   2.68598676194630     
+   10.8684738657175       split increased to            4  itime      277682 
+  itsplit           2
+Momenta zeroed out, time            55599.80
+ acceleration/energy drift too large   4.34489306713085     
+   12.8632498999009       split increased to            2  itime      278356 
   itsplit           1
 Momenta zeroed out, time            55799.80
+ acceleration/energy drift too large   8.00815613477656     
+   22.6430835925976       split increased to            2  itime      279182 
+  itsplit           1
+ acceleration/energy drift too large   3.36206633033235     
+   23.4289624482621       split increased to            2  itime      279403 
+  itsplit           1
 Velocities reset to random values, time            55999.80
 Momenta zeroed out, time            55999.80
- acceleration/energy drift too large   2.54867308425212     
-   12.3990651368785       split increased to            2  itime      280377 
+ acceleration/energy drift too large   4.73598248090004     
+   13.3752068649918       split increased to            2  itime      280102 
+  itsplit           1
+ acceleration/energy drift too large   12.4478500765397     
+   65.0747984659627       split increased to            2  itime      280676 
+  itsplit           1
+ acceleration/energy drift too large   8.42878755150068     
+   33.9677353221362       split increased to            2  itime      280739 
   itsplit           1
 Momenta zeroed out, time            56199.80
-Momenta zeroed out, time            56399.80
- acceleration/energy drift too large   3.23964595498835     
-   11.0848942513090       split increased to            2  itime      282167 
+ acceleration/energy drift too large   3.77627226015146     
+   12.6376300574156       split increased to            2  itime      281103 
+  itsplit           1
+ acceleration/energy drift too large   5.70692864077158     
+   26.4869911335554       split increased to            2  itime      281626 
   itsplit           1
- acceleration/energy drift too large   3.32310263285587     
-   12.8895902229377       split increased to            2  itime      282168 
+ acceleration/energy drift too large   1.92725616722265     
+   10.1670071523425       split increased to            2  itime      281772 
   itsplit           1
- acceleration/energy drift too large   3.08382300639117     
-   11.3329011258322       split increased to            2  itime      282821 
+Momenta zeroed out, time            56399.80
+ acceleration/energy drift too large   5.71382392142783     
+   36.4729721832446       split increased to            2  itime      282471 
   itsplit           1
 Momenta zeroed out, time            56599.80
- acceleration/energy drift too large   2.82211099636691     
-   17.6502303478920       split increased to            2  itime      283075 
+ acceleration/energy drift too large   3.63100646784356     
+   10.9071166119464       split increased to            2  itime      283056 
+  itsplit           1
+ acceleration/energy drift too large   4.66280537729449     
+   13.7890936763075       split increased to            2  itime      283396 
   itsplit           1
 Momenta zeroed out, time            56799.80
- acceleration/energy drift too large   8.88564281362752     
-   39.9563516642719       split increased to            2  itime      284516 
+ acceleration/energy drift too large   5.09499109514453     
+   13.7131420740561       split increased to            2  itime      284198 
+  itsplit           1
+ acceleration/energy drift too large   2.89786378188021     
+   14.9818045607671       split increased to            2  itime      284916 
   itsplit           1
 Momenta zeroed out, time            56999.80
+ acceleration/energy drift too large   3.18511141234963     
+   10.3163534502869       split increased to            2  itime      285098 
+  itsplit           1
+ acceleration/energy drift too large   4.94504396634602     
+   13.0676840775030       split increased to            2  itime      285406 
+  itsplit           1
+ acceleration/energy drift too large   4.97971410576505     
+   23.8144036217504       split increased to            2  itime      285633 
+  itsplit           1
+ acceleration/energy drift too large   3.33809513055672     
+   15.9873453568148       split increased to            2  itime      285826 
+  itsplit           1
 Momenta zeroed out, time            57199.80
 Momenta zeroed out, time            57399.80
- acceleration/energy drift too large   5.92005204835545     
-   21.4615811429645       split increased to            2  itime      287271 
-  itsplit           1
 Momenta zeroed out, time            57599.80
- acceleration/energy drift too large   9.63086437928007     
-   36.7143658868249       split increased to            2  itime      288622 
+ acceleration/energy drift too large   4.78990344819554     
+   19.9164266894671       split increased to            2  itime      288816 
   itsplit           1
 Momenta zeroed out, time            57799.80
- acceleration/energy drift too large   5.18942624050852     
-   19.5742424531959       split increased to            2  itime      289228 
+ acceleration/energy drift too large   7.83285627364094     
+   17.5635222360732       split increased to            2  itime      289416 
   itsplit           1
- acceleration/energy drift too large   5.05057235613192     
-   28.4956523022147       split increased to            2  itime      289429 
-  itsplit           1
- acceleration/energy drift too large   11.5894112251926     
-   46.1749759746251       split increased to            2  itime      289755 
+ acceleration/energy drift too large   7.21411860465025     
+   10.5553539600116       split increased to            2  itime      289904 
   itsplit           1
 Velocities reset to random values, time            57999.80
 Momenta zeroed out, time            57999.80
- acceleration/energy drift too large   6.64978768621548     
-   29.5956506936100       split increased to            2  itime      290113 
-  itsplit           1
- acceleration/energy drift too large   5.35561250728116     
-   26.1793433193307       split increased to            2  itime      290825 
+ acceleration/energy drift too large   3.68454982033426     
+   27.8430508283901       split increased to            2  itime      290580 
   itsplit           1
 Momenta zeroed out, time            58199.80
 Momenta zeroed out, time            58399.80
- acceleration/energy drift too large   2.67289588475819     
-   13.4696298503216       split increased to            2  itime      292032 
-  itsplit           1
- acceleration/energy drift too large   9.43147247931350     
-   37.0159088742109       split increased to            2  itime      292871 
+ acceleration/energy drift too large   5.72665014693662     
+   17.3789340942210       split increased to            2  itime      292343 
   itsplit           1
 Momenta zeroed out, time            58599.80
- acceleration/energy drift too large   5.74433814043723     
-   15.1048224282551       split increased to            2  itime      293052 
-  itsplit           1
- acceleration/energy drift too large   5.56812678522420     
-   21.4336055582630       split increased to            2  itime      293550 
-  itsplit           1
 Momenta zeroed out, time            58799.80
- acceleration/energy drift too large   3.78311895445858     
-   13.6848281087332       split increased to            2  itime      294151 
+ acceleration/energy drift too large   3.26375243408886     
+   12.3123991359665       split increased to            2  itime      294282 
   itsplit           1
- acceleration/energy drift too large   5.94358266876497     
-   28.6042913345719       split increased to            2  itime      294626 
+ acceleration/energy drift too large   9.11358521808474     
+   53.0175674655142       split increased to            2  itime      294962 
   itsplit           1
 Momenta zeroed out, time            58999.80
- acceleration/energy drift too large   3.05238458857579     
-   12.2266273330826       split increased to            2  itime      295042 
-  itsplit           1
 Momenta zeroed out, time            59199.80
-Momenta zeroed out, time            59399.80
- acceleration/energy drift too large   3.92558834014781     
-   17.5621061232049       split increased to            2  itime      297234 
+ acceleration/energy drift too large   5.68387411439498     
+   14.5927987360166       split increased to            2  itime      296030 
   itsplit           1
+Momenta zeroed out, time            59399.80
 Momenta zeroed out, time            59599.80
 Momenta zeroed out, time            59799.80
- acceleration/energy drift too large   6.38825334274902     
-   43.7072286679121       split increased to            2  itime      299807 
-  itsplit           1
 Velocities reset to random values, time            59999.80
 Momenta zeroed out, time            59999.80
- acceleration/energy drift too large   6.35749580819982     
-   21.0614147017644       split increased to            2  itime      300456 
-  itsplit           1
- acceleration/energy drift too large   4.39188139628842     
-   10.5724434871926       split increased to            2  itime      300970 
+ acceleration/energy drift too large   4.83036481482346     
+   25.3716889659399       split increased to            2  itime      300980 
   itsplit           1
 Momenta zeroed out, time            60199.80
- acceleration/energy drift too large   5.42751636321964     
-   17.0252111336135       split increased to            2  itime      301324 
+ acceleration/energy drift too large   3.99639657927175     
+   10.8161491666906       split increased to            2  itime      301445 
+  itsplit           1
+ acceleration/energy drift too large   3.36777245904700     
+   17.2812186071262       split increased to            2  itime      301501 
   itsplit           1
 Momenta zeroed out, time            60399.80
- acceleration/energy drift too large   4.35838682237656     
-   11.6900754527880       split increased to            2  itime      302192 
+ acceleration/energy drift too large   5.63919903333723     
+   19.3411926040776       split increased to            2  itime      302867 
   itsplit           1
 Momenta zeroed out, time            60599.80
- acceleration/energy drift too large   2.00837274153176     
-   12.8752801695296       split increased to            2  itime      303087 
+ acceleration/energy drift too large   4.42166685127161     
+   18.7897271161140       split increased to            2  itime      303116 
   itsplit           1
- acceleration/energy drift too large   6.61718471378079     
-   17.3099137294181       split increased to            2  itime      303441 
+ acceleration/energy drift too large   4.41546496688228     
+   12.5469334272161       split increased to            2  itime      303117 
   itsplit           1
 Momenta zeroed out, time            60799.80
-Momenta zeroed out, time            60999.80
- acceleration/energy drift too large   12.1627365985577     
-   59.3374236411302       split increased to            2  itime      305220 
+ acceleration/energy drift too large   11.6009820558736     
+   51.4333682897518       split increased to            2  itime      304859 
   itsplit           1
+Momenta zeroed out, time            60999.80
 Momenta zeroed out, time            61199.80
- acceleration/energy drift too large   4.58763932017677     
-   18.7688508325689       split increased to            2  itime      306621 
-  itsplit           1
- acceleration/energy drift too large   7.23284203837566     
-   50.5228227386465       split increased to            2  itime      306822 
-  itsplit           1
- acceleration/energy drift too large   4.11247997355134     
-   19.1856411454987       split increased to            2  itime      306829 
+ acceleration/energy drift too large   6.69644105835324     
+   12.9278719386519       split increased to            2  itime      306364 
   itsplit           1
 Momenta zeroed out, time            61399.80
- acceleration/energy drift too large   5.88762220163927     
-   20.5537585091689       split increased to            2  itime      307465 
+ acceleration/energy drift too large   4.75239819883238     
+   12.9741161717849       split increased to            2  itime      307575 
+  itsplit           1
+ acceleration/energy drift too large   3.23867951146793     
+   18.0641430048593       split increased to            2  itime      307878 
   itsplit           1
 Momenta zeroed out, time            61599.80
-Momenta zeroed out, time            61799.80
- acceleration/energy drift too large   4.83027901767897     
-   24.6230303135887       split increased to            2  itime      309631 
+ acceleration/energy drift too large   7.92867229865551     
+   46.7715835241629       split increased to            2  itime      308004 
   itsplit           1
- acceleration/energy drift too large   4.98816473885811     
-   10.3557379614162       split increased to            2  itime      309734 
+Momenta zeroed out, time            61799.80
+ acceleration/energy drift too large   3.57478842170160     
+   10.6786811517888       split increased to            2  itime      309746 
   itsplit           1
 Velocities reset to random values, time            61999.80
 Momenta zeroed out, time            61999.80
- acceleration/energy drift too large   4.83557512692368     
-   19.3149517354254       split increased to            2  itime      310354 
-  itsplit           1
 Momenta zeroed out, time            62199.80
+ acceleration/energy drift too large   7.86332509585890     
+   25.4483791660727       split increased to            2  itime      311259 
+  itsplit           1
 Momenta zeroed out, time            62399.80
 Momenta zeroed out, time            62599.80
- acceleration/energy drift too large   4.81341811726039     
-   17.6002000989070       split increased to            2  itime      313038 
+ acceleration/energy drift too large   3.86911985227731     
+   17.7104516132172       split increased to            2  itime      313025 
   itsplit           1
- acceleration/energy drift too large   10.8794586308488     
-   55.8860755721471       split increased to            2  itime      313261 
+ acceleration/energy drift too large   10.1679657064397     
+   42.2117952603653       split increased to            2  itime      313271 
+  itsplit           1
+ acceleration/energy drift too large   12.7896201451139     
+   74.3493026698730       split increased to            2  itime      313289 
   itsplit           1
 Momenta zeroed out, time            62799.80
- acceleration/energy drift too large   3.59431032834485     
-   12.3614433620059       split increased to            2  itime      314744 
+ acceleration/energy drift too large   2.52108488596918     
+   14.7456487353592       split increased to            2  itime      314586 
   itsplit           1
-Momenta zeroed out, time            62999.80
-Momenta zeroed out, time            63199.80
- acceleration/energy drift too large   3.42683026035737     
-   10.0277780885968       split increased to            2  itime      316412 
+ acceleration/energy drift too large   3.40999585763206     
+   10.6984907887543       split increased to            2  itime      314756 
   itsplit           1
- acceleration/energy drift too large   4.10094821233602     
-   10.1458668485881       split increased to            2  itime      316656 
+Momenta zeroed out, time            62999.80
+ acceleration/energy drift too large   6.95343122276858     
+   10.1076040283972       split increased to            2  itime      315353 
   itsplit           1
-Momenta zeroed out, time            63399.80
- acceleration/energy drift too large   4.11111281937548     
-   15.6261358371773       split increased to            2  itime      317376 
+ acceleration/energy drift too large   2.78108222408641     
+   16.8551018438737       split increased to            2  itime      315380 
   itsplit           1
- acceleration/energy drift too large   1.94938998846844     
-   11.2456726321757       split increased to            2  itime      317906 
+ acceleration/energy drift too large   5.37498686508104     
+   12.9960227519355       split increased to            2  itime      315544 
   itsplit           1
+Momenta zeroed out, time            63199.80
+Momenta zeroed out, time            63399.80
 Momenta zeroed out, time            63599.80
- acceleration/energy drift too large   3.78492858702830     
-   11.0382984523878       split increased to            2  itime      318192 
-  itsplit           1
 Momenta zeroed out, time            63799.80
- acceleration/energy drift too large   6.10550267717221     
-   13.9696741065618       split increased to            2  itime      319325 
-  itsplit           1
 Velocities reset to random values, time            63999.80
 Momenta zeroed out, time            63999.80
- acceleration/energy drift too large   6.53946257578652     
-   12.9208737168427       split increased to            2  itime      320075 
+ acceleration/energy drift too large   4.20896922163301     
+   20.7609066645313       split increased to            2  itime      320243 
   itsplit           1
- acceleration/energy drift too large   5.90528690477509     
-   13.5713749839986       split increased to            2  itime      320570 
+ acceleration/energy drift too large   2.34946035725511     
+   13.2122413961270       split increased to            2  itime      320875 
   itsplit           1
 Momenta zeroed out, time            64199.80
- acceleration/energy drift too large   3.90004655928831     
-   11.3451026912235       split increased to            2  itime      321389 
-  itsplit           1
- acceleration/energy drift too large   5.36814526066160     
-   10.5868512603797       split increased to            2  itime      321798 
-  itsplit           1
- acceleration/energy drift too large   3.71004751531526     
-   19.2002754186548       split increased to            2  itime      321921 
-  itsplit           1
 Momenta zeroed out, time            64399.80
- acceleration/energy drift too large   7.18891468861668     
-   22.1829419228816       split increased to            2  itime      322037 
+ acceleration/energy drift too large   3.10738213498636     
+   20.9165032868515       split increased to            2  itime      322156 
   itsplit           1
 Momenta zeroed out, time            64599.80
- acceleration/energy drift too large   5.63608863677387     
-   10.3367038708105       split increased to            2  itime      323893 
-  itsplit           1
- acceleration/energy drift too large   1.24422835022306     
-   11.6043702070154       split increased to            2  itime      323967 
+ acceleration/energy drift too large   8.33822757173864     
+   35.9086928588018       split increased to            2  itime      323414 
   itsplit           1
 Momenta zeroed out, time            64799.80
- acceleration/energy drift too large   2.23348782543983     
-   10.2474803609947       split increased to            2  itime      324074 
+ acceleration/energy drift too large   5.77711136957232     
+   19.2484687125294       split increased to            2  itime      324317 
   itsplit           1
- acceleration/energy drift too large   3.46457236451140     
-   12.1619762285294       split increased to            2  itime      324441 
+ acceleration/energy drift too large   1.96975635204592     
+   10.3803479832951       split increased to            2  itime      324349 
   itsplit           1
 Momenta zeroed out, time            64999.80
- acceleration/energy drift too large   5.04370532980088     
-   15.1652250155027       split increased to            2  itime      325010 
+ acceleration/energy drift too large   12.2278565965791     
+   56.2648675656298       split increased to            2  itime      325018 
   itsplit           1
 Momenta zeroed out, time            65199.80
- acceleration/energy drift too large   15.6415064521731     
-   76.6444524698535       split increased to            2  itime      326430 
-  itsplit           1
-Momenta zeroed out, time            65399.80
- acceleration/energy drift too large   2.28368639076250     
-   10.3728162187096       split increased to            2  itime      327100 
+ acceleration/energy drift too large   7.14284847476788     
+   11.1026814787920       split increased to            2  itime      326353 
   itsplit           1
- acceleration/energy drift too large   4.77267483894733     
-   11.8483352067233       split increased to            2  itime      327166 
+ acceleration/energy drift too large   5.19381325613526     
+   17.2704387047395       split increased to            2  itime      326752 
   itsplit           1
- acceleration/energy drift too large   6.87938086393004     
-   23.0358398554207       split increased to            2  itime      327641 
+ acceleration/energy drift too large   3.60967660264812     
+   11.3182058481087       split increased to            2  itime      326992 
   itsplit           1
- acceleration/energy drift too large   4.86736240775017     
-   19.2968251488711       split increased to            2  itime      327695 
+Momenta zeroed out, time            65399.80
+ acceleration/energy drift too large   5.52836421666541     
+   31.2336386401074       split increased to            2  itime      327536 
   itsplit           1
 Momenta zeroed out, time            65599.80
- acceleration/energy drift too large   5.15657839897105     
-   25.5356953195185       split increased to            2  itime      328005 
+ acceleration/energy drift too large   8.15721131411519     
+   13.6155050415083       split increased to            2  itime      328089 
   itsplit           1
- acceleration/energy drift too large   3.55626556289780     
-   17.2874912384182       split increased to            2  itime      328008 
-  itsplit           1
- acceleration/energy drift too large   1.30277086889810     
-   10.5915774710992       split increased to            2  itime      328970 
+ acceleration/energy drift too large   3.93784598964466     
+   21.4013704091308       split increased to            2  itime      328808 
   itsplit           1
 Momenta zeroed out, time            65799.80
- acceleration/energy drift too large   6.29964811464055     
-   54.0923161791786       split increased to            2  itime      329205 
-  itsplit           1
- acceleration/energy drift too large   4.37785563261213     
-   11.5823953643452       split increased to            2  itime      329774 
+ acceleration/energy drift too large   5.19039649410674     
+   20.9259402474479       split increased to            2  itime      329346 
   itsplit           1
 Velocities reset to random values, time            65999.80
 Momenta zeroed out, time            65999.80
- acceleration/energy drift too large   10.9252298207871     
-   64.7680845674310       split increased to            2  itime      330532 
-  itsplit           1
- acceleration/energy drift too large   5.90273958119721     
-   10.5286466219976       split increased to            2  itime      330574 
+ acceleration/energy drift too large   6.58181919323575     
+   21.3266911659035       split increased to            2  itime      330507 
   itsplit           1
 Momenta zeroed out, time            66199.80
- acceleration/energy drift too large   8.88958434345352     
-   91.0037804482848       split increased to            2  itime      331205 
-  itsplit           1
- acceleration/energy drift too large   1.74339450507547     
-   13.5221623092329       split increased to            4  itime      331205 
-  itsplit           1
- acceleration/energy drift too large   4.04030445321603     
-   15.9118941556641       split increased to            2  itime      331307 
-  itsplit           1
- acceleration/energy drift too large   6.31304662847172     
-   26.5793936368635       split increased to            2  itime      331838 
-  itsplit           1
- acceleration/energy drift too large   11.3633715640128     
-   43.1904731199009       split increased to            2  itime      331916 
+ acceleration/energy drift too large   2.54633716412328     
+   10.7129888991766       split increased to            2  itime      331655 
   itsplit           1
 Momenta zeroed out, time            66399.80
- acceleration/energy drift too large   6.30040760965242     
-   18.0893954311784       split increased to            2  itime      332092 
-  itsplit           1
- acceleration/energy drift too large   4.62434536608630     
-   18.4840889890793       split increased to            2  itime      332507 
-  itsplit           1
- acceleration/energy drift too large   1.64552053526609     
-   10.0834019875206       split increased to            2  itime      332787 
+ acceleration/energy drift too large   5.46423953611157     
+   15.9338481647675       split increased to            2  itime      332029 
   itsplit           1
 Momenta zeroed out, time            66599.80
 Momenta zeroed out, time            66799.80
- acceleration/energy drift too large   4.37849917392116     
-   12.8402296241184       split increased to            2  itime      334894 
+ acceleration/energy drift too large   5.26954448939810     
+   21.3279014457540       split increased to            2  itime      334243 
+  itsplit           1
+ acceleration/energy drift too large   3.46836814305142     
+   21.9681385539530       split increased to            2  itime      334254 
   itsplit           1
 Momenta zeroed out, time            66999.80
- acceleration/energy drift too large   3.39831429067835     
-   10.8115851631288       split increased to            2  itime      335345 
+ acceleration/energy drift too large   4.18261438858840     
+   17.7100771750259       split increased to            2  itime      335183 
   itsplit           1
- acceleration/energy drift too large   1.32249449010150     
-   16.1537331224081       split increased to            2  itime      335480 
+ acceleration/energy drift too large   10.2177578806784     
+   60.3745746958366       split increased to            2  itime      335295 
   itsplit           1
 Momenta zeroed out, time            67199.80
- acceleration/energy drift too large   7.28268541741929     
-   25.8644260767707       split increased to            2  itime      336840 
-  itsplit           1
 Momenta zeroed out, time            67399.80
- acceleration/energy drift too large   6.28162237336667     
-   22.1596990502668       split increased to            2  itime      337218 
+ acceleration/energy drift too large   3.76347398746069     
+   15.0838505948030       split increased to            2  itime      337738 
   itsplit           1
-Momenta zeroed out, time            67599.80
-Momenta zeroed out, time            67799.80
- acceleration/energy drift too large   9.41977509062767     
-   38.2225390810118       split increased to            2  itime      339032 
+ acceleration/energy drift too large   11.8645187547151     
+   61.9548402117503       split increased to            2  itime      337966 
   itsplit           1
- acceleration/energy drift too large   5.37923216940372     
-   27.4707169494073       split increased to            2  itime      339441 
+Momenta zeroed out, time            67599.80
+ acceleration/energy drift too large   3.60191628829416     
+   20.1295759305260       split increased to            2  itime      338166 
   itsplit           1
- acceleration/energy drift too large   5.55879230616207     
-   10.0303204802687       split increased to            2  itime      339667 
+Momenta zeroed out, time            67799.80
+ acceleration/energy drift too large   3.48337033197168     
+   12.1340531252069       split increased to            2  itime      339037 
   itsplit           1
- acceleration/energy drift too large   3.48901655276500     
-   12.6708571239139       split increased to            2  itime      339744 
+ acceleration/energy drift too large   6.58791005380254     
+   13.9809121524110       split increased to            2  itime      339825 
   itsplit           1
 Velocities reset to random values, time            67999.80
 Momenta zeroed out, time            67999.80
 Momenta zeroed out, time            68199.80
- acceleration/energy drift too large   5.37247310902419     
-   15.5916231736703       split increased to            2  itime      341237 
-  itsplit           1
 Momenta zeroed out, time            68399.80
- acceleration/energy drift too large   4.24546034932888     
-   12.3521975399476       split increased to            2  itime      342412 
+ acceleration/energy drift too large   3.59958447736449     
+   10.5020436798810       split increased to            2  itime      342119 
   itsplit           1
 Momenta zeroed out, time            68599.80
- acceleration/energy drift too large   3.76233737077256     
-   11.5388672968219       split increased to            2  itime      343692 
+ acceleration/energy drift too large   1.12274883581556     
+   10.0360694077151       split increased to            2  itime      343403 
   itsplit           1
 Momenta zeroed out, time            68799.80
- acceleration/energy drift too large   5.27775958612560     
-   13.6423045723182       split increased to            2  itime      344442 
-  itsplit           1
- acceleration/energy drift too large   3.61311328652701     
-   10.5686652428888       split increased to            2  itime      344443 
+ acceleration/energy drift too large   8.23866708777968     
+   23.1837042152763       split increased to            2  itime      344029 
   itsplit           1
 Momenta zeroed out, time            68999.80
- acceleration/energy drift too large   5.11470730211859     
-   13.9599656011622       split increased to            2  itime      345257 
-  itsplit           1
- acceleration/energy drift too large   3.02128964458590     
-   11.7972791591347       split increased to            2  itime      345528 
-  itsplit           1
- acceleration/energy drift too large   4.99569530471764     
-   10.4282875699667       split increased to            2  itime      345632 
-  itsplit           1
- acceleration/energy drift too large   6.11229678517660     
-   31.1131346302251       split increased to            2  itime      345817 
-  itsplit           1
- acceleration/energy drift too large   2.52175353190640     
-   19.6030266308521       split increased to            2  itime      345972 
+ acceleration/energy drift too large   7.90032815550452     
+   28.4443806130339       split increased to            2  itime      345488 
   itsplit           1
 Momenta zeroed out, time            69199.80
- acceleration/energy drift too large   2.34094598293735     
-   10.0961998598116       split increased to            2  itime      346081 
-  itsplit           1
- acceleration/energy drift too large   3.80083118751090     
-   10.6959340031525       split increased to            2  itime      346364 
-  itsplit           1
 Momenta zeroed out, time            69399.80
+ acceleration/energy drift too large   12.8035451113154     
+   80.4727227752457       split increased to            2  itime      347572 
+  itsplit           1
 Momenta zeroed out, time            69599.80
- acceleration/energy drift too large   2.98623734303742     
-   14.5464753878306       split increased to            2  itime      348416 
+ acceleration/energy drift too large   6.44926295786393     
+   16.4534895135405       split increased to            2  itime      348665 
   itsplit           1
 Momenta zeroed out, time            69799.80
- acceleration/energy drift too large   3.19195456665688     
-   16.8897420653901       split increased to            2  itime      349253 
+ acceleration/energy drift too large   5.78115894247543     
+   19.5305104109036       split increased to            2  itime      349131 
   itsplit           1
- acceleration/energy drift too large   8.82176223788177     
-   34.4330594967789       split increased to            2  itime      349339 
+ acceleration/energy drift too large   5.64470230984652     
+   14.6737651950615       split increased to            2  itime      349729 
   itsplit           1
 Velocities reset to random values, time            69999.80
 Momenta zeroed out, time            69999.80
- acceleration/energy drift too large   2.36531203254060     
-   17.0920998883419       split increased to            2  itime      350801 
-  itsplit           1
- acceleration/energy drift too large   6.73599532970735     
-   17.4145535024705       split increased to            2  itime      350961 
+ acceleration/energy drift too large   5.47072229353216     
+   17.9358708252756       split increased to            2  itime      350398 
   itsplit           1
 Momenta zeroed out, time            70199.80
- acceleration/energy drift too large   5.44205289603665     
-   11.6445851878475       split increased to            2  itime      351681 
+ acceleration/energy drift too large   5.75500963726208     
+   16.4878598272194       split increased to            2  itime      351241 
   itsplit           1
 Momenta zeroed out, time            70399.80
- acceleration/energy drift too large   2.57781588054135     
-   12.6002704922255       split increased to            2  itime      352614 
+ acceleration/energy drift too large   3.49173185025140     
+   10.2239145650812       split increased to            2  itime      352641 
   itsplit           1
- acceleration/energy drift too large   2.33343601804002     
-   12.6249782566219       split increased to            2  itime      352615 
+ acceleration/energy drift too large   11.9788480950563     
+   56.4684256780985       split increased to            2  itime      352876 
   itsplit           1
 Momenta zeroed out, time            70599.80
+ acceleration/energy drift too large   4.63709451967093     
+   15.7381922141016       split increased to            2  itime      353892 
+  itsplit           1
 Momenta zeroed out, time            70799.80
-Momenta zeroed out, time            70999.80
-Momenta zeroed out, time            71199.80
- acceleration/energy drift too large   5.05302350475317     
-   23.1153230780359       split increased to            2  itime      356148 
+ acceleration/energy drift too large   5.42130238584233     
+   10.0709091949208       split increased to            2  itime      354195 
   itsplit           1
- acceleration/energy drift too large   4.70572309587041     
-   24.7614188746354       split increased to            2  itime      356301 
+ acceleration/energy drift too large   7.49814186713166     
+   19.3794141815980       split increased to            2  itime      354457 
   itsplit           1
- acceleration/energy drift too large   6.53362493411578     
-   12.5031770884447       split increased to            2  itime      356503 
+ acceleration/energy drift too large   4.80226440709741     
+   22.2654143300060       split increased to            2  itime      354658 
   itsplit           1
-Momenta zeroed out, time            71399.80
- acceleration/energy drift too large   3.45264934765055     
-   24.0412643997999       split increased to            2  itime      357381 
+ acceleration/energy drift too large   6.72127701124100     
+   48.8938117925952       split increased to            2  itime      354707 
+  itsplit           1
+ acceleration/energy drift too large   3.80886197643102     
+   16.6525423217038       split increased to            2  itime      354731 
+  itsplit           1
+ acceleration/energy drift too large   4.82347469718525     
+   20.5013096190704       split increased to            2  itime      354806 
+  itsplit           1
+ acceleration/energy drift too large   3.05419719163083     
+   10.3265801429685       split increased to            2  itime      354848 
+  itsplit           1
+ acceleration/energy drift too large   2.24177086415161     
+   15.3858594655491       split increased to            2  itime      354968 
+  itsplit           1
+Momenta zeroed out, time            70999.80
+ acceleration/energy drift too large   6.89512738333552     
+   16.7797035978963       split increased to            2  itime      355265 
+  itsplit           1
+ acceleration/energy drift too large   4.22005099855670     
+   19.3293417887255       split increased to            2  itime      355373 
   itsplit           1
- acceleration/energy drift too large   4.86510037824683     
-   18.3022990591810       split increased to            2  itime      357464 
+Momenta zeroed out, time            71199.80
+ acceleration/energy drift too large   3.54263168336443     
+   17.2768282496241       split increased to            2  itime      356210 
   itsplit           1
- acceleration/energy drift too large   2.76402096229991     
-   13.9144382014221       split increased to            2  itime      357506 
+ acceleration/energy drift too large   3.25093507138014     
+   15.7849581880233       split increased to            2  itime      356712 
   itsplit           1
- acceleration/energy drift too large   4.60972379483315     
-   27.1389048032391       split increased to            2  itime      357581 
+Momenta zeroed out, time            71399.80
+ acceleration/energy drift too large   4.87937027038000     
+   15.6367146827011       split increased to            2  itime      357230 
   itsplit           1
- acceleration/energy drift too large   4.28197794448325     
-   19.2851466743240       split increased to            2  itime      357814 
+ acceleration/energy drift too large   4.67871528004283     
+   12.4049880046994       split increased to            2  itime      357961 
   itsplit           1
 Momenta zeroed out, time            71599.80
- acceleration/energy drift too large   5.63465080849239     
-   14.1535959606614       split increased to            2  itime      358035 
+ acceleration/energy drift too large   4.41334669915518     
+   11.4274060323882       split increased to            2  itime      358273 
   itsplit           1
- acceleration/energy drift too large   8.10293676081767     
-   23.1848655094786       split increased to            2  itime      358652 
+ acceleration/energy drift too large   2.96924297368469     
+   19.4825764223155       split increased to            2  itime      358887 
   itsplit           1
 Momenta zeroed out, time            71799.80
+ acceleration/energy drift too large   8.27747029894353     
+   43.1078110831312       split increased to            2  itime      359175 
+  itsplit           1
+ acceleration/energy drift too large   2.01042857149388     
+   10.1274763821351       split increased to            4  itime      359175 
+  itsplit           2
 Velocities reset to random values, time            71999.80
 Momenta zeroed out, time            71999.80
- acceleration/energy drift too large   4.26203435633136     
-   17.7543297720786       split increased to            2  itime      360240 
+ acceleration/energy drift too large   5.54235938686684     
+   23.3275802410492       split increased to            2  itime      360404 
   itsplit           1
-Momenta zeroed out, time            72199.80
- acceleration/energy drift too large   5.30530273401170     
-   10.7640652755307       split increased to            2  itime      361220 
+ acceleration/energy drift too large   4.36505434568071     
+   13.6224089403327       split increased to            2  itime      360997 
   itsplit           1
- acceleration/energy drift too large   4.04193238272390     
-   11.5730826832650       split increased to            2  itime      361245 
+Momenta zeroed out, time            72199.80
+ acceleration/energy drift too large   6.85472257349853     
+   34.5794087984185       split increased to            2  itime      361625 
   itsplit           1
 Momenta zeroed out, time            72399.80
+ acceleration/energy drift too large   5.69825177371782     
+   20.1257314444073       split increased to            2  itime      362349 
+  itsplit           1
 Momenta zeroed out, time            72599.80
- acceleration/energy drift too large   5.97991519504811     
-   26.2115459248637       split increased to            2  itime      363680 
+ acceleration/energy drift too large   5.00338650129430     
+   19.4636282240940       split increased to            2  itime      363217 
+  itsplit           1
+ acceleration/energy drift too large   5.10535772044045     
+   10.4942128937277       split increased to            2  itime      363477 
+  itsplit           1
+ acceleration/energy drift too large   2.86974721948378     
+   14.6258531803896       split increased to            2  itime      363918 
   itsplit           1
 Momenta zeroed out, time            72799.80
- acceleration/energy drift too large   4.40548470691055     
-   11.3537098279385       split increased to            2  itime      364257 
+ acceleration/energy drift too large   6.14217951722161     
+   18.9879866975469       split increased to            2  itime      364223 
+  itsplit           1
+ acceleration/energy drift too large   10.5965708220798     
+   45.6668497998881       split increased to            2  itime      364465 
   itsplit           1
- acceleration/energy drift too large   3.08107314104196     
-   12.7767922346425       split increased to            2  itime      364898 
+ acceleration/energy drift too large   17.3266832639136     
+   106.536723594229       split increased to            2  itime      364479 
   itsplit           1
 Momenta zeroed out, time            72999.80
- acceleration/energy drift too large   3.33754318322722     
-   10.5159403066724       split increased to            2  itime      365504 
+ acceleration/energy drift too large   8.39240976368078     
+   32.2214353591713       split increased to            2  itime      365617 
   itsplit           1
- acceleration/energy drift too large   4.94201262664882     
-   14.1627975816432       split increased to            2  itime      365766 
+ acceleration/energy drift too large   13.5762373425708     
+   68.1728664182754       split increased to            2  itime      365740 
   itsplit           1
 Momenta zeroed out, time            73199.80
+ acceleration/energy drift too large   5.28245936680034     
+   16.4840836368787       split increased to            2  itime      366543 
+  itsplit           1
 Momenta zeroed out, time            73399.80
- acceleration/energy drift too large   5.81007309720742     
-   16.0271897508598       split increased to            2  itime      367678 
+ acceleration/energy drift too large   8.59653628246721     
+   44.3836937864439       split increased to            2  itime      367446 
   itsplit           1
-Momenta zeroed out, time            73599.80
- acceleration/energy drift too large   3.67925823476288     
-   20.8843361618820       split increased to            2  itime      368049 
+ acceleration/energy drift too large   16.3182252419349     
+   87.1408109962287       split increased to            2  itime      367449 
   itsplit           1
- acceleration/energy drift too large   3.87185778886050     
-   10.5028644609833       split increased to            2  itime      368055 
+ acceleration/energy drift too large   6.69363278133758     
+   19.1787657898829       split increased to            2  itime      367774 
+  itsplit           1
+Momenta zeroed out, time            73599.80
+ acceleration/energy drift too large   4.28907427380448     
+   13.6231673621385       split increased to            2  itime      368702 
   itsplit           1
 Momenta zeroed out, time            73799.80
- acceleration/energy drift too large   2.27824185952893     
-   10.3751532604364       split increased to            2  itime      369185 
+ acceleration/energy drift too large   3.59401878931810     
+   15.0588486881215       split increased to            2  itime      369193 
+  itsplit           1
+ acceleration/energy drift too large   2.76989461228326     
+   24.6726917164619       split increased to            2  itime      369244 
+  itsplit           1
+ acceleration/energy drift too large   5.68164128567248     
+   25.8591067775136       split increased to            2  itime      369585 
   itsplit           1
- acceleration/energy drift too large   4.01587807904775     
-   18.3609869908234       split increased to            2  itime      369581 
+ acceleration/energy drift too large   4.93064968840649     
+   21.6646205725324       split increased to            2  itime      369997 
   itsplit           1
 Velocities reset to random values, time            73999.80
 Momenta zeroed out, time            73999.80
- acceleration/energy drift too large   6.39499765494721     
-   19.3646570063119       split increased to            2  itime      370442 
+ acceleration/energy drift too large   3.55913039602000     
+   10.1525074109176       split increased to            2  itime      370003 
   itsplit           1
- acceleration/energy drift too large   3.40827561924297     
-   10.7116025344267       split increased to            2  itime      370531 
+ acceleration/energy drift too large   4.58225802869849     
+   11.0208677372854       split increased to            2  itime      370173 
   itsplit           1
- acceleration/energy drift too large   2.61236241634388     
-   16.2044496003124       split increased to            2  itime      370734 
+ acceleration/energy drift too large   3.99292410172250     
+   12.5186478300850       split increased to            2  itime      370233 
   itsplit           1
 Momenta zeroed out, time            74199.80
- acceleration/energy drift too large   14.2698580532794     
-   92.2925031283456       split increased to            2  itime      371043 
-  itsplit           1
- acceleration/energy drift too large   3.45400040620594     
-   22.3622189513288       split increased to            4  itime      371043 
-  itsplit           2
- acceleration/energy drift too large   6.18992338292324     
-   16.1473666862723       split increased to            2  itime      371540 
-  itsplit           1
- acceleration/energy drift too large   5.03038885154700     
-   11.0637904564391       split increased to            2  itime      371577 
+ acceleration/energy drift too large   2.51462718181025     
+   12.3369450139306       split increased to            2  itime      371773 
   itsplit           1
 Momenta zeroed out, time            74399.80
- acceleration/energy drift too large   8.86050438210918     
-   36.0334739534828       split increased to            2  itime      372217 
+ acceleration/energy drift too large   3.80376314130807     
+   14.7821875292791       split increased to            2  itime      372147 
   itsplit           1
- acceleration/energy drift too large   9.52620943715526     
-   39.4587699087248       split increased to            2  itime      372448 
+ acceleration/energy drift too large   5.35380259256531     
+   17.0401691600656       split increased to            2  itime      372610 
   itsplit           1
-Momenta zeroed out, time            74599.80
- acceleration/energy drift too large   2.58945744052065     
-   14.2135387048968       split increased to            2  itime      373171 
+ acceleration/energy drift too large   5.93270408036257     
+   13.1634200242405       split increased to            2  itime      372644 
   itsplit           1
- acceleration/energy drift too large   3.95234010952642     
-   12.0624637176228       split increased to            2  itime      373317 
+ acceleration/energy drift too large   3.20876993155802     
+   19.6500942077901       split increased to            2  itime      372910 
   itsplit           1
- acceleration/energy drift too large   11.2583878328503     
-   53.3034301108235       split increased to            2  itime      373497 
+ acceleration/energy drift too large   2.52606818205846     
+   11.2969247914327       split increased to            2  itime      372967 
   itsplit           1
- acceleration/energy drift too large   4.39248911584482     
-   14.0044825016785       split increased to            2  itime      373610 
+Momenta zeroed out, time            74599.80
+ acceleration/energy drift too large   3.34486687579369     
+   10.2897749941372       split increased to            2  itime      373480 
+  itsplit           1
+ acceleration/energy drift too large   2.39082476202213     
+   11.4890904898387       split increased to            2  itime      373731 
   itsplit           1
 Momenta zeroed out, time            74799.80
 Momenta zeroed out, time            74999.80
- acceleration/energy drift too large   4.76825323983411     
-   13.2288531761364       split increased to            2  itime      375110 
-  itsplit           1
- acceleration/energy drift too large   3.49770541301528     
-   11.7464181154955       split increased to            2  itime      375279 
+ acceleration/energy drift too large   9.42578435628496     
+   64.6483033266136       split increased to            2  itime      375206 
   itsplit           1
 Momenta zeroed out, time            75199.80
- acceleration/energy drift too large   5.94312325543185     
-   17.4030626210833       split increased to            2  itime      376828 
+ acceleration/energy drift too large   6.40249509911823     
+   15.9973440561479       split increased to            2  itime      376085 
   itsplit           1
 Momenta zeroed out, time            75399.80
-Momenta zeroed out, time            75599.80
- acceleration/energy drift too large   8.67377544513257     
-   37.0821834632221       split increased to            2  itime      378652 
+ acceleration/energy drift too large   3.57626926439316     
+   12.0802424167744       split increased to            2  itime      377080 
   itsplit           1
-Momenta zeroed out, time            75799.80
- acceleration/energy drift too large   4.89860076503965     
-   25.5492902534540       split increased to            2  itime      379131 
+ acceleration/energy drift too large   8.92332434391107     
+   36.6585943269643       split increased to            2  itime      377270 
   itsplit           1
- acceleration/energy drift too large   5.48113225629665     
-   14.9040339346746       split increased to            2  itime      379780 
+Momenta zeroed out, time            75599.80
+ acceleration/energy drift too large   7.29957193573794     
+   25.0059640331772       split increased to            2  itime      378960 
   itsplit           1
+Momenta zeroed out, time            75799.80
 Velocities reset to random values, time            75999.80
 Momenta zeroed out, time            75999.80
- acceleration/energy drift too large   4.97561602805254     
-   20.7128407463375       split increased to            2  itime      380912 
+ acceleration/energy drift too large   5.44495131613463     
+   29.8057380339542       split increased to            2  itime      380391 
   itsplit           1
 Momenta zeroed out, time            76199.80
- acceleration/energy drift too large   8.02092256646970     
-   44.1354564941413       split increased to            2  itime      381879 
+ acceleration/energy drift too large   7.19464240504329     
+   22.8082968987231       split increased to            2  itime      381348 
+  itsplit           1
+ acceleration/energy drift too large   6.35190921300267     
+   17.4381650368299       split increased to            2  itime      381976 
   itsplit           1
 Momenta zeroed out, time            76399.80
- acceleration/energy drift too large   4.96727414993599     
-   14.4285179806855       split increased to            2  itime      382058 
+ acceleration/energy drift too large   11.3769751101743     
+   61.8417754778638       split increased to            2  itime      382338 
+  itsplit           1
+ acceleration/energy drift too large   6.77257103502568     
+   15.3415886490704       split increased to            2  itime      382354 
   itsplit           1
 Momenta zeroed out, time            76599.80
 Momenta zeroed out, time            76799.80
- acceleration/energy drift too large   4.76856694115277     
-   13.6048654534147       split increased to            2  itime      384114 
-  itsplit           1
- acceleration/energy drift too large   3.81526018807234     
-   10.4989125870010       split increased to            2  itime      384752 
-  itsplit           1
 Momenta zeroed out, time            76999.80
- acceleration/energy drift too large   3.33757634390713     
-   13.5657058948785       split increased to            2  itime      385167 
-  itsplit           1
- acceleration/energy drift too large   6.83926801740146     
-   16.5810439360587       split increased to            2  itime      385601 
+ acceleration/energy drift too large   3.94663920435049     
+   14.7355780013243       split increased to            2  itime      385735 
   itsplit           1
 Momenta zeroed out, time            77199.80
- acceleration/energy drift too large   7.19635943814975     
-   35.3808921587759       split increased to            2  itime      386973 
+ acceleration/energy drift too large   3.48503476322984     
+   11.2582433629650       split increased to            2  itime      386540 
+  itsplit           1
+ acceleration/energy drift too large   7.82493782772637     
+   26.2187572496677       split increased to            2  itime      386978 
   itsplit           1
 Momenta zeroed out, time            77399.80
 Momenta zeroed out, time            77599.80
- acceleration/energy drift too large   7.81102893770822     
-   29.3184961539025       split increased to            2  itime      388030 
-  itsplit           1
- acceleration/energy drift too large   6.63029573458530     
-   15.6322115739942       split increased to            2  itime      388031 
-  itsplit           1
- acceleration/energy drift too large   5.94071150146493     
-   22.5327629102757       split increased to            2  itime      388134 
-  itsplit           1
 Momenta zeroed out, time            77799.80
- acceleration/energy drift too large   5.11916937982142     
-   16.9915041299946       split increased to            2  itime      389019 
-  itsplit           1
- acceleration/energy drift too large   4.71200871681360     
-   12.0452288638609       split increased to            2  itime      389335 
-  itsplit           1
- acceleration/energy drift too large   5.10392838680888     
-   14.1016402301103       split increased to            2  itime      389893 
+ acceleration/energy drift too large   5.92221782025361     
+   26.4589690009538       split increased to            2  itime      389181 
   itsplit           1
 Velocities reset to random values, time            77999.80
 Momenta zeroed out, time            77999.80
- acceleration/energy drift too large   4.35295929892256     
-   12.4538295915027       split increased to            2  itime      390473 
+ acceleration/energy drift too large   7.82793513539262     
+   39.8284982174771       split increased to            2  itime      390362 
   itsplit           1
-Momenta zeroed out, time            78199.80
- acceleration/energy drift too large   5.33297971102481     
-   23.6985383492657       split increased to            2  itime      391335 
+ acceleration/energy drift too large   4.88181537257833     
+   17.2008197130254       split increased to            2  itime      390456 
   itsplit           1
- acceleration/energy drift too large   12.6443167804499     
-   67.9651103644651       split increased to            2  itime      391412 
+Momenta zeroed out, time            78199.80
+ acceleration/energy drift too large   5.79683393828278     
+   13.9276776043757       split increased to            2  itime      391647 
   itsplit           1
- acceleration/energy drift too large   5.94300749250757     
-   33.7358979713029       split increased to            2  itime      391514 
+Momenta zeroed out, time            78399.80
+ acceleration/energy drift too large   2.97338598203448     
+   17.1729110687880       split increased to            2  itime      392548 
   itsplit           1
- acceleration/energy drift too large   2.81769206813993     
-   11.4112389852475       split increased to            2  itime      391892 
+ acceleration/energy drift too large   12.1616324254417     
+   94.5534415350205       split increased to            2  itime      392732 
   itsplit           1
-Momenta zeroed out, time            78399.80
- acceleration/energy drift too large   6.31410148125226     
-   13.6996700157529       split increased to            2  itime      392569 
+ acceleration/energy drift too large   2.56001726595618     
+   15.8944828738705       split increased to            4  itime      392732 
   itsplit           1
 Momenta zeroed out, time            78599.80
+ acceleration/energy drift too large   2.71994711085537     
+   11.8856466964555       split increased to            2  itime      393552 
+  itsplit           1
+ acceleration/energy drift too large   6.45441340563471     
+   34.3896132478317       split increased to            2  itime      393635 
+  itsplit           1
 Momenta zeroed out, time            78799.80
- acceleration/energy drift too large   4.18861212847247     
-   10.8552377031994       split increased to            2  itime      394182 
+ acceleration/energy drift too large   5.20345955824695     
+   32.8565000490279       split increased to            2  itime      394079 
   itsplit           1
-Momenta zeroed out, time            78999.80
- acceleration/energy drift too large   2.31758005359897     
-   13.4221811051496       split increased to            2  itime      395171 
+ acceleration/energy drift too large   5.65316327781839     
+   27.0156246286942       split increased to            2  itime      394249 
   itsplit           1
- acceleration/energy drift too large   7.06175054045161     
-   22.6811491344656       split increased to            2  itime      395250 
+ acceleration/energy drift too large   3.69926569420108     
+   18.6988655845771       split increased to            2  itime      394281 
   itsplit           1
- acceleration/energy drift too large   3.09012597778384     
-   10.6734915541991       split increased to            2  itime      395433 
+ acceleration/energy drift too large   2.28958891264385     
+   12.2331760376271       split increased to            2  itime      394708 
   itsplit           1
- acceleration/energy drift too large   4.66198743239011     
-   11.1291911575190       split increased to            2  itime      395550 
+ acceleration/energy drift too large   5.55168415241850     
+   13.5227939904688       split increased to            2  itime      394853 
   itsplit           1
-Momenta zeroed out, time            79199.80
- acceleration/energy drift too large   5.10070221751251     
-   23.0911528442690       split increased to            2  itime      396132 
+Momenta zeroed out, time            78999.80
+ acceleration/energy drift too large   12.1169284008951     
+   71.1450376323601       split increased to            2  itime      395553 
+  itsplit           1
+ acceleration/energy drift too large   3.83406452274351     
+   17.4431019282515       split increased to            2  itime      395858 
   itsplit           1
- acceleration/energy drift too large   3.58092443324527     
-   10.8317744129570       split increased to            2  itime      396615 
+Momenta zeroed out, time            79199.80
+ acceleration/energy drift too large   1.89358961626773     
+   11.4892574133687       split increased to            2  itime      396731 
   itsplit           1
 Momenta zeroed out, time            79399.80
 Momenta zeroed out, time            79599.80
- acceleration/energy drift too large   3.85165894361720     
-   12.6728839174297       split increased to            2  itime      398717 
+ acceleration/energy drift too large   9.68046920889385     
+   40.8985131278962       split increased to            2  itime      398254 
   itsplit           1
 Momenta zeroed out, time            79799.80
 Velocities reset to random values, time            79999.80
 Momenta zeroed out, time            79999.80
- acceleration/energy drift too large   8.63559394338895     
-   31.7807562661871       split increased to            2  itime      400670 
-  itsplit           1
 Momenta zeroed out, time            80199.80
- acceleration/energy drift too large   7.79814369875546     
-   15.1081870923231       split increased to            2  itime      401568 
+ acceleration/energy drift too large   7.99332147272143     
+   27.0818011973614       split increased to            2  itime      401169 
   itsplit           1
- acceleration/energy drift too large   5.58515857855493     
-   26.3053617936582       split increased to            2  itime      401608 
+ acceleration/energy drift too large   6.77867617587714     
+   19.8185596536084       split increased to            2  itime      401855 
   itsplit           1
- acceleration/energy drift too large   7.52839027778886     
-   33.8343031252103       split increased to            2  itime      401895 
+ acceleration/energy drift too large   2.42237080940872     
+   12.2719577557010       split increased to            2  itime      401876 
   itsplit           1
 Momenta zeroed out, time            80399.80
- acceleration/energy drift too large   5.93657897913829     
-   20.6484917368631       split increased to            2  itime      402996 
+ acceleration/energy drift too large   5.12189777390659     
+   18.3734541142943       split increased to            2  itime      402874 
   itsplit           1
 Momenta zeroed out, time            80599.80
+ acceleration/energy drift too large   6.10658994148580     
+   28.8324361182174       split increased to            2  itime      403825 
+  itsplit           1
 Momenta zeroed out, time            80799.80
- acceleration/energy drift too large   5.12659343383849     
-   24.3244983103596       split increased to            2  itime      404065 
+ acceleration/energy drift too large   4.89203432708555     
+   22.1575231874533       split increased to            2  itime      404097 
+  itsplit           1
+ acceleration/energy drift too large   3.15525294514401     
+   10.0746065689232       split increased to            2  itime      404098 
   itsplit           1
- acceleration/energy drift too large   4.72045886782886     
-   11.4253507348187       split increased to            2  itime      404095 
+ acceleration/energy drift too large   2.77584914356658     
+   10.6778888622287       split increased to            2  itime      404437 
   itsplit           1
 Momenta zeroed out, time            80999.80
- acceleration/energy drift too large   4.54852608254498     
-   10.4521673639140       split increased to            2  itime      405758 
+ acceleration/energy drift too large   4.27948704262588     
+   12.8237402684209       split increased to            2  itime      405135 
   itsplit           1
 Momenta zeroed out, time            81199.80
- acceleration/energy drift too large   5.09697928496739     
-   11.7914649782332       split increased to            2  itime      406395 
+ acceleration/energy drift too large   6.35405648553858     
+   14.3148487822375       split increased to            2  itime      406294 
   itsplit           1
- acceleration/energy drift too large   4.54783443104754     
-   17.1932920350723       split increased to            2  itime      406425 
-  itsplit           1
- acceleration/energy drift too large   5.70196451800166     
-   18.8147743336247       split increased to            2  itime      406879 
-  itsplit           1
- acceleration/energy drift too large   10.2792880085974     
-   48.4501521506361       split increased to            2  itime      406987 
+ acceleration/energy drift too large   23.4464258791232     
+   149.071533101274       split increased to            2  itime      406802 
   itsplit           1
 Momenta zeroed out, time            81399.80
- acceleration/energy drift too large   4.63960802270121     
-   15.0010281229480       split increased to            2  itime      407151 
+ acceleration/energy drift too large   4.00499908503522     
+   10.4112854333077       split increased to            2  itime      407031 
   itsplit           1
 Momenta zeroed out, time            81599.80
- acceleration/energy drift too large   4.68596642810349     
-   13.8938895834046       split increased to            2  itime      408086 
-  itsplit           1
- acceleration/energy drift too large   8.30030812752015     
-   38.5406195583691       split increased to            2  itime      408214 
-  itsplit           1
 Momenta zeroed out, time            81799.80
- acceleration/energy drift too large   5.27787398899996     
-   11.9105312318949       split increased to            2  itime      409101 
-  itsplit           1
- acceleration/energy drift too large   5.71544424192369     
-   14.4817696870062       split increased to            2  itime      409296 
-  itsplit           1
- acceleration/energy drift too large   8.37048764455290     
-   40.1166684186020       split increased to            2  itime      409819 
-  itsplit           1
 Velocities reset to random values, time            81999.80
 Momenta zeroed out, time            81999.80
- acceleration/energy drift too large   5.91118186352057     
-   15.7030370038688       split increased to            2  itime      410438 
-  itsplit           1
- acceleration/energy drift too large   6.32426910377658     
-   37.3619267221396       split increased to            2  itime      410659 
+ acceleration/energy drift too large   6.98906152234641     
+   15.5606009569520       split increased to            2  itime      410032 
   itsplit           1
- acceleration/energy drift too large   10.9090196163869     
-   51.2744322452053       split increased to            2  itime      410805 
+ acceleration/energy drift too large   6.54837102983733     
+   12.3621866967287       split increased to            2  itime      410278 
   itsplit           1
- acceleration/energy drift too large   2.65952014517560     
-   12.2143296149101       split increased to            4  itime      410805 
-  itsplit           2
 Momenta zeroed out, time            82199.80
- acceleration/energy drift too large   6.67631721717311     
-   26.6222892396506       split increased to            2  itime      411344 
-  itsplit           1
 Momenta zeroed out, time            82399.80
- acceleration/energy drift too large   4.51489229767030     
-   12.8079318903567       split increased to            2  itime      412480 
+ acceleration/energy drift too large   5.82689744206767     
+   25.5150882345731       split increased to            2  itime      412237 
   itsplit           1
 Momenta zeroed out, time            82599.80
- acceleration/energy drift too large   8.54333406173714     
-   29.9328500420699       split increased to            2  itime      413125 
-  itsplit           1
 Momenta zeroed out, time            82799.80
-Momenta zeroed out, time            82999.80
- acceleration/energy drift too large   5.14800131508490     
-   10.2149945091535       split increased to            2  itime      415333 
+ acceleration/energy drift too large   4.65869631692642     
+   10.3500120574817       split increased to            2  itime      414740 
   itsplit           1
+Momenta zeroed out, time            82999.80
 Momenta zeroed out, time            83199.80
- acceleration/energy drift too large   7.80099325353186     
-   19.3489876939861       split increased to            2  itime      416385 
+ acceleration/energy drift too large   5.01089200621655     
+   16.2443847868122       split increased to            2  itime      416945 
   itsplit           1
 Momenta zeroed out, time            83399.80
- acceleration/energy drift too large   3.52067765129738     
-   15.2026915008246       split increased to            2  itime      417190 
-  itsplit           1
- acceleration/energy drift too large   9.48545989363667     
-   41.3162126457948       split increased to            2  itime      417792 
+ acceleration/energy drift too large   4.61637478607868     
+   15.5376774941428       split increased to            2  itime      417870 
   itsplit           1
- acceleration/energy drift too large   3.25363523118743     
-   10.1857770423268       split increased to            2  itime      417887 
+ acceleration/energy drift too large   5.12129103844722     
+   22.2951489686554       split increased to            2  itime      417880 
   itsplit           1
 Momenta zeroed out, time            83599.80
- acceleration/energy drift too large   4.81150399628286     
-   22.9345956923561       split increased to            2  itime      418763 
-  itsplit           1
 Momenta zeroed out, time            83799.80
- acceleration/energy drift too large   8.43500115636689     
-   40.5569662000490       split increased to            2  itime      419057 
-  itsplit           1
- acceleration/energy drift too large   6.64596315429521     
-   21.3881823688398       split increased to            2  itime      419900 
+ acceleration/energy drift too large   6.74252234526104     
+   30.0955205895990       split increased to            2  itime      419896 
   itsplit           1
 Velocities reset to random values, time            83999.80
 Momenta zeroed out, time            83999.80
- acceleration/energy drift too large   12.2915951001752     
-   72.4212591657979       split increased to            2  itime      420673 
+Momenta zeroed out, time            84199.80
+ acceleration/energy drift too large   5.06939354303012     
+   29.9749394989275       split increased to            2  itime      421287 
   itsplit           1
- acceleration/energy drift too large   3.93146906001820     
-   13.3588561174346       split increased to            2  itime      420903 
+ acceleration/energy drift too large   3.20893004584326     
+   10.7707099145307       split increased to            2  itime      421290 
   itsplit           1
-Momenta zeroed out, time            84199.80
- acceleration/energy drift too large   5.01227276713776     
-   21.1846431084910       split increased to            2  itime      421827 
+ acceleration/energy drift too large   3.38175014096860     
+   12.3674314979021       split increased to            2  itime      421300 
   itsplit           1
- acceleration/energy drift too large   8.43930896289794     
-   24.7346226439173       split increased to            2  itime      421830 
+ acceleration/energy drift too large   4.10871438069434     
+   10.1607423785882       split increased to            2  itime      421305 
   itsplit           1
- acceleration/energy drift too large   4.76838393589804     
-   14.3623659464304       split increased to            2  itime      421911 
+ acceleration/energy drift too large   3.53873632894178     
+   10.2267079511923       split increased to            2  itime      421308 
+  itsplit           1
+ acceleration/energy drift too large   3.14218957955132     
+   12.0519794662585       split increased to            2  itime      421532 
+  itsplit           1
+ acceleration/energy drift too large   14.0801107640144     
+   92.5548751657234       split increased to            2  itime      421835 
+  itsplit           1
+ acceleration/energy drift too large   2.86982460403487     
+   14.7724442560187       split increased to            4  itime      421835 
+  itsplit           1
+Momenta zeroed out, time            84399.80
+Momenta zeroed out, time            84599.80
+ acceleration/energy drift too large   3.42296606543946     
+   22.7989894219455       split increased to            2  itime      423056 
+  itsplit           1
+ acceleration/energy drift too large   3.40452724857753     
+   10.7864120059115       split increased to            2  itime      423714 
   itsplit           1
-Momenta zeroed out, time            84399.80
-Momenta zeroed out, time            84599.80
 Momenta zeroed out, time            84799.80
+ acceleration/energy drift too large   5.98608792993546     
+   15.4189140005902       split increased to            2  itime      424280 
+  itsplit           1
+ acceleration/energy drift too large   3.26625501448245     
+   20.3997081678115       split increased to            2  itime      424505 
+  itsplit           1
+ acceleration/energy drift too large   5.61333947287177     
+   19.4183039696020       split increased to            2  itime      424704 
+  itsplit           1
+ acceleration/energy drift too large   3.82092725187929     
+   16.6849809495248       split increased to            2  itime      424875 
+  itsplit           1
+ acceleration/energy drift too large   8.06082608858923     
+   59.1660989974693       split increased to            2  itime      424882 
+  itsplit           1
+ acceleration/energy drift too large   1.61299616029560     
+   10.4077484349724       split increased to            4  itime      424882 
+  itsplit           2
 Momenta zeroed out, time            84999.80
 Momenta zeroed out, time            85199.80
 Momenta zeroed out, time            85399.80
- acceleration/energy drift too large   2.35721845205335     
-   14.0475825657992       split increased to            2  itime      427954 
-  itsplit           1
 Momenta zeroed out, time            85599.80
- acceleration/energy drift too large   5.15456275043728     
-   24.2634518519088       split increased to            2  itime      428554 
-  itsplit           1
 Momenta zeroed out, time            85799.80
+ acceleration/energy drift too large   3.91933234902696     
+   18.7117886599033       split increased to            2  itime      429401 
+  itsplit           1
 Velocities reset to random values, time            85999.80
 Momenta zeroed out, time            85999.80
- acceleration/energy drift too large   2.42545905600925     
-   12.9254747743487       split increased to            2  itime      430430 
-  itsplit           1
- acceleration/energy drift too large   9.84978679549602     
-   46.3763739519624       split increased to            2  itime      430439 
+ acceleration/energy drift too large   3.07869693513736     
+   12.4373140632261       split increased to            2  itime      430486 
   itsplit           1
 Momenta zeroed out, time            86199.80
- acceleration/energy drift too large   3.55143640330759     
-   13.1688674748136       split increased to            2  itime      431802 
+ acceleration/energy drift too large   2.41211495229967     
+   11.9854266179773       split increased to            2  itime      431223 
   itsplit           1
- acceleration/energy drift too large   5.03580183748103     
-   11.8096447742706       split increased to            2  itime      431917 
+ acceleration/energy drift too large   4.87479721419697     
+   22.0020228247918       split increased to            2  itime      431593 
+  itsplit           1
+ acceleration/energy drift too large   5.15591135373275     
+   11.1982208088043       split increased to            2  itime      431899 
   itsplit           1
 Momenta zeroed out, time            86399.80
- acceleration/energy drift too large   3.12950578585221     
-   17.9772662929160       split increased to            2  itime      432988 
+ acceleration/energy drift too large   6.68620080735605     
+   22.9139864340263       split increased to            2  itime      432562 
+  itsplit           1
+ acceleration/energy drift too large   8.79380221602971     
+   36.0690113396084       split increased to            2  itime      432682 
   itsplit           1
 Momenta zeroed out, time            86599.80
+ acceleration/energy drift too large   7.47201821457609     
+   10.9950652725669       split increased to            2  itime      433735 
+  itsplit           1
 Momenta zeroed out, time            86799.80
+ acceleration/energy drift too large   5.46382419432788     
+   20.3473966221205       split increased to            2  itime      434850 
+  itsplit           1
 Momenta zeroed out, time            86999.80
+ acceleration/energy drift too large   2.18590612064786     
+   12.2578102588531       split increased to            2  itime      435098 
+  itsplit           1
+ acceleration/energy drift too large   4.90532794539051     
+   11.8023738883677       split increased to            2  itime      435855 
+  itsplit           1
 Momenta zeroed out, time            87199.80
+ acceleration/energy drift too large   5.60840615542911     
+   13.5006671401689       split increased to            2  itime      436231 
+  itsplit           1
 Momenta zeroed out, time            87399.80
+ acceleration/energy drift too large   10.4517821849242     
+   51.9284926332936       split increased to            2  itime      437358 
+  itsplit           1
+ acceleration/energy drift too large   5.25411485019227     
+   11.9690516639826       split increased to            2  itime      437373 
+  itsplit           1
 Momenta zeroed out, time            87599.80
- acceleration/energy drift too large   4.75838801861717     
-   19.9226103965073       split increased to            2  itime      438674 
+ acceleration/energy drift too large   4.72029860247305     
+   11.7209448561487       split increased to            2  itime      438790 
   itsplit           1
 Momenta zeroed out, time            87799.80
- acceleration/energy drift too large   9.52694934752186     
-   44.6517792097849       split increased to            2  itime      439743 
+ acceleration/energy drift too large   6.60265947210044     
+   12.8715303676832       split increased to            2  itime      439427 
+  itsplit           1
+ acceleration/energy drift too large   5.88549595081001     
+   12.6482082918316       split increased to            2  itime      439619 
   itsplit           1
 Velocities reset to random values, time            87999.80
 Momenta zeroed out, time            87999.80
- acceleration/energy drift too large   16.0088783380812     
-   84.7776431437270       split increased to            2  itime      440035 
+ acceleration/energy drift too large   3.56397593180473     
+   11.6431657517120       split increased to            2  itime      440446 
   itsplit           1
 Momenta zeroed out, time            88199.80
- acceleration/energy drift too large   4.44177975780293     
-   13.0662052465302       split increased to            2  itime      441075 
-  itsplit           1
- acceleration/energy drift too large   5.06605494263583     
-   17.6593467982364       split increased to            2  itime      441306 
-  itsplit           1
- acceleration/energy drift too large   9.51474725922076     
-   44.2645258349110       split increased to            2  itime      441604 
-  itsplit           1
- acceleration/energy drift too large   2.27190841959605     
-   12.0447503119876       split increased to            2  itime      441605 
-  itsplit           1
- acceleration/energy drift too large   8.18509537409727     
-   17.2951421815066       split increased to            2  itime      441894 
+ acceleration/energy drift too large   8.26079544531081     
+   37.1620998393178       split increased to            2  itime      441887 
   itsplit           1
 Momenta zeroed out, time            88399.80
- acceleration/energy drift too large   6.28083715919609     
-   20.4908764708228       split increased to            2  itime      442135 
+ acceleration/energy drift too large   11.4240592882391     
+   63.5799053303793       split increased to            2  itime      442791 
   itsplit           1
- acceleration/energy drift too large   3.49062750156677     
-   18.4000749683937       split increased to            2  itime      442793 
+Momenta zeroed out, time            88599.80
+ acceleration/energy drift too large   4.31256638899469     
+   10.8281672016234       split increased to            2  itime      443501 
   itsplit           1
- acceleration/energy drift too large   7.17964783659489     
-   13.1980350337709       split increased to            2  itime      442926 
+ acceleration/energy drift too large   3.57569221542122     
+   12.5392074176049       split increased to            2  itime      443547 
   itsplit           1
-Momenta zeroed out, time            88599.80
 Momenta zeroed out, time            88799.80
+ acceleration/energy drift too large   7.58218738555327     
+   25.0807755415088       split increased to            2  itime      444352 
+  itsplit           1
 Momenta zeroed out, time            88999.80
+ acceleration/energy drift too large   3.32999422253004     
+   22.1925858397351       split increased to            2  itime      445228 
+  itsplit           1
 Momenta zeroed out, time            89199.80
- acceleration/energy drift too large   5.91919586834434     
-   11.4074922939209       split increased to            2  itime      446960 
+ acceleration/energy drift too large   4.41896710210096     
+   13.4241586345999       split increased to            2  itime      446700 
   itsplit           1
 Momenta zeroed out, time            89399.80
- acceleration/energy drift too large   10.1978938566954     
-   49.5964666404631       split increased to            2  itime      447498 
+ acceleration/energy drift too large   6.57976655767417     
+   20.1539769365585       split increased to            2  itime      447015 
   itsplit           1
- acceleration/energy drift too large   2.17761830406530     
-   13.8617385352781       split increased to            2  itime      447499 
+ acceleration/energy drift too large   5.10976822299090     
+   25.7335409621446       split increased to            2  itime      447237 
   itsplit           1
- acceleration/energy drift too large   2.73810107306171     
-   10.6074388477245       split increased to            2  itime      447987 
+ acceleration/energy drift too large   7.15734270888862     
+   23.3061171650693       split increased to            2  itime      447245 
+  itsplit           1
+ acceleration/energy drift too large   2.58890602375779     
+   11.7083939230007       split increased to            4  itime      447245 
   itsplit           1
 Momenta zeroed out, time            89599.80
- acceleration/energy drift too large   2.42014551771445     
-   10.9928587677433       split increased to            2  itime      448028 
+ acceleration/energy drift too large   3.68277832273656     
+   11.6892782892625       split increased to            2  itime      448285 
   itsplit           1
-Momenta zeroed out, time            89799.80
- acceleration/energy drift too large   4.36943383152624     
-   17.7581811922618       split increased to            2  itime      449694 
+ acceleration/energy drift too large   7.74058383097011     
+   19.6587866549222       split increased to            2  itime      448693 
   itsplit           1
- acceleration/energy drift too large   4.34220421349426     
-   14.5986627565643       split increased to            2  itime      449909 
+ acceleration/energy drift too large   1.98258857084019     
+   10.3369940604194       split increased to            2  itime      448770 
   itsplit           1
-Velocities reset to random values, time            89999.80
-Momenta zeroed out, time            89999.80
- acceleration/energy drift too large   5.04050858874177     
-   13.0374606579888       split increased to            2  itime      450378 
+ acceleration/energy drift too large   4.60358985099088     
+   11.9827877536833       split increased to            2  itime      448966 
   itsplit           1
- acceleration/energy drift too large   4.34171122599268     
-   11.1351190809221       split increased to            2  itime      450622 
+Momenta zeroed out, time            89799.80
+ acceleration/energy drift too large   2.74783701056178     
+   10.7391341330565       split increased to            2  itime      449758 
   itsplit           1
+Velocities reset to random values, time            89999.80
+Momenta zeroed out, time            89999.80
 Momenta zeroed out, time            90199.80
- acceleration/energy drift too large   12.1845192989159     
-   70.3108379012394       split increased to            2  itime      451614 
+ acceleration/energy drift too large   7.19340368953814     
+   46.3046795218872       split increased to            2  itime      451224 
   itsplit           1
+ acceleration/energy drift too large   1.74031762859856     
+   10.8473540225213       split increased to            4  itime      451224 
+  itsplit           2
 Momenta zeroed out, time            90399.80
-Momenta zeroed out, time            90599.80
- acceleration/energy drift too large   6.33889236063389     
-   21.8921894535330       split increased to            2  itime      453242 
-  itsplit           1
- acceleration/energy drift too large   4.55864585171283     
-   12.8592978488212       split increased to            2  itime      453462 
-  itsplit           1
- acceleration/energy drift too large   3.89071530329271     
-   11.0255948286980       split increased to            2  itime      453963 
+ acceleration/energy drift too large   6.58645004973696     
+   16.8801593109478       split increased to            2  itime      452266 
   itsplit           1
-Momenta zeroed out, time            90799.80
- acceleration/energy drift too large   5.00999657962875     
-   13.3431201480338       split increased to            2  itime      454040 
-  itsplit           1
- acceleration/energy drift too large   6.47762832968926     
-   14.4375217413565       split increased to            2  itime      454518 
-  itsplit           1
- acceleration/energy drift too large   3.64019364584074     
-   12.4703442644279       split increased to            2  itime      454718 
+ acceleration/energy drift too large  0.566703701935581     
+   21.9401906125988       split increased to            2  itime      452267 
   itsplit           1
-Momenta zeroed out, time            90999.80
- acceleration/energy drift too large   4.55808830386576     
-   16.8675111418828       split increased to            2  itime      455065 
+Momenta zeroed out, time            90599.80
+ acceleration/energy drift too large   6.58208463600499     
+   19.1273360140545       split increased to            2  itime      453565 
   itsplit           1
- acceleration/energy drift too large   3.11179271631827     
-   11.3861385530436       split increased to            2  itime      455066 
+ acceleration/energy drift too large   2.95007977575572     
+   13.4341544996830       split increased to            2  itime      453566 
   itsplit           1
- acceleration/energy drift too large   5.03549822296469     
-   24.1982519080359       split increased to            2  itime      455264 
+ acceleration/energy drift too large   14.2568219818298     
+   78.1749931058275       split increased to            2  itime      453659 
   itsplit           1
- acceleration/energy drift too large   4.79902493508222     
-   17.3869582042232       split increased to            2  itime      455294 
+ acceleration/energy drift too large   5.69557924529012     
+   23.0011023299365       split increased to            2  itime      453798 
   itsplit           1
- acceleration/energy drift too large   5.09488734818662     
-   11.9938679227499       split increased to            2  itime      455806 
+Momenta zeroed out, time            90799.80
+ acceleration/energy drift too large   12.3578599830156     
+   67.8014207961809       split increased to            2  itime      454234 
   itsplit           1
+Momenta zeroed out, time            90999.80
 Momenta zeroed out, time            91199.80
- acceleration/energy drift too large   2.16957583608324     
-   13.7434759242003       split increased to            2  itime      456361 
-  itsplit           1
- acceleration/energy drift too large   4.04480417652989     
-   18.7571058144993       split increased to            2  itime      456974 
-  itsplit           1
 Momenta zeroed out, time            91399.80
- acceleration/energy drift too large   3.68182459681513     
-   22.8379056213893       split increased to            2  itime      457124 
-  itsplit           1
 Momenta zeroed out, time            91599.80
+ acceleration/energy drift too large   4.15084675132559     
+   19.6054115669872       split increased to            2  itime      458539 
+  itsplit           1
+ acceleration/energy drift too large   2.76646243423950     
+   12.5124380654994       split increased to            2  itime      458949 
+  itsplit           1
 Momenta zeroed out, time            91799.80
 Velocities reset to random values, time            91999.80
 Momenta zeroed out, time            91999.80
- acceleration/energy drift too large   3.38676040508866     
-   14.6110549635960       split increased to            2  itime      460352 
+ acceleration/energy drift too large   2.49594228591399     
+   10.2045487018650       split increased to            2  itime      460744 
   itsplit           1
- acceleration/energy drift too large   5.17463199446350     
-   32.7168165293805       split increased to            2  itime      460928 
+ acceleration/energy drift too large   4.33662229179431     
+   18.6375127391831       split increased to            2  itime      460851 
   itsplit           1
 Momenta zeroed out, time            92199.80
-Momenta zeroed out, time            92399.80
- acceleration/energy drift too large   6.35194628132082     
-   26.6206384721149       split increased to            2  itime      462081 
+ acceleration/energy drift too large   4.80331949367132     
+   11.0676345558670       split increased to            2  itime      461621 
   itsplit           1
- acceleration/energy drift too large   8.85827969871112     
-   38.6838181185106       split increased to            2  itime      462544 
+ acceleration/energy drift too large   8.61353897558495     
+   96.5034958029336       split increased to            2  itime      461980 
   itsplit           1
- acceleration/energy drift too large   3.68565951137320     
-   13.8039224712886       split increased to            2  itime      462750 
+ acceleration/energy drift too large   1.80422011474513     
+   17.5442647459183       split increased to            4  itime      461980 
   itsplit           1
-Momenta zeroed out, time            92599.80
- acceleration/energy drift too large   6.24569784981147     
-   19.2360795977460       split increased to            2  itime      463153 
+Momenta zeroed out, time            92399.80
+ acceleration/energy drift too large   11.6441465713933     
+   47.5976809735881       split increased to            2  itime      462050 
+  itsplit           1
+ acceleration/energy drift too large   4.97914706235188     
+   17.1446938898796       split increased to            2  itime      462283 
   itsplit           1
- acceleration/energy drift too large   6.03630915817743     
-   22.3194990735693       split increased to            2  itime      463381 
+ acceleration/energy drift too large   6.55950184408274     
+   23.2122209104158       split increased to            2  itime      462576 
   itsplit           1
- acceleration/energy drift too large   5.41608912143030     
-   16.9782936924726       split increased to            2  itime      463750 
+Momenta zeroed out, time            92599.80
+ acceleration/energy drift too large   4.05729416151963     
+   27.7004315516489       split increased to            2  itime      463763 
   itsplit           1
 Momenta zeroed out, time            92799.80
- acceleration/energy drift too large   4.45891355319134     
-   14.5701539485908       split increased to            2  itime      464370 
+ acceleration/energy drift too large   12.1705163459534     
+   69.2794546426033       split increased to            2  itime      464549 
+  itsplit           1
+ acceleration/energy drift too large   2.89654824599592     
+   16.1630132503882       split increased to            4  itime      464549 
+  itsplit           2
+ acceleration/energy drift too large   5.38689654686381     
+   10.4118982816075       split increased to            2  itime      464767 
   itsplit           1
 Momenta zeroed out, time            92999.80
- acceleration/energy drift too large   4.30474503952915     
-   11.0486743594072       split increased to            2  itime      465414 
+ acceleration/energy drift too large   4.89810611254839     
+   11.6223167244665       split increased to            2  itime      465081 
+  itsplit           1
+ acceleration/energy drift too large   5.58415310111131     
+   20.0044203026742       split increased to            2  itime      465914 
   itsplit           1
- acceleration/energy drift too large   5.11684153468393     
-   19.9284695801184       split increased to            2  itime      465937 
+ acceleration/energy drift too large   5.47299901272098     
+   11.1989542516698       split increased to            2  itime      465942 
   itsplit           1
 Momenta zeroed out, time            93199.80
- acceleration/energy drift too large   12.0365561590994     
-   69.2086864567728       split increased to            2  itime      466010 
+ acceleration/energy drift too large   6.70072664594263     
+   11.7010546064048       split increased to            2  itime      466607 
+  itsplit           1
+ acceleration/energy drift too large   7.87075982151090     
+   28.5482859900868       split increased to            2  itime      466712 
+  itsplit           1
+ acceleration/energy drift too large   6.37995163487923     
+   53.0621519962802       split increased to            2  itime      466719 
   itsplit           1
 Momenta zeroed out, time            93399.80
- acceleration/energy drift too large   5.02525319757538     
-   12.5980984329543       split increased to            2  itime      467568 
+ acceleration/energy drift too large   11.2842228304012     
+   65.6109569776438       split increased to            2  itime      467001 
+  itsplit           1
+ acceleration/energy drift too large   3.29007564520898     
+   10.7825753539954       split increased to            2  itime      467815 
   itsplit           1
- acceleration/energy drift too large   4.73868286675716     
-   14.8703475055828       split increased to            2  itime      467902 
+ acceleration/energy drift too large   7.92481450223570     
+   24.7932827232125       split increased to            2  itime      467906 
   itsplit           1
 Momenta zeroed out, time            93599.80
- acceleration/energy drift too large   4.19655443313730     
-   11.1981506957289       split increased to            2  itime      468085 
+ acceleration/energy drift too large   3.43179569545576     
+   14.0779957576588       split increased to            2  itime      468722 
+  itsplit           1
+ acceleration/energy drift too large   5.39817091006507     
+   35.7481076757020       split increased to            2  itime      468864 
   itsplit           1
 Momenta zeroed out, time            93799.80
- acceleration/energy drift too large   4.54537595608043     
-   10.0955927366541       split increased to            2  itime      469551 
+ acceleration/energy drift too large   5.97467377577046     
+   27.8051873034254       split increased to            2  itime      469052 
+  itsplit           1
+ acceleration/energy drift too large   4.64560823530662     
+   28.1640920356177       split increased to            2  itime      469641 
   itsplit           1
 Velocities reset to random values, time            93999.80
 Momenta zeroed out, time            93999.80
-Momenta zeroed out, time            94199.80
- acceleration/energy drift too large   15.3268083877216     
-   78.7752819068722       split increased to            2  itime      471155 
-  itsplit           1
- acceleration/energy drift too large   14.6056272155979     
-   82.9450670417657       split increased to            2  itime      471158 
+ acceleration/energy drift too large   3.62223458651813     
+   19.1800195860991       split increased to            2  itime      470418 
   itsplit           1
- acceleration/energy drift too large   2.79001542855439     
-   12.4246419732549       split increased to            4  itime      471158 
-  itsplit           2
- acceleration/energy drift too large   3.28713632824554     
-   30.8130825523805       split increased to            2  itime      471176 
-  itsplit           1
- acceleration/energy drift too large   2.83004569562783     
-   16.5508021463195       split increased to            2  itime      471238 
-  itsplit           1
- acceleration/energy drift too large   2.98754765633708     
-   28.5413771392321       split increased to            2  itime      471832 
-  itsplit           1
- acceleration/energy drift too large   3.33036125279398     
-   10.0877539585890       split increased to            2  itime      471863 
+Momenta zeroed out, time            94199.80
+ acceleration/energy drift too large   5.59112764052022     
+   11.5262189036904       split increased to            2  itime      471762 
   itsplit           1
 Momenta zeroed out, time            94399.80
- acceleration/energy drift too large   5.78263463070959     
-   12.9741443949607       split increased to            2  itime      472531 
+ acceleration/energy drift too large   6.15653677556087     
+   19.5215307275994       split increased to            2  itime      472677 
   itsplit           1
- acceleration/energy drift too large   13.0935821784825     
-   95.8522952336847       split increased to            2  itime      472590 
+ acceleration/energy drift too large   13.3107561181661     
+   66.7018045121599       split increased to            2  itime      472824 
   itsplit           1
 Momenta zeroed out, time            94599.80
- acceleration/energy drift too large   8.40283653003374     
-   20.4477700758988       split increased to            2  itime      473325 
-  itsplit           1
 Momenta zeroed out, time            94799.80
- acceleration/energy drift too large   5.03975172492037     
-   21.0988917399720       split increased to            2  itime      474641 
-  itsplit           1
- acceleration/energy drift too large   4.41223622330258     
-   16.1624154326697       split increased to            2  itime      474747 
+ acceleration/energy drift too large   2.27980003692211     
+   10.8943671322775       split increased to            2  itime      474822 
   itsplit           1
 Momenta zeroed out, time            94999.80
- acceleration/energy drift too large   3.31755242346934     
-   13.5428156200428       split increased to            2  itime      475618 
-  itsplit           1
 Momenta zeroed out, time            95199.80
- acceleration/energy drift too large   2.11355037720492     
-   10.8574530182086       split increased to            2  itime      476484 
-  itsplit           1
 Momenta zeroed out, time            95399.80
- acceleration/energy drift too large   5.55081440146260     
-   13.1742175284374       split increased to            2  itime      477359 
-  itsplit           1
- acceleration/energy drift too large   3.39357467307896     
-   10.5075231596953       split increased to            2  itime      477496 
-  itsplit           1
- acceleration/energy drift too large   6.57827632553718     
-   16.3356817075576       split increased to            2  itime      477952 
-  itsplit           1
 Momenta zeroed out, time            95599.80
- acceleration/energy drift too large   7.12484770325920     
-   19.7958754799553       split increased to            2  itime      478083 
+ acceleration/energy drift too large   2.85254254811693     
+   17.6801452962377       split increased to            2  itime      478034 
   itsplit           1
 Momenta zeroed out, time            95799.80
- acceleration/energy drift too large   4.01316248133408     
-   12.5523877561777       split increased to            2  itime      479393 
+ acceleration/energy drift too large   7.32328312497622     
+   18.6616530292222       split increased to            2  itime      479453 
   itsplit           1
- acceleration/energy drift too large   5.29594637070986     
-   11.0931939557577       split increased to            2  itime      479994 
+ acceleration/energy drift too large   6.90524623622286     
+   13.7040694834599       split increased to            2  itime      479966 
   itsplit           1
 Velocities reset to random values, time            95999.80
 Momenta zeroed out, time            95999.80
- acceleration/energy drift too large   5.83619943730521     
-   12.9764241866972       split increased to            2  itime      480772 
-  itsplit           1
- acceleration/energy drift too large   3.01439498469790     
-   14.3953493454361       split increased to            4  itime      480772 
+ acceleration/energy drift too large   6.04381904947529     
+   10.5752578113660       split increased to            2  itime      480582 
   itsplit           1
 Momenta zeroed out, time            96199.80
+ acceleration/energy drift too large   5.56515770198024     
+   24.6903058892809       split increased to            2  itime      481698 
+  itsplit           1
+ acceleration/energy drift too large   7.40105142053455     
+   47.5838180519145       split increased to            2  itime      481799 
+  itsplit           1
 Momenta zeroed out, time            96399.80
-Momenta zeroed out, time            96599.80
-Momenta zeroed out, time            96799.80
- acceleration/energy drift too large   5.68865572070163     
-   13.0523239572830       split increased to            2  itime      484410 
+ acceleration/energy drift too large   4.43349138402870     
+   14.6977991557063       split increased to            2  itime      482655 
   itsplit           1
- acceleration/energy drift too large   6.49195651271266     
-   23.7275304083655       split increased to            2  itime      484471 
+ acceleration/energy drift too large   2.64816297350021     
+   20.0943735682503       split increased to            2  itime      482786 
+  itsplit           1
+Momenta zeroed out, time            96599.80
+ acceleration/energy drift too large   2.49492099445692     
+   10.5285407074580       split increased to            2  itime      483266 
   itsplit           1
- acceleration/energy drift too large   11.7761113831656     
-   53.6508418398160       split increased to            2  itime      484888 
+ acceleration/energy drift too large   5.00164052178877     
+   11.2524123227792       split increased to            2  itime      483407 
   itsplit           1
+Momenta zeroed out, time            96799.80
 Momenta zeroed out, time            96999.80
+ acceleration/energy drift too large   4.98840821760789     
+   16.3740384548008       split increased to            2  itime      485374 
+  itsplit           1
 Momenta zeroed out, time            97199.80
 Momenta zeroed out, time            97399.80
- acceleration/energy drift too large   3.98331554057640     
-   10.6923880257716       split increased to            2  itime      487683 
-  itsplit           1
 Momenta zeroed out, time            97599.80
- acceleration/energy drift too large   6.26581938205398     
-   44.0760425150630       split increased to            2  itime      488522 
-  itsplit           1
- acceleration/energy drift too large   2.86873510492166     
-   10.5745152416983       split increased to            2  itime      488647 
-  itsplit           1
 Momenta zeroed out, time            97799.80
- acceleration/energy drift too large   1.89794602308865     
-   11.8224490285787       split increased to            2  itime      489895 
+ acceleration/energy drift too large   4.38388409376210     
+   13.8359541637457       split increased to            2  itime      489169 
+  itsplit           1
+ acceleration/energy drift too large   8.57664589696321     
+   25.1709597512354       split increased to            2  itime      489542 
   itsplit           1
 Velocities reset to random values, time            97999.80
 Momenta zeroed out, time            97999.80
-Momenta zeroed out, time            98199.80
- acceleration/energy drift too large   10.1103312291933     
-   41.8591825362349       split increased to            2  itime      491000 
-  itsplit           1
- acceleration/energy drift too large   4.20031596569594     
-   11.5363574969302       split increased to            2  itime      491001 
-  itsplit           1
- acceleration/energy drift too large   8.92178746137453     
-   28.1050306327586       split increased to            2  itime      491055 
-  itsplit           1
- acceleration/energy drift too large   5.88303075181244     
-   13.5700334718139       split increased to            2  itime      491478 
-  itsplit           1
- acceleration/energy drift too large   5.73261088228838     
-   11.7745257375038       split increased to            2  itime      491878 
+ acceleration/energy drift too large   8.10680830910747     
+   28.1786985558330       split increased to            2  itime      490538 
   itsplit           1
+Momenta zeroed out, time            98199.80
 Momenta zeroed out, time            98399.80
- acceleration/energy drift too large   3.07606706585348     
-   12.3624872404659       split increased to            2  itime      492087 
-  itsplit           1
- acceleration/energy drift too large   2.23473460325406     
-   16.9292039849459       split increased to            2  itime      492178 
-  itsplit           1
- acceleration/energy drift too large   11.2078031344582     
-   73.9274167141811       split increased to            2  itime      492192 
-  itsplit           1
- acceleration/energy drift too large   4.99058080344193     
-   17.1874662860821       split increased to            2  itime      492396 
-  itsplit           1
 Momenta zeroed out, time            98599.80
 Momenta zeroed out, time            98799.80
- acceleration/energy drift too large   5.40485928542351     
-   10.4054232197982       split increased to            2  itime      494058 
-  itsplit           1
- acceleration/energy drift too large   7.69965988609964     
-   23.6950759951859       split increased to            2  itime      494122 
+Momenta zeroed out, time            98999.80
+ acceleration/energy drift too large   3.15085873828362     
+   20.0519250996430       split increased to            2  itime      495373 
   itsplit           1
- acceleration/energy drift too large   5.60146167229511     
-   31.5365457578854       split increased to            2  itime      494170 
+ acceleration/energy drift too large   4.53432842748404     
+   17.5509831534958       split increased to            2  itime      495444 
   itsplit           1
-Momenta zeroed out, time            98999.80
 Momenta zeroed out, time            99199.80
- acceleration/energy drift too large   2.91077333008783     
-   19.0225545420023       split increased to            2  itime      496243 
+ acceleration/energy drift too large   4.03622909676220     
+   11.9390595192490       split increased to            2  itime      496091 
   itsplit           1
- acceleration/energy drift too large   10.3066050005257     
-   35.3919379972044       split increased to            2  itime      496850 
+ acceleration/energy drift too large   3.42055696168524     
+   10.9227757792380       split increased to            2  itime      496311 
   itsplit           1
 Momenta zeroed out, time            99399.80
- acceleration/energy drift too large   4.11092660122801     
-   16.8756280014157       split increased to            2  itime      497388 
-  itsplit           1
- acceleration/energy drift too large   7.54208389869567     
-   22.4987211861271       split increased to            2  itime      497705 
-  itsplit           1
 Momenta zeroed out, time            99599.80
- acceleration/energy drift too large   5.71035397085149     
-   23.6100960938795       split increased to            2  itime      498742 
-  itsplit           1
 Momenta zeroed out, time            99799.80
- acceleration/energy drift too large   5.07007656195807     
-   21.2903269706698       split increased to            2  itime      499819 
-  itsplit           1
- acceleration/energy drift too large   5.58830209769216     
-   14.5791556139467       split increased to            2  itime      499987 
-  itsplit           1
- acceleration/energy drift too large   3.68981857723985     
-   10.5891556197276       split increased to            2  itime      499988 
-  itsplit           1
- acceleration/energy drift too large   3.96098164678080     
-   12.1542844848329       split increased to            2  itime      499993 
+ acceleration/energy drift too large   5.91132626946265     
+   40.0602924378552       split increased to            2  itime      499083 
   itsplit           1
 Velocities reset to random values, time            99999.80
 Momenta zeroed out, time            99999.80
- acceleration/energy drift too large   5.11550191440571     
-   13.8864539343548       split increased to            2  itime      500086 
-  itsplit           1
- acceleration/energy drift too large   6.38402384316395     
-   15.9069279994505       split increased to            2  itime      500609 
-  itsplit           1
- acceleration/energy drift too large   5.45205989244750     
-   24.6426902691130       split increased to            2  itime      500847 
-  itsplit           1
- acceleration/energy drift too large   6.08489515168926     
-   54.3301192948421       split increased to            2  itime      500978 
-  itsplit           1
- acceleration/energy drift too large   3.08002835892366     
-   14.8850395773512       split increased to            2  itime      500979 
-  itsplit           1
 Momenta zeroed out, time           100199.80
- acceleration/energy drift too large   6.81141657448246     
-   14.7154136105624       split increased to            2  itime      501015 
-  itsplit           1
- acceleration/energy drift too large   10.1870456665728     
-   48.0996510030738       split increased to            2  itime      501667 
-  itsplit           1
- acceleration/energy drift too large   4.59707906720584     
-   31.7714796460251       split increased to            2  itime      501668 
-  itsplit           1
- acceleration/energy drift too large   3.15352160267478     
-   27.0040071310145       split increased to            2  itime      501867 
-  itsplit           1
 Momenta zeroed out, time           100399.80
- acceleration/energy drift too large   3.90650095340412     
-   24.7940081169951       split increased to            2  itime      502961 
+ acceleration/energy drift too large   4.38244352273911     
+   15.1460648829854       split increased to            2  itime      502714 
   itsplit           1
 Momenta zeroed out, time           100599.80
- acceleration/energy drift too large   1.83063039191678     
-   10.2157733155572       split increased to            2  itime      503009 
-  itsplit           1
- acceleration/energy drift too large   1.28837180780358     
-   11.5061871560029       split increased to            2  itime      503010 
-  itsplit           1
- acceleration/energy drift too large   8.88160625559739     
-   37.6077438103498       split increased to            2  itime      503445 
-  itsplit           1
- acceleration/energy drift too large   4.41952518593686     
-   11.2981556378128       split increased to            2  itime      503796 
+ acceleration/energy drift too large   3.74154606472753     
+   10.3287184190682       split increased to            2  itime      503913 
   itsplit           1
 Momenta zeroed out, time           100799.80
 Momenta zeroed out, time           100999.80
-Momenta zeroed out, time           101199.80
- acceleration/energy drift too large   4.61789496488146     
-   10.8869002039363       split increased to            2  itime      506731 
+ acceleration/energy drift too large   4.89697356130839     
+   10.7949295849851       split increased to            2  itime      505053 
   itsplit           1
- acceleration/energy drift too large   2.91807418310998     
-   10.1360894575140       split increased to            2  itime      506772 
+Momenta zeroed out, time           101199.80
+ acceleration/energy drift too large   3.20706824642188     
+   10.3809883430754       split increased to            2  itime      506035 
   itsplit           1
 Momenta zeroed out, time           101399.80
- acceleration/energy drift too large   6.71843205217515     
-   39.7313011445523       split increased to            2  itime      507907 
-  itsplit           1
- acceleration/energy drift too large   1.70682805987876     
-   14.3343090120685       split increased to            4  itime      507907 
+ acceleration/energy drift too large   4.73675602979556     
+   26.7504316578715       split increased to            2  itime      507909 
   itsplit           1
 Momenta zeroed out, time           101599.80
- acceleration/energy drift too large   2.88883111298985     
-   21.1733262036342       split increased to            2  itime      508660 
-  itsplit           1
- acceleration/energy drift too large   3.94368260661252     
-   17.1814578514022       split increased to            2  itime      508662 
+ acceleration/energy drift too large   5.16990377231375     
+   25.4645939112747       split increased to            2  itime      508422 
   itsplit           1
 Momenta zeroed out, time           101799.80
 Velocities reset to random values, time           101999.80
 Momenta zeroed out, time           101999.80
- acceleration/energy drift too large   4.05628502494359     
-   15.9381756394805       split increased to            2  itime      510047 
+ acceleration/energy drift too large   4.37775090241035     
+   25.1748818418728       split increased to            2  itime      510937 
   itsplit           1
 Momenta zeroed out, time           102199.80
- acceleration/energy drift too large   3.96041412531263     
-   26.7772711206586       split increased to            2  itime      511470 
+ acceleration/energy drift too large   5.14161209440193     
+   10.1217441222992       split increased to            2  itime      511244 
   itsplit           1
- acceleration/energy drift too large   1.61024101996497     
-   15.7512699496911       split increased to            2  itime      511587 
+ acceleration/energy drift too large   7.75789611838526     
+   24.4537821296824       split increased to            2  itime      511712 
   itsplit           1
- acceleration/energy drift too large   10.4023688331442     
-   55.8095289336196       split increased to            2  itime      511642 
-  itsplit           1
- acceleration/energy drift too large   4.64410457981914     
-   19.6624142677360       split increased to            2  itime      511700 
-  itsplit           1
- acceleration/energy drift too large   5.03145602945758     
-   11.9820344615867       split increased to            2  itime      511783 
-  itsplit           1
- acceleration/energy drift too large   6.89555924826049     
-   35.2944025714272       split increased to            2  itime      511868 
+ acceleration/energy drift too large   2.97999368607237     
+   15.6378424509508       split increased to            2  itime      511713 
   itsplit           1
 Momenta zeroed out, time           102399.80
- acceleration/energy drift too large   3.98274311010211     
-   14.3336015367505       split increased to            2  itime      512067 
+ acceleration/energy drift too large   7.42713531045286     
+   29.0684912350749       split increased to            2  itime      512662 
   itsplit           1
- acceleration/energy drift too large   3.80540467044951     
-   15.4972658820564       split increased to            2  itime      512600 
+ acceleration/energy drift too large   4.62660865637831     
+   28.6093818601054       split increased to            2  itime      512868 
   itsplit           1
 Momenta zeroed out, time           102599.80
- acceleration/energy drift too large   2.89128404856841     
-   17.2030103304879       split increased to            2  itime      513092 
-  itsplit           1
- acceleration/energy drift too large   3.40955367937999     
-   20.1954776817190       split increased to            2  itime      513200 
+ acceleration/energy drift too large   6.33924621113828     
+   36.8635933547547       split increased to            2  itime      513179 
   itsplit           1
- acceleration/energy drift too large   5.91556761807750     
-   13.4576066873491       split increased to            2  itime      513265 
+ acceleration/energy drift too large   5.47777774026251     
+   13.0945359928824       split increased to            2  itime      513272 
   itsplit           1
- acceleration/energy drift too large   4.72550646519920     
-   12.5769304916713       split increased to            2  itime      513320 
+ acceleration/energy drift too large   3.90681325971315     
+   12.0322986505762       split increased to            2  itime      513605 
   itsplit           1
- acceleration/energy drift too large   5.06120751115502     
-   17.3082038790455       split increased to            2  itime      513352 
+ acceleration/energy drift too large   3.62025099310307     
+   11.9367721010804       split increased to            2  itime      513851 
   itsplit           1
 Momenta zeroed out, time           102799.80
- acceleration/energy drift too large   3.16887169238079     
-   11.0577822555753       split increased to            2  itime      514271 
+ acceleration/energy drift too large   5.33212455147316     
+   12.5771322868563       split increased to            2  itime      514602 
   itsplit           1
- acceleration/energy drift too large   3.40828223481065     
-   10.2788870618828       split increased to            2  itime      514351 
+Momenta zeroed out, time           102999.80
+ acceleration/energy drift too large   3.79714838295965     
+   10.6270493129032       split increased to            2  itime      515743 
   itsplit           1
- acceleration/energy drift too large   6.20443592151764     
-   30.4142141412063       split increased to            2  itime      514581 
+Momenta zeroed out, time           103199.80
+ acceleration/energy drift too large   4.60257019476961     
+   10.0440314232596       split increased to            2  itime      516552 
   itsplit           1
-Momenta zeroed out, time           102999.80
- acceleration/energy drift too large   5.29304614198081     
-   19.9123260930783       split increased to            2  itime      515269 
+Momenta zeroed out, time           103399.80
+ acceleration/energy drift too large   7.80952792085425     
+   40.6545264104555       split increased to            2  itime      517166 
   itsplit           1
- acceleration/energy drift too large   4.71857363263545     
-   10.5672963171851       split increased to            2  itime      515799 
+ acceleration/energy drift too large   12.4053415718217     
+   40.2345499970452       split increased to            2  itime      517323 
   itsplit           1
- acceleration/energy drift too large   7.82249122671164     
-   17.8657582801255       split increased to            2  itime      515993 
+ acceleration/energy drift too large   18.1008895832817     
+   118.638374056437       split increased to            2  itime      517399 
   itsplit           1
-Momenta zeroed out, time           103199.80
- acceleration/energy drift too large   11.9816193062293     
-   47.5971518821223       split increased to            2  itime      516018 
+ acceleration/energy drift too large   2.85769836592886     
+   13.8792582656747       split increased to            4  itime      517399 
+  itsplit           2
+ acceleration/energy drift too large   2.35981833966908     
+   13.3789757910536       split increased to            2  itime      517971 
   itsplit           1
-Momenta zeroed out, time           103399.80
 Momenta zeroed out, time           103599.80
-Momenta zeroed out, time           103799.80
- acceleration/energy drift too large   5.09619372485752     
-   17.2709609780334       split increased to            2  itime      519295 
-  itsplit           1
- acceleration/energy drift too large   4.91093621389113     
-   24.4609326262279       split increased to            2  itime      519744 
+ acceleration/energy drift too large   9.09000550235206     
+   57.6887084294616       split increased to            2  itime      518946 
   itsplit           1
+ acceleration/energy drift too large   2.09834098785541     
+   11.8684608244950       split increased to            4  itime      518946 
+  itsplit           2
+Momenta zeroed out, time           103799.80
 Velocities reset to random values, time           103999.80
 Momenta zeroed out, time           103999.80
- acceleration/energy drift too large   6.08665761609158     
-   16.0241025377406       split increased to            2  itime      520071 
+ acceleration/energy drift too large   4.76695119650693     
+   16.1883144797261       split increased to            2  itime      520740 
   itsplit           1
 Momenta zeroed out, time           104199.80
- acceleration/energy drift too large   6.74963899662886     
-   23.4743416310690       split increased to            2  itime      521119 
+ acceleration/energy drift too large   4.36783380653143     
+   24.2673301866528       split increased to            2  itime      521117 
+  itsplit           1
+ acceleration/energy drift too large   6.79107766095531     
+   15.6377896647502       split increased to            2  itime      521895 
   itsplit           1
 Momenta zeroed out, time           104399.80
- acceleration/energy drift too large   5.12456121196397     
-   11.3231512372565       split increased to            2  itime      522207 
+ acceleration/energy drift too large   5.00458033061279     
+   10.4063103202457       split increased to            2  itime      522035 
   itsplit           1
-Momenta zeroed out, time           104599.80
- acceleration/energy drift too large   12.3209156969627     
-   67.7246420296342       split increased to            2  itime      523020 
+ acceleration/energy drift too large   4.63713603441373     
+   10.8930298541070       split increased to            2  itime      522355 
   itsplit           1
- acceleration/energy drift too large   3.52999606034375     
-   10.0138530766278       split increased to            2  itime      523309 
+ acceleration/energy drift too large   7.86091348269795     
+   14.1432469691435       split increased to            2  itime      522501 
   itsplit           1
- acceleration/energy drift too large   6.67986520972501     
-   15.6439519916165       split increased to            2  itime      523681 
+Momenta zeroed out, time           104599.80
+Momenta zeroed out, time           104799.80
+ acceleration/energy drift too large   2.04808798090552     
+   10.2671112783682       split increased to            2  itime      524073 
   itsplit           1
- acceleration/energy drift too large   4.56787189891653     
-   22.5638392360338       split increased to            2  itime      523961 
+ acceleration/energy drift too large   4.42786490578557     
+   12.3111463572241       split increased to            2  itime      524945 
   itsplit           1
-Momenta zeroed out, time           104799.80
 Momenta zeroed out, time           104999.80
- acceleration/energy drift too large   6.72121038850104     
-   40.5276526498443       split increased to            2  itime      525320 
+ acceleration/energy drift too large   4.11875136709801     
+   12.9435089675483       split increased to            2  itime      525918 
   itsplit           1
 Momenta zeroed out, time           105199.80
 Momenta zeroed out, time           105399.80
- acceleration/energy drift too large   3.59269514129310     
-   12.7127960862793       split increased to            2  itime      527322 
-  itsplit           1
 Momenta zeroed out, time           105599.80
- acceleration/energy drift too large   11.1988070891104     
-   55.9347711843575       split increased to            2  itime      528230 
-  itsplit           1
- acceleration/energy drift too large   1.67044997479097     
-   10.6697331623403       split increased to            2  itime      528265 
-  itsplit           1
- acceleration/energy drift too large   5.64513358703977     
-   17.5563022443975       split increased to            2  itime      528550 
+Momenta zeroed out, time           105799.80
+ acceleration/energy drift too large   4.61255268711723     
+   11.8317860243203       split increased to            2  itime      529411 
   itsplit           1
- acceleration/energy drift too large   3.42310540903589     
-   24.2525589080383       split increased to            2  itime      528620 
+ acceleration/energy drift too large   4.85339549516640     
+   15.2104201732946       split increased to            2  itime      529563 
   itsplit           1
-Momenta zeroed out, time           105799.80
 Velocities reset to random values, time           105999.80
 Momenta zeroed out, time           105999.80
-Momenta zeroed out, time           106199.80
-Momenta zeroed out, time           106399.80
- acceleration/energy drift too large   4.65044885901636     
-   13.9257154865958       split increased to            2  itime      532332 
+ acceleration/energy drift too large   4.88370033578126     
+   11.5854907349939       split increased to            2  itime      530059 
   itsplit           1
- acceleration/energy drift too large   6.24749762096604     
-   10.0093023115922       split increased to            2  itime      532510 
+ acceleration/energy drift too large   4.42597980853559     
+   12.1152912289253       split increased to            2  itime      530221 
   itsplit           1
- acceleration/energy drift too large   5.45815391755335     
-   13.9673525219646       split increased to            2  itime      532902 
+ acceleration/energy drift too large   6.29502695058368     
+   17.6443179553428       split increased to            2  itime      530233 
   itsplit           1
+Momenta zeroed out, time           106199.80
+Momenta zeroed out, time           106399.80
 Momenta zeroed out, time           106599.80
- acceleration/energy drift too large   5.46894468685061     
-   16.5535056052177       split increased to            2  itime      533250 
+ acceleration/energy drift too large   6.40386963533072     
+   10.8637697435352       split increased to            2  itime      533506 
   itsplit           1
 Momenta zeroed out, time           106799.80
- acceleration/energy drift too large   2.28830445995870     
-   13.3104331864238       split increased to            2  itime      534000 
-  itsplit           1
- acceleration/energy drift too large   6.96366039805669     
-   33.8339533061564       split increased to            2  itime      534666 
+ acceleration/energy drift too large   6.24380702600017     
+   12.3871626293013       split increased to            2  itime      534498 
   itsplit           1
- acceleration/energy drift too large   6.85559601015783     
-   13.0320949266141       split increased to            2  itime      534796 
-  itsplit           1
- acceleration/energy drift too large   4.10614107984544     
-   16.1052697052144       split increased to            2  itime      534821 
+ acceleration/energy drift too large   4.23080444792975     
+   21.6477282827632       split increased to            2  itime      534855 
   itsplit           1
 Momenta zeroed out, time           106999.80
- acceleration/energy drift too large   3.21117506224475     
-   14.8369194286613       split increased to            2  itime      535377 
+ acceleration/energy drift too large   5.60972877194003     
+   26.3014836607594       split increased to            2  itime      535193 
   itsplit           1
- acceleration/energy drift too large   11.5667573401409     
-   57.9734801490411       split increased to            2  itime      535414 
+ acceleration/energy drift too large   3.62499373335746     
+   11.0345926547089       split increased to            2  itime      535712 
   itsplit           1
- acceleration/energy drift too large   2.36490740028483     
-   10.9150787407042       split increased to            4  itime      535414 
-  itsplit           2
- acceleration/energy drift too large   3.84219675311344     
-   20.2768984714099       split increased to            2  itime      535654 
+ acceleration/energy drift too large   3.55694100998221     
+   13.7742822262727       split increased to            2  itime      535713 
   itsplit           1
 Momenta zeroed out, time           107199.80
- acceleration/energy drift too large   3.53295433688494     
-   17.2159807670884       split increased to            2  itime      536528 
-  itsplit           1
 Momenta zeroed out, time           107399.80
- acceleration/energy drift too large   4.36524474950683     
-   10.8575486260456       split increased to            2  itime      537187 
-  itsplit           1
 Momenta zeroed out, time           107599.80
- acceleration/energy drift too large   6.52648232132665     
-   21.8972443440881       split increased to            2  itime      538126 
+ acceleration/energy drift too large   4.85257103143137     
+   30.7718518919015       split increased to            2  itime      538236 
+  itsplit           1
+ acceleration/energy drift too large   3.19883386211545     
+   10.2726941342273       split increased to            2  itime      538237 
+  itsplit           1
+ acceleration/energy drift too large   6.21883091314696     
+   35.3906049865588       split increased to            2  itime      538252 
+  itsplit           1
+ acceleration/energy drift too large   4.90824858751601     
+   16.6356064429277       split increased to            2  itime      538253 
   itsplit           1
- acceleration/energy drift too large   4.10142471616682     
-   13.2636679909824       split increased to            2  itime      538593 
+ acceleration/energy drift too large   6.40609764980584     
+   33.5928544876074       split increased to            2  itime      538417 
   itsplit           1
 Momenta zeroed out, time           107799.80
 Velocities reset to random values, time           107999.80
 Momenta zeroed out, time           107999.80
- acceleration/energy drift too large   16.2790465624495     
-   88.5269608845465       split increased to            2  itime      540185 
+ acceleration/energy drift too large   9.66201083597612     
+   35.0343510995770       split increased to            2  itime      540226 
   itsplit           1
-Momenta zeroed out, time           108199.80
- acceleration/energy drift too large   4.85205010313750     
-   22.5502022374367       split increased to            2  itime      541401 
+ acceleration/energy drift too large   3.08955178605356     
+   11.4024937449928       split increased to            2  itime      540227 
+  itsplit           1
+ acceleration/energy drift too large   5.02939913001801     
+   27.9458654845651       split increased to            2  itime      540448 
   itsplit           1
- acceleration/energy drift too large   6.26400015213072     
-   19.6726370389657       split increased to            2  itime      541657 
+ acceleration/energy drift too large   3.56956018807301     
+   14.7939469558561       split increased to            2  itime      540449 
   itsplit           1
- acceleration/energy drift too large   3.86745984048463     
-   20.7575672615899       split increased to            2  itime      541919 
+ acceleration/energy drift too large   8.63448139945131     
+   56.5054663814695       split increased to            2  itime      540968 
   itsplit           1
+Momenta zeroed out, time           108199.80
 Momenta zeroed out, time           108399.80
+ acceleration/energy drift too large   14.8680376281889     
+   65.7174471910239       split increased to            2  itime      542674 
+  itsplit           1
+ acceleration/energy drift too large   7.28107392317303     
+   21.2636127355077       split increased to            2  itime      542777 
+  itsplit           1
 Momenta zeroed out, time           108599.80
- acceleration/energy drift too large   5.38616062130619     
-   20.3025692112319       split increased to            2  itime      543096 
+ acceleration/energy drift too large   5.85373269753616     
+   15.7724840512370       split increased to            2  itime      543186 
   itsplit           1
-Momenta zeroed out, time           108799.80
- acceleration/energy drift too large   3.00938890361079     
-   11.3018500906685       split increased to            2  itime      544406 
+ acceleration/energy drift too large   2.78925355819593     
+   13.8915538733651       split increased to            2  itime      543191 
+  itsplit           1
+ acceleration/energy drift too large   6.25182304160922     
+   23.4881767771124       split increased to            2  itime      543380 
   itsplit           1
+Momenta zeroed out, time           108799.80
 Momenta zeroed out, time           108999.80
- acceleration/energy drift too large   10.2481978499248     
-   58.3358387551454       split increased to            2  itime      545259 
+ acceleration/energy drift too large   3.18966856828756     
+   10.8203015264299       split increased to            2  itime      545159 
   itsplit           1
- acceleration/energy drift too large   7.62546221385687     
-   21.4077544218492       split increased to            2  itime      545420 
+ acceleration/energy drift too large   5.72244520222387     
+   12.5118940624702       split increased to            2  itime      545288 
   itsplit           1
 Momenta zeroed out, time           109199.80
- acceleration/energy drift too large   4.92035301060869     
-   14.4614465245535       split increased to            2  itime      546729 
-  itsplit           1
 Momenta zeroed out, time           109399.80
+ acceleration/energy drift too large   8.00994094195775     
+   15.2399584705307       split increased to            2  itime      547342 
+  itsplit           1
+ acceleration/energy drift too large   6.26797454878505     
+   18.6371542709677       split increased to            2  itime      547349 
+  itsplit           1
+ acceleration/energy drift too large   4.73470050153250     
+   16.7226593991192       split increased to            2  itime      547501 
+  itsplit           1
 Momenta zeroed out, time           109599.80
- acceleration/energy drift too large   4.90519391370087     
-   13.0084996246594       split increased to            2  itime      548185 
+ acceleration/energy drift too large   3.16239127047332     
+   11.0934113512846       split increased to            2  itime      548210 
+  itsplit           1
+ acceleration/energy drift too large   4.02206896493784     
+   16.6517939436706       split increased to            2  itime      548300 
   itsplit           1
- acceleration/energy drift too large   9.13099241411611     
-   33.6787322369771       split increased to            2  itime      548304 
+ acceleration/energy drift too large   4.59734166962932     
+   12.9369535086193       split increased to            2  itime      548303 
+  itsplit           1
+ acceleration/energy drift too large   6.20607801995176     
+   13.1880471733191       split increased to            2  itime      548305 
+  itsplit           1
+ acceleration/energy drift too large   2.83763052636931     
+   11.7303559531959       split increased to            2  itime      548306 
+  itsplit           1
+ acceleration/energy drift too large   3.97385805596288     
+   11.5442439271607       split increased to            2  itime      548313 
+  itsplit           1
+ acceleration/energy drift too large   4.20733277560555     
+   13.1485533043837       split increased to            2  itime      548315 
+  itsplit           1
+ acceleration/energy drift too large   5.29472760450872     
+   12.4895388076387       split increased to            2  itime      548317 
+  itsplit           1
+ acceleration/energy drift too large   3.38005710227576     
+   15.6568244607032       split increased to            2  itime      548318 
+  itsplit           1
+ acceleration/energy drift too large   6.97455698206433     
+   13.8547202932159       split increased to            2  itime      548319 
+  itsplit           1
+ acceleration/energy drift too large   3.94284520537688     
+   17.8590632647536       split increased to            2  itime      548320 
+  itsplit           1
+ acceleration/energy drift too large   1.86934840270770     
+   10.7569396641121       split increased to            2  itime      548323 
+  itsplit           1
+ acceleration/energy drift too large   4.67579822272730     
+   18.9170395843602       split increased to            2  itime      548324 
+  itsplit           1
+ acceleration/energy drift too large   3.47108461873866     
+   10.9077708975338       split increased to            2  itime      548337 
+  itsplit           1
+ acceleration/energy drift too large   2.96645819925809     
+   11.8596403279809       split increased to            2  itime      548341 
+  itsplit           1
+ acceleration/energy drift too large   3.50533919008165     
+   12.6069043518619       split increased to            2  itime      548342 
+  itsplit           1
+ acceleration/energy drift too large   5.27338560531609     
+   10.4643217484464       split increased to            2  itime      548405 
+  itsplit           1
+ acceleration/energy drift too large   4.81905109772301     
+   10.6389746539005       split increased to            2  itime      548413 
   itsplit           1
 Momenta zeroed out, time           109799.80
-Velocities reset to random values, time           109999.80
-Momenta zeroed out, time           109999.80
- acceleration/energy drift too large   5.42473782073992     
-   14.8869896677660       split increased to            2  itime      550900 
+ acceleration/energy drift too large   10.8901644264842     
+   42.2366143934591       split increased to            2  itime      549163 
   itsplit           1
-Momenta zeroed out, time           110199.80
- acceleration/energy drift too large   5.21678837119778     
-   12.1380378315647       split increased to            2  itime      551099 
+ acceleration/energy drift too large   6.58846262840164     
+   12.8308314167489       split increased to            2  itime      549213 
   itsplit           1
- acceleration/energy drift too large   7.71124256391189     
-   23.8227378784826       split increased to            2  itime      551206 
+ acceleration/energy drift too large   5.71906883927206     
+   15.1559935037592       split increased to            2  itime      549450 
   itsplit           1
- acceleration/energy drift too large   2.60246809378184     
-   16.4167606855356       split increased to            2  itime      551811 
+ acceleration/energy drift too large   7.70301351199065     
+   19.3561912566508       split increased to            2  itime      549498 
   itsplit           1
+ acceleration/energy drift too large   3.29753727780070     
+   12.4288761439583       split increased to            2  itime      549499 
+  itsplit           1
+Velocities reset to random values, time           109999.80
+Momenta zeroed out, time           109999.80
+ acceleration/energy drift too large   6.93775332534631     
+   18.3365485856885       split increased to            2  itime      550314 
+  itsplit           1
+Momenta zeroed out, time           110199.80
 Momenta zeroed out, time           110399.80
- acceleration/energy drift too large   4.36746584480609     
-   15.1996707803637       split increased to            2  itime      552739 
+ acceleration/energy drift too large   5.40122111880101     
+   19.7639425870113       split increased to            2  itime      552485 
+  itsplit           1
+ acceleration/energy drift too large   4.93017705039695     
+   11.3757413087892       split increased to            2  itime      552692 
   itsplit           1
 Momenta zeroed out, time           110599.80
- acceleration/energy drift too large   3.68105542742738     
-   11.0731591134161       split increased to            2  itime      553459 
+ acceleration/energy drift too large   9.69910632901188     
+   37.8986071181244       split increased to            2  itime      553427 
+  itsplit           1
+ acceleration/energy drift too large   12.9033741614177     
+   58.0126543992971       split increased to            2  itime      553528 
   itsplit           1
- acceleration/energy drift too large   2.72712212165506     
-   11.9584631763737       split increased to            2  itime      553620 
+ acceleration/energy drift too large   3.67182166061854     
+   11.6692489261286       split increased to            2  itime      553968 
   itsplit           1
 Momenta zeroed out, time           110799.80
+ acceleration/energy drift too large   7.45831582349586     
+   37.8719960538994       split increased to            2  itime      554917 
+  itsplit           1
 Momenta zeroed out, time           110999.80
- acceleration/energy drift too large   5.30031787803843     
-   16.0819693725601       split increased to            2  itime      555783 
+ acceleration/energy drift too large   8.10198407591444     
+   31.2680299739134       split increased to            2  itime      555659 
   itsplit           1
 Momenta zeroed out, time           111199.80
+ acceleration/energy drift too large   5.28015150543484     
+   15.5845688850605       split increased to            2  itime      556059 
+  itsplit           1
+ acceleration/energy drift too large   3.94409557427979     
+   16.8661997760728       split increased to            2  itime      556184 
+  itsplit           1
+ acceleration/energy drift too large   4.45205987261800     
+   16.1566554217221       split increased to            2  itime      556264 
+  itsplit           1
+ acceleration/energy drift too large   3.39758462312188     
+   10.0041095040712       split increased to            2  itime      556287 
+  itsplit           1
+ acceleration/energy drift too large   4.82166131436671     
+   28.9893070997347       split increased to            2  itime      556359 
+  itsplit           1
+ acceleration/energy drift too large   11.9620787229648     
+   60.8848371918896       split increased to            2  itime      556453 
+  itsplit           1
+ acceleration/energy drift too large   2.86982666276669     
+   14.2222581434173       split increased to            4  itime      556453 
+  itsplit           2
+ acceleration/energy drift too large   3.49111295359797     
+   13.0322888363736       split increased to            2  itime      556593 
+  itsplit           1
+ acceleration/energy drift too large   2.58308594546845     
+   10.5498184398770       split increased to            2  itime      556616 
+  itsplit           1
+ acceleration/energy drift too large   5.61466729716407     
+   22.1172200196710       split increased to            2  itime      556810 
+  itsplit           1
 Momenta zeroed out, time           111399.80
- acceleration/energy drift too large   2.12985671431881     
-   12.0832445947507       split increased to            2  itime      557502 
+ acceleration/energy drift too large   5.12917536229250     
+   25.5838491638380       split increased to            2  itime      557310 
+  itsplit           1
+ acceleration/energy drift too large   6.18662044080659     
+   19.4832116132694       split increased to            2  itime      557443 
+  itsplit           1
+ acceleration/energy drift too large   4.61511830367742     
+   10.3596280485212       split increased to            2  itime      557719 
   itsplit           1
 Momenta zeroed out, time           111599.80
- acceleration/energy drift too large   2.32408730890403     
-   10.4938205247229       split increased to            2  itime      558200 
+ acceleration/energy drift too large   6.94163664053803     
+   20.6776947600941       split increased to            2  itime      558020 
+  itsplit           1
+ acceleration/energy drift too large   10.4822126694315     
+   48.1421905620395       split increased to            2  itime      558176 
+  itsplit           1
+ acceleration/energy drift too large   3.08972097438603     
+   12.8415538536308       split increased to            2  itime      558936 
   itsplit           1
 Momenta zeroed out, time           111799.80
- acceleration/energy drift too large   4.43414405233984     
-   21.0385806744089       split increased to            2  itime      559240 
+ acceleration/energy drift too large   2.87091734667958     
+   15.4403222021825       split increased to            2  itime      559095 
+  itsplit           1
+ acceleration/energy drift too large   9.12500913042990     
+   40.5069115883833       split increased to            2  itime      559110 
   itsplit           1
- acceleration/energy drift too large   6.95526816182908     
-   23.6415866420695       split increased to            2  itime      559721 
+ acceleration/energy drift too large   5.75708805326401     
+   30.5640573152103       split increased to            2  itime      559332 
+  itsplit           1
+ acceleration/energy drift too large   5.60643280659613     
+   41.7989367436330       split increased to            2  itime      559578 
+  itsplit           1
+ acceleration/energy drift too large   3.15837015450555     
+   17.5652677721998       split increased to            2  itime      559684 
   itsplit           1
 Velocities reset to random values, time           111999.80
 Momenta zeroed out, time           111999.80
- acceleration/energy drift too large   3.71819191630977     
-   11.7567872137794       split increased to            2  itime      560018 
+ acceleration/energy drift too large   6.67093674916164     
+   21.1166365730673       split increased to            2  itime      560305 
+  itsplit           1
+ acceleration/energy drift too large   5.12934054432542     
+   10.0442633574058       split increased to            2  itime      560480 
+  itsplit           1
+ acceleration/energy drift too large   5.11663250608990     
+   13.3270395990005       split increased to            2  itime      560900 
   itsplit           1
 Momenta zeroed out, time           112199.80
- acceleration/energy drift too large   2.76037764964691     
-   16.9350332806386       split increased to            2  itime      561229 
+ acceleration/energy drift too large   7.51792595507009     
+   36.8142232840017       split increased to            2  itime      561227 
   itsplit           1
-Momenta zeroed out, time           112399.80
- acceleration/energy drift too large   2.62486378636810     
-   13.5724367356802       split increased to            2  itime      562726 
+ acceleration/energy drift too large   3.65395679540555     
+   11.1314365285805       split increased to            2  itime      561286 
   itsplit           1
-Momenta zeroed out, time           112599.80
- acceleration/energy drift too large   8.37913444806871     
-   26.4857781050073       split increased to            2  itime      563479 
+ acceleration/energy drift too large   5.57255226633568     
+   32.6306171011770       split increased to            2  itime      561811 
   itsplit           1
- acceleration/energy drift too large   8.48980133384625     
-   34.7924157886323       split increased to            2  itime      563853 
+ acceleration/energy drift too large   3.99953061337084     
+   19.6902867506441       split increased to            2  itime      561828 
   itsplit           1
- acceleration/energy drift too large   4.00454570247198     
-   12.8795308063854       split increased to            2  itime      563887 
+ acceleration/energy drift too large   4.81347085776056     
+   27.5080106406514       split increased to            2  itime      561880 
   itsplit           1
+Momenta zeroed out, time           112399.80
+Momenta zeroed out, time           112599.80
 Momenta zeroed out, time           112799.80
- acceleration/energy drift too large   4.48589496944589     
-   13.8666782447472       split increased to            2  itime      564626 
+ acceleration/energy drift too large   3.96167468256003     
+   20.0883078424463       split increased to            2  itime      564676 
+  itsplit           1
+ acceleration/energy drift too large   6.01492211274907     
+   16.9044764541619       split increased to            2  itime      564994 
   itsplit           1
 Momenta zeroed out, time           112999.80
- acceleration/energy drift too large   3.43018080232198     
-   12.1816434673187       split increased to            2  itime      565239 
+ acceleration/energy drift too large   4.87540521280969     
+   17.0993566939839       split increased to            2  itime      565513 
+  itsplit           1
+ acceleration/energy drift too large   12.9568347516413     
+   74.0526814803114       split increased to            2  itime      565812 
   itsplit           1
 Momenta zeroed out, time           113199.80
- acceleration/energy drift too large   13.9837780954794     
-   84.7247143557710       split increased to            2  itime      566297 
+Momenta zeroed out, time           113399.80
+ acceleration/energy drift too large   6.62380300976733     
+   38.8966819136805       split increased to            2  itime      567132 
   itsplit           1
- acceleration/energy drift too large   4.06820689127959     
-   13.2679609873394       split increased to            2  itime      566967 
+ acceleration/energy drift too large   4.57015162042523     
+   23.0643922742775       split increased to            2  itime      567941 
   itsplit           1
-Momenta zeroed out, time           113399.80
 Momenta zeroed out, time           113599.80
- acceleration/energy drift too large   2.93688487090168     
-   11.3190509806261       split increased to            2  itime      568983 
+ acceleration/energy drift too large   7.19024313845734     
+   54.2028381153249       split increased to            2  itime      568017 
+  itsplit           1
+ acceleration/energy drift too large   6.33227928690170     
+   22.0944635063002       split increased to            2  itime      568516 
+  itsplit           1
+ acceleration/energy drift too large   4.78156581650066     
+   11.3462762321559       split increased to            2  itime      568709 
   itsplit           1
 Momenta zeroed out, time           113799.80
- acceleration/energy drift too large   5.26140586472580     
-   31.2313504657862       split increased to            2  itime      569270 
+ acceleration/energy drift too large   11.3847776153275     
+   72.8815077527468       split increased to            2  itime      569769 
+  itsplit           1
+ acceleration/energy drift too large   1.51963409330979     
+   12.8908398738865       split increased to            2  itime      569770 
+  itsplit           1
+ acceleration/energy drift too large   8.13224755547595     
+   37.0362143199884       split increased to            2  itime      569839 
+  itsplit           1
+ acceleration/energy drift too large   1.53793249959764     
+   13.0645478051885       split increased to            2  itime      569840 
   itsplit           1
 Velocities reset to random values, time           113999.80
 Momenta zeroed out, time           113999.80
- acceleration/energy drift too large   4.57741713102809     
-   11.3021594046387       split increased to            2  itime      570514 
-  itsplit           1
 Momenta zeroed out, time           114199.80
 Momenta zeroed out, time           114399.80
- acceleration/energy drift too large   16.2594702744676     
-   87.3562537114339       split increased to            2  itime      572174 
+ acceleration/energy drift too large   5.11779558545193     
+   12.3263366004155       split increased to            2  itime      572344 
   itsplit           1
- acceleration/energy drift too large   4.18033850986668     
-   24.1891197463230       split increased to            4  itime      572174 
-  itsplit           2
- acceleration/energy drift too large   8.91162385673675     
-   35.6119641758491       split increased to            2  itime      572283 
-  itsplit           1
- acceleration/energy drift too large  4.785191247244169E-002
-   13.9821351339941       split increased to            2  itime      572284 
+ acceleration/energy drift too large   5.78402808214607     
+   11.3157351343257       split increased to            2  itime      572706 
   itsplit           1
 Momenta zeroed out, time           114599.80
- acceleration/energy drift too large   6.33315605516408     
-   27.2899697635806       split increased to            2  itime      573010 
+Momenta zeroed out, time           114799.80
+ acceleration/energy drift too large   5.92538088393017     
+   38.5844976407876       split increased to            2  itime      574319 
   itsplit           1
- acceleration/energy drift too large   5.08384846758959     
-   12.7672892968842       split increased to            2  itime      573228 
+ acceleration/energy drift too large   9.05754569024709     
+   40.4262326823600       split increased to            2  itime      574528 
   itsplit           1
- acceleration/energy drift too large   4.20228177487493     
-   11.5315502921499       split increased to            2  itime      573692 
+ acceleration/energy drift too large   2.62858739615719     
+   10.0969471317157       split increased to            2  itime      574529 
   itsplit           1
-Momenta zeroed out, time           114799.80
- acceleration/energy drift too large   6.27318617671650     
-   14.6803141899944       split increased to            2  itime      574780 
+ acceleration/energy drift too large   3.23318305951736     
+   10.9507632983350       split increased to            2  itime      574565 
   itsplit           1
 Momenta zeroed out, time           114999.80
- acceleration/energy drift too large   2.56012973709932     
-   10.8029634267773       split increased to            2  itime      575291 
+ acceleration/energy drift too large   5.41240194424165     
+   34.5928191362423       split increased to            2  itime      575287 
   itsplit           1
 Momenta zeroed out, time           115199.80
- acceleration/energy drift too large   3.96254387452601     
-   13.9040532281615       split increased to            2  itime      576129 
-  itsplit           1
 Momenta zeroed out, time           115399.80
- acceleration/energy drift too large   3.25272778137684     
-   21.1469509461188       split increased to            2  itime      577419 
+ acceleration/energy drift too large   4.47316652620650     
+   12.2237297006088       split increased to            2  itime      577368 
   itsplit           1
- acceleration/energy drift too large   3.04207019392957     
-   10.4456132118047       split increased to            2  itime      577432 
-  itsplit           1
- acceleration/energy drift too large   4.11196302290334     
-   21.0045487016185       split increased to            2  itime      577513 
-  itsplit           1
- acceleration/energy drift too large   6.44874726900726     
-   16.0271588969663       split increased to            2  itime      577757 
+ acceleration/energy drift too large   2.95763343723424     
+   20.8333577358933       split increased to            2  itime      577780 
   itsplit           1
 Momenta zeroed out, time           115599.80
- acceleration/energy drift too large   4.96352028995468     
-   19.7988155281895       split increased to            2  itime      578734 
+ acceleration/energy drift too large   6.23191070568728     
+   16.5647524293073       split increased to            2  itime      578179 
   itsplit           1
- acceleration/energy drift too large   10.8416376095984     
-   51.9439662168916       split increased to            2  itime      578793 
+ acceleration/energy drift too large   3.54913708712584     
+   16.3555842505570       split increased to            2  itime      578838 
   itsplit           1
 Momenta zeroed out, time           115799.80
+ acceleration/energy drift too large   10.3053946634652     
+   59.2301721059409       split increased to            2  itime      579833 
+  itsplit           1
+ acceleration/energy drift too large   5.36382459879832     
+   14.0139236516953       split increased to            2  itime      579857 
+  itsplit           1
+ acceleration/energy drift too large   5.34557421247161     
+   18.7244221614637       split increased to            2  itime      579908 
+  itsplit           1
 Velocities reset to random values, time           115999.80
 Momenta zeroed out, time           115999.80
- acceleration/energy drift too large   3.96157532347120     
-   17.3166236778345       split increased to            2  itime      580385 
+ acceleration/energy drift too large   3.43441173482019     
+   11.4292915698283       split increased to            2  itime      580846 
   itsplit           1
 Momenta zeroed out, time           116199.80
- acceleration/energy drift too large   5.49182899841717     
-   17.6193940673973       split increased to            2  itime      581674 
-  itsplit           1
- acceleration/energy drift too large   8.25143676333160     
-   26.9532944446571       split increased to            2  itime      581929 
-  itsplit           1
 Momenta zeroed out, time           116399.80
+ acceleration/energy drift too large   9.51408844362449     
+   43.6733468464831       split increased to            2  itime      582467 
+  itsplit           1
 Momenta zeroed out, time           116599.80
- acceleration/energy drift too large   3.61120531968533     
-   15.1572541516357       split increased to            2  itime      583093 
+ acceleration/energy drift too large   5.94175807313025     
+   16.4887934920789       split increased to            2  itime      583353 
   itsplit           1
- acceleration/energy drift too large   5.68981593225011     
-   16.7046922159462       split increased to            2  itime      583871 
+ acceleration/energy drift too large   4.56627527022192     
+   14.9509091834680       split increased to            2  itime      583643 
   itsplit           1
 Momenta zeroed out, time           116799.80
- acceleration/energy drift too large   7.81794788472028     
-   20.6785983855247       split increased to            2  itime      584885 
+ acceleration/energy drift too large   3.82231877680214     
+   10.2684562453164       split increased to            2  itime      584078 
+  itsplit           1
+ acceleration/energy drift too large   7.96640820832150     
+   31.1491330196458       split increased to            2  itime      584110 
+  itsplit           1
+ acceleration/energy drift too large   2.22837841254837     
+   12.4021427953440       split increased to            2  itime      584111 
+  itsplit           1
+ acceleration/energy drift too large   4.30516452994252     
+   16.6639657309347       split increased to            2  itime      584545 
   itsplit           1
 Momenta zeroed out, time           116999.80
- acceleration/energy drift too large   3.22662242633660     
-   10.2450108516142       split increased to            2  itime      585626 
+ acceleration/energy drift too large   5.92848571363982     
+   24.5969813223891       split increased to            2  itime      585044 
+  itsplit           1
+ acceleration/energy drift too large   5.49303752170812     
+   17.0748654916417       split increased to            2  itime      585608 
   itsplit           1
 Momenta zeroed out, time           117199.80
- acceleration/energy drift too large   2.96566402019047     
-   10.4316580808465       split increased to            2  itime      586380 
+ acceleration/energy drift too large   7.99556382868505     
+   21.2550171376231       split increased to            2  itime      586492 
   itsplit           1
- acceleration/energy drift too large   11.2252728359394     
-   58.2761495243217       split increased to            2  itime      586932 
+ acceleration/energy drift too large   2.87214946617333     
+   13.9525928921297       split increased to            4  itime      586492 
   itsplit           1
 Momenta zeroed out, time           117399.80
- acceleration/energy drift too large   3.50182672611553     
-   14.3780674216693       split increased to            2  itime      587767 
+Momenta zeroed out, time           117599.80
+ acceleration/energy drift too large   4.86711533798340     
+   10.6108844562860       split increased to            2  itime      588081 
   itsplit           1
- acceleration/energy drift too large   7.03047464276336     
-   22.2772660455803       split increased to            2  itime      587924 
+ acceleration/energy drift too large   4.26456135556495     
+   11.9244322538327       split increased to            2  itime      588229 
   itsplit           1
-Momenta zeroed out, time           117599.80
- acceleration/energy drift too large   3.55068792781953     
-   10.7071838839933       split increased to            2  itime      588476 
+ acceleration/energy drift too large   3.09194061492215     
+   10.1084839200071       split increased to            2  itime      588385 
   itsplit           1
- acceleration/energy drift too large   5.89970120917487     
-   22.4798847789189       split increased to            2  itime      588714 
+ acceleration/energy drift too large   7.01016602088014     
+   30.7022235586201       split increased to            2  itime      588734 
   itsplit           1
- acceleration/energy drift too large   6.42404081641551     
-   15.4709888129840       split increased to            2  itime      588886 
+ acceleration/energy drift too large   3.97955984178738     
+   15.1155234691490       split increased to            2  itime      588863 
   itsplit           1
 Momenta zeroed out, time           117799.80
+ acceleration/energy drift too large   4.87352919600063     
+   13.7169944240939       split increased to            2  itime      589201 
+  itsplit           1
 Velocities reset to random values, time           117999.80
 Momenta zeroed out, time           117999.80
- acceleration/energy drift too large   6.62215980345784     
-   18.9492468973353       split increased to            2  itime      590571 
-  itsplit           1
- acceleration/energy drift too large   6.52531929713537     
-   17.3621812766154       split increased to            2  itime      590686 
-  itsplit           1
 Momenta zeroed out, time           118199.80
- acceleration/energy drift too large   6.37611817549366     
-   24.0085120014644       split increased to            2  itime      591726 
+ acceleration/energy drift too large   8.52042536587675     
+   29.5660035814242       split increased to            2  itime      591212 
   itsplit           1
- acceleration/energy drift too large   2.54190298704124     
-   10.6871237699618       split increased to            2  itime      591772 
+ acceleration/energy drift too large   3.79122133331464     
+   15.9901426915088       split increased to            2  itime      591464 
   itsplit           1
 Momenta zeroed out, time           118399.80
- acceleration/energy drift too large   5.63018268710837     
-   22.2189458574704       split increased to            2  itime      592282 
-  itsplit           1
- acceleration/energy drift too large   6.03687017022257     
-   12.3351274752075       split increased to            2  itime      592773 
+ acceleration/energy drift too large   3.33776071496775     
+   17.6933750780702       split increased to            2  itime      592682 
   itsplit           1
 Momenta zeroed out, time           118599.80
- acceleration/energy drift too large   7.73413853600407     
-   11.6708301144712       split increased to            2  itime      593283 
+ acceleration/energy drift too large   4.98613585191802     
+   35.1537367921363       split increased to            2  itime      593787 
   itsplit           1
- acceleration/energy drift too large   4.54406007067903     
-   13.3326339171661       split increased to            2  itime      593310 
+ acceleration/energy drift too large   6.04097486795666     
+   45.6246630170759       split increased to            2  itime      593859 
   itsplit           1
- acceleration/energy drift too large   4.98050453166862     
-   12.9992924445098       split increased to            2  itime      593344 
+ acceleration/energy drift too large   4.64715194020213     
+   17.3449352883791       split increased to            2  itime      593951 
   itsplit           1
 Momenta zeroed out, time           118799.80
-Momenta zeroed out, time           118999.80
- acceleration/energy drift too large   6.36584060115887     
-   23.4662592220445       split increased to            2  itime      595130 
+ acceleration/energy drift too large   6.02362747475864     
+   26.8846597243405       split increased to            2  itime      594530 
+  itsplit           1
+ acceleration/energy drift too large   4.81812545456587     
+   12.1062673762591       split increased to            2  itime      594912 
   itsplit           1
- acceleration/energy drift too large   4.02770215585931     
-   10.5953943330267       split increased to            2  itime      595185 
+Momenta zeroed out, time           118999.80
+ acceleration/energy drift too large   4.46407679581512     
+   14.0140875394054       split increased to            2  itime      595285 
   itsplit           1
 Momenta zeroed out, time           119199.80
- acceleration/energy drift too large   5.46873565218297     
-   19.4468112202848       split increased to            2  itime      596525 
+ acceleration/energy drift too large   4.99881470995081     
+   12.6371856923981       split increased to            2  itime      596261 
   itsplit           1
- acceleration/energy drift too large   3.41849216628025     
-   10.1310996325230       split increased to            2  itime      596741 
+Momenta zeroed out, time           119399.80
+ acceleration/energy drift too large   3.81147790385095     
+   11.2664546810608       split increased to            2  itime      597773 
   itsplit           1
- acceleration/energy drift too large   2.45202609365862     
-   10.6532595846205       split increased to            2  itime      596787 
+ acceleration/energy drift too large   2.11714198494386     
+   10.1700100867203       split increased to            2  itime      597774 
   itsplit           1
-Momenta zeroed out, time           119399.80
- acceleration/energy drift too large   4.74049495717885     
-   21.8539686242565       split increased to            2  itime      597984 
+ acceleration/energy drift too large   4.40065856806301     
+   15.1926541122594       split increased to            2  itime      597857 
+  itsplit           1
+ acceleration/energy drift too large   5.19359462303145     
+   15.8094578086596       split increased to            2  itime      597939 
   itsplit           1
 Momenta zeroed out, time           119599.80
- acceleration/energy drift too large   4.69961913613839     
-   15.6828579358463       split increased to            2  itime      598021 
+ acceleration/energy drift too large   3.64370702497024     
+   11.9233809547892       split increased to            2  itime      598538 
   itsplit           1
- acceleration/energy drift too large   8.10665782566212     
-   45.3390509826131       split increased to            2  itime      598858 
+ acceleration/energy drift too large   8.17901829760079     
+   29.8386712187374       split increased to            2  itime      598872 
   itsplit           1
 Momenta zeroed out, time           119799.80
 Velocities reset to random values, time           119999.80
 Momenta zeroed out, time           119999.80
- acceleration/energy drift too large   2.89781439363212     
-   17.8254759672061       split increased to            2  itime      600266 
-  itsplit           1
- acceleration/energy drift too large   4.24326221091786     
-   20.5003559310323       split increased to            2  itime      600721 
+ acceleration/energy drift too large   5.87869299312566     
+   28.9978934724592       split increased to            2  itime      600219 
   itsplit           1
- acceleration/energy drift too large   6.45836246566696     
-   11.7919657347755       split increased to            2  itime      600776 
-  itsplit           1
- acceleration/energy drift too large   4.94044535794628     
-   12.1852965130342       split increased to            2  itime      600988 
+ acceleration/energy drift too large   6.24672615569642     
+   16.0045887853833       split increased to            2  itime      600347 
   itsplit           1
 Momenta zeroed out, time           120199.80
- acceleration/energy drift too large   5.31086318420990     
-   20.1385222817388       split increased to            2  itime      601542 
+Momenta zeroed out, time           120399.80
+ acceleration/energy drift too large   5.39631659448886     
+   13.2753055475087       split increased to            2  itime      602044 
   itsplit           1
- acceleration/energy drift too large   5.20807644467642     
-   10.5565360683275       split increased to            2  itime      601646 
+ acceleration/energy drift too large   4.45074248149467     
+   13.0347096043890       split increased to            2  itime      602046 
   itsplit           1
-Momenta zeroed out, time           120399.80
 Momenta zeroed out, time           120599.80
- acceleration/energy drift too large   5.04353074130519     
-   16.1064552199685       split increased to            2  itime      603104 
+ acceleration/energy drift too large   5.31044149465632     
+   13.9329228855063       split increased to            2  itime      603402 
+  itsplit           1
+ acceleration/energy drift too large   6.79046311277802     
+   18.0530005242269       split increased to            2  itime      603627 
+  itsplit           1
+ acceleration/energy drift too large   4.59379281175098     
+   23.5301330719595       split increased to            2  itime      603729 
+  itsplit           1
+ acceleration/energy drift too large   3.76766776225022     
+   12.6661175821676       split increased to            2  itime      603735 
+  itsplit           1
+ acceleration/energy drift too large   5.69528820992469     
+   15.1495446586219       split increased to            2  itime      603742 
+  itsplit           1
+ acceleration/energy drift too large   4.82926568719300     
+   26.3840568630360       split increased to            2  itime      603861 
   itsplit           1
 Momenta zeroed out, time           120799.80
- acceleration/energy drift too large   4.40908843671346     
-   16.6928512202572       split increased to            2  itime      604146 
+ acceleration/energy drift too large   5.66976458238172     
+   10.6218885786392       split increased to            2  itime      604008 
   itsplit           1
- acceleration/energy drift too large   4.71761497226483     
-   21.4604313547282       split increased to            2  itime      604916 
+ acceleration/energy drift too large   3.50971726022816     
+   10.3805085300133       split increased to            2  itime      604039 
   itsplit           1
 Momenta zeroed out, time           120999.80
- acceleration/energy drift too large   4.16584752729436     
-   16.7789993970735       split increased to            2  itime      605066 
-  itsplit           1
- acceleration/energy drift too large   3.88807581393155     
-   11.7211153503235       split increased to            2  itime      605098 
+ acceleration/energy drift too large   8.37416085106968     
+   41.1744553185032       split increased to            2  itime      605619 
   itsplit           1
- acceleration/energy drift too large   8.85791201609061     
-   35.6124862700306       split increased to            2  itime      605457 
+ acceleration/energy drift too large   5.22477737067284     
+   13.1240252187581       split increased to            2  itime      605999 
   itsplit           1
 Momenta zeroed out, time           121199.80
+ acceleration/energy drift too large   3.72952191391865     
+   14.4589460718738       split increased to            2  itime      606683 
+  itsplit           1
+ acceleration/energy drift too large   4.45709759177539     
+   17.5310699326672       split increased to            2  itime      606817 
+  itsplit           1
 Momenta zeroed out, time           121399.80
 Momenta zeroed out, time           121599.80
+ acceleration/energy drift too large   7.90327460959609     
+   37.3407279455902       split increased to            2  itime      608147 
+  itsplit           1
 Momenta zeroed out, time           121799.80
 Velocities reset to random values, time           121999.80
 Momenta zeroed out, time           121999.80
- acceleration/energy drift too large   8.29794303640618     
-   35.5150121590101       split increased to            2  itime      610894 
-  itsplit           1
 Momenta zeroed out, time           122199.80
- acceleration/energy drift too large   7.69511724961353     
-   26.8493003217173       split increased to            2  itime      611571 
+ acceleration/energy drift too large   6.26326338693025     
+   18.8158014771941       split increased to            2  itime      611028 
   itsplit           1
- acceleration/energy drift too large   4.34707217944214     
-   17.2943333422557       split increased to            2  itime      611688 
+ acceleration/energy drift too large   3.15655560235091     
+   17.8546812249034       split increased to            2  itime      611029 
   itsplit           1
- acceleration/energy drift too large   7.90233190262464     
-   29.8245831562226       split increased to            2  itime      611990 
+ acceleration/energy drift too large   3.16434529054779     
+   11.1494385298286       split increased to            2  itime      611373 
   itsplit           1
 Momenta zeroed out, time           122399.80
- acceleration/energy drift too large   5.65805063648289     
-   17.5637224173793       split increased to            2  itime      612641 
-  itsplit           1
- acceleration/energy drift too large   8.82581415863291     
-   22.8737605202938       split increased to            2  itime      612853 
-  itsplit           1
 Momenta zeroed out, time           122599.80
- acceleration/energy drift too large   2.95410126654376     
-   11.3383056336626       split increased to            2  itime      613073 
+ acceleration/energy drift too large   7.67126326855967     
+   23.0936847619490       split increased to            2  itime      613011 
   itsplit           1
 Momenta zeroed out, time           122799.80
- acceleration/energy drift too large   4.62614851028031     
-   14.2414603016280       split increased to            2  itime      614311 
+ acceleration/energy drift too large   4.40742109026446     
+   23.8620609446344       split increased to            2  itime      614049 
   itsplit           1
- acceleration/energy drift too large   6.18360812124222     
-   17.9064158283703       split increased to            2  itime      614890 
+ acceleration/energy drift too large   3.08944707323799     
+   11.1626674003234       split increased to            2  itime      614223 
   itsplit           1
- acceleration/energy drift too large   2.28925955750722     
-   10.6408935290020       split increased to            4  itime      614890 
+ acceleration/energy drift too large   2.41575891124598     
+   10.8950382595831       split increased to            2  itime      614226 
   itsplit           1
 Momenta zeroed out, time           122999.80
-Momenta zeroed out, time           123199.80
- acceleration/energy drift too large   7.97512770772389     
-   28.3017658088979       split increased to            2  itime      616065 
+ acceleration/energy drift too large   11.8452672961433     
+   62.6232710451753       split increased to            2  itime      615034 
   itsplit           1
+Momenta zeroed out, time           123199.80
 Momenta zeroed out, time           123399.80
- acceleration/energy drift too large   6.03034141634877     
-   12.8967706884568       split increased to            2  itime      617377 
+Momenta zeroed out, time           123599.80
+ acceleration/energy drift too large   2.71435201437396     
+   12.3898440809653       split increased to            2  itime      618424 
   itsplit           1
- acceleration/energy drift too large   10.6484765990163     
-   35.5539863211583       split increased to            2  itime      617520 
+ acceleration/energy drift too large   8.42597896445116     
+   31.9949600959395       split increased to            2  itime      618482 
   itsplit           1
- acceleration/energy drift too large   2.80874834082001     
-   10.5098353780021       split increased to            4  itime      617520 
+ acceleration/energy drift too large   2.52820796294336     
+   11.5784111131272       split increased to            4  itime      618482 
+  itsplit           1
+Momenta zeroed out, time           123799.80
+ acceleration/energy drift too large   5.51595701581126     
+   22.9462262667630       split increased to            2  itime      619462 
   itsplit           1
- acceleration/energy drift too large   9.93330615311154     
-   34.8228890342024       split increased to            2  itime      617538 
+ acceleration/energy drift too large   4.50673854685691     
+   14.1937637549973       split increased to            2  itime      619709 
   itsplit           1
-Momenta zeroed out, time           123599.80
-Momenta zeroed out, time           123799.80
- acceleration/energy drift too large   9.35120716653241     
-   39.3334263260361       split increased to            2  itime      619544 
+ acceleration/energy drift too large   7.03015289891041     
+   22.6980467184803       split increased to            2  itime      619723 
   itsplit           1
 Velocities reset to random values, time           123999.80
 Momenta zeroed out, time           123999.80
 Momenta zeroed out, time           124199.80
-Momenta zeroed out, time           124399.80
- acceleration/energy drift too large   4.03469615932387     
-   13.5498275015838       split increased to            2  itime      622304 
-  itsplit           1
- acceleration/energy drift too large   4.15679728528837     
-   28.9227518391247       split increased to            2  itime      622335 
+ acceleration/energy drift too large   4.94843227330108     
+   16.5325144046119       split increased to            2  itime      621129 
   itsplit           1
- acceleration/energy drift too large   4.69808650591900     
-   25.6482651350527       split increased to            2  itime      622403 
+ acceleration/energy drift too large   9.61450172029449     
+   53.9278260869414       split increased to            2  itime      621415 
   itsplit           1
- acceleration/energy drift too large   6.25321163907415     
-   15.0555150522920       split increased to            2  itime      622722 
+ acceleration/energy drift too large   2.39811970540807     
+   13.5807004512341       split increased to            4  itime      621415 
+  itsplit           2
+ acceleration/energy drift too large   4.94887290132440     
+   29.8707216258172       split increased to            2  itime      621664 
   itsplit           1
- acceleration/energy drift too large   4.17844904814754     
-   13.4157131216551       split increased to            2  itime      622792 
+ acceleration/energy drift too large   6.56800790723970     
+   40.5013254052386       split increased to            2  itime      621851 
   itsplit           1
- acceleration/energy drift too large   2.43774285256978     
-   10.6040214951168       split increased to            2  itime      622861 
+Momenta zeroed out, time           124399.80
+ acceleration/energy drift too large   6.29338155718890     
+   14.0966117753206       split increased to            2  itime      622902 
   itsplit           1
 Momenta zeroed out, time           124599.80
- acceleration/energy drift too large   7.45906355074651     
-   14.3294231993485       split increased to            2  itime      623195 
+ acceleration/energy drift too large   3.73396876368112     
+   21.2723802179975       split increased to            2  itime      623234 
   itsplit           1
- acceleration/energy drift too large   3.50035848420876     
-   15.8494061364142       split increased to            2  itime      623259 
+ acceleration/energy drift too large   5.00015667916901     
+   12.1899102126335       split increased to            2  itime      623740 
   itsplit           1
- acceleration/energy drift too large   3.64591995496145     
-   19.5632201632825       split increased to            2  itime      623950 
+ acceleration/energy drift too large   1.90140270566170     
+   10.9306451905337       split increased to            2  itime      623741 
   itsplit           1
 Momenta zeroed out, time           124799.80
- acceleration/energy drift too large   5.52963835273981     
-   26.4076434104229       split increased to            2  itime      624640 
+ acceleration/energy drift too large   4.39207243760556     
+   23.6946697742500       split increased to            2  itime      624081 
   itsplit           1
- acceleration/energy drift too large   4.50537265676223     
-   19.6746075647843       split increased to            2  itime      624966 
+ acceleration/energy drift too large   4.83779362625359     
+   23.1853583846666       split increased to            2  itime      624154 
   itsplit           1
 Momenta zeroed out, time           124999.80
- acceleration/energy drift too large   4.91129893688133     
-   16.9435060321576       split increased to            2  itime      625725 
+ acceleration/energy drift too large   4.39453422119916     
+   15.8033060181410       split increased to            2  itime      625821 
   itsplit           1
 Momenta zeroed out, time           125199.80
- acceleration/energy drift too large   1.64275926857234     
-   12.4375036284133       split increased to            2  itime      626885 
-  itsplit           1
- acceleration/energy drift too large   2.58555348428371     
-   15.9141148011652       split increased to            2  itime      626886 
+ acceleration/energy drift too large   5.88625111077959     
+   15.5670032532361       split increased to            2  itime      626807 
   itsplit           1
 Momenta zeroed out, time           125399.80
- acceleration/energy drift too large   4.48695294344038     
-   11.1245470913498       split increased to            2  itime      627229 
+ acceleration/energy drift too large   6.12966809354822     
+   28.3385541154487       split increased to            2  itime      627291 
   itsplit           1
 Momenta zeroed out, time           125599.80
 Momenta zeroed out, time           125799.80
- acceleration/energy drift too large   16.0366519303019     
-   90.5998223641800       split increased to            2  itime      629253 
+ acceleration/energy drift too large   5.23448777269049     
+   11.4627541752037       split increased to            2  itime      629407 
+  itsplit           1
+ acceleration/energy drift too large   4.09230061044429     
+   20.1179654601196       split increased to            2  itime      629713 
+  itsplit           1
+ acceleration/energy drift too large   5.59012078860160     
+   13.9001692219776       split increased to            2  itime      629900 
   itsplit           1
 Velocities reset to random values, time           125999.80
 Momenta zeroed out, time           125999.80
- acceleration/energy drift too large   5.15600036363383     
-   18.8587279143341       split increased to            2  itime      630208 
-  itsplit           1
- acceleration/energy drift too large   5.06943266428544     
-   19.0155921601014       split increased to            2  itime      630340 
+ acceleration/energy drift too large   3.43579251274978     
+   23.0059625511562       split increased to            2  itime      630996 
   itsplit           1
 Momenta zeroed out, time           126199.80
- acceleration/energy drift too large   5.66799115788132     
-   16.8435894070462       split increased to            2  itime      631966 
-  itsplit           1
- acceleration/energy drift too large   5.49471053029073     
-   10.1146757672574       split increased to            2  itime      631967 
-  itsplit           1
 Momenta zeroed out, time           126399.80
- acceleration/energy drift too large   2.95033871056596     
-   11.7669322204498       split increased to            2  itime      632028 
-  itsplit           1
- acceleration/energy drift too large   3.20111494410761     
-   18.1378205401810       split increased to            2  itime      632261 
-  itsplit           1
- acceleration/energy drift too large   4.96856529811640     
-   30.8239528745828       split increased to            2  itime      632285 
-  itsplit           1
- acceleration/energy drift too large   4.01867541676677     
-   15.1185003566683       split increased to            2  itime      632356 
-  itsplit           1
- acceleration/energy drift too large   4.76859191999172     
-   14.8278020998039       split increased to            2  itime      632485 
-  itsplit           1
- acceleration/energy drift too large   2.82789369167762     
-   10.4394105981310       split increased to            2  itime      632486 
+ acceleration/energy drift too large   4.46078354680530     
+   15.6794944743389       split increased to            2  itime      632380 
   itsplit           1
 Momenta zeroed out, time           126599.80
- acceleration/energy drift too large   5.35191775021702     
-   11.5008069907759       split increased to            2  itime      633005 
-  itsplit           1
- acceleration/energy drift too large   3.18614198400398     
-   25.6162900403477       split increased to            2  itime      633016 
-  itsplit           1
 Momenta zeroed out, time           126799.80
- acceleration/energy drift too large   3.05578149906035     
-   14.7253564733064       split increased to            2  itime      634332 
+ acceleration/energy drift too large   8.72571768690643     
+   14.5294801192867       split increased to            2  itime      634029 
   itsplit           1
 Momenta zeroed out, time           126999.80
- acceleration/energy drift too large   7.56563827496373     
-   17.2178164063909       split increased to            2  itime      635057 
-  itsplit           1
- acceleration/energy drift too large   13.1092937113015     
-   59.1144804054425       split increased to            2  itime      635351 
+ acceleration/energy drift too large   5.04400326738640     
+   20.5708799493234       split increased to            2  itime      635054 
   itsplit           1
- acceleration/energy drift too large   3.60283605647580     
-   19.2711772264265       split increased to            2  itime      635498 
+ acceleration/energy drift too large   7.65654652697205     
+   18.4850553131425       split increased to            2  itime      635960 
   itsplit           1
 Momenta zeroed out, time           127199.80
- acceleration/energy drift too large   5.02589948945145     
-   12.6130502854742       split increased to            2  itime      636392 
+ acceleration/energy drift too large   6.28144989052668     
+   43.9621245732099       split increased to            2  itime      636577 
   itsplit           1
 Momenta zeroed out, time           127399.80
- acceleration/energy drift too large   4.30263954186902     
-   26.1506514784452       split increased to            2  itime      637059 
-  itsplit           1
- acceleration/energy drift too large   5.42560988866682     
-   12.8890005818101       split increased to            2  itime      637429 
-  itsplit           1
 Momenta zeroed out, time           127599.80
- acceleration/energy drift too large   13.0072524936187     
-   73.3969420493695       split increased to            2  itime      638376 
-  itsplit           1
- acceleration/energy drift too large   2.98212493266037     
-   15.8058908369639       split increased to            4  itime      638376 
-  itsplit           2
- acceleration/energy drift too large   7.21661221743415     
-   26.8326915124833       split increased to            2  itime      638421 
-  itsplit           1
 Momenta zeroed out, time           127799.80
- acceleration/energy drift too large   3.52440127002278     
-   24.8581661041802       split increased to            2  itime      639158 
-  itsplit           1
- acceleration/energy drift too large   5.41951720906246     
-   15.0971864565387       split increased to            2  itime      639422 
-  itsplit           1
- acceleration/energy drift too large   4.29916084802540     
-   14.7677862056682       split increased to            2  itime      639639 
-  itsplit           1
- acceleration/energy drift too large   2.58633960148590     
-   10.6303364020551       split increased to            2  itime      639640 
+ acceleration/energy drift too large   7.06692689083271     
+   19.6139830599301       split increased to            2  itime      639006 
   itsplit           1
- acceleration/energy drift too large   5.95559248255599     
-   35.4929789829420       split increased to            2  itime      639735 
+ acceleration/energy drift too large   8.87238479362942     
+   37.3406392914879       split increased to            2  itime      639161 
   itsplit           1
- acceleration/energy drift too large   2.27005917268829     
-   14.3692957599637       split increased to            2  itime      639900 
+ acceleration/energy drift too large   5.23605549730427     
+   16.2936894583169       split increased to            2  itime      639549 
   itsplit           1
 Velocities reset to random values, time           127999.80
 Momenta zeroed out, time           127999.80
- acceleration/energy drift too large   2.77698918299815     
-   17.7290339346400       split increased to            2  itime      640993 
+ acceleration/energy drift too large   2.89217320711470     
+   10.3648587539866       split increased to            2  itime      640612 
   itsplit           1
 Momenta zeroed out, time           128199.80
- acceleration/energy drift too large   10.1542137005182     
-   29.3354998147068       split increased to            2  itime      641683 
-  itsplit           1
- acceleration/energy drift too large   3.04000362716430     
-   13.1643796498831       split increased to            2  itime      641688 
+Momenta zeroed out, time           128399.80
+ acceleration/energy drift too large   6.25763402502015     
+   18.4220951338312       split increased to            2  itime      642361 
   itsplit           1
- acceleration/energy drift too large   3.59664191253456     
-   11.3943107085428       split increased to            2  itime      641883 
+ acceleration/energy drift too large   10.9478922306969     
+   58.0054454967347       split increased to            2  itime      642908 
   itsplit           1
-Momenta zeroed out, time           128399.80
 Momenta zeroed out, time           128599.80
- acceleration/energy drift too large   3.59034353494769     
-   14.3246721688102       split increased to            2  itime      643484 
+ acceleration/energy drift too large   4.49821130277815     
+   28.3729167724758       split increased to            2  itime      643100 
   itsplit           1
 Momenta zeroed out, time           128799.80
- acceleration/energy drift too large   4.58954855377310     
-   26.9085794187688       split increased to            2  itime      644015 
+ acceleration/energy drift too large   5.62250674849887     
+   31.8757986565231       split increased to            2  itime      644162 
+  itsplit           1
+ acceleration/energy drift too large   4.94321002287430     
+   20.2550284812431       split increased to            2  itime      644233 
   itsplit           1
- acceleration/energy drift too large   2.87544918681076     
-   15.5233366125472       split increased to            2  itime      644339 
+Momenta zeroed out, time           128999.80
+ acceleration/energy drift too large   2.66038810918103     
+   10.3655711363642       split increased to            2  itime      645003 
   itsplit           1
- acceleration/energy drift too large   4.53745586432895     
-   25.2550788241453       split increased to            2  itime      644637 
+ acceleration/energy drift too large   4.77476476671198     
+   20.6185425770119       split increased to            2  itime      645178 
   itsplit           1
- acceleration/energy drift too large   5.36075010131160     
-   19.0518009697210       split increased to            2  itime      644874 
+ acceleration/energy drift too large   6.46353290948130     
+   13.7931972275562       split increased to            2  itime      645440 
   itsplit           1
-Momenta zeroed out, time           128999.80
 Momenta zeroed out, time           129199.80
-Momenta zeroed out, time           129399.80
- acceleration/energy drift too large   4.12909885451682     
-   14.5297436158782       split increased to            2  itime      647263 
+ acceleration/energy drift too large   9.17928448256780     
+   33.2678811379539       split increased to            2  itime      646002 
   itsplit           1
- acceleration/energy drift too large   2.96083729516940     
-   10.0246304826442       split increased to            2  itime      647325 
+ acceleration/energy drift too large   1.72353476700442     
+   25.6641517358424       split increased to            2  itime      646003 
   itsplit           1
- acceleration/energy drift too large   4.29855758658112     
-   25.5338223854808       split increased to            2  itime      647721 
+ acceleration/energy drift too large   3.69734218103907     
+   14.1866180936778       split increased to            2  itime      646018 
   itsplit           1
+Momenta zeroed out, time           129399.80
 Momenta zeroed out, time           129599.80
- acceleration/energy drift too large   9.29229194753489     
-   36.7915597513540       split increased to            2  itime      648462 
+ acceleration/energy drift too large   4.86129880403953     
+   14.8817049786761       split increased to            2  itime      648642 
   itsplit           1
- acceleration/energy drift too large   2.51692277828508     
-   14.4279446406622       split increased to            2  itime      648928 
+ acceleration/energy drift too large   2.69230958061713     
+   16.8546118514029       split increased to            2  itime      648960 
   itsplit           1
 Momenta zeroed out, time           129799.80
- acceleration/energy drift too large   6.41915190909639     
-   19.2749604204326       split increased to            2  itime      649909 
+ acceleration/energy drift too large   2.64171884557822     
+   16.1618429092094       split increased to            2  itime      649646 
   itsplit           1
 Velocities reset to random values, time           129999.80
 Momenta zeroed out, time           129999.80
- acceleration/energy drift too large   4.97325220458539     
-   12.0546383073910       split increased to            2  itime      650320 
+Momenta zeroed out, time           130199.80
+ acceleration/energy drift too large   4.59887575956026     
+   11.3065318825304       split increased to            2  itime      651708 
   itsplit           1
- acceleration/energy drift too large   4.71520574973860     
-   15.9700511223405       split increased to            2  itime      650939 
+ acceleration/energy drift too large   7.79160761974158     
+   42.4478873424333       split increased to            2  itime      651809 
+  itsplit           1
+ acceleration/energy drift too large   2.48965611132093     
+   10.5790190873470       split increased to            4  itime      651809 
   itsplit           1
-Momenta zeroed out, time           130199.80
 Momenta zeroed out, time           130399.80
- acceleration/energy drift too large   3.86041379429819     
-   11.8423444147757       split increased to            2  itime      652172 
+Momenta zeroed out, time           130599.80
+Momenta zeroed out, time           130799.80
+ acceleration/energy drift too large   4.10089381307107     
+   23.4213047634680       split increased to            2  itime      654892 
   itsplit           1
- acceleration/energy drift too large   9.46041800789420     
-   40.7172089381531       split increased to            2  itime      652652 
+Momenta zeroed out, time           130999.80
+ acceleration/energy drift too large   3.67584116515295     
+   16.6935019598277       split increased to            2  itime      655604 
   itsplit           1
-Momenta zeroed out, time           130599.80
- acceleration/energy drift too large   5.47621881507593     
-   29.8098322554518       split increased to            2  itime      653355 
+ acceleration/energy drift too large   1.66516750694569     
+   10.4468309391839       split increased to            2  itime      655606 
   itsplit           1
- acceleration/energy drift too large   10.4815599440779     
-   52.5133962117384       split increased to            2  itime      653863 
+ acceleration/energy drift too large   4.14370533986095     
+   13.4605466102472       split increased to            2  itime      655799 
   itsplit           1
- acceleration/energy drift too large   17.9075737868458     
-   101.440250155066       split increased to            2  itime      653960 
+ acceleration/energy drift too large   6.18733237215072     
+   22.0982494062241       split increased to            2  itime      655804 
   itsplit           1
- acceleration/energy drift too large   2.89392505830955     
-   11.3903768470409       split increased to            4  itime      653960 
-  itsplit           2
- acceleration/energy drift too large   6.62257273487348     
-   28.3537617237350       split increased to            2  itime      653979 
+Momenta zeroed out, time           131199.80
+ acceleration/energy drift too large   9.12177605852103     
+   35.8679375350698       split increased to            2  itime      656099 
   itsplit           1
-Momenta zeroed out, time           130799.80
-Momenta zeroed out, time           130999.80
- acceleration/energy drift too large   5.04142785349954     
-   12.9369160453267       split increased to            2  itime      655486 
+ acceleration/energy drift too large   2.86958342350707     
+   17.5049064150717       split increased to            2  itime      656100 
   itsplit           1
- acceleration/energy drift too large   11.1844189281886     
-   48.8367249986519       split increased to            2  itime      655653 
+ acceleration/energy drift too large   15.1073140992738     
+   89.3549424315398       split increased to            2  itime      656130 
+  itsplit           1
+ acceleration/energy drift too large   4.20949980272017     
+   23.3460735044863       split increased to            2  itime      656512 
+  itsplit           1
+ acceleration/energy drift too large   3.82709935762483     
+   18.6256505164785       split increased to            2  itime      656513 
+  itsplit           1
+ acceleration/energy drift too large   5.12426173234793     
+   14.5266498734650       split increased to            2  itime      656723 
+  itsplit           1
+ acceleration/energy drift too large   4.22832594612725     
+   15.0374733011133       split increased to            2  itime      656786 
   itsplit           1
-Momenta zeroed out, time           131199.80
 Momenta zeroed out, time           131399.80
- acceleration/energy drift too large   4.08021895956795     
-   19.6076039603977       split increased to            2  itime      657032 
+ acceleration/energy drift too large   7.38565227134312     
+   49.8343725446199       split increased to            2  itime      657382 
   itsplit           1
-Momenta zeroed out, time           131599.80
- acceleration/energy drift too large   7.18975350055406     
-   17.6167193213056       split increased to            2  itime      658169 
+ acceleration/energy drift too large   4.05330612632553     
+   12.1115743391397       split increased to            2  itime      657792 
   itsplit           1
+Momenta zeroed out, time           131599.80
 Momenta zeroed out, time           131799.80
- acceleration/energy drift too large   2.79525483937012     
-   11.7755683910588       split increased to            2  itime      659948 
-  itsplit           1
 Velocities reset to random values, time           131999.80
 Momenta zeroed out, time           131999.80
- acceleration/energy drift too large   7.25771791220936     
-   42.1612744715589       split increased to            2  itime      660614 
-  itsplit           1
-Momenta zeroed out, time           132199.80
- acceleration/energy drift too large   3.68580775931899     
-   17.2851459321519       split increased to            2  itime      661513 
+ acceleration/energy drift too large   3.79997612944423     
+   18.0569017537643       split increased to            2  itime      660071 
   itsplit           1
- acceleration/energy drift too large   3.61635189387977     
-   15.9524231471156       split increased to            2  itime      661752 
+ acceleration/energy drift too large   3.21348864148131     
+   11.3537277264828       split increased to            2  itime      660981 
   itsplit           1
+Momenta zeroed out, time           132199.80
 Momenta zeroed out, time           132399.80
- acceleration/energy drift too large   6.32320863430734     
-   48.8075989796966       split increased to            2  itime      662167 
-  itsplit           1
- acceleration/energy drift too large   4.59489921627552     
-   17.2044488793803       split increased to            2  itime      662442 
-  itsplit           1
 Momenta zeroed out, time           132599.80
- acceleration/energy drift too large   2.68423253439886     
-   22.4386797932110       split increased to            2  itime      663649 
+ acceleration/energy drift too large   6.61137996201282     
+   28.9060795510409       split increased to            2  itime      663327 
   itsplit           1
- acceleration/energy drift too large   6.12671073275596     
-   12.1106881482769       split increased to            2  itime      663894 
+ acceleration/energy drift too large   5.84697884775710     
+   27.3141853592706       split increased to            2  itime      663611 
   itsplit           1
 Momenta zeroed out, time           132799.80
+ acceleration/energy drift too large   5.76002674939156     
+   19.9927878868954       split increased to            2  itime      664761 
+  itsplit           1
 Momenta zeroed out, time           132999.80
-Momenta zeroed out, time           133199.80
- acceleration/energy drift too large   5.54483209589465     
-   16.5940232797883       split increased to            2  itime      666756 
+ acceleration/energy drift too large   5.71607786255730     
+   17.9307792752435       split increased to            2  itime      665064 
   itsplit           1
+Momenta zeroed out, time           133199.80
 Momenta zeroed out, time           133399.80
- acceleration/energy drift too large   6.15723180892526     
-   22.4901710933246       split increased to            2  itime      667070 
-  itsplit           1
- acceleration/energy drift too large   4.81334877153822     
-   10.6096497317129       split increased to            2  itime      667189 
-  itsplit           1
- acceleration/energy drift too large   5.99639029910114     
-   11.0685167202101       split increased to            2  itime      667274 
-  itsplit           1
- acceleration/energy drift too large   3.06301317136531     
-   15.8989920175302       split increased to            2  itime      667388 
+ acceleration/energy drift too large   5.11653748289020     
+   22.6786063622407       split increased to            2  itime      667891 
   itsplit           1
 Momenta zeroed out, time           133599.80
- acceleration/energy drift too large   3.67027593589336     
-   10.3931838458973       split increased to            2  itime      668225 
-  itsplit           1
- acceleration/energy drift too large   5.17366733567149     
-   11.1849979370231       split increased to            2  itime      668898 
-  itsplit           1
 Momenta zeroed out, time           133799.80
+ acceleration/energy drift too large   9.48214220868406     
+   46.1830052094523       split increased to            2  itime      669724 
+  itsplit           1
 Velocities reset to random values, time           133999.80
 Momenta zeroed out, time           133999.80
- acceleration/energy drift too large   3.19442830091459     
-   10.4704116631635       split increased to            2  itime      670149 
-  itsplit           1
 Momenta zeroed out, time           134199.80
+ acceleration/energy drift too large   3.87593687005277     
+   11.7171261495864       split increased to            2  itime      671838 
+  itsplit           1
 Momenta zeroed out, time           134399.80
- acceleration/energy drift too large   9.68242093095834     
-   50.1786277843633       split increased to            2  itime      672544 
+ acceleration/energy drift too large   6.29715791097155     
+   25.7192119167026       split increased to            2  itime      672266 
   itsplit           1
- acceleration/energy drift too large   3.29478735228707     
-   12.1493938962410       split increased to            2  itime      672740 
+ acceleration/energy drift too large   2.35299554017291     
+   10.1186034153154       split increased to            2  itime      672348 
   itsplit           1
 Momenta zeroed out, time           134599.80
- acceleration/energy drift too large   2.55634997927415     
-   10.6604175170598       split increased to            2  itime      673679 
-  itsplit           1
- acceleration/energy drift too large   3.92724447866725     
-   11.6085121045906       split increased to            2  itime      673906 
+ acceleration/energy drift too large   6.86832435065546     
+   27.7621506012015       split increased to            2  itime      673399 
   itsplit           1
 Momenta zeroed out, time           134799.80
- acceleration/energy drift too large   4.62796689053340     
-   17.3692990531749       split increased to            2  itime      674743 
+ acceleration/energy drift too large   6.91215876410742     
+   14.1656501388724       split increased to            2  itime      674821 
   itsplit           1
 Momenta zeroed out, time           134999.80
 Momenta zeroed out, time           135199.80
+ acceleration/energy drift too large   3.43877774154970     
+   14.0146943324891       split increased to            2  itime      676430 
+  itsplit           1
 Momenta zeroed out, time           135399.80
- acceleration/energy drift too large   2.79455702163274     
-   10.2686086193441       split increased to            2  itime      677043 
+ acceleration/energy drift too large   4.83761637279186     
+   18.1339491621529       split increased to            2  itime      677368 
   itsplit           1
- acceleration/energy drift too large   6.92347636719711     
-   10.9362930748370       split increased to            2  itime      677427 
+ acceleration/energy drift too large   6.37644079598462     
+   15.0498709851611       split increased to            2  itime      677602 
   itsplit           1
- acceleration/energy drift too large   6.07678323542190     
-   10.9615969158905       split increased to            2  itime      677559 
+ acceleration/energy drift too large   7.46257934108434     
+   54.9217128302225       split increased to            2  itime      677639 
   itsplit           1
 Momenta zeroed out, time           135599.80
- acceleration/energy drift too large   6.75309936569519     
-   23.9752491090269       split increased to            2  itime      678281 
-  itsplit           1
- acceleration/energy drift too large   6.35966734267187     
-   21.8639731597458       split increased to            2  itime      678987 
+ acceleration/energy drift too large   5.78749953868565     
+   17.2496068173213       split increased to            2  itime      678359 
   itsplit           1
 Momenta zeroed out, time           135799.80
+ acceleration/energy drift too large   4.10623848747929     
+   24.1510863450888       split increased to            2  itime      679157 
+  itsplit           1
 Velocities reset to random values, time           135999.80
 Momenta zeroed out, time           135999.80
-Momenta zeroed out, time           136199.80
- acceleration/energy drift too large   6.15833056452608     
-   18.8413769291194       split increased to            2  itime      681278 
+ acceleration/energy drift too large   8.45050906998123     
+   47.8485320750721       split increased to            2  itime      680315 
   itsplit           1
- acceleration/energy drift too large   5.03592569300284     
-   13.9410265036103       split increased to            2  itime      681450 
+ acceleration/energy drift too large   1.47845467040522     
+   11.3294706004658       split increased to            2  itime      680316 
   itsplit           1
-Momenta zeroed out, time           136399.80
- acceleration/energy drift too large   2.95544605211936     
-   10.9958634829113       split increased to            2  itime      682012 
+ acceleration/energy drift too large   5.93495365971642     
+   12.8355772961044       split increased to            2  itime      680491 
   itsplit           1
- acceleration/energy drift too large   6.37914388288893     
-   19.8430932085476       split increased to            2  itime      682045 
+ acceleration/energy drift too large   3.13843906883068     
+   17.3971443447017       split increased to            4  itime      680491 
   itsplit           1
-Momenta zeroed out, time           136599.80
- acceleration/energy drift too large   2.36661824494003     
-   12.6184514984923       split increased to            2  itime      683048 
+ acceleration/energy drift too large   4.04417753320709     
+   11.7114099075210       split increased to            2  itime      680695 
   itsplit           1
- acceleration/energy drift too large   6.99643222769101     
-   21.1925916306030       split increased to            2  itime      683067 
+ acceleration/energy drift too large   11.4232195660697     
+   56.8250762203686       split increased to            2  itime      680860 
   itsplit           1
- acceleration/energy drift too large   4.90099754449694     
-   19.7084843834278       split increased to            2  itime      683162 
+ acceleration/energy drift too large   4.40447914857949     
+   10.7289169466323       split increased to            2  itime      680940 
   itsplit           1
- acceleration/energy drift too large   5.85116295176215     
-   34.2762495604527       split increased to            2  itime      683584 
+Momenta zeroed out, time           136199.80
+ acceleration/energy drift too large   13.5413437233089     
+   76.5986024269849       split increased to            2  itime      681648 
   itsplit           1
- acceleration/energy drift too large   5.82010953901406     
-   15.3112746035901       split increased to            2  itime      683727 
+ acceleration/energy drift too large   7.28363168891964     
+   18.0148217972191       split increased to            2  itime      681714 
   itsplit           1
-Momenta zeroed out, time           136799.80
- acceleration/energy drift too large   15.5957403736890     
-   100.529987369777       split increased to            2  itime      684094 
+ acceleration/energy drift too large   6.58667237318857     
+   15.8494980644016       split increased to            2  itime      681891 
   itsplit           1
- acceleration/energy drift too large   9.83184684252943     
-   24.3029551929358       split increased to            2  itime      684120 
+Momenta zeroed out, time           136399.80
+ acceleration/energy drift too large   6.62735859535211     
+   48.0617498090296       split increased to            2  itime      682155 
   itsplit           1
- acceleration/energy drift too large   5.25769063017801     
-   16.6035434460065       split increased to            2  itime      684898 
+ acceleration/energy drift too large   1.60675321214488     
+   11.3791198506385       split increased to            4  itime      682155 
+  itsplit           2
+ acceleration/energy drift too large   5.97138001014810     
+   17.0695404505420       split increased to            2  itime      682831 
   itsplit           1
-Momenta zeroed out, time           136999.80
- acceleration/energy drift too large   7.12952936638974     
-   25.8947939258346       split increased to            2  itime      685223 
+Momenta zeroed out, time           136599.80
+ acceleration/energy drift too large   5.96542111104526     
+   15.8917107306586       split increased to            2  itime      683160 
+  itsplit           1
+ acceleration/energy drift too large   5.41801380816136     
+   16.2832459231711       split increased to            2  itime      683871 
+  itsplit           1
+Momenta zeroed out, time           136799.80
+ acceleration/energy drift too large   5.23158979770223     
+   26.7338012929503       split increased to            2  itime      684519 
+  itsplit           1
+ acceleration/energy drift too large   6.77988944223573     
+   44.7883146880138       split increased to            2  itime      684690 
   itsplit           1
- acceleration/energy drift too large   4.63303240013774     
-   11.1329907413436       split increased to            2  itime      685991 
+Momenta zeroed out, time           136999.80
+ acceleration/energy drift too large   3.63674657160454     
+   11.9287571538758       split increased to            2  itime      685210 
   itsplit           1
 Momenta zeroed out, time           137199.80
+ acceleration/energy drift too large   3.88131856924305     
+   14.7760043761661       split increased to            2  itime      686534 
+  itsplit           1
+ acceleration/energy drift too large   3.92277315861668     
+   21.3786610220116       split increased to            2  itime      686886 
+  itsplit           1
+ acceleration/energy drift too large   4.54518243729281     
+   24.8901957683960       split increased to            2  itime      686997 
+  itsplit           1
 Momenta zeroed out, time           137399.80
- acceleration/energy drift too large   5.07414412243979     
-   12.6462320374530       split increased to            2  itime      687621 
+ acceleration/energy drift too large   4.55018050289101     
+   10.5614077198606       split increased to            2  itime      687330 
+  itsplit           1
+ acceleration/energy drift too large   3.94141508285101     
+   12.0610303140682       split increased to            2  itime      687865 
   itsplit           1
 Momenta zeroed out, time           137599.80
 Momenta zeroed out, time           137799.80
- acceleration/energy drift too large   3.01217530322852     
-   13.2972308200015       split increased to            2  itime      689338 
+ acceleration/energy drift too large   5.89256913344445     
+   19.2228729123121       split increased to            2  itime      689525 
   itsplit           1
 Velocities reset to random values, time           137999.80
 Momenta zeroed out, time           137999.80
-Momenta zeroed out, time           138199.80
- acceleration/energy drift too large   9.74252210426726     
-   38.2806045328369       split increased to            2  itime      691256 
-  itsplit           1
- acceleration/energy drift too large   1.61133724736518     
-   12.7016858659306       split increased to            2  itime      691257 
+ acceleration/energy drift too large   2.95392582960432     
+   20.7707422493518       split increased to            2  itime      690899 
   itsplit           1
+Momenta zeroed out, time           138199.80
 Momenta zeroed out, time           138399.80
- acceleration/energy drift too large   8.47419912796185     
-   41.4692767608588       split increased to            2  itime      692941 
+ acceleration/energy drift too large   4.57662610894787     
+   20.5553102517756       split increased to            2  itime      692523 
   itsplit           1
 Momenta zeroed out, time           138599.80
- acceleration/energy drift too large   2.88635887972038     
-   10.8788020719459       split increased to            2  itime      693078 
+ acceleration/energy drift too large   7.17783757065027     
+   17.6848893015849       split increased to            2  itime      693111 
   itsplit           1
- acceleration/energy drift too large   2.43534717692471     
-   14.5381431797201       split increased to            2  itime      693509 
+ acceleration/energy drift too large   4.55754797407271     
+   15.8395949942216       split increased to            2  itime      693469 
   itsplit           1
-Momenta zeroed out, time           138799.80
-Momenta zeroed out, time           138999.80
- acceleration/energy drift too large   9.77227846293454     
-   48.9402560343575       split increased to            2  itime      695433 
+ acceleration/energy drift too large   4.76655983201453     
+   16.1780128383195       split increased to            2  itime      693853 
   itsplit           1
- acceleration/energy drift too large   6.59413665930519     
-   26.4554029254862       split increased to            2  itime      695781 
+ acceleration/energy drift too large   4.88532599694357     
+   19.9590143079145       split increased to            2  itime      693872 
+  itsplit           1
+Momenta zeroed out, time           138799.80
+ acceleration/energy drift too large   5.69144356969060     
+   25.7192607452662       split increased to            2  itime      694376 
   itsplit           1
+Momenta zeroed out, time           138999.80
 Momenta zeroed out, time           139199.80
- acceleration/energy drift too large   8.70742790864525     
-   36.3768249286129       split increased to            2  itime      696100 
+ acceleration/energy drift too large   5.14553187504108     
+   16.1781926681402       split increased to            2  itime      696530 
   itsplit           1
 Momenta zeroed out, time           139399.80
- acceleration/energy drift too large   6.05452732613789     
-   15.3132052409431       split increased to            2  itime      697417 
+ acceleration/energy drift too large   5.15925041139462     
+   20.0870447934610       split increased to            2  itime      697522 
   itsplit           1
 Momenta zeroed out, time           139599.80
- acceleration/energy drift too large   2.99180550213087     
-   16.3124095843649       split increased to            2  itime      698298 
+ acceleration/energy drift too large   4.28410452769023     
+   25.9293463384209       split increased to            2  itime      698243 
   itsplit           1
 Momenta zeroed out, time           139799.80
- acceleration/energy drift too large   2.51836566938288     
-   10.8979349767149       split increased to            2  itime      699181 
+ acceleration/energy drift too large   6.37032207164267     
+   20.0583020249492       split increased to            2  itime      699343 
+  itsplit           1
+ acceleration/energy drift too large   5.28339816348471     
+   29.5861020960383       split increased to            2  itime      699680 
+  itsplit           1
+ acceleration/energy drift too large   4.54715344192330     
+   23.2207180447490       split increased to            2  itime      699761 
+  itsplit           1
+ acceleration/energy drift too large   9.11838292830561     
+   44.6037167074590       split increased to            2  itime      699882 
+  itsplit           1
+ acceleration/energy drift too large   2.12853241893196     
+   12.4209690731863       split increased to            2  itime      699959 
   itsplit           1
 Velocities reset to random values, time           139999.80
 Momenta zeroed out, time           139999.80
- acceleration/energy drift too large   5.40173834424031     
-   35.2783214172338       split increased to            2  itime      700324 
+ acceleration/energy drift too large   3.60684751497010     
+   11.2527763463294       split increased to            2  itime      700133 
   itsplit           1
- acceleration/energy drift too large   5.93907726250123     
-   16.9189834295338       split increased to            2  itime      700548 
+ acceleration/energy drift too large   6.16904263564318     
+   12.0966181988170       split increased to            2  itime      700180 
   itsplit           1
- acceleration/energy drift too large   9.28674774921210     
-   43.2157077289336       split increased to            2  itime      700851 
+ acceleration/energy drift too large   9.13706678819126     
+   37.4285014363373       split increased to            2  itime      700262 
   itsplit           1
-Momenta zeroed out, time           140199.80
- acceleration/energy drift too large   3.71987660602855     
-   11.5855941803859       split increased to            2  itime      701350 
+ acceleration/energy drift too large   7.43837420366838     
+   22.4184989478579       split increased to            2  itime      700949 
   itsplit           1
- acceleration/energy drift too large   2.82521127440252     
-   11.6356699762483       split increased to            2  itime      701441 
+Momenta zeroed out, time           140199.80
+ acceleration/energy drift too large   2.79508994225330     
+   10.8589112374283       split increased to            2  itime      701596 
   itsplit           1
 Momenta zeroed out, time           140399.80
- acceleration/energy drift too large   6.58683430687993     
-   18.8661818572225       split increased to            2  itime      702372 
+ acceleration/energy drift too large   2.40990669177411     
+   14.8285692415788       split increased to            2  itime      702231 
   itsplit           1
- acceleration/energy drift too large   6.27471451127986     
-   46.5071828040157       split increased to            2  itime      702735 
+ acceleration/energy drift too large   2.57510290604082     
+   21.7307157519805       split increased to            2  itime      702642 
   itsplit           1
 Momenta zeroed out, time           140599.80
- acceleration/energy drift too large   6.04041547122470     
-   12.0193847966954       split increased to            2  itime      703427 
-  itsplit           1
- acceleration/energy drift too large   4.87883201133441     
-   26.2032310402757       split increased to            2  itime      703512 
+ acceleration/energy drift too large   4.35232290553461     
+   11.1262659868794       split increased to            2  itime      703563 
   itsplit           1
- acceleration/energy drift too large   5.19916710806677     
-   18.2867636447352       split increased to            2  itime      703638 
-  itsplit           1
- acceleration/energy drift too large   7.36222862308382     
-   27.1124157246291       split increased to            2  itime      703707 
+ acceleration/energy drift too large   4.39951884301948     
+   12.8239779772804       split increased to            2  itime      703923 
   itsplit           1
 Momenta zeroed out, time           140799.80
- acceleration/energy drift too large   5.34438597046097     
-   32.7157187432898       split increased to            2  itime      704020 
-  itsplit           1
- acceleration/energy drift too large   2.42163872878208     
-   10.2290127055955       split increased to            2  itime      704224 
+ acceleration/energy drift too large   4.96034356597724     
+   28.9901601024850       split increased to            2  itime      704405 
   itsplit           1
- acceleration/energy drift too large   3.62541931352095     
-   14.6194136206144       split increased to            2  itime      704884 
+ acceleration/energy drift too large   3.79379084503052     
+   15.0426946572386       split increased to            2  itime      704940 
   itsplit           1
 Momenta zeroed out, time           140999.80
- acceleration/energy drift too large   4.74066228274141     
-   13.7460603964116       split increased to            2  itime      705384 
+ acceleration/energy drift too large   2.43144742112816     
+   10.5360914072424       split increased to            2  itime      705372 
+  itsplit           1
+ acceleration/energy drift too large   11.9605295419970     
+   80.2918303794400       split increased to            2  itime      705825 
   itsplit           1
 Momenta zeroed out, time           141199.80
- acceleration/energy drift too large   3.79260806938812     
-   14.9363733324934       split increased to            2  itime      706175 
+Momenta zeroed out, time           141399.80
+ acceleration/energy drift too large   4.82657909715175     
+   13.3144718854491       split increased to            2  itime      707343 
   itsplit           1
- acceleration/energy drift too large   6.23600928028343     
-   18.2831705808806       split increased to            2  itime      706256 
+Momenta zeroed out, time           141599.80
+ acceleration/energy drift too large   7.59233505081233     
+   37.4805257426948       split increased to            2  itime      708073 
   itsplit           1
- acceleration/energy drift too large   5.39475980517255     
-   26.0755103497907       split increased to            2  itime      706337 
+ acceleration/energy drift too large   9.40799430052521     
+   71.6427280993096       split increased to            2  itime      708190 
   itsplit           1
-Momenta zeroed out, time           141399.80
-Momenta zeroed out, time           141599.80
-Momenta zeroed out, time           141799.80
- acceleration/energy drift too large   7.39735293670712     
-   24.4798174776797       split increased to            2  itime      709102 
+ acceleration/energy drift too large   8.30027959538790     
+   29.8962546582864       split increased to            2  itime      708260 
   itsplit           1
- acceleration/energy drift too large   2.51122086113184     
-   11.4938176304052       split increased to            2  itime      709156 
+ acceleration/energy drift too large   3.57272025081847     
+   17.8981611366133       split increased to            2  itime      708712 
   itsplit           1
- acceleration/energy drift too large   3.04374267378414     
-   18.7625135809626       split increased to            2  itime      709874 
+Momenta zeroed out, time           141799.80
+ acceleration/energy drift too large   7.74672079064674     
+   25.1179087642167       split increased to            2  itime      709277 
   itsplit           1
 Velocities reset to random values, time           141999.80
 Momenta zeroed out, time           141999.80
+ acceleration/energy drift too large   3.39052229283404     
+   13.2716847987053       split increased to            2  itime      710372 
+  itsplit           1
 Momenta zeroed out, time           142199.80
+ acceleration/energy drift too large   13.2526568016037     
+   70.2789851302130       split increased to            2  itime      711160 
+  itsplit           1
+ acceleration/energy drift too large   2.94413323232951     
+   11.7569510692933       split increased to            2  itime      711204 
+  itsplit           1
+ acceleration/energy drift too large   5.19738464603031     
+   11.3044590449245       split increased to            2  itime      711233 
+  itsplit           1
 Momenta zeroed out, time           142399.80
-Momenta zeroed out, time           142599.80
- acceleration/energy drift too large   3.53041399184380     
-   25.7393903913551       split increased to            2  itime      713780 
+ acceleration/energy drift too large   6.39992773843750     
+   13.7619270598607       split increased to            2  itime      712426 
   itsplit           1
+ acceleration/energy drift too large   3.81612753062692     
+   12.9873434478340       split increased to            2  itime      712615 
+  itsplit           1
+Momenta zeroed out, time           142599.80
 Momenta zeroed out, time           142799.80
- acceleration/energy drift too large   4.29654848312643     
-   14.8987961308265       split increased to            2  itime      714706 
+ acceleration/energy drift too large   2.90404779505460     
+   11.8810980568190       split increased to            2  itime      714141 
   itsplit           1
 Momenta zeroed out, time           142999.80
- acceleration/energy drift too large   5.61110364536226     
-   16.4364564229126       split increased to            2  itime      715188 
-  itsplit           1
- acceleration/energy drift too large   2.54127602655951     
-   17.6009045792313       split increased to            2  itime      715200 
+ acceleration/energy drift too large   13.0174129219225     
+   82.3913331677041       split increased to            2  itime      715974 
   itsplit           1
 Momenta zeroed out, time           143199.80
- acceleration/energy drift too large   3.06249204884136     
-   17.4646075943049       split increased to            2  itime      716252 
-  itsplit           1
- acceleration/energy drift too large   2.29147944969805     
-   14.7930101758742       split increased to            2  itime      716490 
+ acceleration/energy drift too large   2.82984071043216     
+   11.6324224049004       split increased to            2  itime      716859 
   itsplit           1
 Momenta zeroed out, time           143399.80
- acceleration/energy drift too large   6.92671660758092     
-   22.1051205263174       split increased to            2  itime      717997 
+ acceleration/energy drift too large   9.99840252214959     
+   47.0508450283450       split increased to            2  itime      717274 
+  itsplit           1
+ acceleration/energy drift too large   13.7117117912459     
+   84.0916898171020       split increased to            2  itime      717938 
   itsplit           1
 Momenta zeroed out, time           143599.80
+ acceleration/energy drift too large   3.75553545399898     
+   22.7854472086259       split increased to            2  itime      718173 
+  itsplit           1
+ acceleration/energy drift too large   4.06975005468372     
+   15.5594077318710       split increased to            2  itime      718593 
+  itsplit           1
+ acceleration/energy drift too large   4.83986965094157     
+   31.7335707479747       split increased to            2  itime      718644 
+  itsplit           1
+ acceleration/energy drift too large   4.60428100568432     
+   12.3794878497207       split increased to            2  itime      718651 
+  itsplit           1
+ acceleration/energy drift too large   4.93959529730684     
+   30.6105227357250       split increased to            2  itime      718829 
+  itsplit           1
 Momenta zeroed out, time           143799.80
- acceleration/energy drift too large   3.08508204871668     
-   10.7183434837024       split increased to            2  itime      719214 
+ acceleration/energy drift too large   4.85107782474049     
+   10.6554707337544       split increased to            2  itime      719324 
   itsplit           1
- acceleration/energy drift too large   3.95789581169645     
-   12.4380268899135       split increased to            2  itime      719249 
+ acceleration/energy drift too large   6.26802726007796     
+   36.9632319787337       split increased to            2  itime      719420 
   itsplit           1
+ acceleration/energy drift too large   13.1153370759413     
+   68.5277256120504       split increased to            2  itime      719701 
+  itsplit           1
+ acceleration/energy drift too large   3.20797826718952     
+   16.1963186937334       split increased to            4  itime      719701 
+  itsplit           2
 Velocities reset to random values, time           143999.80
 Momenta zeroed out, time           143999.80
- acceleration/energy drift too large   7.53678680644430     
-   26.8911729700380       split increased to            2  itime      720726 
+ acceleration/energy drift too large   7.65861523397116     
+   24.5773971794132       split increased to            2  itime      720829 
   itsplit           1
-Momenta zeroed out, time           144199.80
- acceleration/energy drift too large   6.61252362593923     
-   21.9183566038626       split increased to            2  itime      721789 
+ acceleration/energy drift too large   6.09738761971568     
+   34.4895492271342       split increased to            2  itime      720920 
   itsplit           1
- acceleration/energy drift too large   2.61294337280004     
-   17.9770272015552       split increased to            2  itime      721790 
+ acceleration/energy drift too large   4.50736538611676     
+   13.3152703696133       split increased to            2  itime      720939 
   itsplit           1
+Momenta zeroed out, time           144199.80
 Momenta zeroed out, time           144399.80
- acceleration/energy drift too large   4.24126082037695     
-   11.9426414957271       split increased to            2  itime      722312 
+ acceleration/energy drift too large   9.83897772455235     
+   39.6919389817299       split increased to            2  itime      722020 
   itsplit           1
 Momenta zeroed out, time           144599.80
- acceleration/energy drift too large   2.58952932858126     
-   14.4220901278722       split increased to            2  itime      723432 
-  itsplit           1
- acceleration/energy drift too large   12.3120684139270     
-   72.6019471086458       split increased to            2  itime      723443 
+ acceleration/energy drift too large   3.63810455598583     
+   10.2502664245818       split increased to            2  itime      723701 
   itsplit           1
 Momenta zeroed out, time           144799.80
- acceleration/energy drift too large   4.19146984540642     
-   20.7430281313158       split increased to            2  itime      724609 
+ acceleration/energy drift too large   8.19557050454594     
+   105.908433167492       split increased to            2  itime      724551 
   itsplit           1
- acceleration/energy drift too large   4.53148244929903     
-   18.0791456390957       split increased to            2  itime      724638 
+ acceleration/energy drift too large   2.55936920835812     
+   37.1834985728990       split increased to            4  itime      724551 
   itsplit           1
- acceleration/energy drift too large   3.21740269060062     
-   13.5360693417150       split increased to            2  itime      724763 
+ acceleration/energy drift too large   3.79008748628079     
+   16.0551519855668       split increased to            2  itime      724830 
   itsplit           1
 Momenta zeroed out, time           144999.80
- acceleration/energy drift too large   5.47114927811600     
-   32.7330450339981       split increased to            2  itime      725683 
+ acceleration/energy drift too large   9.31142937127738     
+   39.4031189206224       split increased to            2  itime      725828 
   itsplit           1
 Momenta zeroed out, time           145199.80
- acceleration/energy drift too large   5.07468812666357     
-   14.4829508602184       split increased to            2  itime      726979 
+ acceleration/energy drift too large   5.01485400856957     
+   17.7376069334575       split increased to            2  itime      726206 
   itsplit           1
 Momenta zeroed out, time           145399.80
- acceleration/energy drift too large   4.45372920300765     
-   12.8739389053919       split increased to            2  itime      727486 
-  itsplit           1
 Momenta zeroed out, time           145599.80
- acceleration/energy drift too large   6.45250291576539     
-   16.1205377572050       split increased to            2  itime      728341 
+ acceleration/energy drift too large   14.8199715706027     
+   86.1847700988900       split increased to            2  itime      728081 
   itsplit           1
- acceleration/energy drift too large   2.43365037134983     
-   13.7866219234902       split increased to            2  itime      728513 
+ acceleration/energy drift too large   12.7352109972966     
+   109.340631260764       split increased to            2  itime      728210 
   itsplit           1
- acceleration/energy drift too large   3.02842737466270     
-   21.7248305878328       split increased to            2  itime      728637 
+ acceleration/energy drift too large   6.44718401347045     
+   46.9528414146666       split increased to            4  itime      728210 
   itsplit           1
 Momenta zeroed out, time           145799.80
- acceleration/energy drift too large   6.14834277308890     
-   25.0477903312120       split increased to            2  itime      729212 
+ acceleration/energy drift too large   5.77768824941184     
+   15.2235415033780       split increased to            2  itime      729083 
+  itsplit           1
+ acceleration/energy drift too large   4.80809542179306     
+   12.0968145230611       split increased to            2  itime      729509 
+  itsplit           1
+ acceleration/energy drift too large   13.6730673719581     
+   75.1832131992152       split increased to            2  itime      729783 
   itsplit           1
 Velocities reset to random values, time           145999.80
 Momenta zeroed out, time           145999.80
- acceleration/energy drift too large   6.76864291420176     
-   21.2303368810925       split increased to            2  itime      730659 
+ acceleration/energy drift too large   5.70702938287531     
+   21.0873955047354       split increased to            2  itime      730202 
+  itsplit           1
+ acceleration/energy drift too large   6.45371935631121     
+   19.4085029660738       split increased to            2  itime      730960 
   itsplit           1
 Momenta zeroed out, time           146199.80
- acceleration/energy drift too large   14.4894851803603     
-   93.9833441014222       split increased to            2  itime      731567 
+ acceleration/energy drift too large   4.18995465152336     
+   27.1907291045750       split increased to            2  itime      731465 
+  itsplit           1
+ acceleration/energy drift too large   6.93680305735252     
+   61.6124462149843       split increased to            2  itime      731541 
+  itsplit           1
+ acceleration/energy drift too large   2.03980541594177     
+   23.1886169655184       split increased to            4  itime      731541 
   itsplit           1
 Momenta zeroed out, time           146399.80
- acceleration/energy drift too large   3.71995021324000     
-   12.8114403977870       split increased to            2  itime      732079 
+ acceleration/energy drift too large   4.05107084345167     
+   12.0565292914102       split increased to            2  itime      732071 
   itsplit           1
- acceleration/energy drift too large   2.80981735026486     
-   11.8328561116723       split increased to            2  itime      732495 
+ acceleration/energy drift too large   1.67223264543405     
+   11.1595083106907       split increased to            2  itime      732072 
   itsplit           1
- acceleration/energy drift too large   22.5287221608426     
-   152.713568972880       split increased to            2  itime      732652 
+ acceleration/energy drift too large   2.65118857500666     
+   16.7832429613346       split increased to            2  itime      732073 
   itsplit           1
 Momenta zeroed out, time           146599.80
- acceleration/energy drift too large   4.16829291831876     
-   19.5078152718729       split increased to            2  itime      733339 
-  itsplit           1
-Momenta zeroed out, time           146799.80
- acceleration/energy drift too large   10.2235211212875     
-   53.5193330972263       split increased to            2  itime      734220 
+ acceleration/energy drift too large   2.31691838663078     
+   10.9704675434770       split increased to            2  itime      733650 
   itsplit           1
- acceleration/energy drift too large   2.75218800154313     
-   14.7532865574574       split increased to            4  itime      734220 
+ acceleration/energy drift too large   5.33548795043039     
+   14.3631880286853       split increased to            2  itime      733923 
   itsplit           1
- acceleration/energy drift too large   4.02098979979520     
-   17.3802198609388       split increased to            2  itime      734573 
+Momenta zeroed out, time           146799.80
+ acceleration/energy drift too large   2.51045930401507     
+   15.8272808269117       split increased to            2  itime      734540 
   itsplit           1
- acceleration/energy drift too large   3.91780307336644     
-   13.6864092962465       split increased to            2  itime      734933 
+ acceleration/energy drift too large   5.87895107063051     
+   13.1725628480974       split increased to            2  itime      734574 
   itsplit           1
- acceleration/energy drift too large   6.15476708357265     
-   18.7202833554146       split increased to            2  itime      734971 
+ acceleration/energy drift too large   4.99595313160612     
+   15.6346817486359       split increased to            2  itime      734863 
   itsplit           1
 Momenta zeroed out, time           146999.80
- acceleration/energy drift too large   4.76753758764077     
-   10.0318554526081       split increased to            2  itime      735593 
+ acceleration/energy drift too large   7.77550515912052     
+   26.9524943789428       split increased to            2  itime      735603 
   itsplit           1
 Momenta zeroed out, time           147199.80
- acceleration/energy drift too large   4.21111196322628     
-   21.8829278562279       split increased to            2  itime      736187 
-  itsplit           1
- acceleration/energy drift too large   3.47347857177190     
-   11.9338801196298       split increased to            2  itime      736287 
-  itsplit           1
- acceleration/energy drift too large   4.21242045235432     
-   14.9457463777075       split increased to            2  itime      736325 
+ acceleration/energy drift too large   4.68090175228858     
+   27.8611231118818       split increased to            2  itime      736152 
   itsplit           1
 Momenta zeroed out, time           147399.80
- acceleration/energy drift too large   3.75325213552468     
-   10.7562091987227       split increased to            2  itime      737040 
-  itsplit           1
- acceleration/energy drift too large   5.73555400290391     
-   13.2621477791103       split increased to            2  itime      737184 
-  itsplit           1
- acceleration/energy drift too large   2.49847315410513     
-   20.3018938964190       split increased to            2  itime      737355 
-  itsplit           1
- acceleration/energy drift too large   6.19417805587485     
-   19.9061025600748       split increased to            2  itime      737765 
-  itsplit           1
 Momenta zeroed out, time           147599.80
- acceleration/energy drift too large   13.3425138219027     
-   74.8393652822052       split increased to            2  itime      738861 
+ acceleration/energy drift too large   4.64412543204358     
+   22.9440941187222       split increased to            2  itime      738454 
   itsplit           1
- acceleration/energy drift too large   2.48995751396866     
-   14.1463632117483       split increased to            4  itime      738861 
+ acceleration/energy drift too large   4.89299320464930     
+   18.3499038352937       split increased to            2  itime      738490 
   itsplit           1
-Momenta zeroed out, time           147799.80
- acceleration/energy drift too large   2.25889822612956     
-   14.2589442059524       split increased to            2  itime      739136 
+ acceleration/energy drift too large   6.19326132204486     
+   28.0497011120598       split increased to            2  itime      738529 
   itsplit           1
- acceleration/energy drift too large   6.65552141446381     
-   21.4143396363395       split increased to            2  itime      739247 
+ acceleration/energy drift too large   3.63887196571256     
+   11.9851372391078       split increased to            2  itime      738970 
   itsplit           1
- acceleration/energy drift too large   3.88397739912554     
-   21.2132899446730       split increased to            2  itime      739558 
+Momenta zeroed out, time           147799.80
+ acceleration/energy drift too large   3.92893699610709     
+   10.8636557690991       split increased to            2  itime      739003 
   itsplit           1
- acceleration/energy drift too large   5.31801013530759     
-   18.2616625761241       split increased to            2  itime      739942 
+ acceleration/energy drift too large   8.61609262867526     
+   26.8299976870884       split increased to            2  itime      739750 
   itsplit           1
 Velocities reset to random values, time           147999.80
 Momenta zeroed out, time           147999.80
- acceleration/energy drift too large   9.30553347667998     
-   50.2502766773722       split increased to            2  itime      740065 
+ acceleration/energy drift too large   7.16750359206956     
+   23.5873093820619       split increased to            2  itime      740049 
   itsplit           1
- acceleration/energy drift too large   4.49663121455726     
-   15.6013596206556       split increased to            2  itime      740559 
+ acceleration/energy drift too large   5.25412614226121     
+   11.7746981899031       split increased to            2  itime      740882 
+  itsplit           1
+ acceleration/energy drift too large   5.38175565565376     
+   29.5604312645972       split increased to            2  itime      740969 
   itsplit           1
 Momenta zeroed out, time           148199.80
- acceleration/energy drift too large   3.93753599602511     
-   10.5850510545249       split increased to            2  itime      741322 
+Momenta zeroed out, time           148399.80
+ acceleration/energy drift too large   8.23380631046131     
+   37.4345624110067       split increased to            2  itime      742206 
   itsplit           1
- acceleration/energy drift too large   7.23407959127735     
-   19.8190769821498       split increased to            2  itime      741818 
+ acceleration/energy drift too large   12.8743964548733     
+   73.9089502046970       split increased to            2  itime      742209 
   itsplit           1
-Momenta zeroed out, time           148399.80
 Momenta zeroed out, time           148599.80
- acceleration/energy drift too large   5.85334857188689     
-   36.7485065454256       split increased to            2  itime      743106 
+ acceleration/energy drift too large   4.11425122349679     
+   11.3611864708266       split increased to            2  itime      743384 
+  itsplit           1
+ acceleration/energy drift too large   4.91067512038150     
+   23.8945432368351       split increased to            2  itime      743617 
   itsplit           1
- acceleration/energy drift too large   7.94640162234956     
-   29.9412011139814       split increased to            2  itime      743863 
+ acceleration/energy drift too large   5.04277884356246     
+   17.5452581016269       split increased to            2  itime      743703 
   itsplit           1
- acceleration/energy drift too large   2.31899939173983     
-   10.6753127266811       split increased to            4  itime      743863 
+ acceleration/energy drift too large   4.88133533514094     
+   15.3751856950406       split increased to            2  itime      743902 
+  itsplit           1
+ acceleration/energy drift too large   6.36798768893676     
+   18.7750080874622       split increased to            2  itime      743936 
   itsplit           1
 Momenta zeroed out, time           148799.80
- acceleration/energy drift too large   7.46858199861202     
-   28.6869171451450       split increased to            2  itime      744626 
+ acceleration/energy drift too large   5.61312614320269     
+   18.3786632517630       split increased to            2  itime      744375 
+  itsplit           1
+ acceleration/energy drift too large   7.08685679325115     
+   19.6765171350606       split increased to            2  itime      744471 
+  itsplit           1
+ acceleration/energy drift too large   4.80438240138515     
+   11.4956417720005       split increased to            2  itime      744528 
+  itsplit           1
+ acceleration/energy drift too large   4.28426021424241     
+   19.6023392524215       split increased to            2  itime      744804 
   itsplit           1
 Momenta zeroed out, time           148999.80
-Momenta zeroed out, time           149199.80
- acceleration/energy drift too large   5.06365809670688     
-   20.3439027129178       split increased to            2  itime      746349 
+ acceleration/energy drift too large   4.52858497611834     
+   20.3447359943006       split increased to            2  itime      745264 
   itsplit           1
- acceleration/energy drift too large   7.20619729293125     
-   32.1192552909995       split increased to            2  itime      746460 
+ acceleration/energy drift too large   2.46139562963677     
+   10.5470922658416       split increased to            2  itime      745351 
   itsplit           1
-Momenta zeroed out, time           149399.80
- acceleration/energy drift too large   10.8044840337042     
-   46.5573922206906       split increased to            2  itime      747262 
+ acceleration/energy drift too large   5.91760626896731     
+   22.2733914936017       split increased to            2  itime      745375 
   itsplit           1
- acceleration/energy drift too large   4.26810818589559     
-   11.2395641455767       split increased to            2  itime      747437 
+ acceleration/energy drift too large   4.63583545652557     
+   11.3987368153088       split increased to            2  itime      745530 
   itsplit           1
-Momenta zeroed out, time           149599.80
- acceleration/energy drift too large   3.64447298173287     
-   10.1342243887072       split increased to            2  itime      748219 
+ acceleration/energy drift too large   8.61409454080311     
+   26.8865898640185       split increased to            2  itime      745567 
   itsplit           1
- acceleration/energy drift too large   3.25092403039586     
-   12.1297501805568       split increased to            2  itime      748220 
+ acceleration/energy drift too large   6.96463942899652     
+   22.5087977363622       split increased to            2  itime      745619 
   itsplit           1
- acceleration/energy drift too large   4.47106359407957     
-   10.4130838321293       split increased to            2  itime      748404 
+ acceleration/energy drift too large   3.89715500320257     
+   10.6490344773657       split increased to            2  itime      745974 
   itsplit           1
-Momenta zeroed out, time           149799.80
- acceleration/energy drift too large   4.76089540763706     
-   12.2659983051679       split increased to            2  itime      749077 
+Momenta zeroed out, time           149199.80
+ acceleration/energy drift too large   13.7872418527746     
+   76.7675967591860       split increased to            2  itime      746096 
   itsplit           1
-Velocities reset to random values, time           149999.80
-Momenta zeroed out, time           149999.80
- acceleration/energy drift too large   5.31483792046068     
-   26.3721538404529       split increased to            2  itime      750348 
+ acceleration/energy drift too large   7.23347893650510     
+   24.9733138109766       split increased to            2  itime      746401 
+  itsplit           1
+ acceleration/energy drift too large   3.15188481401441     
+   17.2330573707093       split increased to            2  itime      746402 
   itsplit           1
- acceleration/energy drift too large   7.88830763130388     
-   20.1674199994357       split increased to            2  itime      750611 
+ acceleration/energy drift too large   5.56174834961136     
+   12.3216488698393       split increased to            2  itime      746964 
   itsplit           1
- acceleration/energy drift too large   7.05138418835402     
-   21.7737004587839       split increased to            2  itime      750612 
+Momenta zeroed out, time           149399.80
+ acceleration/energy drift too large   4.36860184477114     
+   15.1834305155856       split increased to            2  itime      747094 
   itsplit           1
- acceleration/energy drift too large   2.25178545865333     
-   10.0109827743330       split increased to            2  itime      750913 
+ acceleration/energy drift too large   6.41908219970362     
+   35.7732282118557       split increased to            2  itime      747152 
   itsplit           1
-Momenta zeroed out, time           150199.80
- acceleration/energy drift too large   4.51180933558488     
-   12.9788059452557       split increased to            2  itime      751380 
+ acceleration/energy drift too large   3.84239539524260     
+   23.1215229188124       split increased to            2  itime      747153 
   itsplit           1
- acceleration/energy drift too large   4.59681147834973     
-   28.5252389006204       split increased to            2  itime      751434 
+ acceleration/energy drift too large   4.31908900522371     
+   13.3787241592581       split increased to            2  itime      747503 
   itsplit           1
- acceleration/energy drift too large   2.33277828287603     
-   11.9921184164322       split increased to            2  itime      751453 
+Momenta zeroed out, time           149599.80
+ acceleration/energy drift too large   5.25251081274293     
+   17.0110298825303       split increased to            2  itime      748017 
   itsplit           1
- acceleration/energy drift too large   5.23304880144037     
-   34.1439910901051       split increased to            2  itime      751488 
+ acceleration/energy drift too large   8.39198718446419     
+   28.2454534445782       split increased to            2  itime      748953 
   itsplit           1
-Momenta zeroed out, time           150399.80
- acceleration/energy drift too large   2.15132101033250     
-   12.3609715126932       split increased to            2  itime      752286 
+Momenta zeroed out, time           149799.80
+ acceleration/energy drift too large   3.62918169840282     
+   12.2295117731901       split increased to            2  itime      749571 
+  itsplit           1
+ acceleration/energy drift too large   3.52479399103521     
+   10.4037668748461       split increased to            2  itime      749633 
   itsplit           1
- acceleration/energy drift too large   4.57860812909890     
-   12.6507336408674       split increased to            2  itime      752399 
+Velocities reset to random values, time           149999.80
+Momenta zeroed out, time           149999.80
+ acceleration/energy drift too large   5.91929576788380     
+   15.8038220793963       split increased to            2  itime      750373 
+  itsplit           1
+Momenta zeroed out, time           150199.80
+ acceleration/energy drift too large   3.82836935711923     
+   11.7887629764910       split increased to            2  itime      751136 
   itsplit           1
- acceleration/energy drift too large   3.32713559960053     
-   10.9912644961985       split increased to            2  itime      752770 
+ acceleration/energy drift too large   11.2957328024116     
+   157.080869309717       split increased to            2  itime      751801 
+  itsplit           1
+Momenta zeroed out, time           150399.80
+ acceleration/energy drift too large   4.41694642591523     
+   12.3811272216983       split increased to            2  itime      752724 
   itsplit           1
 Momenta zeroed out, time           150599.80
- acceleration/energy drift too large   10.7583502081566     
-   64.0822421741170       split increased to            2  itime      753715 
+ acceleration/energy drift too large   5.94500841966020     
+   14.5337008413344       split increased to            2  itime      753364 
+  itsplit           1
+ acceleration/energy drift too large   6.86891836963544     
+   19.8867644748871       split increased to            2  itime      753644 
   itsplit           1
 Momenta zeroed out, time           150799.80
 Momenta zeroed out, time           150999.80
- acceleration/energy drift too large   4.14312665876916     
-   10.7755956751460       split increased to            2  itime      755350 
+ acceleration/energy drift too large   3.97536887786799     
+   10.6030842427117       split increased to            2  itime      755774 
+  itsplit           1
+ acceleration/energy drift too large   4.99985393350612     
+   27.2996149908121       split increased to            2  itime      755775 
   itsplit           1
 Momenta zeroed out, time           151199.80
- acceleration/energy drift too large   8.82324173884775     
-   40.7503765767208       split increased to            2  itime      756025 
+ acceleration/energy drift too large   4.06676712218266     
+   11.0497575518374       split increased to            2  itime      756131 
   itsplit           1
- acceleration/energy drift too large   5.09216959829273     
-   31.4887244814591       split increased to            2  itime      756275 
+ acceleration/energy drift too large   9.58842054034116     
+   40.5892033729799       split increased to            2  itime      756737 
   itsplit           1
- acceleration/energy drift too large   11.7288942791757     
-   50.4426296549166       split increased to            2  itime      756432 
+ acceleration/energy drift too large   2.70745422274659     
+   16.8978612660725       split increased to            2  itime      756752 
   itsplit           1
 Momenta zeroed out, time           151399.80
- acceleration/energy drift too large   7.79955648557006     
-   28.3675652370936       split increased to            2  itime      757029 
+ acceleration/energy drift too large   4.07148504378889     
+   21.1677173680301       split increased to            2  itime      757713 
   itsplit           1
- acceleration/energy drift too large   5.87868900165342     
-   16.1230360603649       split increased to            2  itime      757569 
-  itsplit           1
- acceleration/energy drift too large   10.8012104574815     
-   59.2116321095651       split increased to            2  itime      757711 
-  itsplit           1
- acceleration/energy drift too large   2.80889811749568     
-   15.6996990541355       split increased to            4  itime      757711 
-  itsplit           2
 Momenta zeroed out, time           151599.80
 Momenta zeroed out, time           151799.80
- acceleration/energy drift too large   11.7177793379123     
-   61.5694038438419       split increased to            2  itime      759044 
-  itsplit           1
- acceleration/energy drift too large   3.98412453430714     
-   11.3210990392392       split increased to            2  itime      759784 
+ acceleration/energy drift too large   3.72640283979234     
+   18.1440524535434       split increased to            2  itime      759352 
   itsplit           1
- acceleration/energy drift too large   4.47121773075285     
-   10.3865683415197       split increased to            2  itime      759846 
+ acceleration/energy drift too large   4.23379523818043     
+   10.5156695775546       split increased to            2  itime      759866 
   itsplit           1
 Velocities reset to random values, time           151999.80
 Momenta zeroed out, time           151999.80
- acceleration/energy drift too large   6.97025660084183     
-   25.4063673969544       split increased to            2  itime      760430 
+ acceleration/energy drift too large   4.43745575636765     
+   20.2522837436152       split increased to            2  itime      760243 
+  itsplit           1
+ acceleration/energy drift too large   3.68684121461640     
+   12.2415065527538       split increased to            2  itime      760332 
+  itsplit           1
+ acceleration/energy drift too large   2.12591066975735     
+   11.1452372111940       split increased to            2  itime      760737 
   itsplit           1
 Momenta zeroed out, time           152199.80
-Momenta zeroed out, time           152399.80
- acceleration/energy drift too large   3.77620546926800     
-   10.6764808863697       split increased to            2  itime      762834 
+ acceleration/energy drift too large   2.21720948854865     
+   11.0483605766867       split increased to            2  itime      761364 
   itsplit           1
- acceleration/energy drift too large   7.15764998842350     
-   25.7786666698161       split increased to            2  itime      762874 
+ acceleration/energy drift too large   5.32443326017421     
+   39.4649362236342       split increased to            2  itime      761748 
   itsplit           1
+Momenta zeroed out, time           152399.80
 Momenta zeroed out, time           152599.80
- acceleration/energy drift too large   8.87211149065755     
-   39.5702382208133       split increased to            2  itime      763746 
+ acceleration/energy drift too large   8.27273835710444     
+   20.3847870868061       split increased to            2  itime      763180 
   itsplit           1
-Momenta zeroed out, time           152799.80
- acceleration/energy drift too large   10.2455046983868     
-   52.8556745500079       split increased to            2  itime      764760 
-  itsplit           1
-Momenta zeroed out, time           152999.80
- acceleration/energy drift too large   12.1333131283213     
-   48.6015692788195       split increased to            2  itime      765148 
+ acceleration/energy drift too large   7.38079097969003     
+   47.9124357806189       split increased to            2  itime      763276 
   itsplit           1
- acceleration/energy drift too large   2.79031813368920     
-   10.3564669975304       split increased to            4  itime      765148 
+ acceleration/energy drift too large   2.12183305162151     
+   12.0814028162060       split increased to            4  itime      763276 
   itsplit           2
- acceleration/energy drift too large   4.72666057754301     
-   13.5669093047085       split increased to            2  itime      765193 
+Momenta zeroed out, time           152799.80
+Momenta zeroed out, time           152999.80
+ acceleration/energy drift too large   10.8693513045012     
+   56.2560538348568       split increased to            2  itime      765153 
   itsplit           1
- acceleration/energy drift too large   4.90905452254647     
-   11.1673231794821       split increased to            2  itime      765567 
+ acceleration/energy drift too large   9.55683533039788     
+   40.9904323866667       split increased to            2  itime      765980 
   itsplit           1
+ acceleration/energy drift too large   2.44708918584293     
+   12.3044754869679       split increased to            4  itime      765980 
+  itsplit           2
 Momenta zeroed out, time           153199.80
- acceleration/energy drift too large   5.65848471186689     
-   22.9764230905922       split increased to            2  itime      766030 
+ acceleration/energy drift too large   13.4930614380205     
+   79.2050539357689       split increased to            2  itime      766275 
   itsplit           1
- acceleration/energy drift too large   7.55852350558414     
-   27.8012055198743       split increased to            2  itime      766358 
+ acceleration/energy drift too large   5.14560541941691     
+   23.3738899164092       split increased to            2  itime      766434 
   itsplit           1
- acceleration/energy drift too large   5.09145558920688     
-   26.0701486782565       split increased to            2  itime      766547 
+ acceleration/energy drift too large   4.52426434933193     
+   16.4405557576629       split increased to            2  itime      766618 
   itsplit           1
- acceleration/energy drift too large   11.9966790186825     
-   72.6807086551689       split increased to            2  itime      766619 
+ acceleration/energy drift too large   4.62464849234562     
+   11.4928850563106       split increased to            2  itime      766881 
   itsplit           1
 Momenta zeroed out, time           153399.80
- acceleration/energy drift too large   3.88656814538451     
-   17.3413714971350       split increased to            2  itime      767946 
+ acceleration/energy drift too large   5.43370772077930     
+   10.9572370856188       split increased to            2  itime      767182 
+  itsplit           1
+ acceleration/energy drift too large   4.93554842622668     
+   12.7281946018132       split increased to            2  itime      767746 
   itsplit           1
 Momenta zeroed out, time           153599.80
- acceleration/energy drift too large   1.90353866759225     
-   10.0989265674301       split increased to            2  itime      768171 
+ acceleration/energy drift too large   3.99233477870770     
+   11.2400966146710       split increased to            2  itime      768354 
   itsplit           1
 Momenta zeroed out, time           153799.80
- acceleration/energy drift too large   4.22256699480115     
-   22.4838922704127       split increased to            2  itime      769775 
+ acceleration/energy drift too large   8.36992772800971     
+   25.7920731761059       split increased to            2  itime      769198 
+  itsplit           1
+ acceleration/energy drift too large   7.88714191098254     
+   29.0190292295756       split increased to            2  itime      769321 
   itsplit           1
 Velocities reset to random values, time           153999.80
 Momenta zeroed out, time           153999.80
- acceleration/energy drift too large   3.61261533938841     
-   18.9216929943371       split increased to            2  itime      770474 
-  itsplit           1
- acceleration/energy drift too large   5.36045052222762     
-   13.1588183108004       split increased to            2  itime      770483 
-  itsplit           1
- acceleration/energy drift too large   4.94100915779621     
-   14.5916676761230       split increased to            2  itime      770997 
+ acceleration/energy drift too large   5.41419364047255     
+   30.6574441153767       split increased to            2  itime      770534 
   itsplit           1
 Momenta zeroed out, time           154199.80
- acceleration/energy drift too large   3.63223702732937     
-   10.5099627649879       split increased to            2  itime      771072 
-  itsplit           1
- acceleration/energy drift too large   2.52670016410062     
-   11.0506874101915       split increased to            2  itime      771074 
-  itsplit           1
- acceleration/energy drift too large   9.88884337597220     
-   41.2807393537217       split increased to            2  itime      771486 
+Momenta zeroed out, time           154399.80
+ acceleration/energy drift too large   5.73169633619021     
+   37.8912951657683       split increased to            2  itime      772498 
   itsplit           1
- acceleration/energy drift too large   2.14589801236317     
-   18.2654198430577       split increased to            2  itime      771487 
+ acceleration/energy drift too large   4.09835041406864     
+   10.1872114601875       split increased to            2  itime      772584 
   itsplit           1
-Momenta zeroed out, time           154399.80
- acceleration/energy drift too large   4.78977598662603     
-   12.7191490657854       split increased to            2  itime      772503 
+ acceleration/energy drift too large   7.26555296881274     
+   26.6307189941150       split increased to            2  itime      772756 
   itsplit           1
- acceleration/energy drift too large   3.81464184925651     
-   14.6340148137892       split increased to            2  itime      772879 
+ acceleration/energy drift too large   6.68883969127992     
+   17.2783637945710       split increased to            2  itime      772759 
   itsplit           1
 Momenta zeroed out, time           154599.80
- acceleration/energy drift too large   3.33492177450724     
-   16.7479656704293       split increased to            2  itime      773775 
+ acceleration/energy drift too large   10.2354322428916     
+   66.1871647653734       split increased to            2  itime      773882 
   itsplit           1
+ acceleration/energy drift too large   2.63881141204044     
+   16.5366123634260       split increased to            4  itime      773882 
+  itsplit           2
 Momenta zeroed out, time           154799.80
- acceleration/energy drift too large   2.63837264231529     
-   12.6888256552677       split increased to            2  itime      774311 
+ acceleration/energy drift too large   8.07466956318800     
+   25.6383462829534       split increased to            2  itime      774299 
+  itsplit           1
+ acceleration/energy drift too large   4.06966095281806     
+   12.9932579027227       split increased to            2  itime      774875 
   itsplit           1
- acceleration/energy drift too large   8.97103793224777     
-   40.9812038390643       split increased to            2  itime      774977 
+ acceleration/energy drift too large   3.84353822761880     
+   14.0376000123784       split increased to            2  itime      774981 
   itsplit           1
 Momenta zeroed out, time           154999.80
- acceleration/energy drift too large   10.5045258238753     
-   53.0994359030315       split increased to            2  itime      775119 
+Momenta zeroed out, time           155199.80
+ acceleration/energy drift too large   4.18755891640865     
+   10.5044638147130       split increased to            2  itime      776164 
   itsplit           1
- acceleration/energy drift too large   2.56478724023337     
-   14.2910522968156       split increased to            2  itime      775843 
+ acceleration/energy drift too large   3.89524025355867     
+   12.3188941900152       split increased to            2  itime      776606 
   itsplit           1
- acceleration/energy drift too large   3.08884610492293     
-   12.6015088253827       split increased to            2  itime      775856 
+ acceleration/energy drift too large   7.45754294126036     
+   49.6522566288501       split increased to            2  itime      776876 
   itsplit           1
-Momenta zeroed out, time           155199.80
- acceleration/energy drift too large   4.13993149139305     
-   11.9783053061828       split increased to            2  itime      776457 
+Momenta zeroed out, time           155399.80
+ acceleration/energy drift too large   6.22003651047863     
+   12.4866038395276       split increased to            2  itime      777161 
   itsplit           1
- acceleration/energy drift too large   3.38100394808720     
-   12.8410445909944       split increased to            2  itime      776809 
+ acceleration/energy drift too large   2.33461702059988     
+   15.0084314470639       split increased to            2  itime      777164 
   itsplit           1
-Momenta zeroed out, time           155399.80
- acceleration/energy drift too large   5.83737832381672     
-   38.5050248021307       split increased to            2  itime      777517 
+ acceleration/energy drift too large   2.65612213190366     
+   13.0611467639858       split increased to            2  itime      777229 
+  itsplit           1
+ acceleration/energy drift too large   4.77858277836209     
+   12.3435277649479       split increased to            2  itime      777230 
+  itsplit           1
+ acceleration/energy drift too large   3.19773750701474     
+   16.8671080309768       split increased to            2  itime      777618 
   itsplit           1
 Momenta zeroed out, time           155599.80
+ acceleration/energy drift too large   6.28508193602837     
+   19.8655546288503       split increased to            2  itime      778799 
+  itsplit           1
 Momenta zeroed out, time           155799.80
- acceleration/energy drift too large   3.93256006665378     
-   10.2346601226223       split increased to            2  itime      779414 
+ acceleration/energy drift too large   4.66894315616054     
+   15.1620806289613       split increased to            2  itime      779010 
+  itsplit           1
+ acceleration/energy drift too large   6.77867416852493     
+   12.7563994836749       split increased to            2  itime      779027 
   itsplit           1
- acceleration/energy drift too large   4.35390721241871     
-   14.1247990004734       split increased to            2  itime      779725 
+ acceleration/energy drift too large   7.63095301061779     
+   37.2248330793258       split increased to            2  itime      779039 
   itsplit           1
 Velocities reset to random values, time           155999.80
 Momenta zeroed out, time           155999.80
- acceleration/energy drift too large   4.05547828328411     
-   14.2432558889226       split increased to            2  itime      780545 
-  itsplit           1
- acceleration/energy drift too large   3.54490419973322     
-   15.1470345917647       split increased to            2  itime      780631 
-  itsplit           1
 Momenta zeroed out, time           156199.80
- acceleration/energy drift too large   4.77398157603025     
-   30.1696394960086       split increased to            2  itime      781316 
-  itsplit           1
- acceleration/energy drift too large   2.26238025120137     
-   11.8697514467389       split increased to            2  itime      781469 
-  itsplit           1
- acceleration/energy drift too large   3.40896777907715     
-   10.9481212427636       split increased to            2  itime      781530 
-  itsplit           1
- acceleration/energy drift too large   3.70730182853505     
-   15.0887861770830       split increased to            2  itime      781542 
+ acceleration/energy drift too large   7.11385458345615     
+   24.4662427607034       split increased to            2  itime      781030 
   itsplit           1
 Momenta zeroed out, time           156399.80
- acceleration/energy drift too large   6.41350921529350     
-   31.1288683468489       split increased to            2  itime      782490 
+ acceleration/energy drift too large   6.43732236394176     
+   26.2644755304180       split increased to            2  itime      782275 
   itsplit           1
- acceleration/energy drift too large   7.07443885452563     
-   26.0295779718175       split increased to            2  itime      782812 
+ acceleration/energy drift too large   5.64856548361005     
+   19.9873646235749       split increased to            2  itime      782353 
   itsplit           1
 Momenta zeroed out, time           156599.80
- acceleration/energy drift too large   4.98663975939911     
-   11.4149270459988       split increased to            2  itime      783289 
+ acceleration/energy drift too large   3.73954360914598     
+   17.4245693696133       split increased to            2  itime      783438 
   itsplit           1
 Momenta zeroed out, time           156799.80
- acceleration/energy drift too large   7.76636700546156     
-   26.1347277270180       split increased to            2  itime      784696 
-  itsplit           1
- acceleration/energy drift too large   4.78398690757029     
-   17.3477917871406       split increased to            2  itime      784717 
+ acceleration/energy drift too large   3.70017640401973     
+   19.8321430557860       split increased to            2  itime      784219 
   itsplit           1
 Momenta zeroed out, time           156999.80
- acceleration/energy drift too large   10.7457344227067     
-   58.0374205943224       split increased to            2  itime      785337 
-  itsplit           1
- acceleration/energy drift too large   5.15392149171388     
-   17.6617258655237       split increased to            2  itime      785959 
+ acceleration/energy drift too large   3.63200493750097     
+   11.5998441381612       split increased to            2  itime      785210 
   itsplit           1
 Momenta zeroed out, time           157199.80
- acceleration/energy drift too large   5.93484865470077     
-   16.2113493557077       split increased to            2  itime      786397 
-  itsplit           1
- acceleration/energy drift too large   6.71863339688318     
-   22.5853701049900       split increased to            2  itime      786414 
+ acceleration/energy drift too large   2.99480407840255     
+   21.3738283594533       split increased to            2  itime      786094 
   itsplit           1
- acceleration/energy drift too large   5.50260151968695     
-   13.4227595294527       split increased to            2  itime      786707 
+ acceleration/energy drift too large   4.43140095422074     
+   10.4981700074467       split increased to            2  itime      786125 
   itsplit           1
 Momenta zeroed out, time           157399.80
-Momenta zeroed out, time           157599.80
- acceleration/energy drift too large   5.38845520435395     
-   24.9368954159047       split increased to            2  itime      788347 
+ acceleration/energy drift too large   5.52624311577576     
+   14.8037364617501       split increased to            2  itime      787437 
   itsplit           1
- acceleration/energy drift too large   2.32197095851090     
-   14.1348849375415       split increased to            2  itime      788808 
+ acceleration/energy drift too large   11.3575392135823     
+   68.9866569813206       split increased to            2  itime      787523 
   itsplit           1
-Momenta zeroed out, time           157799.80
- acceleration/energy drift too large   3.38035167305042     
-   12.1354686484841       split increased to            2  itime      789066 
+Momenta zeroed out, time           157599.80
+ acceleration/energy drift too large   3.33802365338520     
+   20.4557167459332       split increased to            2  itime      788090 
+  itsplit           1
+ acceleration/energy drift too large   4.20924913224089     
+   20.9453274392381       split increased to            2  itime      788163 
   itsplit           1
- acceleration/energy drift too large   9.76102633547505     
-   42.1885630614020       split increased to            2  itime      789175 
+ acceleration/energy drift too large   5.59783886605427     
+   19.4232346585682       split increased to            2  itime      788979 
   itsplit           1
- acceleration/energy drift too large   6.04713328290722     
-   14.5755701816875       split increased to            2  itime      789503 
+Momenta zeroed out, time           157799.80
+ acceleration/energy drift too large   2.31992830953655     
+   10.1225657648253       split increased to            2  itime      789110 
   itsplit           1
- acceleration/energy drift too large   4.83187835325579     
-   30.5546873931156       split increased to            2  itime      789759 
+ acceleration/energy drift too large   5.84380298625598     
+   18.3198109680826       split increased to            2  itime      789166 
   itsplit           1
- acceleration/energy drift too large   3.05514249496559     
-   20.7834158626636       split increased to            2  itime      789804 
+ acceleration/energy drift too large   6.29015805338393     
+   17.4767189251805       split increased to            2  itime      789634 
   itsplit           1
 Velocities reset to random values, time           157999.80
 Momenta zeroed out, time           157999.80
+ acceleration/energy drift too large   6.11613722238190     
+   20.5622068408533       split increased to            2  itime      790509 
+  itsplit           1
+ acceleration/energy drift too large   5.11980136780740     
+   15.1363235142032       split increased to            2  itime      790794 
+  itsplit           1
 Momenta zeroed out, time           158199.80
+ acceleration/energy drift too large   6.23175651875879     
+   22.9453609398341       split increased to            2  itime      791325 
+  itsplit           1
+ acceleration/energy drift too large   14.1368837416799     
+   85.9549359899397       split increased to            2  itime      791411 
+  itsplit           1
+ acceleration/energy drift too large   4.94686915249666     
+   29.6578129141038       split increased to            2  itime      791622 
+  itsplit           1
 Momenta zeroed out, time           158399.80
- acceleration/energy drift too large   4.39378485855049     
-   10.4740456112043       split increased to            2  itime      792290 
+ acceleration/energy drift too large   4.40713505385090     
+   12.5629226604293       split increased to            2  itime      792059 
   itsplit           1
- acceleration/energy drift too large   4.91505737522998     
-   19.0442273467166       split increased to            2  itime      792363 
+ acceleration/energy drift too large   4.11989092356571     
+   27.3524088324533       split increased to            2  itime      792081 
   itsplit           1
-Momenta zeroed out, time           158599.80
- acceleration/energy drift too large   5.28680300747393     
-   28.0988971996305       split increased to            2  itime      793653 
+ acceleration/energy drift too large   3.67464326063823     
+   14.6877582299733       split increased to            2  itime      792767 
   itsplit           1
+Momenta zeroed out, time           158599.80
 Momenta zeroed out, time           158799.80
 Momenta zeroed out, time           158999.80
+ acceleration/energy drift too large   6.65919450130075     
+   13.8824020762997       split increased to            2  itime      795241 
+  itsplit           1
+ acceleration/energy drift too large   2.96936553118169     
+   11.5233243910643       split increased to            2  itime      795242 
+  itsplit           1
+ acceleration/energy drift too large   3.94725930507192     
+   17.5773075497164       split increased to            2  itime      795640 
+  itsplit           1
 Momenta zeroed out, time           159199.80
- acceleration/energy drift too large   4.21734669113214     
-   21.4233553225708       split increased to            2  itime      796791 
+ acceleration/energy drift too large   4.27097253103382     
+   11.6876324056609       split increased to            2  itime      796851 
   itsplit           1
 Momenta zeroed out, time           159399.80
- acceleration/energy drift too large   3.06545360297372     
-   10.9784440776099       split increased to            2  itime      797266 
+ acceleration/energy drift too large   6.27899280044599     
+   56.1022023327461       split increased to            2  itime      797213 
   itsplit           1
- acceleration/energy drift too large   3.30932834523480     
-   13.5537009211232       split increased to            2  itime      797805 
+ acceleration/energy drift too large   1.73600477670574     
+   12.6288943657277       split increased to            4  itime      797213 
   itsplit           1
-Momenta zeroed out, time           159599.80
-Momenta zeroed out, time           159799.80
- acceleration/energy drift too large   4.88362611770033     
-   13.0914066041951       split increased to            2  itime      799042 
+ acceleration/energy drift too large   4.31888569405601     
+   35.1772175746752       split increased to            2  itime      797437 
+  itsplit           1
+ acceleration/energy drift too large   5.64591634787720     
+   34.9647501818004       split increased to            2  itime      797532 
   itsplit           1
- acceleration/energy drift too large   5.63884632188450     
-   15.6160337884056       split increased to            2  itime      799684 
+ acceleration/energy drift too large   3.74830775083842     
+   13.5524548707038       split increased to            2  itime      797907 
   itsplit           1
- acceleration/energy drift too large   6.37177252464893     
-   48.4597093318055       split increased to            2  itime      799694 
+Momenta zeroed out, time           159599.80
+ acceleration/energy drift too large   3.63478380307034     
+   14.8841548374253       split increased to            2  itime      798952 
   itsplit           1
- acceleration/energy drift too large   2.82297013334802     
-   10.6836395398889       split increased to            2  itime      799752 
+Momenta zeroed out, time           159799.80
+ acceleration/energy drift too large   4.22593791790594     
+   15.8767500732928       split increased to            2  itime      799569 
   itsplit           1
- acceleration/energy drift too large   12.5972282118094     
-   92.8717577049458       split increased to            2  itime      799805 
+ acceleration/energy drift too large   6.18285534301960     
+   15.8793000149032       split increased to            2  itime      799863 
   itsplit           1
 Velocities reset to random values, time           159999.80
 Momenta zeroed out, time           159999.80
- acceleration/energy drift too large   4.36602709368870     
-   22.9067310713931       split increased to            2  itime      800304 
+ acceleration/energy drift too large   4.71775455049474     
+   19.5074095468666       split increased to            2  itime      800988 
   itsplit           1
 Momenta zeroed out, time           160199.80
- acceleration/energy drift too large   3.58103855817597     
-   18.6486519539802       split increased to            2  itime      801646 
+ acceleration/energy drift too large   10.6156538198342     
+   50.7339592800407       split increased to            2  itime      801121 
+  itsplit           1
+ acceleration/energy drift too large   5.66089733184668     
+   32.2952068577844       split increased to            2  itime      801252 
   itsplit           1
 Momenta zeroed out, time           160399.80
 Momenta zeroed out, time           160599.80
- acceleration/energy drift too large   7.13944470606360     
-   47.6199020704761       split increased to            2  itime      803230 
-  itsplit           1
- acceleration/energy drift too large   5.84653590003103     
-   33.1883834205446       split increased to            2  itime      803357 
+ acceleration/energy drift too large   2.96012298583034     
+   16.4364886273921       split increased to            2  itime      803866 
   itsplit           1
 Momenta zeroed out, time           160799.80
- acceleration/energy drift too large   4.90068833430000     
-   24.7589843690871       split increased to            2  itime      804479 
+ acceleration/energy drift too large   5.16206135641625     
+   23.9914523560448       split increased to            2  itime      804291 
+  itsplit           1
+ acceleration/energy drift too large   4.50735161352919     
+   20.3229187425659       split increased to            2  itime      804478 
+  itsplit           1
+ acceleration/energy drift too large   11.4595991259973     
+   69.6378070130763       split increased to            2  itime      804528 
   itsplit           1
- acceleration/energy drift too large   3.86597889494332     
-   16.5936696290116       split increased to            2  itime      804638 
+ acceleration/energy drift too large   6.22892325713123     
+   12.0051110073631       split increased to            2  itime      804676 
   itsplit           1
 Momenta zeroed out, time           160999.80
+ acceleration/energy drift too large   4.52195343198107     
+   23.2291809205988       split increased to            2  itime      805156 
+  itsplit           1
 Momenta zeroed out, time           161199.80
- acceleration/energy drift too large   5.80176227907421     
-   18.2412033246356       split increased to            2  itime      806452 
+ acceleration/energy drift too large   5.27189292504923     
+   16.5186980838801       split increased to            2  itime      806154 
+  itsplit           1
+ acceleration/energy drift too large   5.83206480731131     
+   14.9450517167715       split increased to            2  itime      806226 
   itsplit           1
- acceleration/energy drift too large   10.9134470987209     
-   43.7914819818994       split increased to            2  itime      806716 
+ acceleration/energy drift too large   5.63490364247075     
+   15.3083355734305       split increased to            2  itime      806464 
   itsplit           1
- acceleration/energy drift too large   5.90973168343113     
-   37.7638319993723       split increased to            4  itime      806716 
+ acceleration/energy drift too large   3.32055858455693     
+   19.9684495061644       split increased to            2  itime      806854 
   itsplit           1
 Momenta zeroed out, time           161399.80
+ acceleration/energy drift too large   5.52590322915816     
+   17.5565628781237       split increased to            2  itime      807557 
+  itsplit           1
+ acceleration/energy drift too large   6.53828771692825     
+   28.7083716801240       split increased to            2  itime      807718 
+  itsplit           1
+ acceleration/energy drift too large   4.93493302551084     
+   17.1283124310871       split increased to            2  itime      807967 
+  itsplit           1
 Momenta zeroed out, time           161599.80
- acceleration/energy drift too large   4.26741975686017     
-   11.7474034704046       split increased to            2  itime      808925 
+ acceleration/energy drift too large   5.96737855920206     
+   24.8697905351168       split increased to            2  itime      808264 
   itsplit           1
 Momenta zeroed out, time           161799.80
-Velocities reset to random values, time           161999.80
-Momenta zeroed out, time           161999.80
-Momenta zeroed out, time           162199.80
- acceleration/energy drift too large   8.69163144142088     
-   16.3566559283029       split increased to            2  itime      811359 
+ acceleration/energy drift too large   4.98694767205874     
+   12.8395775308915       split increased to            2  itime      809297 
   itsplit           1
- acceleration/energy drift too large   3.05805899797392     
-   16.4498394283115       split increased to            2  itime      811364 
+ acceleration/energy drift too large   5.56324764443825     
+   21.0549807296066       split increased to            2  itime      809619 
   itsplit           1
- acceleration/energy drift too large   5.79667502928141     
-   11.1020458522787       split increased to            2  itime      811391 
+ acceleration/energy drift too large   3.48171200157738     
+   16.5081191081208       split increased to            2  itime      809620 
   itsplit           1
- acceleration/energy drift too large   2.28881669974264     
-   12.3350074115742       split increased to            2  itime      811417 
+ acceleration/energy drift too large   3.62679015251489     
+   12.7848060094094       split increased to            2  itime      809983 
   itsplit           1
- acceleration/energy drift too large   4.40032833111232     
-   13.4404521146859       split increased to            2  itime      811699 
+Velocities reset to random values, time           161999.80
+Momenta zeroed out, time           161999.80
+Momenta zeroed out, time           162199.80
+ acceleration/energy drift too large   7.38417208629302     
+   25.0209048304246       split increased to            2  itime      811201 
   itsplit           1
 Momenta zeroed out, time           162399.80
-Momenta zeroed out, time           162599.80
- acceleration/energy drift too large   6.03138483833976     
-   26.6576065299998       split increased to            2  itime      813137 
+ acceleration/energy drift too large   8.87461549370728     
+   35.3840890104276       split increased to            2  itime      812038 
   itsplit           1
- acceleration/energy drift too large   3.35698468264273     
-   23.8666619583941       split increased to            2  itime      813898 
+ acceleration/energy drift too large   4.34925694554111     
+   12.2865687938253       split increased to            2  itime      812563 
   itsplit           1
+Momenta zeroed out, time           162599.80
 Momenta zeroed out, time           162799.80
+ acceleration/energy drift too large   6.39754980199957     
+   15.4632371845712       split increased to            2  itime      814312 
+  itsplit           1
 Momenta zeroed out, time           162999.80
-Momenta zeroed out, time           163199.80
- acceleration/energy drift too large   4.77049708638694     
-   14.6016709513665       split increased to            2  itime      816478 
+ acceleration/energy drift too large   7.48493482571405     
+   21.3417382160384       split increased to            2  itime      815083 
   itsplit           1
- acceleration/energy drift too large   6.13643212123819     
-   12.1220062655547       split increased to            2  itime      816956 
+ acceleration/energy drift too large   8.25687492908450     
+   29.3547931940612       split increased to            2  itime      815086 
   itsplit           1
-Momenta zeroed out, time           163399.80
- acceleration/energy drift too large   6.41006652168087     
-   15.8417831245804       split increased to            2  itime      817333 
+ acceleration/energy drift too large   9.85673700910837     
+   46.2397065166588       split increased to            2  itime      815928 
   itsplit           1
- acceleration/energy drift too large   4.59055835545994     
-   10.6157408522781       split increased to            2  itime      817334 
+Momenta zeroed out, time           163199.80
+ acceleration/energy drift too large   5.92877970173983     
+   13.3014700654797       split increased to            2  itime      816476 
   itsplit           1
- acceleration/energy drift too large   8.55706751354228     
-   32.1850049704928       split increased to            2  itime      817363 
+Momenta zeroed out, time           163399.80
+ acceleration/energy drift too large   2.79197539158891     
+   10.5048566900223       split increased to            2  itime      817277 
   itsplit           1
- acceleration/energy drift too large   2.57844531723282     
-   10.8020025096712       split increased to            2  itime      817383 
+ acceleration/energy drift too large   5.25497177947831     
+   10.9729217002660       split increased to            2  itime      817943 
   itsplit           1
 Momenta zeroed out, time           163599.80
 Momenta zeroed out, time           163799.80
- acceleration/energy drift too large   4.45100527585296     
-   22.3333316496019       split increased to            2  itime      819412 
+ acceleration/energy drift too large   3.63727797019509     
+   10.5979056642070       split increased to            2  itime      819226 
+  itsplit           1
+ acceleration/energy drift too large   5.56456800126605     
+   25.4432305909282       split increased to            2  itime      819858 
+  itsplit           1
+ acceleration/energy drift too large   4.08659584297085     
+   14.6172570165885       split increased to            2  itime      819862 
+  itsplit           1
+ acceleration/energy drift too large   4.95369974678146     
+   28.8860835582624       split increased to            2  itime      819993 
   itsplit           1
 Velocities reset to random values, time           163999.80
 Momenta zeroed out, time           163999.80
- acceleration/energy drift too large   5.48874966915937     
-   19.2202815068940       split increased to            2  itime      820797 
-  itsplit           1
- acceleration/energy drift too large   2.63712737463635     
-   16.7516839208331       split increased to            2  itime      820912 
+ acceleration/energy drift too large   2.72867170163836     
+   19.5593710808686       split increased to            2  itime      820500 
   itsplit           1
 Momenta zeroed out, time           164199.80
- acceleration/energy drift too large   5.74585540370090     
-   14.7778177327626       split increased to            2  itime      821550 
+ acceleration/energy drift too large   4.51032483434318     
+   11.6700979551673       split increased to            2  itime      821241 
   itsplit           1
- acceleration/energy drift too large   4.83685549653385     
-   27.2783860618880       split increased to            2  itime      821656 
+ acceleration/energy drift too large   7.44406583450293     
+   16.9390817253057       split increased to            2  itime      821561 
   itsplit           1
 Momenta zeroed out, time           164399.80
- acceleration/energy drift too large   2.69041868045084     
-   13.3101799095828       split increased to            2  itime      822369 
-  itsplit           1
- acceleration/energy drift too large   3.05181418080408     
-   18.6374287183830       split increased to            2  itime      822475 
+ acceleration/energy drift too large   4.93150519585754     
+   12.2804074266059       split increased to            2  itime      822776 
   itsplit           1
 Momenta zeroed out, time           164599.80
+ acceleration/energy drift too large   7.45777613258647     
+   22.6512394186233       split increased to            2  itime      823764 
+  itsplit           1
 Momenta zeroed out, time           164799.80
- acceleration/energy drift too large   3.64603005653337     
-   13.8040273941354       split increased to            2  itime      824533 
+ acceleration/energy drift too large   8.50528857036414     
+   33.2096041993443       split increased to            2  itime      824871 
   itsplit           1
 Momenta zeroed out, time           164999.80
- acceleration/energy drift too large   5.14945364236780     
-   14.5429805985503       split increased to            2  itime      825838 
+ acceleration/energy drift too large   4.46036758275941     
+   22.1108086434696       split increased to            2  itime      825139 
   itsplit           1
- acceleration/energy drift too large   7.92031530895492     
-   30.6810088914786       split increased to            2  itime      825874 
+ acceleration/energy drift too large   4.62559302073004     
+   17.3351514637619       split increased to            2  itime      825142 
   itsplit           1
-Momenta zeroed out, time           165199.80
- acceleration/energy drift too large   4.91532349604881     
-   15.0824737935525       split increased to            2  itime      826168 
-  itsplit           1
-Momenta zeroed out, time           165399.80
- acceleration/energy drift too large   5.63821047530682     
-   15.9025063314642       split increased to            2  itime      827485 
-  itsplit           1
- acceleration/energy drift too large   7.62968407346118     
-   26.0744838663662       split increased to            2  itime      827514 
+ acceleration/energy drift too large   3.38344044145757     
+   14.0536249341936       split increased to            2  itime      825488 
   itsplit           1
-Momenta zeroed out, time           165599.80
- acceleration/energy drift too large   11.9606360341520     
-   73.5294299215945       split increased to            2  itime      828082 
+Momenta zeroed out, time           165199.80
+ acceleration/energy drift too large   2.72449621131759     
+   18.8614217535786       split increased to            2  itime      826117 
   itsplit           1
- acceleration/energy drift too large   2.57947552450327     
-   12.4613149826990       split increased to            4  itime      828082 
+ acceleration/energy drift too large   6.92272902517750     
+   31.5908630449474       split increased to            2  itime      826725 
   itsplit           1
- acceleration/energy drift too large   4.44258061438521     
-   12.9673865953118       split increased to            2  itime      828683 
+ acceleration/energy drift too large   7.42886984320329     
+   16.0324461576647       split increased to            2  itime      826922 
   itsplit           1
- acceleration/energy drift too large   6.20038198546261     
-   16.3424214073938       split increased to            2  itime      828957 
+Momenta zeroed out, time           165399.80
+ acceleration/energy drift too large   6.54948308193317     
+   13.4709388885112       split increased to            2  itime      827937 
   itsplit           1
+Momenta zeroed out, time           165599.80
 Momenta zeroed out, time           165799.80
- acceleration/energy drift too large   2.25325732585658     
-   13.0933487096541       split increased to            2  itime      829006 
-  itsplit           1
- acceleration/energy drift too large   4.79979035841911     
-   15.2950317522528       split increased to            2  itime      829125 
-  itsplit           1
- acceleration/energy drift too large   4.44710710415820     
-   21.4274767326616       split increased to            2  itime      829626 
-  itsplit           1
- acceleration/energy drift too large   11.8819996014845     
-   47.5252373395501       split increased to            2  itime      829657 
+ acceleration/energy drift too large   5.11093720051727     
+   12.5778599502065       split increased to            2  itime      829483 
   itsplit           1
 Velocities reset to random values, time           165999.80
 Momenta zeroed out, time           165999.80
- acceleration/energy drift too large   4.99504648293624     
-   19.1449523457195       split increased to            2  itime      830857 
+ acceleration/energy drift too large   18.2413751064581     
+   141.543682530614       split increased to            2  itime      830020 
+  itsplit           1
+ acceleration/energy drift too large   4.16843080794707     
+   26.7839141524659       split increased to            4  itime      830020 
   itsplit           1
- acceleration/energy drift too large   5.55698269829184     
-   22.5972741741651       split increased to            2  itime      830985 
+ acceleration/energy drift too large   3.09804156800109     
+   10.8876233911508       split increased to            2  itime      830369 
   itsplit           1
 Momenta zeroed out, time           166199.80
- acceleration/energy drift too large   5.46170237723415     
-   20.3275923156927       split increased to            2  itime      831319 
+ acceleration/energy drift too large   5.81632216928130     
+   15.5321987367347       split increased to            2  itime      831414 
   itsplit           1
- acceleration/energy drift too large   2.28265167245901     
-   11.6495157586503       split increased to            2  itime      831741 
+ acceleration/energy drift too large   6.78893630223498     
+   43.1317549267327       split increased to            2  itime      831566 
   itsplit           1
 Momenta zeroed out, time           166399.80
- acceleration/energy drift too large   4.90267453797792     
-   11.2833257008086       split increased to            2  itime      832482 
+ acceleration/energy drift too large   8.18144584658691     
+   31.7684698155418       split increased to            2  itime      832999 
   itsplit           1
 Momenta zeroed out, time           166599.80
- acceleration/energy drift too large   3.21779866282904     
-   27.6263894493054       split increased to            2  itime      833427 
+ acceleration/energy drift too large   4.67441857516059     
+   22.5063035529308       split increased to            2  itime      833726 
   itsplit           1
 Momenta zeroed out, time           166799.80
- acceleration/energy drift too large   3.09435890994634     
-   11.6927567915786       split increased to            2  itime      834408 
+ acceleration/energy drift too large   6.40875508290214     
+   23.7681040654192       split increased to            2  itime      834154 
   itsplit           1
 Momenta zeroed out, time           166999.80
- acceleration/energy drift too large   10.5695347429318     
-   45.9331265808140       split increased to            2  itime      835153 
+ acceleration/energy drift too large   2.92890637657636     
+   13.3332520631093       split increased to            2  itime      835024 
+  itsplit           1
+ acceleration/energy drift too large   4.47990860876834     
+   11.1082137826800       split increased to            2  itime      835441 
   itsplit           1
 Momenta zeroed out, time           167199.80
 Momenta zeroed out, time           167399.80
+ acceleration/energy drift too large   6.06316895603555     
+   13.7154948830406       split increased to            2  itime      837197 
+  itsplit           1
+ acceleration/energy drift too large   5.53887858504173     
+   38.4901476652207       split increased to            2  itime      837304 
+  itsplit           1
+ acceleration/energy drift too large   1.14841893847967     
+   12.6052905680613       split increased to            2  itime      837305 
+  itsplit           1
+ acceleration/energy drift too large   2.44978534363173     
+   19.3307621427248       split increased to            2  itime      837900 
+  itsplit           1
 Momenta zeroed out, time           167599.80
+ acceleration/energy drift too large   10.8420769558864     
+   51.4170024293877       split increased to            2  itime      838778 
+  itsplit           1
+ acceleration/energy drift too large   2.62233037324919     
+   12.6428270262038       split increased to            4  itime      838778 
+  itsplit           2
 Momenta zeroed out, time           167799.80
+ acceleration/energy drift too large   2.48441307681016     
+   14.5793156357090       split increased to            2  itime      839050 
+  itsplit           1
+ acceleration/energy drift too large   5.71538695754669     
+   31.3251394309829       split increased to            2  itime      839096 
+  itsplit           1
+ acceleration/energy drift too large   5.19933003585489     
+   39.8139900423573       split increased to            2  itime      839099 
+  itsplit           1
+ acceleration/energy drift too large   4.72051235839638     
+   10.2359242235243       split increased to            2  itime      839186 
+  itsplit           1
+ acceleration/energy drift too large   2.39866024366656     
+   15.9231302375516       split increased to            2  itime      839573 
+  itsplit           1
+ acceleration/energy drift too large   4.76231044730511     
+   11.3321795427173       split increased to            2  itime      839719 
+  itsplit           1
 Velocities reset to random values, time           167999.80
 Momenta zeroed out, time           167999.80
+ acceleration/energy drift too large   3.79350199955811     
+   10.5001940524890       split increased to            2  itime      840743 
+  itsplit           1
 Momenta zeroed out, time           168199.80
+ acceleration/energy drift too large   6.61656268458034     
+   17.7950150352758       split increased to            2  itime      841958 
+  itsplit           1
 Momenta zeroed out, time           168399.80
- acceleration/energy drift too large   5.24461378702130     
-   12.1312469903311       split increased to            2  itime      842519 
+ acceleration/energy drift too large   4.45830353418683     
+   10.2704113241334       split increased to            2  itime      842136 
+  itsplit           1
+ acceleration/energy drift too large   2.78113941567953     
+   16.1368071019432       split increased to            2  itime      842168 
+  itsplit           1
+ acceleration/energy drift too large   3.03710675547923     
+   14.3920746152679       split increased to            2  itime      842212 
+  itsplit           1
+ acceleration/energy drift too large   5.34404796976757     
+   14.6184109894897       split increased to            2  itime      842286 
+  itsplit           1
+ acceleration/energy drift too large   6.23173325286955     
+   17.6149781736096       split increased to            2  itime      842552 
   itsplit           1
 Momenta zeroed out, time           168599.80
- acceleration/energy drift too large   3.65166321510325     
-   12.5981296636631       split increased to            2  itime      843238 
+ acceleration/energy drift too large   5.94537698564572     
+   24.6323977561414       split increased to            2  itime      843048 
   itsplit           1
-Momenta zeroed out, time           168799.80
- acceleration/energy drift too large   7.27581434390655     
-   18.1805807942659       split increased to            2  itime      844084 
+ acceleration/energy drift too large   11.0796251994786     
+   61.1559396749390       split increased to            2  itime      843648 
   itsplit           1
- acceleration/energy drift too large   7.47074287523125     
-   31.0014932835977       split increased to            2  itime      844245 
+ acceleration/energy drift too large   3.69849388252310     
+   10.8102112288560       split increased to            2  itime      843669 
   itsplit           1
- acceleration/energy drift too large   3.92865974208160     
-   11.4392039782843       split increased to            2  itime      844421 
+Momenta zeroed out, time           168799.80
+ acceleration/energy drift too large   7.68812706148084     
+   32.1195302531418       split increased to            2  itime      844679 
   itsplit           1
- acceleration/energy drift too large   3.34519648785447     
-   11.9002464286535       split increased to            2  itime      844590 
+ acceleration/energy drift too large   4.43866307095757     
+   16.4179838936474       split increased to            2  itime      844748 
   itsplit           1
 Momenta zeroed out, time           168999.80
- acceleration/energy drift too large   2.95136675290030     
-   22.9063290282581       split increased to            2  itime      845435 
-  itsplit           1
 Momenta zeroed out, time           169199.80
 Momenta zeroed out, time           169399.80
+ acceleration/energy drift too large   2.86204171095836     
+   12.4515048886245       split increased to            2  itime      847293 
+  itsplit           1
 Momenta zeroed out, time           169599.80
- acceleration/energy drift too large   5.31281770834838     
-   21.9590744365912       split increased to            2  itime      848476 
+ acceleration/energy drift too large   6.86288316992849     
+   33.5876519925142       split increased to            2  itime      848564 
+  itsplit           1
+ acceleration/energy drift too large   4.84307577757960     
+   28.1025834960230       split increased to            2  itime      848693 
   itsplit           1
- acceleration/energy drift too large   3.89796980383701     
-   11.2731089014032       split increased to            2  itime      848854 
+ acceleration/energy drift too large   4.26403124915238     
+   19.0221931502649       split increased to            2  itime      848696 
   itsplit           1
 Momenta zeroed out, time           169799.80
- acceleration/energy drift too large   2.80136223962172     
-   14.2343701749218       split increased to            2  itime      849290 
+ acceleration/energy drift too large   4.80387072522554     
+   22.2621227339740       split increased to            2  itime      849221 
+  itsplit           1
+ acceleration/energy drift too large   4.51615868846850     
+   10.4161914374987       split increased to            2  itime      849904 
   itsplit           1
 Velocities reset to random values, time           169999.80
 Momenta zeroed out, time           169999.80
- acceleration/energy drift too large   2.69615625390431     
-   10.1125701292239       split increased to            2  itime      850350 
-  itsplit           1
- acceleration/energy drift too large   4.24199280454291     
-   22.7687690652454       split increased to            2  itime      850701 
+ acceleration/energy drift too large   9.63534816887219     
+   44.7988529466795       split increased to            2  itime      850990 
   itsplit           1
- acceleration/energy drift too large   6.11070528105320     
-   50.6582877095376       split increased to            2  itime      850923 
+ acceleration/energy drift too large   2.22523393208590     
+   10.2637488131363       split increased to            4  itime      850990 
+  itsplit           2
+Momenta zeroed out, time           170199.80
+ acceleration/energy drift too large   6.96546052639964     
+   31.9614088400548       split increased to            2  itime      851404 
   itsplit           1
- acceleration/energy drift too large   3.32918241371273     
-   10.1640500581581       split increased to            2  itime      850947 
+ acceleration/energy drift too large   4.66283955694745     
+   24.8860277749782       split increased to            2  itime      851701 
   itsplit           1
-Momenta zeroed out, time           170199.80
- acceleration/energy drift too large   9.47460963365463     
-   43.1373430932423       split increased to            2  itime      851212 
+ acceleration/energy drift too large   4.98479149535941     
+   23.0617648361699       split increased to            2  itime      851897 
   itsplit           1
- acceleration/energy drift too large   5.11024078398813     
-   27.1151047184331       split increased to            2  itime      851481 
+ acceleration/energy drift too large   3.00794597525568     
+   12.1672954196424       split increased to            2  itime      851898 
   itsplit           1
 Momenta zeroed out, time           170399.80
- acceleration/energy drift too large   4.32058303728003     
-   11.7397605827731       split increased to            2  itime      852693 
+ acceleration/energy drift too large   3.58012260323918     
+   14.4450255088838       split increased to            2  itime      852440 
   itsplit           1
 Momenta zeroed out, time           170599.80
+ acceleration/energy drift too large   6.21991697041762     
+   42.4463056970164       split increased to            2  itime      853352 
+  itsplit           1
 Momenta zeroed out, time           170799.80
- acceleration/energy drift too large   5.24638470362268     
-   12.0262227144913       split increased to            2  itime      854186 
+ acceleration/energy drift too large   2.58489288213179     
+   13.0927170747239       split increased to            2  itime      854377 
   itsplit           1
- acceleration/energy drift too large   4.40074691720220     
-   16.8541373064083       split increased to            2  itime      854640 
+ acceleration/energy drift too large   5.35148693480653     
+   12.7228898550182       split increased to            2  itime      854425 
+  itsplit           1
+ acceleration/energy drift too large   5.84063761156367     
+   11.1826054705122       split increased to            2  itime      854840 
   itsplit           1
 Momenta zeroed out, time           170999.80
- acceleration/energy drift too large   6.50546504510497     
-   22.0481027597114       split increased to            2  itime      855726 
+Momenta zeroed out, time           171199.80
+ acceleration/energy drift too large   6.24983481895774     
+   23.1036693384368       split increased to            2  itime      856016 
   itsplit           1
- acceleration/energy drift too large   3.93973988775279     
-   13.9939249676078       split increased to            2  itime      855796 
+ acceleration/energy drift too large   5.36266942342090     
+   13.5381106466956       split increased to            2  itime      856101 
   itsplit           1
- acceleration/energy drift too large   4.95771683261940     
-   13.1105341321001       split increased to            2  itime      855999 
+ acceleration/energy drift too large   5.57347626498543     
+   15.1582945005486       split increased to            2  itime      856171 
   itsplit           1
-Momenta zeroed out, time           171199.80
- acceleration/energy drift too large   4.99486384571729     
-   16.4685264733942       split increased to            2  itime      856525 
+ acceleration/energy drift too large   5.65676820592788     
+   18.6312757876488       split increased to            2  itime      856427 
   itsplit           1
 Momenta zeroed out, time           171399.80
-Momenta zeroed out, time           171599.80
- acceleration/energy drift too large   5.62073583955907     
-   13.3046547511601       split increased to            2  itime      858645 
-  itsplit           1
-Momenta zeroed out, time           171799.80
- acceleration/energy drift too large   4.06813971844053     
-   15.7543989297271       split increased to            2  itime      859024 
+ acceleration/energy drift too large   4.83501427315133     
+   10.7051855998785       split increased to            2  itime      857842 
   itsplit           1
- acceleration/energy drift too large   4.64247383080599     
-   21.8069443967997       split increased to            2  itime      859431 
+Momenta zeroed out, time           171599.80
+ acceleration/energy drift too large   13.2489650284563     
+   78.1206710367846       split increased to            2  itime      858021 
   itsplit           1
- acceleration/energy drift too large   5.22266132151951     
-   16.7444215465112       split increased to            2  itime      859659 
+ acceleration/energy drift too large   9.05100487808410     
+   52.9801546053309       split increased to            2  itime      858156 
   itsplit           1
- acceleration/energy drift too large   3.29302728723747     
-   12.1691865385712       split increased to            2  itime      859709 
+ acceleration/energy drift too large   5.35417793615499     
+   33.0083559926598       split increased to            2  itime      858569 
   itsplit           1
- acceleration/energy drift too large   6.75646294882285     
-   27.6905724131603       split increased to            2  itime      859955 
+ acceleration/energy drift too large   3.18642383516503     
+   11.5117395898710       split increased to            2  itime      858584 
   itsplit           1
+Momenta zeroed out, time           171799.80
 Velocities reset to random values, time           171999.80
 Momenta zeroed out, time           171999.80
- acceleration/energy drift too large   3.08052249308970     
-   10.3757074784641       split increased to            2  itime      860303 
+ acceleration/energy drift too large   4.83051900066606     
+   12.7115562457088       split increased to            2  itime      860566 
   itsplit           1
- acceleration/energy drift too large   2.49574029416966     
-   10.9109381504715       split increased to            2  itime      860338 
+ acceleration/energy drift too large   4.04583404607154     
+   11.1441966228135       split increased to            2  itime      860959 
   itsplit           1
- acceleration/energy drift too large   5.33005310683844     
-   13.7912886112117       split increased to            2  itime      860572 
+Momenta zeroed out, time           172199.80
+ acceleration/energy drift too large   6.08369554416079     
+   14.6255441091520       split increased to            2  itime      861046 
   itsplit           1
- acceleration/energy drift too large   4.76570088272069     
-   14.5355496103285       split increased to            2  itime      860638 
+ acceleration/energy drift too large   9.83822348277458     
+   41.2937116147661       split increased to            2  itime      861047 
   itsplit           1
- acceleration/energy drift too large   3.99153094961943     
-   11.3826814493714       split increased to            2  itime      860993 
+ acceleration/energy drift too large   3.56944426305578     
+   15.2176624246290       split increased to            2  itime      861107 
   itsplit           1
-Momenta zeroed out, time           172199.80
- acceleration/energy drift too large   5.22722402149227     
-   26.0855840479666       split increased to            2  itime      861009 
+ acceleration/energy drift too large   3.67449261754272     
+   25.9436957086026       split increased to            2  itime      861216 
   itsplit           1
- acceleration/energy drift too large   2.89157130477572     
-   12.5897825855368       split increased to            2  itime      861214 
+ acceleration/energy drift too large   2.51773042567844     
+   14.6919313639661       split increased to            2  itime      861355 
   itsplit           1
- acceleration/energy drift too large   4.27082956443225     
-   10.0647512532955       split increased to            2  itime      861970 
+ acceleration/energy drift too large   8.78972946827760     
+   21.8475271863973       split increased to            2  itime      861540 
+  itsplit           1
+ acceleration/energy drift too large   4.71489544231355     
+   23.1371844420700       split increased to            2  itime      861672 
   itsplit           1
 Momenta zeroed out, time           172399.80
- acceleration/energy drift too large   7.84788747211261     
-   36.6612839481599       split increased to            2  itime      862284 
+ acceleration/energy drift too large   4.65001620208055     
+   12.5263650209271       split increased to            2  itime      862791 
   itsplit           1
 Momenta zeroed out, time           172599.80
- acceleration/energy drift too large   6.25947067810570     
-   35.8290071134023       split increased to            2  itime      863782 
+ acceleration/energy drift too large   2.30011268850579     
+   13.0168350031242       split increased to            2  itime      863298 
+  itsplit           1
+ acceleration/energy drift too large   5.56983502876893     
+   17.4927843371011       split increased to            2  itime      863654 
   itsplit           1
- acceleration/energy drift too large   2.83289974832643     
-   15.6417081433196       split increased to            2  itime      863998 
+ acceleration/energy drift too large   2.77434485610359     
+   10.0897258712549       split increased to            2  itime      863676 
   itsplit           1
 Momenta zeroed out, time           172799.80
- acceleration/energy drift too large   3.42881466040155     
-   10.7478140437352       split increased to            2  itime      864288 
+ acceleration/energy drift too large   4.75453100641751     
+   28.0695741559721       split increased to            2  itime      864751 
   itsplit           1
- acceleration/energy drift too large   4.52511582080238     
-   15.2336805235860       split increased to            2  itime      864685 
+ acceleration/energy drift too large   10.0540430429866     
+   41.8507058467516       split increased to            2  itime      864869 
   itsplit           1
 Momenta zeroed out, time           172999.80
- acceleration/energy drift too large   14.9424194858395     
-   82.9591480588577       split increased to            2  itime      865576 
-  itsplit           1
- acceleration/energy drift too large   4.44051565551575     
-   21.8396414508676       split increased to            2  itime      865591 
-  itsplit           1
- acceleration/energy drift too large   6.02405678194906     
-   22.1286865973188       split increased to            2  itime      865966 
-  itsplit           1
 Momenta zeroed out, time           173199.80
- acceleration/energy drift too large   6.42394805816498     
-   24.1083563620410       split increased to            2  itime      866055 
-  itsplit           1
 Momenta zeroed out, time           173399.80
- acceleration/energy drift too large   3.65147210808524     
-   11.3605781028938       split increased to            2  itime      867468 
-  itsplit           1
- acceleration/energy drift too large   4.90359513669297     
-   21.9857691042873       split increased to            2  itime      867648 
-  itsplit           1
- acceleration/energy drift too large   2.38191035445549     
-   10.1895712618514       split increased to            2  itime      867649 
+ acceleration/energy drift too large   3.75755635144372     
+   11.2708366345848       split increased to            2  itime      867168 
   itsplit           1
- acceleration/energy drift too large   3.86697208178993     
-   22.0229304525526       split increased to            2  itime      867849 
+ acceleration/energy drift too large   3.33038855505244     
+   25.8389270973682       split increased to            2  itime      867440 
   itsplit           1
 Momenta zeroed out, time           173599.80
- acceleration/energy drift too large   3.83710082687607     
-   29.1326316558800       split increased to            2  itime      868062 
-  itsplit           1
- acceleration/energy drift too large   5.62404737136029     
-   17.2464528350784       split increased to            2  itime      868208 
+Momenta zeroed out, time           173799.80
+ acceleration/energy drift too large   7.44294785268643     
+   17.0164993359433       split increased to            2  itime      869240 
   itsplit           1
- acceleration/energy drift too large   4.28701638718364     
-   16.9653487376886       split increased to            2  itime      868835 
+ acceleration/energy drift too large   2.19163781974694     
+   11.1115085986817       split increased to            2  itime      869241 
   itsplit           1
- acceleration/energy drift too large   4.69660099333980     
-   10.6050832451481       split increased to            2  itime      868926 
+ acceleration/energy drift too large   6.72354664222478     
+   21.1534409792506       split increased to            2  itime      869594 
   itsplit           1
-Momenta zeroed out, time           173799.80
 Velocities reset to random values, time           173999.80
 Momenta zeroed out, time           173999.80
- acceleration/energy drift too large   5.68915600396412     
-   14.1094042338378       split increased to            2  itime      870728 
-  itsplit           1
- acceleration/energy drift too large   7.59784662535887     
-   52.8322986883445       split increased to            2  itime      870738 
-  itsplit           1
- acceleration/energy drift too large   5.26915791229587     
-   15.3930858007312       split increased to            2  itime      870942 
-  itsplit           1
 Momenta zeroed out, time           174199.80
- acceleration/energy drift too large   4.67280154762567     
-   22.8630958568280       split increased to            2  itime      871437 
-  itsplit           1
- acceleration/energy drift too large   6.58153416743382     
-   27.6896454627326       split increased to            2  itime      871894 
-  itsplit           1
 Momenta zeroed out, time           174399.80
- acceleration/energy drift too large   4.55652242384623     
-   14.3258805279831       split increased to            2  itime      872367 
+ acceleration/energy drift too large   6.73242284902425     
+   15.5434393948901       split increased to            2  itime      872275 
   itsplit           1
- acceleration/energy drift too large   4.40241682915109     
-   13.5847308869893       split increased to            2  itime      872705 
+ acceleration/energy drift too large   5.39455279095938     
+   11.6455544063819       split increased to            2  itime      872912 
   itsplit           1
 Momenta zeroed out, time           174599.80
- acceleration/energy drift too large   19.8608392387952     
-   107.511628453207       split increased to            2  itime      873224 
-  itsplit           1
- acceleration/energy drift too large   4.21893536927247     
-   21.6465042774749       split increased to            4  itime      873224 
-  itsplit           2
- acceleration/energy drift too large   5.81548188072027     
-   12.2733010648231       split increased to            2  itime      873721 
-  itsplit           1
- acceleration/energy drift too large   2.11009098244413     
-   11.7668642321384       split increased to            4  itime      873721 
-  itsplit           1
- acceleration/energy drift too large   5.48869932908236     
-   23.1402447058808       split increased to            2  itime      873754 
+ acceleration/energy drift too large   5.06997451335019     
+   12.4770676005797       split increased to            2  itime      873060 
   itsplit           1
 Momenta zeroed out, time           174799.80
- acceleration/energy drift too large   5.24061997989752     
-   10.9457983652175       split increased to            2  itime      874184 
-  itsplit           1
- acceleration/energy drift too large   25.0384935763714     
-   182.143709485208       split increased to            2  itime      874912 
+Momenta zeroed out, time           174999.80
+ acceleration/energy drift too large   4.69437829207566     
+   27.2563793703872       split increased to            2  itime      875414 
   itsplit           1
- acceleration/energy drift too large   3.95900705882474     
-   18.3608342534257       split increased to            4  itime      874912 
+ acceleration/energy drift too large   2.11955822831802     
+   10.0515729348498       split increased to            2  itime      875753 
   itsplit           1
-Momenta zeroed out, time           174999.80
 Momenta zeroed out, time           175199.80
- acceleration/energy drift too large   4.02490511782122     
-   14.8305868982661       split increased to            2  itime      876216 
+ acceleration/energy drift too large   8.20357150425446     
+   25.5656505975382       split increased to            2  itime      876315 
+  itsplit           1
+ acceleration/energy drift too large   3.13970640865758     
+   10.7054322987741       split increased to            2  itime      876750 
+  itsplit           1
+ acceleration/energy drift too large   8.12869834900241     
+   29.8429751322213       split increased to            2  itime      876829 
   itsplit           1
 Momenta zeroed out, time           175399.80
- acceleration/energy drift too large   22.9642674151110     
-   158.712495520882       split increased to            2  itime      877136 
+ acceleration/energy drift too large   4.36492682729096     
+   12.9479839519748       split increased to            2  itime      877467 
+  itsplit           1
+ acceleration/energy drift too large   4.78527472652971     
+   11.9780228186256       split increased to            2  itime      877470 
   itsplit           1
- acceleration/energy drift too large   4.69848526991854     
-   26.2859777617099       split increased to            4  itime      877136 
+ acceleration/energy drift too large   5.17699321846777     
+   25.8093458294555       split increased to            2  itime      877797 
   itsplit           1
 Momenta zeroed out, time           175599.80
 Momenta zeroed out, time           175799.80
- acceleration/energy drift too large   2.45686894204857     
-   10.0336233394208       split increased to            2  itime      879254 
+ acceleration/energy drift too large   6.27999635412418     
+   17.1631044001894       split increased to            2  itime      879277 
   itsplit           1
- acceleration/energy drift too large   4.55409398783970     
-   23.9513472790168       split increased to            2  itime      879268 
+ acceleration/energy drift too large   6.06018487490301     
+   26.7737643740599       split increased to            2  itime      879335 
   itsplit           1
- acceleration/energy drift too large   5.43979224475437     
-   13.4514145506777       split increased to            2  itime      879698 
+ acceleration/energy drift too large   9.47320479814439     
+   45.4838186849286       split increased to            2  itime      879777 
   itsplit           1
 Velocities reset to random values, time           175999.80
 Momenta zeroed out, time           175999.80
-Momenta zeroed out, time           176199.80
- acceleration/energy drift too large   5.90822859501665     
-   36.6565976197000       split increased to            2  itime      881723 
+ acceleration/energy drift too large   3.49932853664423     
+   23.7137070476911       split increased to            2  itime      880375 
   itsplit           1
- acceleration/energy drift too large   6.11775641408227     
-   23.9858224380235       split increased to            2  itime      881727 
+ acceleration/energy drift too large   3.67578409070295     
+   15.8006775547129       split increased to            2  itime      880382 
   itsplit           1
- acceleration/energy drift too large   5.36726837738925     
-   14.6344092542550       split increased to            2  itime      881912 
+ acceleration/energy drift too large   7.38622598114310     
+   28.6830902972676       split increased to            2  itime      880972 
   itsplit           1
+Momenta zeroed out, time           176199.80
 Momenta zeroed out, time           176399.80
- acceleration/energy drift too large   3.07955369090591     
-   10.1854009157840       split increased to            2  itime      882316 
-  itsplit           1
- acceleration/energy drift too large   4.13096223930041     
-   10.7932822706935       split increased to            2  itime      882551 
+Momenta zeroed out, time           176599.80
+ acceleration/energy drift too large   8.66588111564799     
+   20.2540842343845       split increased to            2  itime      883611 
   itsplit           1
- acceleration/energy drift too large   7.45430360192160     
-   17.7566014697294       split increased to            2  itime      882696 
+ acceleration/energy drift too large   4.48436288819296     
+   11.2944416906819       split increased to            2  itime      883657 
   itsplit           1
-Momenta zeroed out, time           176599.80
 Momenta zeroed out, time           176799.80
- acceleration/energy drift too large   2.29749048377930     
-   12.8149277894300       split increased to            2  itime      884131 
+ acceleration/energy drift too large   14.7773185587329     
+   102.923834246963       split increased to            2  itime      884163 
+  itsplit           1
+ acceleration/energy drift too large   6.04892146849442     
+   18.6233662015129       split increased to            2  itime      884412 
+  itsplit           1
+ acceleration/energy drift too large   5.20236785202993     
+   14.7051748371210       split increased to            2  itime      884621 
   itsplit           1
 Momenta zeroed out, time           176999.80
- acceleration/energy drift too large   8.87298941269260     
-   39.9779518222966       split increased to            2  itime      885287 
+ acceleration/energy drift too large   4.20699756749470     
+   10.7869464832356       split increased to            2  itime      885385 
   itsplit           1
- acceleration/energy drift too large   3.24826402033994     
-   21.2105959331480       split increased to            2  itime      885425 
+ acceleration/energy drift too large   3.41859729741352     
+   14.4565716693764       split increased to            2  itime      885605 
   itsplit           1
 Momenta zeroed out, time           177199.80
 Momenta zeroed out, time           177399.80
- acceleration/energy drift too large   3.84063583871255     
-   10.8689743060777       split increased to            2  itime      887079 
-  itsplit           1
 Momenta zeroed out, time           177599.80
- acceleration/energy drift too large   6.55220026799207     
-   15.9609564066991       split increased to            2  itime      888390 
-  itsplit           1
- acceleration/energy drift too large   5.29487770674135     
-   15.1961663095737       split increased to            2  itime      888709 
-  itsplit           1
- acceleration/energy drift too large   3.59896055926900     
-   10.8317166072177       split increased to            2  itime      888848 
-  itsplit           1
 Momenta zeroed out, time           177799.80
- acceleration/energy drift too large   4.65875367939487     
-   22.9360701090921       split increased to            2  itime      889994 
+ acceleration/energy drift too large   6.01176433958270     
+   27.1447149413527       split increased to            2  itime      889009 
+  itsplit           1
+ acceleration/energy drift too large   3.75364887003462     
+   14.8281750649888       split increased to            2  itime      889581 
   itsplit           1
 Velocities reset to random values, time           177999.80
 Momenta zeroed out, time           177999.80
- acceleration/energy drift too large   4.92412373386891     
-   12.9663690276951       split increased to            2  itime      890256 
-  itsplit           1
- acceleration/energy drift too large   6.26090347640695     
-   11.5484143052741       split increased to            2  itime      890299 
-  itsplit           1
- acceleration/energy drift too large   3.26424314699368     
-   10.9976608404880       split increased to            2  itime      890447 
-  itsplit           1
- acceleration/energy drift too large   9.51829520846914     
-   33.5907211727265       split increased to            2  itime      890632 
+ acceleration/energy drift too large   6.48987459218686     
+   16.9428145585884       split increased to            2  itime      890190 
   itsplit           1
 Momenta zeroed out, time           178199.80
- acceleration/energy drift too large   5.84881379482323     
-   11.2947543191525       split increased to            2  itime      891914 
+ acceleration/energy drift too large   3.76944159562156     
+   11.0594608596045       split increased to            2  itime      891230 
+  itsplit           1
+ acceleration/energy drift too large   3.45498260561898     
+   13.0301738723198       split increased to            2  itime      891458 
   itsplit           1
 Momenta zeroed out, time           178399.80
- acceleration/energy drift too large   4.83427668896147     
-   16.4264651297448       split increased to            2  itime      892817 
+ acceleration/energy drift too large   9.50951043688032     
+   41.7590495672279       split increased to            2  itime      892140 
   itsplit           1
 Momenta zeroed out, time           178599.80
- acceleration/energy drift too large   6.78610785247061     
-   13.6901678136060       split increased to            2  itime      893477 
+ acceleration/energy drift too large   6.84902525362797     
+   18.6287268263069       split increased to            2  itime      893346 
   itsplit           1
- acceleration/energy drift too large   10.4829445558674     
-   24.8052916097309       split increased to            2  itime      893657 
+ acceleration/energy drift too large   5.35968554616394     
+   12.8323918915686       split increased to            2  itime      893391 
   itsplit           1
- acceleration/energy drift too large   4.90945429967692     
-   11.8480343138652       split increased to            2  itime      893670 
-  itsplit           1
-Momenta zeroed out, time           178799.80
- acceleration/energy drift too large   5.16086774425734     
-   18.6627275334220       split increased to            2  itime      894549 
+ acceleration/energy drift too large   5.84625415200867     
+   29.7765408589849       split increased to            2  itime      893440 
   itsplit           1
- acceleration/energy drift too large   4.54248856671210     
-   14.8399965797991       split increased to            2  itime      894695 
+ acceleration/energy drift too large   3.65280578888095     
+   19.0682862911153       split increased to            2  itime      893441 
   itsplit           1
+Momenta zeroed out, time           178799.80
 Momenta zeroed out, time           178999.80
+ acceleration/energy drift too large   5.83863477986915     
+   15.0616527663710       split increased to            2  itime      895174 
+  itsplit           1
 Momenta zeroed out, time           179199.80
 Momenta zeroed out, time           179399.80
- acceleration/energy drift too large   10.0519155252147     
-   53.8850862423877       split increased to            2  itime      897512 
+ acceleration/energy drift too large   5.68197528154870     
+   15.8778319634530       split increased to            2  itime      897304 
+  itsplit           1
+ acceleration/energy drift too large   7.60370617539410     
+   47.0100996077568       split increased to            2  itime      897687 
   itsplit           1
 Momenta zeroed out, time           179599.80
- acceleration/energy drift too large   7.84039044923978     
-   32.6435248549068       split increased to            2  itime      898296 
+ acceleration/energy drift too large   5.34874336758885     
+   13.8346786897777       split increased to            2  itime      898487 
   itsplit           1
 Momenta zeroed out, time           179799.80
- acceleration/energy drift too large   6.76823278690753     
-   18.8675473007198       split increased to            2  itime      899543 
+ acceleration/energy drift too large   5.24047779161385     
+   19.8093649601874       split increased to            2  itime      899847 
   itsplit           1
 Velocities reset to random values, time           179999.80
 Momenta zeroed out, time           179999.80
 Momenta zeroed out, time           180199.80
-Momenta zeroed out, time           180399.80
- acceleration/energy drift too large   5.92216236502825     
-   11.2469030121463       split increased to            2  itime      902038 
+ acceleration/energy drift too large   5.62122338679406     
+   18.6657617821302       split increased to            2  itime      901083 
   itsplit           1
-Momenta zeroed out, time           180599.80
- acceleration/energy drift too large   4.91239984552302     
-   24.0248773477327       split increased to            2  itime      903169 
+ acceleration/energy drift too large   2.16949614199354     
+   10.7878946654443       split increased to            2  itime      901084 
+  itsplit           1
+ acceleration/energy drift too large   6.15818241028776     
+   14.6248310143846       split increased to            2  itime      901706 
   itsplit           1
- acceleration/energy drift too large   2.91965057770855     
-   13.5727439638912       split increased to            2  itime      903810 
+Momenta zeroed out, time           180399.80
+ acceleration/energy drift too large   10.2027970037920     
+   42.8003967054867       split increased to            2  itime      902267 
   itsplit           1
- acceleration/energy drift too large   4.67571132892704     
-   11.3065468217582       split increased to            2  itime      903832 
+ acceleration/energy drift too large   3.64948773248115     
+   17.4269324142345       split increased to            2  itime      902788 
   itsplit           1
+Momenta zeroed out, time           180599.80
 Momenta zeroed out, time           180799.80
- acceleration/energy drift too large   6.65103123079378     
-   20.9154154188395       split increased to            2  itime      904261 
+ acceleration/energy drift too large   4.70859152127529     
+   29.3451801734849       split increased to            2  itime      904126 
   itsplit           1
- acceleration/energy drift too large   4.72742886603729     
-   12.8616667234036       split increased to            2  itime      904880 
+ acceleration/energy drift too large   5.58000773491338     
+   15.5990575295250       split increased to            2  itime      904317 
+  itsplit           1
+ acceleration/energy drift too large   9.86814915975152     
+   36.1874800652136       split increased to            2  itime      904506 
   itsplit           1
 Momenta zeroed out, time           180999.80
+ acceleration/energy drift too large   6.56328572138927     
+   31.1629893545920       split increased to            2  itime      905323 
+  itsplit           1
+ acceleration/energy drift too large   3.41462986507291     
+   16.9215579112421       split increased to            2  itime      905324 
+  itsplit           1
+ acceleration/energy drift too large   2.13707583850978     
+   14.0705290705391       split increased to            2  itime      905700 
+  itsplit           1
+ acceleration/energy drift too large   4.04035237217752     
+   10.9624431446359       split increased to            2  itime      905985 
+  itsplit           1
 Momenta zeroed out, time           181199.80
+ acceleration/energy drift too large   3.55191041429711     
+   14.9037164361233       split increased to            2  itime      906264 
+  itsplit           1
+ acceleration/energy drift too large   3.76110310529003     
+   14.6875119070239       split increased to            2  itime      906433 
+  itsplit           1
+ acceleration/energy drift too large   7.24936423712260     
+   74.2022090956457       split increased to            2  itime      906623 
+  itsplit           1
+ acceleration/energy drift too large   1.95060625120199     
+   10.0342275762011       split increased to            2  itime      906674 
+  itsplit           1
+ acceleration/energy drift too large   7.04894518678822     
+   20.8085483551270       split increased to            2  itime      906741 
+  itsplit           1
+ acceleration/energy drift too large   6.79943328045162     
+   43.7725024783908       split increased to            2  itime      906941 
+  itsplit           1
 Momenta zeroed out, time           181399.80
- acceleration/energy drift too large   6.20212575500307     
-   20.2688779773163       split increased to            2  itime      907163 
+ acceleration/energy drift too large   4.61290954419822     
+   22.0898067479258       split increased to            2  itime      907738 
   itsplit           1
 Momenta zeroed out, time           181599.80
- acceleration/energy drift too large   5.84112031159752     
-   11.4919607781956       split increased to            2  itime      908262 
+ acceleration/energy drift too large   5.17224570872952     
+   20.9110259670425       split increased to            2  itime      908112 
   itsplit           1
- acceleration/energy drift too large   5.02710180320817     
-   10.5854037341679       split increased to            2  itime      908263 
+ acceleration/energy drift too large   5.75928457099154     
+   11.0454827557981       split increased to            2  itime      908459 
   itsplit           1
 Momenta zeroed out, time           181799.80
- acceleration/energy drift too large   3.09227378682785     
-   11.7471781771571       split increased to            2  itime      909687 
-  itsplit           1
- acceleration/energy drift too large   8.80835277966848     
-   35.0637693759292       split increased to            2  itime      909823 
-  itsplit           1
 Velocities reset to random values, time           181999.80
 Momenta zeroed out, time           181999.80
- acceleration/energy drift too large   6.57035969375970     
-   10.8637493535471       split increased to            2  itime      910148 
+ acceleration/energy drift too large   3.90554049751766     
+   10.8043811031973       split increased to            2  itime      910182 
   itsplit           1
- acceleration/energy drift too large   7.30237725022257     
-   24.7477517873344       split increased to            2  itime      910267 
+ acceleration/energy drift too large   1.91106273276985     
+   11.0764742045000       split increased to            2  itime      910203 
   itsplit           1
 Momenta zeroed out, time           182199.80
- acceleration/energy drift too large   8.01959574105060     
-   22.2126331603122       split increased to            2  itime      911630 
+ acceleration/energy drift too large   2.65313783521137     
+   10.7120577375792       split increased to            2  itime      911109 
+  itsplit           1
+ acceleration/energy drift too large   4.36312936765351     
+   17.8629089110227       split increased to            2  itime      911160 
+  itsplit           1
+ acceleration/energy drift too large   4.88557175224186     
+   16.3668433246342       split increased to            2  itime      911472 
+  itsplit           1
+ acceleration/energy drift too large   5.26892379036459     
+   35.3807300478357       split increased to            2  itime      911686 
   itsplit           1
 Momenta zeroed out, time           182399.80
- acceleration/energy drift too large   3.91766358859980     
-   18.0381694987733       split increased to            2  itime      912442 
+ acceleration/energy drift too large   3.20961260468547     
+   13.9842770262309       split increased to            2  itime      912092 
   itsplit           1
- acceleration/energy drift too large   5.49666865867495     
-   17.1998934522238       split increased to            2  itime      912472 
+ acceleration/energy drift too large   6.01648426175313     
+   14.1113695426023       split increased to            2  itime      912979 
   itsplit           1
 Momenta zeroed out, time           182599.80
+ acceleration/energy drift too large   8.11952042362087     
+   39.6588343963508       split increased to            2  itime      913769 
+  itsplit           1
+ acceleration/energy drift too large   5.32130764352924     
+   10.5734067645866       split increased to            2  itime      913816 
+  itsplit           1
 Momenta zeroed out, time           182799.80
- acceleration/energy drift too large   4.93592502068115     
-   14.9823840980762       split increased to            2  itime      914367 
+ acceleration/energy drift too large   5.05414223840411     
+   35.4579727415615       split increased to            2  itime      914480 
+  itsplit           1
+ acceleration/energy drift too large   4.67312488199026     
+   18.5949667559432       split increased to            2  itime      914484 
   itsplit           1
 Momenta zeroed out, time           182999.80
- acceleration/energy drift too large   10.2433650876252     
-   51.7619717158021       split increased to            2  itime      915244 
+ acceleration/energy drift too large   7.46682669686951     
+   19.4684706450575       split increased to            2  itime      915765 
   itsplit           1
- acceleration/energy drift too large   2.44396031901992     
-   13.7036209106943       split increased to            4  itime      915244 
-  itsplit           2
-Momenta zeroed out, time           183199.80
- acceleration/energy drift too large   5.72146304874674     
-   15.8779315412800       split increased to            2  itime      916266 
+ acceleration/energy drift too large   3.54100785085578     
+   12.3040022548183       split increased to            2  itime      915868 
+  itsplit           1
+ acceleration/energy drift too large   6.05287108978143     
+   32.8256658744923       split increased to            2  itime      915869 
   itsplit           1
- acceleration/energy drift too large   5.61356514002636     
-   14.7345716629518       split increased to            2  itime      916600 
+ acceleration/energy drift too large   6.01725070451161     
+   20.8572049719960       split increased to            2  itime      915996 
+  itsplit           1
+Momenta zeroed out, time           183199.80
+ acceleration/energy drift too large   3.13321556291689     
+   11.2751744017420       split increased to            2  itime      916252 
   itsplit           1
- acceleration/energy drift too large   2.99876005305138     
-   15.9977711699105       split increased to            2  itime      916765 
+ acceleration/energy drift too large   3.88423040436987     
+   17.6982066567550       split increased to            2  itime      916393 
   itsplit           1
 Momenta zeroed out, time           183399.80
- acceleration/energy drift too large   3.52621332519764     
-   12.3337526261195       split increased to            2  itime      917475 
+ acceleration/energy drift too large   3.57214076344565     
+   10.0475668743890       split increased to            2  itime      917118 
+  itsplit           1
+ acceleration/energy drift too large   10.5605265950588     
+   46.9168260784629       split increased to            2  itime      917973 
   itsplit           1
 Momenta zeroed out, time           183599.80
- acceleration/energy drift too large   3.00403775301220     
-   19.6488469363460       split increased to            2  itime      918455 
+ acceleration/energy drift too large   5.98748533749086     
+   35.1037490529713       split increased to            2  itime      918460 
   itsplit           1
- acceleration/energy drift too large   3.79226837935251     
-   12.4665741562865       split increased to            2  itime      918501 
+ acceleration/energy drift too large   1.35200274666737     
+   11.9289034739862       split increased to            2  itime      918461 
   itsplit           1
-Momenta zeroed out, time           183799.80
- acceleration/energy drift too large   5.40779570752031     
-   13.2322299804332       split increased to            2  itime      919911 
+ acceleration/energy drift too large   4.02546648479091     
+   21.0193128415977       split increased to            2  itime      918678 
   itsplit           1
+Momenta zeroed out, time           183799.80
 Velocities reset to random values, time           183999.80
 Momenta zeroed out, time           183999.80
- acceleration/energy drift too large   4.95534931675423     
-   11.8188026472571       split increased to            2  itime      920471 
-  itsplit           1
- acceleration/energy drift too large   13.4275587810637     
-   76.5486251097009       split increased to            2  itime      920813 
-  itsplit           1
- acceleration/energy drift too large   5.39969893016159     
-   22.8677061557674       split increased to            2  itime      920947 
-  itsplit           1
 Momenta zeroed out, time           184199.80
- acceleration/energy drift too large   2.40315154158982     
-   17.4275876635187       split increased to            2  itime      921212 
-  itsplit           1
 Momenta zeroed out, time           184399.80
- acceleration/energy drift too large   7.15070826868604     
-   20.5303108797242       split increased to            2  itime      922521 
+ acceleration/energy drift too large   7.37087760841683     
+   20.3412541252817       split increased to            2  itime      922635 
   itsplit           1
 Momenta zeroed out, time           184599.80
- acceleration/energy drift too large   2.15382494047086     
-   13.2304151242557       split increased to            2  itime      923239 
+ acceleration/energy drift too large   7.15321851697311     
+   21.5561373306054       split increased to            2  itime      923699 
+  itsplit           1
+ acceleration/energy drift too large   2.96870118583297     
+   22.6185209516745       split increased to            2  itime      923791 
   itsplit           1
- acceleration/energy drift too large   4.23586177930112     
-   13.3953563035919       split increased to            2  itime      923605 
+ acceleration/energy drift too large   6.68502064755374     
+   10.9087772064094       split increased to            2  itime      923868 
   itsplit           1
 Momenta zeroed out, time           184799.80
- acceleration/energy drift too large   4.70471013133936     
-   17.9579078649772       split increased to            2  itime      924041 
+ acceleration/energy drift too large   7.29000062554137     
+   22.8390789941089       split increased to            2  itime      924348 
   itsplit           1
- acceleration/energy drift too large   7.31885220835015     
-   24.6974361588075       split increased to            2  itime      924087 
+ acceleration/energy drift too large   5.27641013930139     
+   18.6897387353657       split increased to            2  itime      924790 
   itsplit           1
- acceleration/energy drift too large   4.03786058625789     
-   10.9253902075777       split increased to            2  itime      924108 
+ acceleration/energy drift too large   6.25693898512847     
+   24.1337684243196       split increased to            2  itime      924814 
   itsplit           1
 Momenta zeroed out, time           184999.80
- acceleration/energy drift too large   4.58646699617004     
-   15.0511283676025       split increased to            2  itime      925294 
+ acceleration/energy drift too large   5.93292344712317     
+   21.9576380685060       split increased to            2  itime      925761 
   itsplit           1
-Momenta zeroed out, time           185199.80
- acceleration/energy drift too large   5.92458451123830     
-   34.5136994260372       split increased to            2  itime      926912 
+ acceleration/energy drift too large   6.72901409287455     
+   48.1688507900020       split increased to            2  itime      925942 
   itsplit           1
+Momenta zeroed out, time           185199.80
 Momenta zeroed out, time           185399.80
- acceleration/energy drift too large   10.7975688915475     
-   52.6319876019728       split increased to            2  itime      927305 
-  itsplit           1
- acceleration/energy drift too large   2.72714842447963     
-   10.0680280864187       split increased to            2  itime      927761 
-  itsplit           1
- acceleration/energy drift too large   2.29789375239646     
-   16.6703653518849       split increased to            2  itime      927877 
+ acceleration/energy drift too large   5.98659640261578     
+   22.1361062718019       split increased to            2  itime      927342 
   itsplit           1
 Momenta zeroed out, time           185599.80
- acceleration/energy drift too large   4.21105945982769     
-   12.7224800089035       split increased to            2  itime      928229 
+ acceleration/energy drift too large   3.34307116669059     
+   11.4339340894708       split increased to            2  itime      928888 
   itsplit           1
- acceleration/energy drift too large   5.23451418875661     
-   19.9743837072107       split increased to            2  itime      928253 
-  itsplit           1
- acceleration/energy drift too large   2.98079158759789     
-   10.1195329878498       split increased to            2  itime      928356 
+ acceleration/energy drift too large   2.99541796644712     
+   10.6288069226380       split increased to            2  itime      928998 
   itsplit           1
 Momenta zeroed out, time           185799.80
- acceleration/energy drift too large   4.57423143274328     
-   15.0226866061415       split increased to            2  itime      929682 
+ acceleration/energy drift too large   5.83586131742554     
+   11.4757160049506       split increased to            2  itime      929369 
+  itsplit           1
+ acceleration/energy drift too large   5.85211448107025     
+   13.8658387354948       split increased to            2  itime      929836 
   itsplit           1
 Velocities reset to random values, time           185999.80
 Momenta zeroed out, time           185999.80
- acceleration/energy drift too large   4.57681081456583     
-   22.1704323669216       split increased to            2  itime      930039 
-  itsplit           1
- acceleration/energy drift too large   3.39904106244432     
-   10.3194511973631       split increased to            2  itime      930214 
-  itsplit           1
- acceleration/energy drift too large   4.39143842856025     
-   17.5998278847344       split increased to            2  itime      930225 
-  itsplit           1
- acceleration/energy drift too large   8.46276574385119     
-   21.5623200884168       split increased to            2  itime      930732 
-  itsplit           1
- acceleration/energy drift too large   14.1146327303328     
-   75.9400929397574       split increased to            2  itime      930855 
+ acceleration/energy drift too large   6.21220189600175     
+   18.8592278335862       split increased to            2  itime      930177 
   itsplit           1
 Momenta zeroed out, time           186199.80
- acceleration/energy drift too large   6.57138354195545     
-   23.4887713703747       split increased to            2  itime      931094 
-  itsplit           1
- acceleration/energy drift too large   5.77214532454626     
-   20.4211058453801       split increased to            2  itime      931148 
-  itsplit           1
- acceleration/energy drift too large   9.37126575954447     
-   41.0172120151200       split increased to            2  itime      931281 
+ acceleration/energy drift too large   5.27930883663743     
+   12.3879031441849       split increased to            2  itime      931263 
   itsplit           1
 Momenta zeroed out, time           186399.80
- acceleration/energy drift too large   1.82835996050459     
-   15.0059290746932       split increased to            2  itime      932074 
-  itsplit           1
- acceleration/energy drift too large   4.86890131548566     
-   11.5199496057446       split increased to            2  itime      932943 
+ acceleration/energy drift too large   7.80754282813007     
+   33.5315454203797       split increased to            2  itime      932487 
   itsplit           1
 Momenta zeroed out, time           186599.80
- acceleration/energy drift too large   6.40155256896947     
-   43.4554804636437       split increased to            2  itime      933493 
-  itsplit           1
-Momenta zeroed out, time           186799.80
- acceleration/energy drift too large   7.50059004566986     
-   26.6955740349520       split increased to            2  itime      934003 
+ acceleration/energy drift too large   4.00908511981754     
+   12.0338989996362       split increased to            2  itime      933330 
   itsplit           1
- acceleration/energy drift too large   4.59728930245477     
-   12.2782598969468       split increased to            2  itime      934351 
+ acceleration/energy drift too large   2.37576593921870     
+   14.6584269603875       split increased to            2  itime      933507 
   itsplit           1
- acceleration/energy drift too large   6.89704584470757     
-   13.7222490863244       split increased to            2  itime      934586 
+ acceleration/energy drift too large   4.48254367483987     
+   13.7063370570411       split increased to            2  itime      933520 
   itsplit           1
+Momenta zeroed out, time           186799.80
 Momenta zeroed out, time           186999.80
- acceleration/energy drift too large   4.53502516290939     
-   20.3055791329380       split increased to            2  itime      935013 
-  itsplit           1
- acceleration/energy drift too large   8.83679120889008     
-   21.7333940465729       split increased to            2  itime      935313 
+ acceleration/energy drift too large   5.25665930487048     
+   10.5118248380770       split increased to            2  itime      935238 
   itsplit           1
 Momenta zeroed out, time           187199.80
-Momenta zeroed out, time           187399.80
- acceleration/energy drift too large   5.78519448055853     
-   10.4720164898398       split increased to            2  itime      937146 
+ acceleration/energy drift too large   5.04033854141036     
+   11.2814009899846       split increased to            2  itime      936057 
   itsplit           1
- acceleration/energy drift too large   7.44967781670507     
-   25.5116946023765       split increased to            2  itime      937415 
+Momenta zeroed out, time           187399.80
+ acceleration/energy drift too large   1.79906818169745     
+   12.2877958498139       split increased to            2  itime      937274 
   itsplit           1
 Momenta zeroed out, time           187599.80
- acceleration/energy drift too large   3.98075822889201     
-   15.2429545537749       split increased to            2  itime      938503 
-  itsplit           1
- acceleration/energy drift too large   3.30319289685627     
-   26.3392590821546       split increased to            2  itime      938607 
+ acceleration/energy drift too large   8.62935450492395     
+   33.8344054757182       split increased to            2  itime      938637 
   itsplit           1
- acceleration/energy drift too large   5.98332595486607     
-   16.3428140501201       split increased to            2  itime      938691 
+ acceleration/energy drift too large   2.77813342575485     
+   14.9450526422970       split increased to            2  itime      938638 
   itsplit           1
 Momenta zeroed out, time           187799.80
- acceleration/energy drift too large   7.38779105374728     
-   31.4020008517599       split increased to            2  itime      939734 
-  itsplit           1
- acceleration/energy drift too large   6.33465698016791     
-   28.4648945926810       split increased to            2  itime      939829 
-  itsplit           1
 Velocities reset to random values, time           187999.80
 Momenta zeroed out, time           187999.80
- acceleration/energy drift too large   4.28737390385814     
-   17.8678900340984       split increased to            2  itime      940025 
-  itsplit           1
- acceleration/energy drift too large   6.02834296585276     
-   33.2234319510678       split increased to            2  itime      940227 
-  itsplit           1
- acceleration/energy drift too large   3.29145520728692     
-   15.0909409412256       split increased to            2  itime      940505 
+ acceleration/energy drift too large   5.60736430394881     
+   14.7336173657859       split increased to            2  itime      940344 
   itsplit           1
- acceleration/energy drift too large   5.28253417489973     
-   13.7826691306070       split increased to            2  itime      940633 
+ acceleration/energy drift too large   6.90989592623930     
+   27.7941970266507       split increased to            2  itime      940650 
   itsplit           1
 Momenta zeroed out, time           188199.80
- acceleration/energy drift too large   4.82244797887435     
-   11.7548688780057       split increased to            2  itime      941046 
-  itsplit           1
 Momenta zeroed out, time           188399.80
- acceleration/energy drift too large   4.97427674191378     
-   19.2999104846063       split increased to            2  itime      942470 
+ acceleration/energy drift too large   6.75020491373272     
+   17.7536272777414       split increased to            2  itime      942514 
   itsplit           1
- acceleration/energy drift too large   2.89849839939974     
-   12.8785097500540       split increased to            2  itime      942471 
+ acceleration/energy drift too large   6.03942510769606     
+   19.1564688095779       split increased to            2  itime      942875 
   itsplit           1
 Momenta zeroed out, time           188599.80
- acceleration/energy drift too large   4.84882067512140     
-   27.4093060684660       split increased to            2  itime      943974 
-  itsplit           1
 Momenta zeroed out, time           188799.80
- acceleration/energy drift too large   9.25269365201608     
-   45.5353697503488       split increased to            2  itime      944083 
-  itsplit           1
- acceleration/energy drift too large   2.20829770739285     
-   13.2325764864086       split increased to            2  itime      944195 
-  itsplit           1
- acceleration/energy drift too large   6.40892903863643     
-   12.2430682255821       split increased to            2  itime      944353 
+ acceleration/energy drift too large   11.2664822663354     
+   51.8718402314751       split increased to            2  itime      944597 
   itsplit           1
- acceleration/energy drift too large   4.44629016962344     
-   10.9722309372022       split increased to            2  itime      944429 
-  itsplit           1
- acceleration/energy drift too large   1.56042533996843     
-   10.9795319481456       split increased to            4  itime      944429 
-  itsplit           1
- acceleration/energy drift too large   2.82357791300707     
-   13.2193316301298       split increased to            2  itime      944747 
+ acceleration/energy drift too large   8.99230577758132     
+   27.1965849948955       split increased to            2  itime      944869 
   itsplit           1
 Momenta zeroed out, time           188999.80
- acceleration/energy drift too large   5.02983836483057     
-   10.0806436599942       split increased to            2  itime      945452 
-  itsplit           1
- acceleration/energy drift too large   7.41063266940320     
-   23.7926776617639       split increased to            2  itime      945465 
+ acceleration/energy drift too large   5.43861439488094     
+   20.8863860618903       split increased to            2  itime      945188 
   itsplit           1
 Momenta zeroed out, time           189199.80
-Momenta zeroed out, time           189399.80
- acceleration/energy drift too large   3.80152332488775     
-   15.8980729339276       split increased to            2  itime      947070 
+ acceleration/energy drift too large   4.93008515479953     
+   13.4632128732544       split increased to            2  itime      946764 
   itsplit           1
- acceleration/energy drift too large   3.29366871417220     
-   11.3249542302396       split increased to            2  itime      947380 
-  itsplit           1
- acceleration/energy drift too large   2.81753830893295     
-   13.6589341416050       split increased to            2  itime      947834 
-  itsplit           1
- acceleration/energy drift too large   3.47730606022134     
-   16.2362799817934       split increased to            2  itime      947907 
+Momenta zeroed out, time           189399.80
+ acceleration/energy drift too large   6.18220211790898     
+   10.8886641833341       split increased to            2  itime      947038 
   itsplit           1
 Momenta zeroed out, time           189599.80
- acceleration/energy drift too large   4.02844224010526     
-   17.1808839221079       split increased to            2  itime      948748 
-  itsplit           1
 Momenta zeroed out, time           189799.80
+ acceleration/energy drift too large   9.27318047324762     
+   23.3850465126159       split increased to            2  itime      949727 
+  itsplit           1
 Velocities reset to random values, time           189999.80
 Momenta zeroed out, time           189999.80
- acceleration/energy drift too large   2.70867104720310     
-   19.4731885281708       split increased to            2  itime      950076 
-  itsplit           1
- acceleration/energy drift too large   4.84024028948894     
-   14.5813568385148       split increased to            2  itime      950913 
-  itsplit           1
 Momenta zeroed out, time           190199.80
- acceleration/energy drift too large   6.47544150242603     
-   21.4642234522639       split increased to            2  itime      951360 
+ acceleration/energy drift too large   5.31001529313522     
+   27.5684311391091       split increased to            2  itime      951165 
   itsplit           1
- acceleration/energy drift too large   6.80094291180253     
-   18.6735393914305       split increased to            2  itime      951697 
+ acceleration/energy drift too large   11.0081778836693     
+   40.1190761125981       split increased to            2  itime      951233 
   itsplit           1
-Momenta zeroed out, time           190399.80
- acceleration/energy drift too large   6.30059950725289     
-   21.2742485781470       split increased to            2  itime      952406 
+ acceleration/energy drift too large   3.18219846886733     
+   17.8744503986324       split increased to            2  itime      951946 
   itsplit           1
- acceleration/energy drift too large   6.44138106988219     
-   14.8703701600357       split increased to            2  itime      952633 
+Momenta zeroed out, time           190399.80
+ acceleration/energy drift too large   6.10770848813571     
+   15.7168391151412       split increased to            2  itime      952372 
   itsplit           1
- acceleration/energy drift too large   2.69659728894400     
-   11.4365425806874       split increased to            2  itime      952822 
+ acceleration/energy drift too large   3.14336705796314     
+   15.9565718626345       split increased to            2  itime      952721 
   itsplit           1
 Momenta zeroed out, time           190599.80
- acceleration/energy drift too large   4.32471600929897     
-   25.0322080625598       split increased to            2  itime      953193 
+ acceleration/energy drift too large   7.25556456751958     
+   25.8512160150731       split increased to            2  itime      953154 
+  itsplit           1
+ acceleration/energy drift too large   5.27705797614478     
+   16.3994702245747       split increased to            2  itime      953388 
   itsplit           1
 Momenta zeroed out, time           190799.80
-Momenta zeroed out, time           190999.80
- acceleration/energy drift too large   9.51957984633647     
-   32.3784697235767       split increased to            2  itime      955091 
+ acceleration/energy drift too large   8.14816673781993     
+   33.4745705819704       split increased to            2  itime      954752 
+  itsplit           1
+ acceleration/energy drift too large   4.39740060142432     
+   12.0911929126424       split increased to            2  itime      954946 
   itsplit           1
+Momenta zeroed out, time           190999.80
 Momenta zeroed out, time           191199.80
- acceleration/energy drift too large   6.11297635490139     
-   12.0053240150675       split increased to            2  itime      956842 
+ acceleration/energy drift too large   6.53872071868291     
+   20.7490682243366       split increased to            2  itime      956347 
   itsplit           1
- acceleration/energy drift too large   2.97742217937003     
-   13.2527099232795       split increased to            2  itime      956843 
+ acceleration/energy drift too large   4.29424588401280     
+   21.8040320377200       split increased to            2  itime      956978 
   itsplit           1
 Momenta zeroed out, time           191399.80
-Momenta zeroed out, time           191599.80
- acceleration/energy drift too large   5.19396515608140     
-   12.8910111012916       split increased to            2  itime      958163 
-  itsplit           1
- acceleration/energy drift too large   3.76320973555498     
-   11.6856943467714       split increased to            2  itime      958604 
+ acceleration/energy drift too large   6.27164543381592     
+   13.7382980850510       split increased to            2  itime      957649 
   itsplit           1
+Momenta zeroed out, time           191599.80
 Momenta zeroed out, time           191799.80
- acceleration/energy drift too large   3.44304443764863     
-   14.0065742801876       split increased to            2  itime      959920 
+ acceleration/energy drift too large   6.67149624568872     
+   23.9230802879916       split increased to            2  itime      959086 
+  itsplit           1
+ acceleration/energy drift too large   4.55550941535902     
+   13.0360638675602       split increased to            2  itime      959733 
   itsplit           1
 Velocities reset to random values, time           191999.80
 Momenta zeroed out, time           191999.80
- acceleration/energy drift too large   4.61711917804709     
-   14.4128768774131       split increased to            2  itime      960325 
+ acceleration/energy drift too large   4.79044607258603     
+   22.6565623483829       split increased to            2  itime      960742 
   itsplit           1
- acceleration/energy drift too large   2.85740237189211     
-   15.2255106596694       split increased to            2  itime      960415 
+ acceleration/energy drift too large   4.76240789969348     
+   24.0149740544879       split increased to            2  itime      960807 
   itsplit           1
 Momenta zeroed out, time           192199.80
- acceleration/energy drift too large   5.41497946620876     
-   30.5983348128795       split increased to            2  itime      961338 
+ acceleration/energy drift too large   6.29424413826276     
+   18.3486077669428       split increased to            2  itime      961707 
   itsplit           1
- acceleration/energy drift too large   6.26906479060116     
-   34.8531675667531       split increased to            2  itime      961526 
+ acceleration/energy drift too large   6.33963963371977     
+   27.9299780649398       split increased to            2  itime      961853 
   itsplit           1
 Momenta zeroed out, time           192399.80
- acceleration/energy drift too large   3.94868229378194     
-   12.2268732415816       split increased to            2  itime      962124 
+ acceleration/energy drift too large   5.14491442838122     
+   27.8142419514433       split increased to            2  itime      962470 
+  itsplit           1
+ acceleration/energy drift too large   3.38922915363855     
+   13.5429266425217       split increased to            2  itime      962896 
   itsplit           1
 Momenta zeroed out, time           192599.80
- acceleration/energy drift too large   4.53321534648435     
-   12.5004876732368       split increased to            2  itime      963552 
+ acceleration/energy drift too large   4.41014272750660     
+   14.0332501725571       split increased to            2  itime      963020 
   itsplit           1
-Momenta zeroed out, time           192799.80
- acceleration/energy drift too large   3.69797750972460     
-   19.4272733160282       split increased to            2  itime      964155 
+ acceleration/energy drift too large   14.0409361831913     
+   73.9892832288609       split increased to            2  itime      963622 
   itsplit           1
- acceleration/energy drift too large   4.79489660810724     
-   22.0672699119570       split increased to            2  itime      964615 
+Momenta zeroed out, time           192799.80
+ acceleration/energy drift too large   3.19962553796617     
+   20.9001126343410       split increased to            2  itime      964437 
   itsplit           1
 Momenta zeroed out, time           192999.80
- acceleration/energy drift too large   3.39478453257051     
-   21.5200063743885       split increased to            2  itime      965037 
+ acceleration/energy drift too large   2.17314356355256     
+   10.6991244730608       split increased to            2  itime      965270 
   itsplit           1
- acceleration/energy drift too large   3.45449618606287     
-   11.8879445848827       split increased to            2  itime      965757 
+Momenta zeroed out, time           193199.80
+ acceleration/energy drift too large   6.02903530309220     
+   22.3053860313744       split increased to            2  itime      966248 
   itsplit           1
- acceleration/energy drift too large   3.84515894740195     
-   10.7501161693688       split increased to            2  itime      965918 
+ acceleration/energy drift too large   9.37963109675461     
+   22.3336975570064       split increased to            2  itime      966403 
+  itsplit           1
+ acceleration/energy drift too large   2.80723937303167     
+   18.7743272049805       split increased to            2  itime      966684 
+  itsplit           1
+ acceleration/energy drift too large   3.87206429728628     
+   17.8389343992755       split increased to            2  itime      966713 
   itsplit           1
-Momenta zeroed out, time           193199.80
 Momenta zeroed out, time           193399.80
- acceleration/energy drift too large   5.32409441696368     
-   15.1812340346935       split increased to            2  itime      967334 
+ acceleration/energy drift too large   2.16590770830402     
+   14.3399973599334       split increased to            2  itime      967226 
   itsplit           1
 Momenta zeroed out, time           193599.80
- acceleration/energy drift too large   5.89070814593973     
-   15.7984157588139       split increased to            2  itime      968600 
-  itsplit           1
- acceleration/energy drift too large   3.47389110893327     
-   10.1583151297925       split increased to            2  itime      968751 
+ acceleration/energy drift too large   3.06716596701785     
+   30.2667036885428       split increased to            2  itime      968823 
   itsplit           1
 Momenta zeroed out, time           193799.80
- acceleration/energy drift too large   3.01145544732724     
-   10.3135615024982       split increased to            2  itime      969757 
-  itsplit           1
 Velocities reset to random values, time           193999.80
 Momenta zeroed out, time           193999.80
- acceleration/energy drift too large   4.44785833057118     
-   19.2832772162211       split increased to            2  itime      970794 
+ acceleration/energy drift too large   2.33921418363848     
+   13.1139317240758       split increased to            2  itime      970614 
   itsplit           1
 Momenta zeroed out, time           194199.80
- acceleration/energy drift too large   6.40273138239173     
-   12.5279847286493       split increased to            2  itime      971387 
-  itsplit           1
- acceleration/energy drift too large   4.04497032310201     
-   29.3635911796394       split increased to            2  itime      971969 
+ acceleration/energy drift too large   8.89509760276470     
+   36.0368115870073       split increased to            2  itime      971618 
   itsplit           1
 Momenta zeroed out, time           194399.80
-Momenta zeroed out, time           194599.80
-Momenta zeroed out, time           194799.80
- acceleration/energy drift too large   5.04777109969542     
-   13.8436632079864       split increased to            2  itime      974996 
+ acceleration/energy drift too large   5.19437576725966     
+   21.8396763660332       split increased to            2  itime      972318 
   itsplit           1
-Momenta zeroed out, time           194999.80
- acceleration/energy drift too large   4.87818600398917     
-   16.7724603623020       split increased to            2  itime      975773 
+ acceleration/energy drift too large   3.90348507695355     
+   10.4627659113506       split increased to            2  itime      972553 
   itsplit           1
-Momenta zeroed out, time           195199.80
- acceleration/energy drift too large   14.2510014192865     
-   78.7224260920049       split increased to            2  itime      976111 
+Momenta zeroed out, time           194599.80
+ acceleration/energy drift too large   15.1552439539977     
+   77.5429983881677       split increased to            2  itime      973018 
   itsplit           1
- acceleration/energy drift too large   3.59119997406775     
-   19.8311962789895       split increased to            4  itime      976111 
+ acceleration/energy drift too large   3.62255360891838     
+   20.3337356771662       split increased to            4  itime      973018 
   itsplit           2
- acceleration/energy drift too large   3.07041818292100     
-   12.1395807576378       split increased to            2  itime      976216 
+ acceleration/energy drift too large   15.0773731274037     
+   106.730361742178       split increased to            2  itime      973514 
   itsplit           1
- acceleration/energy drift too large   3.95896199062650     
-   18.3713604367564       split increased to            2  itime      976596 
+ acceleration/energy drift too large   6.01073553117816     
+   16.3498539116983       split increased to            2  itime      973559 
   itsplit           1
- acceleration/energy drift too large   5.11720478850221     
-   19.6909739696777       split increased to            2  itime      976751 
+ acceleration/energy drift too large   3.03330689085973     
+   10.7244807577943       split increased to            2  itime      973736 
   itsplit           1
- acceleration/energy drift too large   2.47901289647953     
-   12.6878113402897       split increased to            2  itime      976985 
-  itsplit           1
-Momenta zeroed out, time           195399.80
-Momenta zeroed out, time           195599.80
- acceleration/energy drift too large   5.10390235032075     
-   32.5294617203894       split increased to            2  itime      978067 
-  itsplit           1
- acceleration/energy drift too large   5.97508312950953     
-   13.0656138079564       split increased to            2  itime      978630 
+Momenta zeroed out, time           194799.80
+Momenta zeroed out, time           194999.80
+ acceleration/energy drift too large   5.70769554678630     
+   11.8567732878742       split increased to            2  itime      975015 
   itsplit           1
-Momenta zeroed out, time           195799.80
-Velocities reset to random values, time           195999.80
-Momenta zeroed out, time           195999.80
- acceleration/energy drift too large   13.7743901534819     
-   77.2777909288128       split increased to            2  itime      980602 
+ acceleration/energy drift too large   7.68362191879211     
+   26.6864545805354       split increased to            2  itime      975101 
   itsplit           1
- acceleration/energy drift too large   3.19284033900280     
-   14.0394513622446       split increased to            2  itime      980646 
+ acceleration/energy drift too large   8.88579828689598     
+   32.9749359593257       split increased to            2  itime      975533 
   itsplit           1
- acceleration/energy drift too large   6.85272977006081     
-   52.0701133604783       split increased to            2  itime      980666 
+Momenta zeroed out, time           195199.80
+ acceleration/energy drift too large   2.27494489137774     
+   10.0016532600858       split increased to            2  itime      976012 
   itsplit           1
- acceleration/energy drift too large   3.37020127107209     
-   11.9941580658366       split increased to            2  itime      980699 
+Momenta zeroed out, time           195399.80
+ acceleration/energy drift too large   3.66890549836824     
+   23.6048671941810       split increased to            2  itime      977580 
   itsplit           1
-Momenta zeroed out, time           196199.80
- acceleration/energy drift too large   5.22278911854058     
-   29.6113370260116       split increased to            2  itime      981043 
+ acceleration/energy drift too large   4.61094179287409     
+   15.0729042705347       split increased to            2  itime      977915 
   itsplit           1
- acceleration/energy drift too large   3.79006144020000     
-   13.9588471007976       split increased to            2  itime      981852 
+ acceleration/energy drift too large   4.56927343456403     
+   10.1362460528505       split increased to            2  itime      977982 
   itsplit           1
-Momenta zeroed out, time           196399.80
- acceleration/energy drift too large   5.59190830667799     
-   20.3070469160867       split increased to            2  itime      982664 
+Momenta zeroed out, time           195599.80
+ acceleration/energy drift too large   5.80908005292603     
+   12.0135520310286       split increased to            2  itime      978078 
   itsplit           1
- acceleration/energy drift too large   5.11147642294127     
-   19.9166790699390       split increased to            2  itime      982667 
+Momenta zeroed out, time           195799.80
+ acceleration/energy drift too large   11.3503029539346     
+   48.2875063075134       split increased to            2  itime      979334 
   itsplit           1
- acceleration/energy drift too large   5.00591289255303     
-   19.2666134176686       split increased to            2  itime      982759 
+ acceleration/energy drift too large   2.71188707872548     
+   11.2246572752958       split increased to            4  itime      979334 
   itsplit           1
-Momenta zeroed out, time           196599.80
- acceleration/energy drift too large   6.00603459424953     
-   10.4792673918849       split increased to            2  itime      983201 
+Velocities reset to random values, time           195999.80
+Momenta zeroed out, time           195999.80
+ acceleration/energy drift too large   4.49774658347009     
+   14.0207197421887       split increased to            2  itime      980030 
   itsplit           1
- acceleration/energy drift too large   5.35357259089159     
-   20.1951852702262       split increased to            2  itime      983493 
+Momenta zeroed out, time           196199.80
+ acceleration/energy drift too large   5.85649068568362     
+   39.2486807992640       split increased to            2  itime      981936 
   itsplit           1
- acceleration/energy drift too large   3.67716952560393     
-   11.4994731751269       split increased to            2  itime      983540 
+ acceleration/energy drift too large   4.87721002623289     
+   11.6473147741579       split increased to            2  itime      981988 
   itsplit           1
-Momenta zeroed out, time           196799.80
- acceleration/energy drift too large   3.36014948498464     
-   10.1953662912081       split increased to            2  itime      984119 
+Momenta zeroed out, time           196399.80
+ acceleration/energy drift too large   2.74904037843376     
+   10.3130441650798       split increased to            2  itime      982307 
   itsplit           1
- acceleration/energy drift too large   2.59623433408214     
-   14.1004899243130       split increased to            2  itime      984301 
+ acceleration/energy drift too large   8.38821607376124     
+   31.2376868227939       split increased to            2  itime      982412 
   itsplit           1
- acceleration/energy drift too large   1.32831470195622     
-   10.3479106814767       split increased to            2  itime      984302 
+ acceleration/energy drift too large   4.40722309988576     
+   12.5638885015938       split increased to            2  itime      982529 
   itsplit           1
- acceleration/energy drift too large   3.93560020481473     
-   11.0374069549597       split increased to            2  itime      984917 
+ acceleration/energy drift too large   6.06612489368554     
+   14.3883347043349       split increased to            2  itime      982625 
   itsplit           1
+Momenta zeroed out, time           196599.80
+Momenta zeroed out, time           196799.80
 Momenta zeroed out, time           196999.80
- acceleration/energy drift too large   5.22174022714188     
-   11.0922016533498       split increased to            2  itime      985339 
-  itsplit           1
- acceleration/energy drift too large   6.80401456690213     
-   16.5651820788324       split increased to            2  itime      985415 
-  itsplit           1
 Momenta zeroed out, time           197199.80
- acceleration/energy drift too large   3.71614084263799     
-   12.3937693009184       split increased to            2  itime      986103 
-  itsplit           1
 Momenta zeroed out, time           197399.80
- acceleration/energy drift too large   3.52885199147798     
-   10.0464059713956       split increased to            2  itime      987094 
+ acceleration/energy drift too large   3.20245704008770     
+   11.6712230583542       split increased to            2  itime      987118 
   itsplit           1
- acceleration/energy drift too large   13.0489585815938     
-   65.4504735972120       split increased to            2  itime      987371 
-  itsplit           1
- acceleration/energy drift too large   3.08312514120848     
-   11.8742872961056       split increased to            2  itime      987862 
+ acceleration/energy drift too large   3.43237337499891     
+   13.7642202438480       split increased to            2  itime      987333 
   itsplit           1
 Momenta zeroed out, time           197599.80
-Momenta zeroed out, time           197799.80
- acceleration/energy drift too large   4.40311729625855     
-   22.7494217283959       split increased to            2  itime      989947 
+ acceleration/energy drift too large   7.02443651265906     
+   14.3349668792879       split increased to            2  itime      988562 
   itsplit           1
- acceleration/energy drift too large   3.16232665490005     
-   11.0315900337634       split increased to            2  itime      989948 
+ acceleration/energy drift too large   5.27712308978857     
+   23.6278023163737       split increased to            2  itime      988915 
+  itsplit           1
+Momenta zeroed out, time           197799.80
+ acceleration/energy drift too large   14.3101258271564     
+   73.8753012495806       split increased to            2  itime      989419 
   itsplit           1
 Velocities reset to random values, time           197999.80
 Momenta zeroed out, time           197999.80
- acceleration/energy drift too large   3.90063703810553     
-   14.5862234984144       split increased to            2  itime      990873 
+ acceleration/energy drift too large   4.34596405324685     
+   12.3113228469799       split increased to            2  itime      990181 
   itsplit           1
- acceleration/energy drift too large   2.72294450490652     
-   14.1513355671973       split increased to            2  itime      990874 
+ acceleration/energy drift too large   2.87924359022066     
+   13.8681822075700       split increased to            2  itime      990417 
   itsplit           1
 Momenta zeroed out, time           198199.80
+ acceleration/energy drift too large   7.40783346782682     
+   37.7812948844625       split increased to            2  itime      991184 
+  itsplit           1
+ acceleration/energy drift too large   7.38997031870466     
+   28.8355688071303       split increased to            2  itime      991789 
+  itsplit           1
 Momenta zeroed out, time           198399.80
- acceleration/energy drift too large   4.51526368348061     
-   10.0148922372738       split increased to            2  itime      992820 
+ acceleration/energy drift too large   8.37351315498724     
+   14.6829168729824       split increased to            2  itime      992743 
   itsplit           1
- acceleration/energy drift too large   4.35208521404565     
-   12.8746263362133       split increased to            2  itime      992849 
+ acceleration/energy drift too large   5.01687445639945     
+   17.9050346606518       split increased to            2  itime      992782 
   itsplit           1
 Momenta zeroed out, time           198599.80
- acceleration/energy drift too large   4.47616294833793     
-   17.7265924750892       split increased to            2  itime      993801 
+ acceleration/energy drift too large   6.80245166332971     
+   16.2098379219746       split increased to            2  itime      993069 
   itsplit           1
- acceleration/energy drift too large   6.76338513742721     
-   21.2784590528055       split increased to            2  itime      993881 
+ acceleration/energy drift too large   6.73834600900413     
+   11.0102482849279       split increased to            2  itime      993938 
   itsplit           1
- acceleration/energy drift too large   4.03577714486120     
-   12.0764098845261       split increased to            2  itime      993984 
+Momenta zeroed out, time           198799.80
+ acceleration/energy drift too large   5.23608059925471     
+   20.6057091523640       split increased to            2  itime      994438 
   itsplit           1
- acceleration/energy drift too large   6.99260271982498     
-   19.7922672164705       split increased to            2  itime      993991 
+ acceleration/energy drift too large   4.32890395213642     
+   12.9860246731788       split increased to            2  itime      994447 
   itsplit           1
-Momenta zeroed out, time           198799.80
 Momenta zeroed out, time           198999.80
- acceleration/energy drift too large   3.36452823331302     
-   12.6707714419714       split increased to            2  itime      995688 
-  itsplit           1
 Momenta zeroed out, time           199199.80
- acceleration/energy drift too large   5.42495227067570     
-   17.8136197130566       split increased to            2  itime      996159 
-  itsplit           1
- acceleration/energy drift too large   7.85444073223115     
-   15.7926321589601       split increased to            2  itime      996591 
-  itsplit           1
 Momenta zeroed out, time           199399.80
- acceleration/energy drift too large   6.70639610662522     
-   44.5153611571803       split increased to            2  itime      997124 
-  itsplit           1
 Momenta zeroed out, time           199599.80
-Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   6.87872815896283     
-   17.4815283895119       split increased to            2  itime      999896 
+ acceleration/energy drift too large   5.73655678863139     
+   22.4416768656089       split increased to            2  itime      998634 
   itsplit           1
+Momenta zeroed out, time           199799.80
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    3.07977E+02
+                  MD calculations setup:    2.34375E-02
+           Energy & gradient evaluation:    3.70215E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.25562E+02
+                               MD steps:    4.04918E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   331.480468750000       sec
+ Total wall clock time   417.015625000000       sec
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_000.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_000.rst
index 4ca1cf4..713d3d5 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_000.rst
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_000.rst
@@ -1,90 +1,90 @@
-   200000.000002666        30.7593164416587       -25.0852079308218     
-   5.67410851083685        300.000000000000     
+   200000.000002666        33.5609051397689       -28.0562946220985     
+   5.50461051767042        300.000000000000     
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-    0.27665E+00    0.18559E+00   -0.11367E+00
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     0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_001.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_001.rst
index f335d4e..2f31c5e 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_001.rst
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_001.rst
@@ -1,90 +1,90 @@
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-  -6.15960524603536        300.000000000000     
+   200000.000002666        25.6106385458663       -31.7439119588825     
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_002.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_002.rst
index 72c8b31..44abc55 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_002.rst
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_002.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_003.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_003.rst
index 065cdad..da30784 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_003.rst
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_003.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_004.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_004.rst
index d6fca74..baf3a80 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_004.rst
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_004.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_005.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_005.rst
index f03e742..cecf5fa 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_005.rst
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_005.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_006.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_006.rst
index c32ec74..d721e85 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_006.rst
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_006.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_007.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_007.rst
index 2a08dc5..5d4e595 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_007.rst
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_007.rst
@@ -1,90 +1,90 @@
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-   6.10015575442661        300.000000000000     
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB000.stat b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB000.stat
index 8492d6f..d6e85e3 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB000.stat
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB000.stat
@@ -1,101 +1,101 @@
          0           0.00      31.622      24.828      56.450  12.87 0.000   NaN   NaN 0.708     286.889     300.000      15.552    0 
-     10000        2000.00      28.891     -28.236       0.656   3.75 0.143 0.750 0.358 0.969     262.118     300.000       7.085    0 
-     20000        4000.00      37.654     -22.976      14.678   3.07 0.286 0.600 0.245 1.348     341.617     300.000       7.503    0 
-     30000        6000.00      29.772     -26.115       3.657   5.40 0.071 0.857 0.247 1.207     270.106     300.000       7.657    0 
-     40000        8000.00      34.098      -8.135      25.963   7.39 0.071 0.750 0.182 1.975     309.357     300.000      10.522    0 
-     50000       10000.00      34.757     -30.187       4.569   5.51 0.214 0.667 0.273 2.362     315.329     300.000       7.435    0 
-     60000       12000.00      30.893     -20.770      10.123   4.05 0.071 0.750 0.193 1.101     280.278     300.000       7.853    0 
-     70000       14000.00      31.722     -27.866       3.857   3.80 0.214 0.571 0.188 1.046     287.802     300.000       7.720    0 
-     80000       16000.00      31.509     -22.588       8.921   3.63 0.214 0.700 0.327 2.053     285.863     300.000       7.102    0 
-     90000       18000.00      28.719     -30.524      -1.805   4.29 0.214 0.667 0.293 1.108     260.549     300.000       7.558    0 
-    100000       20000.00      26.688     -27.164      -0.477   3.34 0.214 0.400 0.164 1.416     242.126     300.000       7.989    0 
-    110000       22000.00      26.954     -26.568       0.387   4.60 0.214 0.700 0.391 0.799     244.544     300.000       7.839    0 
-    120000       24000.00      25.088     -28.194      -3.106   4.04 0.286 0.667 0.333 0.794     227.612     300.000       7.358    0 
-    130000       26000.00      33.014     -33.144      -0.130   3.67 0.357 0.444 0.414 1.265     299.524     300.000       7.442    0 
-    140000       28000.00      29.412     -23.064       6.348   5.28 0.214 0.571 0.234 1.458     266.839     300.000       8.037    0 
-    150000       30000.00      34.963     -28.441       6.523   4.55 0.429 0.400 0.255 1.622     317.206     300.000       7.663    0 
-    160000       32000.00      30.799     -32.257      -1.458   4.22 0.286 0.500 0.250 1.804     279.424     300.000       7.712    0 
-    170000       34000.00      32.052     -27.902       4.150   5.75 0.214 0.667 0.222 1.300     290.791     300.000       7.203    0 
-    180000       36000.00      26.292     -22.144       4.148   5.06 0.214 0.667 0.283 1.019     238.536     300.000       7.733    0 
-    190000       38000.00      26.216     -31.590      -5.375   6.06 0.286 0.600 0.155 2.668     237.843     300.000       9.353    0 
-    200000       40000.00      35.735     -37.896      -2.162   3.63 0.286 0.500 0.312 1.917     324.205     300.000       7.602    0 
-    210000       42000.00      37.383     -28.186       9.197   4.24 0.286 0.667 0.345 1.400     339.157     300.000       6.534    0 
-    220000       44000.00      35.758     -24.132      11.626   4.80 0.143 0.714 0.383 1.091     324.417     300.000       7.585    0 
-    230000       46000.00      25.067     -12.659      12.408   8.37 0.286 0.429 0.156 4.143     227.421     300.000      11.437    0 
-    240000       48000.00      30.647     -18.014      12.633   5.09 0.000 1.000 0.182 1.726     278.048     300.000       8.806    0 
-    250000       50000.00      26.536     -23.673       2.864   5.34 0.000 1.000 0.341 0.911     240.753     300.000       8.049    0 
-    260000       52000.00      29.478     -23.553       5.925   3.84 0.143 0.800 0.395 0.990     267.440     300.000       7.085    0 
-    270000       54000.00      39.594     -38.571       1.023   4.29 0.357 0.615 0.339 1.192     359.213     300.000       7.149    0 
-    280000       56000.00      27.616     -35.897      -8.281   3.54 0.071 0.909 0.231 1.743     250.546     300.000       7.701    0 
-    290000       58000.00      25.716     -24.386       1.331   5.35 0.357 0.444 0.247 1.155     233.311     300.000       7.306    0 
-    300000       60000.00      29.031     -30.015      -0.984   4.82 0.214 0.400 0.409 1.097     263.380     300.000       7.269    0 
-    310000       62000.00      27.932     -26.815       1.117   4.42 0.071 0.750 0.341 0.982     253.413     300.000       7.358    0 
-    320000       64000.00      28.806     -31.184      -2.378   4.59 0.214 0.667 0.258 2.662     261.341     300.000       7.549    0 
-    330000       66000.00      33.897     -19.656      14.241   5.37 0.214 0.625 0.267 1.339     307.529     300.000       7.770    0 
-    340000       68000.00      29.291     -32.788      -3.497   5.56 0.286 0.556 0.167 2.169     265.746     300.000       9.060    0 
-    350000       70000.00      24.481     -31.262      -6.781   5.49 0.071 0.833 0.205 1.599     222.107     300.000       8.136    0 
-    360000       72000.00      25.463     -37.096     -11.633   5.02 0.429 0.455 0.260 1.431     231.012     300.000       6.942    0 
-    370000       74000.00      27.750     -43.060     -15.310   5.45 0.143 0.778 0.207 1.987     251.765     300.000       7.611    0 
-    380000       76000.00      27.346     -39.963     -12.617   5.55 0.357 0.583 0.333 1.067     248.098     300.000       6.554    0 
-    390000       78000.00      35.003     -29.166       5.838   4.29 0.143 0.667 0.280 1.302     317.570     300.000       7.389    0 
-    400000       80000.00      31.120     -32.973      -1.853   5.72 0.143 0.778 0.389 2.317     282.333     300.000       6.969    0 
-    410000       82000.00      24.385     -37.855     -13.470   7.00 0.143 0.778 0.242 1.240     221.235     300.000       7.047    0 
-    420000       84000.00      41.010     -17.783      23.227   6.85 0.071 0.750 0.193 2.519     372.063     300.000      10.604    0 
-    430000       86000.00      28.594     -41.945     -13.351   4.26 0.500 0.500 0.260 1.728     259.416     300.000       6.906    0 
-    440000       88000.00      37.443     -22.321      15.122   7.73 0.071 0.667 0.152 2.810     339.698     300.000      10.313    0 
-    450000       90000.00      27.562     -23.269       4.293   5.91 0.000 1.000 0.227 1.969     250.061     300.000       8.446    0 
-    460000       92000.00      34.914     -19.218      15.696   4.56 0.143 0.750 0.358 1.815     316.760     300.000       6.766    0 
-    470000       94000.00      38.568     -27.861      10.708   4.78 0.214 0.571 0.312 2.948     349.913     300.000       7.400    0 
-    480000       96000.00      26.029     -25.882       0.147   4.24 0.071 0.833 0.273 1.380     236.147     300.000       7.900    0 
-    490000       98000.00      33.574     -26.175       7.399   4.62 0.214 0.500 0.348 0.947     304.603     300.000       7.165    0 
-    500000      100000.00      26.526     -31.102      -4.575   6.34 0.143 0.714 0.292 2.418     240.662     300.000       7.250    0 
-    510000      102000.00      28.827     -36.261      -7.434   7.23 0.286 0.500 0.170 1.942     261.532     300.000       8.156    0 
-    520000      104000.00      27.079     -28.484      -1.404   5.92 0.071 0.857 0.162 1.806     245.679     300.000       7.992    0 
-    530000      106000.00      26.799     -38.441     -11.641   5.44 0.357 0.545 0.269 1.004     243.137     300.000       6.993    0 
-    540000      108000.00      28.154     -21.778       6.376   5.45 0.357 0.167 0.288 1.958     255.427     300.000       7.656    0 
-    550000      110000.00      34.564     -10.593      23.972   4.80 0.214 0.727 0.182 1.236     313.586     300.000       7.883    0 
-    560000      112000.00      28.377     -37.283      -8.906   6.70 0.286 0.600 0.195 1.667     257.451     300.000       7.594    0 
-    570000      114000.00      32.000     -20.960      11.039   3.03 0.214 0.571 0.149 1.694     290.319     300.000       8.063    0 
-    580000      116000.00      38.549     -28.142      10.407   4.57 0.286 0.600 0.191 2.183     349.735     300.000       7.560    0 
-    590000      118000.00      25.547     -28.451      -2.904   4.55 0.000 1.000 0.409 1.846     231.775     300.000       7.695    0 
-    600000      120000.00      29.087     -32.655      -3.568   4.36 0.286 0.429 0.416 3.037     263.889     300.000       7.632    0 
-    610000      122000.00      34.867     -24.158      10.709   5.31 0.143 0.714 0.227 1.523     316.332     300.000       7.877    0 
-    620000      124000.00      32.455     -28.290       4.165   4.56 0.214 0.700 0.395 1.760     294.446     300.000       7.294    0 
-    630000      126000.00      27.453     -38.732     -11.279   4.10 0.071 0.875 0.273 2.641     249.071     300.000       7.639    0 
-    640000      128000.00      33.460     -43.061      -9.601   5.00 0.286 0.750 0.392 0.893     303.570     300.000       6.713    0 
-    650000      130000.00      32.318     -28.622       3.696   5.01 0.214 0.625 0.381 2.405     293.208     300.000       7.420    0 
-    660000      132000.00      22.071     -22.682      -0.611   6.14 0.143 0.667 0.318 2.125     200.236     300.000       8.560    0 
-    670000      134000.00      36.329     -27.286       9.042   4.35 0.286 0.667 0.352 1.803     329.593     300.000       7.036    0 
-    680000      136000.00      31.716     -40.421      -8.705   3.27 0.286 0.600 0.268 1.473     287.745     300.000       7.357    0 
-    690000      138000.00      27.462     -21.459       6.003   4.42 0.286 0.556 0.247 2.949     249.149     300.000       7.209    0 
-    700000      140000.00      22.742     -23.750      -1.008   6.30 0.071 0.800 0.318 1.518     206.327     300.000       7.690    0 
-    710000      142000.00      28.165     -10.022      18.143   4.92 0.143 0.800 0.286 3.284     255.529     300.000       7.548    0 
-    720000      144000.00      27.602     -34.183      -6.581   4.66 0.071 0.909 0.475 1.421     250.421     300.000       7.432    0 
-    730000      146000.00      35.609     -18.225      17.384   5.14 0.214 0.571 0.208 2.503     323.062     300.000       7.763    0 
-    740000      148000.00      25.831     -39.225     -13.394   6.14 0.286 0.636 0.244 1.185     234.348     300.000       7.511    0 
-    750000      150000.00      30.023     -32.857      -2.834   5.06 0.214 0.700 0.277 2.426     272.384     300.000       7.240    0 
-    760000      152000.00      27.505     -30.777      -3.272   5.62 0.286 0.636 0.310 1.874     249.538     300.000       6.809    0 
-    770000      154000.00      27.853     -20.787       7.065   5.99 0.143 0.714 0.331 1.082     252.693     300.000       6.899    0 
-    780000      156000.00      26.885     -26.682       0.203   5.31 0.357 0.706 0.361 2.178     243.918     300.000       6.864    0 
-    790000      158000.00      29.205     -25.478       3.727   5.19 0.071 0.857 0.403 1.531     264.961     300.000       7.319    0 
-    800000      160000.00      26.541     -29.835      -3.294   5.51 0.214 0.571 0.266 1.130     240.795     300.000       7.103    0 
-    810000      162000.00      25.907     -15.707      10.200   6.06 0.000 1.000 0.159 1.236     235.040     300.000       9.573    0 
-    820000      164000.00      28.593     -24.263       4.330   3.92 0.071 0.750 0.375 1.008     259.412     300.000       8.299    0 
-    830000      166000.00      30.803     -29.643       1.160   4.78 0.357 0.583 0.223 2.151     279.457     300.000       6.660    0 
-    840000      168000.00      29.939     -30.374      -0.436   4.39 0.143 0.833 0.428 2.721     271.618     300.000       6.992    0 
-    850000      170000.00      24.937     -23.434       1.503   4.22 0.214 0.727 0.331 1.362     226.238     300.000       7.199    0 
-    860000      172000.00      33.224     -26.979       6.245   4.84 0.071 0.875 0.347 1.385     301.425     300.000       7.182    0 
-    870000      174000.00      37.476     -15.085      22.391   5.99 0.000 1.000 0.227 2.376     340.004     300.000       7.939    0 
-    880000      176000.00      28.752     -25.063       3.689   6.14 0.286 0.556 0.323 2.588     260.851     300.000       7.670    0 
-    890000      178000.00      26.762     -26.807      -0.045   5.11 0.143 0.778 0.328 1.268     242.801     300.000       7.346    0 
-    900000      180000.00      29.250     -16.781      12.469  10.26 0.143 0.000 0.159 1.103     265.370     300.000      13.675    0 
-    910000      182000.00      29.937     -12.834      17.103   6.99 0.071 0.000 0.136 1.399     271.603     300.000      10.495    0 
-    920000      184000.00      28.331     -33.897      -5.566   5.06 0.143 0.857 0.377 1.175     257.036     300.000       6.830    0 
-    930000      186000.00      25.962     -34.814      -8.852   4.72 0.143 0.667 0.250 1.031     235.542     300.000       6.896    0 
-    940000      188000.00      29.557     -36.719      -7.162   4.79 0.143 0.846 0.336 1.401     268.158     300.000       6.977    0 
-    950000      190000.00      29.774     -31.925      -2.151   4.49 0.214 0.700 0.295 2.096     270.126     300.000       6.746    0 
-    960000      192000.00      27.242     -36.609      -9.367   5.02 0.214 0.667 0.328 2.197     247.153     300.000       6.987    0 
-    970000      194000.00      34.610     -32.715       1.895   5.04 0.214 0.750 0.375 1.449     314.001     300.000       6.698    0 
-    980000      196000.00      29.355     -34.172      -4.817   3.91 0.143 0.750 0.352 1.002     266.321     300.000       7.094    0 
-    990000      198000.00      31.920     -20.408      11.513   4.69 0.286 0.556 0.202 1.943     289.599     300.000       7.359    0 
-   1000000      200000.00      30.759     -25.085       5.674   4.36 0.071 0.833 0.220 1.636     279.064     300.000       7.300    0 
+     10000        2000.00      28.831     -30.818      -1.986   5.53 0.071 0.833 0.333 2.233     261.572     300.000       7.508    0 
+     20000        4000.00      41.698     -25.868      15.830   4.68 0.143 0.800 0.305 2.360     378.308     300.000       7.252    0 
+     30000        6000.00      29.463     -33.415      -3.952   4.72 0.357 0.667 0.333 1.388     267.307     300.000       7.104    0 
+     40000        8000.00      29.422     -10.974      18.448   7.78 0.071 0.750 0.136 1.545     266.934     300.000       9.339    0 
+     50000       10000.00      27.418     -17.698       9.720   3.73 0.214 0.625 0.256 2.114     248.751     300.000       7.781    0 
+     60000       12000.00      28.385     -19.478       8.907   2.87 0.286 0.429 0.357 1.119     257.524     300.000       6.922    0 
+     70000       14000.00      31.340     -16.924      14.416   7.61 0.071 0.500 0.136 1.099     284.335     300.000      10.812    0 
+     80000       16000.00      38.541     -35.218       3.323   3.78 0.500 0.500 0.227 1.794     349.666     300.000       7.282    0 
+     90000       18000.00      28.230     -35.955      -7.724   4.93 0.143 0.800 0.286 1.219     256.118     300.000       7.398    0 
+    100000       20000.00      25.375     -29.821      -4.447   4.06 0.286 0.667 0.367 1.031     230.212     300.000       7.293    0 
+    110000       22000.00      26.016     -30.388      -4.372   6.92 0.071 0.833 0.205 1.331     236.027     300.000       7.835    0 
+    120000       24000.00      27.557     -24.672       2.885   5.67 0.214 0.625 0.415 1.446     250.014     300.000       7.187    0 
+    130000       26000.00      35.304     -34.141       1.163   5.61 0.143 0.778 0.409 2.051     320.296     300.000       6.997    0 
+    140000       28000.00      29.426     -29.559      -0.134   5.83 0.143 0.714 0.188 0.868     266.966     300.000       8.851    0 
+    150000       30000.00      33.714     -20.617      13.096   6.45 0.214 0.727 0.198 1.441     305.867     300.000       7.812    0 
+    160000       32000.00      28.497     -19.660       8.837   6.12 0.000 1.000 0.136 1.655     258.544     300.000       9.835    0 
+    170000       34000.00      29.525     -20.003       9.522   5.65 0.214 0.667 0.283 2.742     267.867     300.000       8.679    0 
+    180000       36000.00      29.400     -24.612       4.788   6.08 0.286 0.500 0.261 1.013     266.736     300.000       7.039    0 
+    190000       38000.00      26.959     -33.495      -6.537   5.06 0.214 0.750 0.375 2.197     244.582     300.000       7.141    0 
+    200000       40000.00      30.160     -32.013      -1.853   4.42 0.214 0.625 0.233 1.299     273.627     300.000       7.577    0 
+    210000       42000.00      33.178     -29.279       3.899   6.50 0.143 0.778 0.338 1.914     301.005     300.000       7.062    0 
+    220000       44000.00      30.654     -24.965       5.689   5.13 0.357 0.500 0.205 1.455     278.112     300.000       7.415    0 
+    230000       46000.00      23.185     -33.594     -10.409   3.65 0.357 0.688 0.381 2.575     210.344     300.000       6.535    0 
+    240000       48000.00      32.817     -28.693       4.124   6.84 0.286 0.429 0.188 0.997     297.734     300.000       9.062    0 
+    250000       50000.00      29.202     -40.782     -11.580   3.58 0.500 0.533 0.379 0.679     264.936     300.000       6.406    0 
+    260000       52000.00      28.861     -22.047       6.814   3.97 0.286 0.429 0.396 1.979     261.838     300.000       7.529    0 
+    270000       54000.00      33.647     -24.523       9.124   4.07 0.143 0.857 0.458 2.289     305.260     300.000       6.507    0 
+    280000       56000.00      27.379     -33.855      -6.476   5.71 0.214 0.786 0.386 2.288     248.398     300.000       6.858    0 
+    290000       58000.00      26.234     -29.643      -3.409   4.75 0.214 0.667 0.273 1.625     238.012     300.000       6.911    0 
+    300000       60000.00      28.997     -30.722      -1.724   3.67 0.214 0.625 0.381 1.241     263.079     300.000       6.966    0 
+    310000       62000.00      28.896     -25.159       3.736   4.42 0.214 0.571 0.312 1.657     262.156     300.000       7.425    0 
+    320000       64000.00      30.691     -37.627      -6.936   2.76 0.286 0.667 0.265 2.375     278.445     300.000       6.538    0 
+    330000       66000.00      27.313     -24.888       2.425   3.16 0.286 0.714 0.367 1.366     247.801     300.000       6.707    0 
+    340000       68000.00      28.856     -30.813      -1.958   3.72 0.071 0.857 0.260 1.446     261.795     300.000       7.639    0 
+    350000       70000.00      23.853     -33.057      -9.204   3.34 0.286 0.733 0.345 1.355     216.409     300.000       6.667    0 
+    360000       72000.00      28.304     -30.093      -1.789   3.42 0.357 0.286 0.208 1.121     256.792     300.000       7.612    0 
+    370000       74000.00      23.657     -30.844      -7.187   4.33 0.143 0.667 0.220 1.606     214.628     300.000       7.117    0 
+    380000       76000.00      23.905     -33.998     -10.093   4.74 0.214 0.667 0.273 1.262     216.882     300.000       7.327    0 
+    390000       78000.00      29.793     -30.615      -0.822   4.54 0.286 0.692 0.329 1.444     270.296     300.000       6.928    0 
+    400000       80000.00      31.787     -31.602       0.185   5.28 0.214 0.625 0.210 0.944     288.388     300.000       7.416    0 
+    410000       82000.00      28.498     -30.271      -1.773   5.12 0.071 0.889 0.404 1.161     258.552     300.000       7.456    0 
+    420000       84000.00      38.019     -32.322       5.697   4.48 0.214 0.769 0.311 1.516     344.930     300.000       6.944    0 
+    430000       86000.00      32.507     -18.707      13.800   6.24 0.143 0.750 0.261 2.183     294.921     300.000       7.345    0 
+    440000       88000.00      34.188     -24.115      10.073   4.88 0.143 0.833 0.326 1.636     310.170     300.000       7.248    0 
+    450000       90000.00      28.334     -29.019      -0.685   6.30 0.214 0.786 0.250 1.872     257.063     300.000       7.695    0 
+    460000       92000.00      35.447     -15.903      19.544   6.27 0.143 0.667 0.212 1.501     321.589     300.000       9.332    0 
+    470000       94000.00      31.349     -21.984       9.366   7.32 0.214 0.500 0.152 3.323     284.418     300.000       9.815    0 
+    480000       96000.00      27.117     -17.200       9.918   6.01 0.071 0.750 0.239 1.085     246.021     300.000       9.066    0 
+    490000       98000.00      32.459     -40.577      -8.117   5.34 0.143 0.600 0.164 0.881     294.488     300.000       9.072    0 
+    500000      100000.00      24.960     -23.426       1.535   3.32 0.214 0.700 0.191 1.802     226.452     300.000       8.024    0 
+    510000      102000.00      26.217     -25.322       0.895   4.57 0.071 0.889 0.293 0.754     237.855     300.000       7.185    0 
+    520000      104000.00      28.427     -35.601      -7.174   4.89 0.214 0.625 0.295 0.867     257.901     300.000       6.865    0 
+    530000      106000.00      28.016     -29.803      -1.788   6.02 0.214 0.727 0.285 1.089     254.174     300.000       6.867    0 
+    540000      108000.00      24.523     -30.328      -5.805   3.06 0.357 0.545 0.182 1.118     222.489     300.000       7.534    0 
+    550000      110000.00      32.688     -31.169       1.519   5.97 0.214 0.700 0.377 1.983     296.562     300.000       7.166    0 
+    560000      112000.00      28.085     -30.159      -2.074   4.65 0.143 0.800 0.355 1.281     254.800     300.000       7.440    0 
+    570000      114000.00      30.861     -20.934       9.927   5.39 0.143 0.600 0.209 3.889     279.989     300.000       9.110    0 
+    580000      116000.00      37.529     -22.580      14.949   5.76 0.143 0.778 0.232 2.600     340.478     300.000       7.312    0 
+    590000      118000.00      26.252     -36.983     -10.730   6.15 0.286 0.692 0.308 1.195     238.176     300.000       6.795    0 
+    600000      120000.00      28.738     -21.301       7.437   4.74 0.286 0.692 0.248 1.200     260.725     300.000       6.598    0 
+    610000      122000.00      30.999     -28.967       2.032   5.75 0.357 0.286 0.188 1.385     281.242     300.000       9.951    0 
+    620000      124000.00      32.068     -19.772      12.296   4.16 0.357 0.444 0.253 2.225     290.935     300.000       7.552    0 
+    630000      126000.00      26.610     -43.049     -16.438   3.96 0.143 0.778 0.374 1.056     241.422     300.000       6.888    0 
+    640000      128000.00      34.052     -18.738      15.314   7.45 0.143 0.500 0.159 1.410     308.939     300.000      10.443    0 
+    650000      130000.00      35.795     -30.417       5.378   4.99 0.286 0.692 0.325 1.450     324.751     300.000       6.983    0 
+    660000      132000.00      21.194     -31.135      -9.941   3.26 0.286 0.667 0.451 2.615     192.280     300.000       6.739    0 
+    670000      134000.00      35.383     -34.838       0.545   2.41 0.286 0.600 0.355 2.051     321.012     300.000       6.963    0 
+    680000      136000.00      32.121     -26.859       5.262   3.20 0.071 0.750 0.136 1.532     291.420     300.000       7.799    0 
+    690000      138000.00      25.733     -35.468      -9.736   3.71 0.214 0.571 0.338 1.120     233.462     300.000       6.799    0 
+    700000      140000.00      24.933     -28.992      -4.059   3.79 0.214 0.700 0.309 2.110     226.209     300.000       7.914    0 
+    710000      142000.00      26.644     -18.738       7.906   7.85 0.214 0.400 0.155 1.862     241.731     300.000      10.611    0 
+    720000      144000.00      28.202     -16.162      12.040  10.51 0.071 0.750 0.182 1.317     255.859     300.000      12.489    0 
+    730000      146000.00      29.943      -8.462      21.481   5.59 0.214 0.727 0.310 2.487     271.661     300.000       7.220    0 
+    740000      148000.00      28.476     -22.423       6.053   4.96 0.143 0.714 0.383 1.286     258.346     300.000       7.999    0 
+    750000      150000.00      26.552     -15.176      11.376   4.99 0.143 0.833 0.390 1.850     240.897     300.000       7.260    0 
+    760000      152000.00      28.624     -23.966       4.657   4.58 0.286 0.667 0.333 1.444     259.688     300.000       7.698    0 
+    770000      154000.00      28.729     -22.360       6.369   6.19 0.143 0.750 0.188 0.858     260.647     300.000       9.330    0 
+    780000      156000.00      30.408     -18.929      11.479   8.11 0.143 0.714 0.279 2.054     275.875     300.000       9.223    0 
+    790000      158000.00      24.054      -8.293      15.761   7.19 0.071 0.000 0.182 1.792     218.231     300.000      10.818    0 
+    800000      160000.00      26.292     -31.981      -5.689   4.67 0.143 0.833 0.348 0.793     238.533     300.000       6.992    0 
+    810000      162000.00      30.064     -22.137       7.928   7.29 0.143 0.667 0.273 1.598     272.761     300.000       8.826    0 
+    820000      164000.00      24.797     -28.689      -3.893   5.35 0.143 0.818 0.430 1.205     224.969     300.000       7.634    0 
+    830000      166000.00      32.937     -24.182       8.755   5.94 0.071 0.857 0.461 2.146     298.823     300.000       7.946    0 
+    840000      168000.00      27.701     -22.657       5.044   5.21 0.143 0.750 0.284 2.700     251.316     300.000       7.246    0 
+    850000      170000.00      25.792     -28.867      -3.075   4.71 0.143 0.600 0.336 1.813     233.997     300.000       7.474    0 
+    860000      172000.00      32.384     -33.811      -1.427   4.78 0.286 0.692 0.266 1.351     293.803     300.000       7.267    0 
+    870000      174000.00      38.787     -28.527      10.259   5.81 0.286 0.600 0.227 0.852     351.892     300.000       6.860    0 
+    880000      176000.00      22.534     -12.973       9.561   4.12 0.214 0.500 0.242 2.101     204.438     300.000       8.456    0 
+    890000      178000.00      31.255     -23.876       7.379   5.51 0.143 0.667 0.189 2.064     283.557     300.000       7.685    0 
+    900000      180000.00      29.162     -19.778       9.385   5.80 0.214 0.571 0.195 1.358     264.575     300.000       8.490    0 
+    910000      182000.00      29.649     -25.985       3.664   6.56 0.071 0.875 0.284 1.641     268.987     300.000       7.576    0 
+    920000      184000.00      26.044     -23.740       2.304   4.67 0.071 0.909 0.405 2.077     236.284     300.000       7.087    0 
+    930000      186000.00      22.365     -24.100      -1.735   3.73 0.214 0.700 0.305 2.354     202.903     300.000       7.570    0 
+    940000      188000.00      32.086     -40.093      -8.008   4.90 0.214 0.667 0.242 1.914     291.098     300.000       7.535    0 
+    950000      190000.00      26.316     -11.027      15.288   5.08 0.143 0.600 0.491 2.292     238.750     300.000       8.203    0 
+    960000      192000.00      26.001     -21.498       4.503   4.67 0.071 0.667 0.439 1.555     235.891     300.000       8.010    0 
+    970000      194000.00      31.656     -27.338       4.319   4.09 0.357 0.545 0.236 2.591     287.202     300.000       7.562    0 
+    980000      196000.00      29.887     -27.328       2.560   7.43 0.214 0.727 0.219 1.500     271.155     300.000       7.668    0 
+    990000      198000.00      36.012     -28.152       7.860   4.74 0.286 0.667 0.356 2.301     326.719     300.000       7.240    0 
+   1000000      200000.00      33.561     -28.056       5.505   4.61 0.286 0.500 0.330 2.073     304.482     300.000       7.157    0 
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB001.stat b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB001.stat
index ab1b999..3141f49 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB001.stat
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB001.stat
@@ -1,101 +1,101 @@
          0           0.00      30.401      24.828      55.229  12.87 0.000   NaN   NaN 0.708     275.816     300.000      15.552    1 
-     10000        2000.00      27.396     -18.942       8.455   5.98 0.214 0.625 0.233 1.156     248.555     300.000       7.935    1 
-     20000        4000.00      31.360     -21.346      10.015   4.08 0.071 0.833 0.227 2.682     284.517     300.000       7.952    1 
-     30000        6000.00      29.695     -14.220      15.475   5.38 0.214 0.571 0.396 1.928     269.408     300.000       7.308    1 
-     40000        8000.00      24.851     -23.516       1.335   6.48 0.286 0.500 0.176 1.466     225.460     300.000       9.421    1 
-     50000       10000.00      32.528     -36.397      -3.869   3.04 0.429 0.538 0.374 1.954     295.107     300.000       6.963    1 
-     60000       12000.00      29.880     -34.406      -4.525   3.79 0.357 0.667 0.370 1.641     271.089     300.000       6.575    1 
-     70000       14000.00      34.244     -35.735      -1.491   3.86 0.286 0.667 0.473 0.899     310.677     300.000       6.487    1 
-     80000       16000.00      24.823     -40.158     -15.335   3.06 0.286 0.667 0.345 1.298     225.208     300.000       6.999    1 
-     90000       18000.00      27.142     -34.073      -6.930   5.22 0.143 0.800 0.359 1.137     246.249     300.000       7.409    1 
-    100000       20000.00      26.017     -23.002       3.014   5.02 0.214 0.667 0.162 1.786     236.037     300.000       8.146    1 
-    110000       22000.00      28.250     -21.514       6.737   3.65 0.143 0.600 0.336 1.359     256.303     300.000       7.486    1 
-    120000       24000.00      31.622     -23.258       8.363   7.07 0.143 0.778 0.338 1.847     286.890     300.000       7.516    1 
-    130000       26000.00      27.118     -32.408      -5.290   6.27 0.214 0.727 0.236 1.571     246.029     300.000       7.137    1 
-    140000       28000.00      25.769     -33.462      -7.693   5.40 0.214 0.800 0.248 1.628     233.785     300.000       7.482    1 
-    150000       30000.00      31.165     -23.675       7.489   3.37 0.286 0.556 0.308 2.484     282.743     300.000       7.910    1 
-    160000       32000.00      24.686     -41.136     -16.450   5.67 0.286 0.692 0.294 1.957     223.965     300.000       6.788    1 
-    170000       34000.00      32.495     -28.729       3.766   5.18 0.286 0.429 0.182 2.403     294.813     300.000       7.169    1 
-    180000       36000.00      25.494     -28.434      -2.940   5.45 0.071 0.833 0.212 2.339     231.295     300.000       8.493    1 
-    190000       38000.00      38.389     -22.314      16.075   4.78 0.214 0.625 0.227 0.971     348.282     300.000       7.371    1 
-    200000       40000.00      25.317     -21.391       3.926   5.89 0.286 0.600 0.386 1.593     229.690     300.000       7.317    1 
-    210000       42000.00      33.761     -34.411      -0.650   3.36 0.286 0.714 0.295 1.784     306.293     300.000       6.846    1 
-    220000       44000.00      25.722     -31.389      -5.667   3.59 0.214 0.750 0.314 1.951     233.360     300.000       6.780    1 
-    230000       46000.00      36.921     -13.162      23.759   7.40 0.071 0.750 0.250 1.788     334.967     300.000       8.846    1 
-    240000       48000.00      32.912     -28.550       4.361   5.21 0.286 0.667 0.360 2.608     298.591     300.000       6.933    1 
-    250000       50000.00      24.703     -13.294      11.409   5.99 0.143 0.600 0.227 1.889     224.121     300.000       8.492    1 
-    260000       52000.00      30.692     -20.269      10.423   5.46 0.214 0.750 0.519 1.377     278.451     300.000       7.169    1 
-    270000       54000.00      31.159     -34.369      -3.210   5.16 0.214 0.500 0.515 1.406     282.694     300.000       7.513    1 
-    280000       56000.00      25.283     -30.752      -5.469   5.74 0.143 0.750 0.210 1.834     229.383     300.000       7.514    1 
-    290000       58000.00      33.009     -28.752       4.257   6.81 0.071 0.889 0.273 1.774     299.478     300.000       7.092    1 
-    300000       60000.00      25.331     -23.117       2.214   7.88 0.143 0.600 0.164 1.647     229.813     300.000       9.307    1 
-    310000       62000.00      28.761     -24.588       4.174   5.91 0.286 0.500 0.182 1.526     260.938     300.000       8.054    1 
-    320000       64000.00      21.028     -23.040      -2.012   4.59 0.143 0.750 0.369 1.445     190.776     300.000       7.436    1 
-    330000       66000.00      30.149     -28.268       1.881   5.49 0.143 0.714 0.227 1.749     273.529     300.000       7.252    1 
-    340000       68000.00      30.525     -29.389       1.137   5.30 0.071 0.857 0.344 1.187     276.940     300.000       7.269    1 
-    350000       70000.00      32.157     -34.950      -2.793   5.02 0.071 0.909 0.388 1.375     291.746     300.000       6.723    1 
-    360000       72000.00      31.651     -30.458       1.193   5.08 0.357 0.375 0.222 2.053     287.158     300.000       7.567    1 
-    370000       74000.00      37.783     -23.140      14.643   5.66 0.143 0.714 0.247 1.468     342.784     300.000       7.994    1 
-    380000       76000.00      33.627     -29.702       3.924   6.49 0.143 0.667 0.189 2.436     305.079     300.000       8.185    1 
-    390000       78000.00      27.986     -23.354       4.632   4.41 0.214 0.571 0.195 2.299     253.902     300.000       8.146    1 
-    400000       80000.00      25.818     -20.453       5.365   4.27 0.143 0.833 0.254 1.732     234.232     300.000       7.303    1 
-    410000       82000.00      26.835     -28.747      -1.911   4.26 0.214 0.667 0.202 1.290     243.461     300.000       8.235    1 
-    420000       84000.00      30.998     -35.288      -4.290   4.71 0.286 0.500 0.233 1.304     281.226     300.000       7.646    1 
-    430000       86000.00      31.067     -29.564       1.503   4.84 0.357 0.545 0.417 2.558     281.855     300.000       7.220    1 
-    440000       88000.00      32.033     -24.265       7.768   4.53 0.214 0.700 0.259 3.029     290.623     300.000       7.548    1 
-    450000       90000.00      21.816     -36.564     -14.749   4.02 0.357 0.615 0.427 1.943     197.922     300.000       7.353    1 
-    460000       92000.00      34.488     -28.321       6.167   6.12 0.071 0.917 0.352 1.999     312.895     300.000       7.202    1 
-    470000       94000.00      28.892     -17.843      11.048   6.62 0.214 0.786 0.295 1.434     262.119     300.000       6.860    1 
-    480000       96000.00      26.159     -15.670      10.489   6.14 0.143 0.600 0.282 1.260     237.325     300.000       7.439    1 
-    490000       98000.00      24.040     -29.360      -5.320   6.11 0.286 0.500 0.199 1.498     218.102     300.000       8.527    1 
-    500000      100000.00      31.298     -20.934      10.364   4.28 0.071 0.833 0.576 2.023     283.953     300.000       7.663    1 
-    510000      102000.00      35.390     -16.572      18.818   4.71 0.214 0.700 0.423 1.962     321.075     300.000       7.435    1 
-    520000      104000.00      27.938     -22.455       5.483   5.87 0.143 0.667 0.220 1.271     253.465     300.000       8.501    1 
-    530000      106000.00      34.324     -12.004      22.320   9.02 0.000 1.000 0.227 3.298     311.408     300.000      12.670    1 
-    540000      108000.00      31.714     -11.570      20.144   6.26 0.000 1.000 0.227 1.719     287.723     300.000       9.570    1 
-    550000      110000.00      32.046     -13.257      18.789   5.81 0.071 0.833 0.227 0.815     290.741     300.000       7.547    1 
-    560000      112000.00      30.073     -10.464      19.609   8.87 0.071 0.000 0.182 1.665     272.840     300.000      12.656    1 
-    570000      114000.00      32.430     -29.625       2.805   6.24 0.214 0.786 0.406 2.233     294.220     300.000       6.644    1 
-    580000      116000.00      27.181     -29.051      -1.869   5.17 0.143 0.833 0.455 1.225     246.604     300.000       7.617    1 
-    590000      118000.00      27.951     -19.286       8.666   5.12 0.143 0.846 0.280 2.063     253.590     300.000       6.916    1 
-    600000      120000.00      30.491     -26.648       3.843   3.70 0.143 0.714 0.422 1.712     276.629     300.000       7.975    1 
-    610000      122000.00      26.883     -23.718       3.164   4.40 0.071 0.750 0.511 1.130     243.892     300.000       7.974    1 
-    620000      124000.00      31.338      -9.115      22.223   5.94 0.071 0.833 0.197 1.372     284.314     300.000       9.870    1 
-    630000      126000.00      25.060     -16.504       8.556   5.63 0.071 0.500 0.227 3.053     227.358     300.000      10.263    1 
-    640000      128000.00      33.092     -12.767      20.325   4.57 0.143 0.667 0.598 3.068     300.232     300.000       8.527    1 
-    650000      130000.00      34.378     -36.802      -2.424   4.82 0.214 0.571 0.312 1.564     311.897     300.000       7.409    1 
-    660000      132000.00      31.450     -34.191      -2.742   5.96 0.286 0.636 0.351 1.557     285.327     300.000       6.983    1 
-    670000      134000.00      37.740     -21.864      15.876   4.80 0.286 0.500 0.216 2.314     342.400     300.000       8.558    1 
-    680000      136000.00      26.131      -0.990      25.142   7.24 0.071 0.500 0.205 1.682     237.078     300.000      11.018    1 
-    690000      138000.00      25.645     -24.879       0.766   5.98 0.143 0.800 0.355 1.645     232.663     300.000       7.475    1 
-    700000      140000.00      37.137     -21.685      15.452   5.01 0.071 0.800 0.345 1.804     336.923     300.000       7.753    1 
-    710000      142000.00      27.539     -20.706       6.833   6.61 0.143 0.600 0.173 1.405     249.844     300.000      10.235    1 
-    720000      144000.00      34.942     -29.702       5.240   5.95 0.143 0.778 0.414 3.077     317.011     300.000       7.517    1 
-    730000      146000.00      32.758     -32.833      -0.075   4.46 0.286 0.429 0.195 2.440     297.199     300.000       7.906    1 
-    740000      148000.00      29.315     -20.208       9.108   5.40 0.143 0.800 0.255 3.451     265.965     300.000       7.268    1 
-    750000      150000.00      27.979     -42.021     -14.042   5.17 0.286 0.667 0.269 1.620     253.836     300.000       6.738    1 
-    760000      152000.00      34.569     -45.865     -11.297   5.73 0.214 0.769 0.290 1.384     313.626     300.000       6.967    1 
-    770000      154000.00      30.596     -28.911       1.685   7.16 0.214 0.750 0.288 2.113     277.586     300.000       7.139    1 
-    780000      156000.00      33.410     -25.860       7.551   4.89 0.286 0.500 0.278 2.349     303.114     300.000       7.065    1 
-    790000      158000.00      24.517     -29.364      -4.847   6.98 0.286 0.667 0.280 1.629     222.433     300.000       6.990    1 
-    800000      160000.00      41.912     -28.667      13.245   6.82 0.143 0.800 0.205 2.504     380.247     300.000       7.708    1 
-    810000      162000.00      30.800     -32.105      -1.305   3.03 0.286 0.500 0.386 1.231     279.433     300.000       7.579    1 
-    820000      164000.00      30.596     -31.576      -0.980   2.77 0.286 0.429 0.461 1.282     277.585     300.000       7.303    1 
-    830000      166000.00      27.334     -29.133      -1.799   7.26 0.214 0.667 0.177 1.795     247.986     300.000       8.720    1 
-    840000      168000.00      30.358     -23.552       6.806   2.44 0.429 0.571 0.312 1.834     275.424     300.000       6.758    1 
-    850000      170000.00      34.801     -36.311      -1.510   3.56 0.143 0.750 0.403 1.639     315.731     300.000       6.959    1 
-    860000      172000.00      22.922     -35.188     -12.267   3.34 0.214 0.667 0.379 2.671     207.957     300.000       7.220    1 
-    870000      174000.00      19.001     -31.828     -12.828   3.55 0.143 0.667 0.386 2.399     172.384     300.000       7.126    1 
-    880000      176000.00      30.347     -27.975       2.372   3.53 0.429 0.500 0.318 2.871     275.321     300.000       6.844    1 
-    890000      178000.00      29.185     -33.347      -4.162   6.39 0.214 0.727 0.256 0.747     264.783     300.000       7.504    1 
-    900000      180000.00      25.592     -25.856      -0.265   5.00 0.286 0.636 0.289 1.708     232.182     300.000       7.175    1 
-    910000      182000.00      31.982     -20.999      10.983   4.74 0.143 0.714 0.175 1.655     290.154     300.000       8.194    1 
-    920000      184000.00      32.407     -28.456       3.951   4.26 0.214 0.625 0.261 1.550     294.013     300.000       7.845    1 
-    930000      186000.00      25.644     -21.057       4.586   4.32 0.286 0.429 0.227 2.003     232.653     300.000       7.655    1 
-    940000      188000.00      28.107     -20.273       7.834   6.31 0.071 0.833 0.500 1.492     255.003     300.000       8.742    1 
-    950000      190000.00      23.557     -33.804     -10.247   5.00 0.214 0.625 0.295 0.715     213.726     300.000       7.590    1 
-    960000      192000.00      27.147     -31.688      -4.541   5.51 0.214 0.625 0.540 1.515     246.291     300.000       7.205    1 
-    970000      194000.00      24.554     -35.064     -10.510   6.10 0.214 0.769 0.434 1.185     222.767     300.000       6.889    1 
-    980000      196000.00      31.382     -40.767      -9.385   4.04 0.143 0.750 0.506 0.637     284.714     300.000       7.866    1 
-    990000      198000.00      36.910     -20.058      16.852   4.94 0.286 0.556 0.369 1.653     334.869     300.000       8.496    1 
-   1000000      200000.00      26.627     -32.786      -6.160   4.80 0.214 0.769 0.329 1.524     241.571     300.000       7.095    1 
+     10000        2000.00      30.964     -38.745      -7.781   4.60 0.214 0.700 0.277 1.680     280.924     300.000       7.344    1 
+     20000        4000.00      33.135     -35.976      -2.841   5.00 0.286 0.733 0.336 0.759     300.621     300.000       6.645    1 
+     30000        6000.00      30.119     -21.413       8.706   4.66 0.143 0.778 0.379 1.372     273.254     300.000       7.203    1 
+     40000        8000.00      23.431     -24.683      -1.251   5.56 0.214 0.500 0.295 1.557     212.581     300.000       7.883    1 
+     50000       10000.00      31.470     -27.345       4.125   5.57 0.143 0.800 0.336 1.251     285.513     300.000       7.176    1 
+     60000       12000.00      31.259     -31.679      -0.420   5.64 0.143 0.875 0.449 1.325     283.594     300.000       6.610    1 
+     70000       14000.00      28.390     -29.117      -0.727   4.30 0.286 0.636 0.343 1.958     257.567     300.000       7.261    1 
+     80000       16000.00      23.408     -23.704      -0.296   4.75 0.143 0.778 0.318 2.032     212.365     300.000       8.584    1 
+     90000       18000.00      22.549     -26.091      -3.543   4.92 0.143 0.667 0.258 1.876     204.573     300.000       7.423    1 
+    100000       20000.00      28.535     -25.936       2.599   6.08 0.286 0.333 0.174 1.863     258.888     300.000       9.744    1 
+    110000       22000.00      30.948     -24.385       6.562   2.80 0.286 0.600 0.227 1.999     280.773     300.000       7.886    1 
+    120000       24000.00      33.498     -27.537       5.961   4.44 0.286 0.667 0.307 1.451     303.910     300.000       6.556    1 
+    130000       26000.00      27.368     -20.430       6.938   7.54 0.143 0.500 0.148 1.311     248.295     300.000       8.539    1 
+    140000       28000.00      31.615     -24.592       7.023   4.95 0.143 0.875 0.449 1.984     286.824     300.000       6.848    1 
+    150000       30000.00      30.158     -30.929      -0.771   3.15 0.571 0.385 0.325 1.711     273.607     300.000       6.695    1 
+    160000       32000.00      24.906     -35.231     -10.325   4.01 0.143 0.714 0.279 0.997     225.962     300.000       7.064    1 
+    170000       34000.00      33.307     -30.222       3.085   3.89 0.143 0.867 0.306 1.018     302.180     300.000       7.229    1 
+    180000       36000.00      23.753     -33.043      -9.290   8.72 0.214 0.400 0.155 1.622     215.499     300.000      12.463    1 
+    190000       38000.00      29.285     -37.460      -8.176   3.59 0.286 0.750 0.443 1.959     265.685     300.000       6.482    1 
+    200000       40000.00      26.828     -30.457      -3.629   2.72 0.286 0.429 0.305 2.735     243.400     300.000       7.404    1 
+    210000       42000.00      37.009     -31.291       5.718   2.92 0.143 0.750 0.256 1.879     335.766     300.000       7.212    1 
+    220000       44000.00      24.069     -33.453      -9.384   3.02 0.286 0.636 0.326 1.378     218.369     300.000       7.511    1 
+    230000       46000.00      33.788     -30.482       3.306   5.25 0.214 0.700 0.309 1.539     306.540     300.000       6.847    1 
+    240000       48000.00      31.793     -30.565       1.228   6.37 0.214 0.667 0.273 1.447     288.447     300.000       7.070    1 
+    250000       50000.00      28.609     -29.703      -1.094   5.13 0.143 0.778 0.404 1.559     259.552     300.000       7.628    1 
+    260000       52000.00      32.084     -34.635      -2.551   5.85 0.143 0.714 0.364 1.480     291.080     300.000       7.001    1 
+    270000       54000.00      25.311     -31.969      -6.658   6.30 0.143 0.714 0.247 1.400     229.634     300.000       7.349    1 
+    280000       56000.00      27.982     -21.449       6.533   6.82 0.000 1.000 0.261 2.117     253.869     300.000       8.508    1 
+    290000       58000.00      31.012     -16.156      14.856   2.91 0.214 0.571 0.266 2.181     281.359     300.000       7.698    1 
+    300000       60000.00      28.685     -36.486      -7.801   3.97 0.214 0.700 0.391 2.297     260.244     300.000       7.583    1 
+    310000       62000.00      28.784     -20.007       8.777   5.46 0.286 0.692 0.339 2.128     261.139     300.000       7.008    1 
+    320000       64000.00      23.425     -24.908      -1.483   4.37 0.214 0.700 0.341 1.713     212.527     300.000       6.854    1 
+    330000       66000.00      28.128     -23.315       4.813   5.01 0.357 0.167 0.447 1.625     255.191     300.000       7.259    1 
+    340000       68000.00      32.132     -23.785       8.347   5.89 0.071 0.833 0.235 1.254     291.520     300.000       7.330    1 
+    350000       70000.00      28.235     -17.026      11.209   5.46 0.071 0.875 0.318 1.237     256.161     300.000       7.485    1 
+    360000       72000.00      29.806     -30.020      -0.214   5.17 0.143 0.750 0.324 3.382     270.413     300.000       7.078    1 
+    370000       74000.00      34.373     -34.763      -0.390   4.51 0.214 0.700 0.395 0.791     311.850     300.000       7.327    1 
+    380000       76000.00      33.192     -30.475       2.717   4.81 0.143 0.667 0.182 0.848     301.138     300.000       8.173    1 
+    390000       78000.00      34.995     -34.245       0.750   4.81 0.214 0.667 0.247 1.864     317.494     300.000       7.676    1 
+    400000       80000.00      32.347     -32.143       0.204   5.44 0.214 0.769 0.297 1.580     293.472     300.000       7.242    1 
+    410000       82000.00      28.015     -19.117       8.898   4.82 0.214 0.250 0.148 1.246     254.166     300.000       8.421    1 
+    420000       84000.00      31.874     -26.190       5.683   6.18 0.214 0.667 0.338 1.411     289.174     300.000       6.655    1 
+    430000       86000.00      29.605     -30.790      -1.185   4.44 0.214 0.625 0.176 1.563     268.591     300.000       7.621    1 
+    440000       88000.00      35.181     -27.721       7.459   5.98 0.214 0.667 0.222 1.718     319.176     300.000       7.602    1 
+    450000       90000.00      25.786     -17.539       8.248   5.72 0.000 1.000 0.416 0.723     233.947     300.000       7.299    1 
+    460000       92000.00      32.959     -22.374      10.585   6.53 0.143 0.818 0.347 1.252     299.019     300.000       6.742    1 
+    470000       94000.00      29.617     -31.409      -1.792   4.29 0.500 0.500 0.351 1.736     268.698     300.000       6.851    1 
+    480000       96000.00      25.656     -22.118       3.539   5.56 0.143 0.778 0.333 1.498     232.767     300.000       6.870    1 
+    490000       98000.00      29.233     -38.638      -9.406   6.31 0.143 0.800 0.336 1.531     265.214     300.000       6.620    1 
+    500000      100000.00      30.916     -29.654       1.262   5.00 0.071 0.889 0.338 2.053     280.490     300.000       6.902    1 
+    510000      102000.00      36.879     -28.125       8.754   7.37 0.071 0.917 0.261 1.267     334.587     300.000       7.303    1 
+    520000      104000.00      27.897     -37.653      -9.756   4.62 0.214 0.625 0.330 1.029     253.099     300.000       7.077    1 
+    530000      106000.00      33.274     -32.968       0.306   6.18 0.143 0.750 0.341 1.613     301.878     300.000       7.499    1 
+    540000      108000.00      32.942     -17.994      14.948   4.81 0.143 0.800 0.286 2.318     298.870     300.000       6.941    1 
+    550000      110000.00      31.771     -17.262      14.510   4.41 0.286 0.556 0.207 1.038     288.245     300.000       9.006    1 
+    560000      112000.00      27.206     -24.371       2.834   4.41 0.143 0.600 0.336 2.797     246.824     300.000       8.204    1 
+    570000      114000.00      30.237     -24.120       6.117   5.99 0.214 0.800 0.382 2.083     274.326     300.000       6.912    1 
+    580000      116000.00      28.742     -35.054      -6.312   2.36 0.214 0.625 0.250 0.431     260.760     300.000       6.775    1 
+    590000      118000.00      32.400     -32.246       0.154   4.91 0.214 0.500 0.197 2.060     293.953     300.000       8.867    1 
+    600000      120000.00      31.528     -28.355       3.173   5.69 0.000 1.000 0.227 1.065     286.041     300.000       8.362    1 
+    610000      122000.00      23.836     -28.593      -4.756   3.73 0.143 0.818 0.347 1.860     216.257     300.000       7.467    1 
+    620000      124000.00      27.013     -27.737      -0.724   3.93 0.214 0.769 0.294 1.718     245.075     300.000       6.422    1 
+    630000      126000.00      25.026     -23.581       1.445   5.93 0.143 0.778 0.343 0.660     227.049     300.000       8.010    1 
+    640000      128000.00      29.588     -19.578      10.009   5.53 0.214 0.500 0.152 1.720     268.434     300.000       8.763    1 
+    650000      130000.00      30.539     -25.452       5.087   6.46 0.214 0.700 0.323 1.757     277.069     300.000       8.792    1 
+    660000      132000.00      37.583     -22.639      14.944   4.80 0.286 0.556 0.232 0.749     340.975     300.000       8.808    1 
+    670000      134000.00      30.970     -40.652      -9.682   4.06 0.286 0.692 0.329 2.016     280.976     300.000       6.638    1 
+    680000      136000.00      31.205     -25.107       6.098   3.35 0.143 0.750 0.307 2.986     283.106     300.000       7.190    1 
+    690000      138000.00      30.748     -25.361       5.387   6.25 0.286 0.500 0.244 1.815     278.963     300.000       9.638    1 
+    700000      140000.00      29.562      -8.057      21.505   9.09 0.143 0.667 0.167 3.789     268.203     300.000      12.085    1 
+    710000      142000.00      20.846     -23.553      -2.707   3.63 0.286 0.556 0.323 1.526     189.128     300.000       7.046    1 
+    720000      144000.00      34.578     -25.995       8.583   4.32 0.286 0.500 0.358 3.169     313.713     300.000       7.837    1 
+    730000      146000.00      31.628     -23.649       7.978   5.02 0.214 0.667 0.247 3.173     286.942     300.000       7.991    1 
+    740000      148000.00      31.017     -10.048      20.969   6.63 0.071 0.833 0.220 2.057     281.399     300.000       8.863    1 
+    750000      150000.00      28.058     -42.757     -14.699   6.12 0.286 0.636 0.331 1.493     254.554     300.000       6.634    1 
+    760000      152000.00      33.105     -30.982       2.124   5.83 0.143 0.667 0.295 1.252     300.349     300.000       7.170    1 
+    770000      154000.00      30.231     -22.022       8.209   5.02 0.214 0.571 0.221 2.543     274.271     300.000       7.732    1 
+    780000      156000.00      39.482     -23.331      16.151   5.52 0.143 0.714 0.240 2.347     358.205     300.000       7.533    1 
+    790000      158000.00      23.586     -27.712      -4.126   6.15 0.286 0.556 0.253 1.454     213.980     300.000       7.547    1 
+    800000      160000.00      36.856     -21.347      15.509   4.24 0.214 0.700 0.441 1.624     334.375     300.000       7.470    1 
+    810000      162000.00      32.873     -26.451       6.422   5.94 0.143 0.750 0.284 1.107     298.239     300.000       7.377    1 
+    820000      164000.00      28.847     -36.013      -7.166   4.64 0.357 0.615 0.318 2.109     261.717     300.000       6.449    1 
+    830000      166000.00      30.371     -30.919      -0.548   3.94 0.286 0.600 0.445 1.805     275.542     300.000       7.467    1 
+    840000      168000.00      31.166     -38.686      -7.520   3.07 0.500 0.562 0.307 1.710     282.752     300.000       6.704    1 
+    850000      170000.00      35.339     -34.782       0.558   3.30 0.214 0.727 0.388 1.491     320.617     300.000       7.007    1 
+    860000      172000.00      25.875     -39.193     -13.318   5.16 0.357 0.545 0.298 2.199     234.748     300.000       6.804    1 
+    870000      174000.00      22.129     -19.201       2.928   5.62 0.286 0.500 0.227 0.887     200.768     300.000       7.766    1 
+    880000      176000.00      34.163     -25.850       8.313   3.44 0.071 0.917 0.333 2.152     309.942     300.000       7.024    1 
+    890000      178000.00      35.198     -36.082      -0.884   4.14 0.286 0.556 0.298 0.912     319.335     300.000       7.090    1 
+    900000      180000.00      28.529     -36.355      -7.825   6.13 0.214 0.769 0.364 1.450     258.831     300.000       6.879    1 
+    910000      182000.00      31.682     -36.707      -5.025   5.13 0.286 0.636 0.347 1.332     287.433     300.000       6.700    1 
+    920000      184000.00      32.609     -20.299      12.309   4.86 0.143 0.833 0.375 3.294     295.843     300.000       7.157    1 
+    930000      186000.00      29.028     -16.452      12.576   6.37 0.000 1.000 0.197 1.998     263.358     300.000       8.211    1 
+    940000      188000.00      36.357     -24.773      11.584   5.61 0.143 0.667 0.167 0.917     329.847     300.000       8.964    1 
+    950000      190000.00      21.717     -18.013       3.704   2.76 0.214 0.500 0.242 1.559     197.029     300.000       8.232    1 
+    960000      192000.00      25.270     -20.550       4.720   5.36 0.214 0.700 0.332 1.508     229.260     300.000       7.201    1 
+    970000      194000.00      25.001     -27.991      -2.990   4.63 0.214 0.250 0.182 0.659     226.823     300.000       7.614    1 
+    980000      196000.00      29.143     -34.925      -5.783   5.59 0.214 0.700 0.327 1.563     264.397     300.000       7.250    1 
+    990000      198000.00      34.271     -26.768       7.503   4.86 0.214 0.400 0.282 2.146     310.923     300.000       7.728    1 
+   1000000      200000.00      25.611     -31.744      -6.133   5.20 0.214 0.800 0.345 1.654     232.353     300.000       6.977    1 
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB002.stat b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB002.stat
index 6548f87..d9dbdf1 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB002.stat
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB002.stat
@@ -1,101 +1,101 @@
          0           0.00      33.444      24.828      58.272  12.87 0.000   NaN   NaN 0.708     303.422     300.000      15.552    2 
-     10000        2000.00      30.507      -9.446      21.060   6.15 0.000 1.000 0.545 1.865     276.771     300.000       9.207    2 
-     20000        4000.00      31.895     -19.382      12.513   5.63 0.214 0.700 0.464 2.003     289.364     300.000       7.086    2 
-     30000        6000.00      27.535     -24.978       2.557   6.01 0.143 0.800 0.323 2.419     249.814     300.000       7.166    2 
-     40000        8000.00      25.060     -27.268      -2.207   3.87 0.429 0.571 0.357 1.164     227.361     300.000       7.070    2 
-     50000       10000.00      28.087     -19.378       8.709   3.70 0.286 0.636 0.376 2.842     254.820     300.000       7.795    2 
-     60000       12000.00      27.474     -24.034       3.440   3.45 0.214 0.400 0.355 1.346     249.261     300.000       7.682    2 
-     70000       14000.00      23.094     -43.775     -20.681   4.78 0.143 0.833 0.367 1.109     209.523     300.000       6.638    2 
-     80000       16000.00      35.011     -19.082      15.930   6.98 0.214 0.250 0.159 2.197     317.640     300.000      10.775    2 
-     90000       18000.00      25.301     -27.105      -1.804   3.98 0.214 0.500 0.348 1.064     229.540     300.000       7.669    2 
-    100000       20000.00      29.585     -28.878       0.706   4.79 0.214 0.667 0.338 1.131     268.410     300.000       7.472    2 
-    110000       22000.00      30.789     -30.743       0.046   4.72 0.214 0.786 0.295 2.473     279.331     300.000       6.925    2 
-    120000       24000.00      29.696     -33.960      -4.264   6.12 0.214 0.727 0.339 1.974     269.421     300.000       7.025    2 
-    130000       26000.00      29.619     -22.262       7.356   5.94 0.214 0.571 0.188 2.089     268.717     300.000       7.666    2 
-    140000       28000.00      24.504     -31.410      -6.906   4.51 0.143 0.800 0.355 1.418     222.314     300.000       7.245    2 
-    150000       30000.00      26.161     -23.982       2.178   6.37 0.214 0.250 0.170 1.895     237.345     300.000       8.549    2 
-    160000       32000.00      30.941     -25.000       5.940   4.85 0.143 0.714 0.253 1.148     280.710     300.000       8.468    2 
-    170000       34000.00      28.806     -28.011       0.795   5.11 0.214 0.750 0.277 1.113     261.341     300.000       7.511    2 
-    180000       36000.00      29.674     -24.268       5.407   5.78 0.214 0.625 0.233 2.240     269.220     300.000       7.833    2 
-    190000       38000.00      24.832     -32.142      -7.310   6.39 0.143 0.750 0.318 1.235     225.293     300.000       7.219    2 
-    200000       40000.00      30.228     -29.064       1.164   5.87 0.214 0.625 0.261 1.903     274.247     300.000       7.318    2 
-    210000       42000.00      39.986     -30.942       9.044   4.71 0.143 0.778 0.303 2.144     362.775     300.000       7.116    2 
-    220000       44000.00      31.796     -41.783      -9.987   5.49 0.214 0.727 0.409 1.410     288.469     300.000       6.810    2 
-    230000       46000.00      25.526     -34.708      -9.182   6.21 0.143 0.778 0.217 1.770     231.588     300.000       7.623    2 
-    240000       48000.00      27.982     -25.060       2.922   5.21 0.214 0.667 0.278 1.426     253.868     300.000       6.738    2 
-    250000       50000.00      26.428     -36.507     -10.079   4.14 0.286 0.692 0.294 2.326     239.767     300.000       7.146    2 
-    260000       52000.00      30.748     -29.208       1.539   3.67 0.286 0.500 0.176 2.176     278.957     300.000       7.543    2 
-    270000       54000.00      30.100     -26.570       3.529   4.79 0.429 0.333 0.293 1.863     273.081     300.000       7.017    2 
-    280000       56000.00      23.633     -26.650      -3.017   4.39 0.143 0.600 0.300 1.706     214.407     300.000       8.160    2 
-    290000       58000.00      28.454     -29.255      -0.801   4.36 0.429 0.400 0.327 1.489     258.152     300.000       7.881    2 
-    300000       60000.00      21.552     -20.263       1.289   3.80 0.357 0.500 0.382 1.462     195.533     300.000       8.104    2 
-    310000       62000.00      30.273     -21.318       8.955   8.11 0.143 0.333 0.152 1.862     274.651     300.000      11.552    2 
-    320000       64000.00      31.362     -25.765       5.596   6.48 0.143 0.714 0.162 0.885     284.530     300.000       9.095    2 
-    330000       66000.00      21.235     -43.623     -22.388   4.83 0.286 0.636 0.202 2.052     192.652     300.000       7.665    2 
-    340000       68000.00      28.022     -24.562       3.460   5.29 0.143 0.667 0.182 3.469     254.229     300.000       8.136    2 
-    350000       70000.00      28.168     -26.853       1.315   4.87 0.214 0.571 0.279 1.291     255.555     300.000       7.264    2 
-    360000       72000.00      34.159     -31.185       2.974   5.58 0.143 0.800 0.327 1.952     309.911     300.000       7.271    2 
-    370000       74000.00      34.642     -31.894       2.749   5.61 0.286 0.600 0.245 2.155     314.292     300.000       7.085    2 
-    380000       76000.00      28.700     -28.123       0.578   5.07 0.357 0.667 0.273 1.743     260.383     300.000       6.735    2 
-    390000       78000.00      30.105     -31.933      -1.828   5.57 0.214 0.700 0.345 2.354     273.130     300.000       6.962    2 
-    400000       80000.00      31.913     -23.377       8.537   3.79 0.286 0.429 0.162 1.789     289.535     300.000       8.077    2 
-    410000       82000.00      31.621     -24.331       7.290   7.41 0.214 0.500 0.167 1.965     286.879     300.000       8.777    2 
-    420000       84000.00      33.712     -35.802      -2.090   3.67 0.214 0.625 0.233 1.284     305.851     300.000       7.780    2 
-    430000       86000.00      34.645     -31.619       3.026   3.40 0.286 0.333 0.379 1.605     314.316     300.000       7.480    2 
-    440000       88000.00      27.574     -36.391      -8.817   2.28 0.571 0.385 0.262 3.623     250.161     300.000       6.812    2 
-    450000       90000.00      31.014     -26.360       4.653   3.59 0.286 0.667 0.307 1.645     281.371     300.000       7.456    2 
-    460000       92000.00      34.230     -37.487      -3.257   4.84 0.143 0.833 0.360 0.883     310.551     300.000       6.542    2 
-    470000       94000.00      34.334     -28.950       5.384   3.35 0.500 0.462 0.304 2.138     311.494     300.000       7.412    2 
-    480000       96000.00      23.977     -24.120      -0.144   3.26 0.214 0.667 0.288 1.316     217.528     300.000       7.295    2 
-    490000       98000.00      30.523     -39.233      -8.710   3.51 0.286 0.750 0.352 1.568     276.921     300.000       6.467    2 
-    500000      100000.00      35.268     -29.410       5.858   4.14 0.214 0.625 0.210 1.474     319.968     300.000       8.859    2 
-    510000      102000.00      27.930     -15.399      12.531   6.10 0.357 0.286 0.149 1.357     253.396     300.000       8.821    2 
-    520000      104000.00      27.957     -25.855       2.102   5.94 0.214 0.727 0.298 2.556     253.642     300.000       7.220    2 
-    530000      106000.00      28.555     -22.576       5.978   5.19 0.214 0.625 0.216 2.273     259.065     300.000       7.584    2 
-    540000      108000.00      26.003     -18.279       7.724   5.69 0.214 0.571 0.227 2.369     235.916     300.000       7.855    2 
-    550000      110000.00      32.464     -41.115      -8.651   5.32 0.143 0.833 0.364 1.524     294.534     300.000       6.901    2 
-    560000      112000.00      28.130     -19.539       8.591   5.27 0.071 0.833 0.174 1.744     255.207     300.000       8.033    2 
-    570000      114000.00      29.590     -35.264      -5.674   4.42 0.214 0.625 0.188 1.642     268.456     300.000       8.490    2 
-    580000      116000.00      25.586     -31.642      -6.055   3.00 0.214 0.667 0.217 1.481     232.131     300.000       7.053    2 
-    590000      118000.00      29.265     -30.504      -1.238   3.26 0.429 0.333 0.227 1.205     265.510     300.000       7.812    2 
-    600000      120000.00      36.315     -35.894       0.422   2.30 0.357 0.500 0.214 1.711     329.473     300.000       7.197    2 
-    610000      122000.00      23.574     -32.633      -9.059   3.71 0.143 0.714 0.253 1.673     213.880     300.000       7.411    2 
-    620000      124000.00      28.507     -32.903      -4.396   4.24 0.357 0.615 0.339 1.839     258.627     300.000       7.123    2 
-    630000      126000.00      30.276     -33.890      -3.614   4.39 0.214 0.727 0.364 2.578     274.681     300.000       6.809    2 
-    640000      128000.00      30.301     -25.898       4.403   4.65 0.286 0.556 0.540 1.492     274.906     300.000       7.116    2 
-    650000      130000.00      29.371     -31.514      -2.143   5.87 0.286 0.692 0.360 1.971     266.471     300.000       7.594    2 
-    660000      132000.00      34.817     -24.385      10.431   3.41 0.286 0.692 0.357 1.276     315.875     300.000       7.711    2 
-    670000      134000.00      28.379     -15.764      12.614   5.69 0.071 0.889 0.419 1.827     257.465     300.000       7.252    2 
-    680000      136000.00      32.771     -20.016      12.755   6.75 0.000 1.000 0.261 1.895     297.318     300.000       9.526    2 
-    690000      138000.00      23.949     -14.223       9.726   7.54 0.071 0.833 0.265 0.654     217.274     300.000       8.543    2 
-    700000      140000.00      31.395      -0.081      31.314   5.79 0.214 0.500 0.288 3.294     284.832     300.000       7.715    2 
-    710000      142000.00      32.179     -19.800      12.379   5.31 0.071 0.667 0.197 1.977     291.944     300.000       8.808    2 
-    720000      144000.00      21.201     -30.489      -9.288   3.30 0.214 0.500 0.341 3.890     192.349     300.000       7.612    2 
-    730000      146000.00      29.518     -26.066       3.452   4.82 0.357 0.667 0.415 1.546     267.806     300.000       7.031    2 
-    740000      148000.00      26.053     -35.749      -9.696   3.73 0.429 0.600 0.406 2.244     236.366     300.000       6.622    2 
-    750000      150000.00      29.485     -33.149      -3.664   2.81 0.429 0.500 0.314 1.057     267.505     300.000       7.012    2 
-    760000      152000.00      22.778     -26.230      -3.452   2.97 0.214 0.500 0.364 1.952     206.652     300.000       7.330    2 
-    770000      154000.00      23.071     -42.599     -19.528   3.78 0.357 0.643 0.308 1.203     209.314     300.000       6.687    2 
-    780000      156000.00      28.097     -34.569      -6.472   4.90 0.357 0.615 0.234 1.013     254.908     300.000       7.186    2 
-    790000      158000.00      24.850     -22.812       2.038   5.52 0.143 0.778 0.273 1.109     225.453     300.000       8.013    2 
-    800000      160000.00      30.181     -18.683      11.498   4.83 0.143 0.500 0.432 2.353     273.822     300.000       8.174    2 
-    810000      162000.00      28.115     -27.712       0.403   4.08 0.286 0.556 0.288 2.517     255.075     300.000       8.199    2 
-    820000      164000.00      32.507     -31.509       0.998   5.61 0.286 0.600 0.277 1.871     294.919     300.000       7.374    2 
-    830000      166000.00      29.529     -25.137       4.393   3.24 0.429 0.400 0.182 2.335     267.906     300.000       7.700    2 
-    840000      168000.00      33.497     -32.096       1.401   7.25 0.071 0.875 0.193 1.400     303.906     300.000       7.876    2 
-    850000      170000.00      33.335     -41.536      -8.201   5.65 0.143 0.750 0.199 1.473     302.431     300.000       7.750    2 
-    860000      172000.00      29.821     -39.505      -9.685   6.04 0.214 0.625 0.210 1.655     270.550     300.000       7.688    2 
-    870000      174000.00      24.755     -45.826     -21.071   5.86 0.357 0.643 0.286 1.902     224.589     300.000       6.651    2 
-    880000      176000.00      27.414     -42.773     -15.360   6.33 0.286 0.636 0.236 2.002     248.710     300.000       7.564    2 
-    890000      178000.00      26.256     -32.026      -5.770   4.51 0.071 0.800 0.264 1.110     238.210     300.000       8.249    2 
-    900000      180000.00      25.666     -25.241       0.425   3.45 0.286 0.556 0.354 1.768     232.855     300.000       6.963    2 
-    910000      182000.00      33.162     -21.716      11.446   3.91 0.357 0.500 0.355 2.339     300.862     300.000       6.688    2 
-    920000      184000.00      23.554     -27.514      -3.960   3.93 0.143 0.818 0.293 1.171     213.696     300.000       6.605    2 
-    930000      186000.00      29.853     -17.118      12.735   3.97 0.214 0.571 0.338 1.561     270.842     300.000       7.210    2 
-    940000      188000.00      34.387     -25.312       9.075   3.19 0.429 0.571 0.266 2.332     311.979     300.000       6.655    2 
-    950000      190000.00      28.008     -33.422      -5.414   3.43 0.429 0.333 0.192 0.935     254.105     300.000       7.648    2 
-    960000      192000.00      27.091     -32.794      -5.703   4.11 0.143 0.750 0.261 0.991     245.786     300.000       8.437    2 
-    970000      194000.00      28.510     -30.392      -1.882   2.76 0.357 0.615 0.304 1.814     258.659     300.000       6.734    2 
-    980000      196000.00      30.507     -29.329       1.178   2.76 0.357 0.444 0.293 2.749     276.775     300.000       6.796    2 
-    990000      198000.00      27.210     -42.222     -15.012   3.11 0.357 0.615 0.311 2.233     246.866     300.000       6.551    2 
-   1000000      200000.00      34.440     -37.021      -2.581   2.57 0.571 0.333 0.269 1.802     312.461     300.000       6.754    2 
+     10000        2000.00      23.901     -27.366      -3.465   3.59 0.357 0.545 0.442 1.684     216.844     300.000       7.192    2 
+     20000        4000.00      39.785     -24.205      15.580   3.43 0.286 0.600 0.300 1.487     360.947     300.000       7.017    2 
+     30000        6000.00      31.044     -34.729      -3.685   3.72 0.500 0.500 0.386 1.433     281.649     300.000       6.655    2 
+     40000        8000.00      30.641     -26.325       4.316   6.12 0.214 0.400 0.173 1.083     277.987     300.000       9.593    2 
+     50000       10000.00      33.341     -17.916      15.425   5.22 0.143 0.750 0.239 1.582     302.488     300.000       7.756    2 
+     60000       12000.00      33.291     -22.560      10.731   3.26 0.143 0.778 0.288 2.449     302.032     300.000       7.166    2 
+     70000       14000.00      21.791     -27.593      -5.803   5.05 0.357 0.444 0.374 1.334     197.696     300.000       8.060    2 
+     80000       16000.00      31.262     -35.131      -3.869   5.85 0.286 0.667 0.265 1.372     283.625     300.000       7.340    2 
+     90000       18000.00      24.768     -40.181     -15.413   5.75 0.214 0.750 0.375 0.827     224.705     300.000       7.002    2 
+    100000       20000.00      30.713     -29.131       1.582   5.07 0.143 0.800 0.405 0.995     278.640     300.000       6.909    2 
+    110000       22000.00      30.872     -31.455      -0.583   3.85 0.143 0.778 0.227 2.689     280.086     300.000       7.059    2 
+    120000       24000.00      31.019     -28.497       2.523   5.43 0.143 0.750 0.347 1.741     281.424     300.000       7.162    2 
+    130000       26000.00      31.692     -33.540      -1.849   5.49 0.214 0.769 0.273 1.268     287.523     300.000       6.816    2 
+    140000       28000.00      31.088     -24.373       6.715   5.55 0.214 0.500 0.205 2.871     282.043     300.000       7.224    2 
+    150000       30000.00      28.675     -21.094       7.581   6.97 0.143 0.750 0.330 2.093     260.152     300.000       8.254    2 
+    160000       32000.00      30.258     -19.021      11.237   7.10 0.000 1.000 0.218 0.863     274.512     300.000       7.806    2 
+    170000       34000.00      24.924     -21.565       3.359   5.32 0.143 0.667 0.333 2.009     226.126     300.000       8.006    2 
+    180000       36000.00      30.513     -15.922      14.590   4.12 0.143 0.800 0.405 1.860     276.827     300.000       7.046    2 
+    190000       38000.00      22.289     -39.364     -17.075   3.55 0.357 0.615 0.385 1.342     202.214     300.000       6.378    2 
+    200000       40000.00      29.353     -22.109       7.244   5.46 0.214 0.727 0.252 1.855     266.307     300.000       7.534    2 
+    210000       42000.00      39.085     -24.044      15.041   6.01 0.143 0.600 0.264 2.808     354.600     300.000       7.216    2 
+    220000       44000.00      31.141     -24.165       6.977   3.88 0.214 0.500 0.258 2.990     282.531     300.000       7.525    2 
+    230000       46000.00      27.076     -33.329      -6.254   6.91 0.214 0.571 0.201 2.233     245.646     300.000       7.698    2 
+    240000       48000.00      28.644     -34.656      -6.012   3.82 0.286 0.714 0.256 1.882     259.876     300.000       7.429    2 
+    250000       50000.00      28.034     -34.207      -6.173   5.43 0.071 0.857 0.201 1.228     254.335     300.000       6.942    2 
+    260000       52000.00      31.721     -30.424       1.297   3.85 0.143 0.800 0.264 1.978     287.789     300.000       7.881    2 
+    270000       54000.00      28.906     -35.197      -6.292   5.08 0.286 0.692 0.381 1.646     262.248     300.000       6.756    2 
+    280000       56000.00      22.422     -41.207     -18.785   4.36 0.143 0.833 0.318 1.059     203.423     300.000       7.035    2 
+    290000       58000.00      31.516     -35.132      -3.616   4.67 0.286 0.636 0.372 1.463     285.933     300.000       7.261    2 
+    300000       60000.00      23.758     -33.532      -9.773   5.74 0.143 0.818 0.314 3.558     215.547     300.000       7.143    2 
+    310000       62000.00      27.476     -19.403       8.072   6.59 0.143 0.800 0.223 1.247     249.272     300.000       7.385    2 
+    320000       64000.00      31.649     -32.234      -0.585   4.87 0.286 0.429 0.182 1.421     287.132     300.000       8.838    2 
+    330000       66000.00      24.510     -25.217      -0.707   7.07 0.143 0.667 0.182 0.819     222.367     300.000       8.088    2 
+    340000       68000.00      26.333     -32.988      -6.655   3.62 0.429 0.625 0.412 1.953     238.910     300.000       6.411    2 
+    350000       70000.00      31.056     -43.642     -12.586   4.18 0.357 0.667 0.252 2.131     281.754     300.000       6.991    2 
+    360000       72000.00      31.878     -29.897       1.981   6.50 0.214 0.700 0.205 1.691     289.216     300.000       7.785    2 
+    370000       74000.00      33.852     -20.567      13.285   4.53 0.143 0.750 0.358 1.566     307.121     300.000       7.172    2 
+    380000       76000.00      29.943     -29.260       0.683   5.20 0.214 0.400 0.200 2.907     271.661     300.000       7.587    2 
+    390000       78000.00      34.547     -38.125      -3.578   5.02 0.214 0.700 0.273 1.464     313.430     300.000       6.825    2 
+    400000       80000.00      32.887     -32.223       0.664   6.32 0.071 0.875 0.352 1.264     298.370     300.000       7.192    2 
+    410000       82000.00      26.534     -15.676      10.858   5.34 0.143 0.600 0.173 1.254     240.728     300.000       7.632    2 
+    420000       84000.00      31.546     -28.024       3.522   5.14 0.357 0.375 0.324 1.661     286.198     300.000       7.265    2 
+    430000       86000.00      33.805     -29.965       3.840   3.69 0.286 0.556 0.298 1.340     306.695     300.000       7.118    2 
+    440000       88000.00      27.417     -34.945      -7.528   3.99 0.357 0.643 0.351 1.808     248.741     300.000       6.922    2 
+    450000       90000.00      29.080     -21.957       7.123   3.78 0.214 0.727 0.318 2.437     263.829     300.000       7.814    2 
+    460000       92000.00      31.548     -26.885       4.663   4.17 0.429 0.538 0.416 1.648     286.223     300.000       6.991    2 
+    470000       94000.00      30.046     -27.021       3.025   4.60 0.214 0.571 0.227 1.686     272.594     300.000       7.388    2 
+    480000       96000.00      23.274     -26.691      -3.417   4.36 0.143 0.778 0.338 2.257     211.155     300.000       7.252    2 
+    490000       98000.00      32.200     -36.571      -4.371   4.93 0.214 0.625 0.244 2.857     292.133     300.000       7.021    2 
+    500000      100000.00      35.931     -24.437      11.493   5.01 0.286 0.556 0.268 1.823     325.982     300.000       7.536    2 
+    510000      102000.00      30.177     -28.414       1.763   4.89 0.143 0.714 0.299 1.905     273.779     300.000       7.197    2 
+    520000      104000.00      31.502     -40.259      -8.757   4.83 0.143 0.778 0.354 1.584     285.798     300.000       7.044    2 
+    530000      106000.00      31.518     -17.249      14.269   4.78 0.000 1.000 0.443 3.042     285.951     300.000       7.536    2 
+    540000      108000.00      28.823     -25.491       3.332   4.70 0.214 0.500 0.455 1.100     261.501     300.000       7.827    2 
+    550000      110000.00      30.410     -16.882      13.528   3.99 0.357 0.375 0.244 2.810     275.894     300.000       7.827    2 
+    560000      112000.00      30.246     -28.236       2.010   4.96 0.071 0.875 0.449 1.537     274.407     300.000       7.520    2 
+    570000      114000.00      29.434     -25.106       4.328   4.50 0.286 0.667 0.356 1.797     267.044     300.000       7.423    2 
+    580000      116000.00      29.807     -19.837       9.969   5.31 0.071 0.875 0.330 1.982     270.423     300.000       7.167    2 
+    590000      118000.00      29.508     -24.821       4.687   4.52 0.071 0.900 0.514 1.378     267.708     300.000       7.046    2 
+    600000      120000.00      37.031     -39.546      -2.515   5.61 0.286 0.750 0.335 0.931     335.965     300.000       7.017    2 
+    610000      122000.00      25.964     -23.237       2.727   4.72 0.214 0.786 0.338 1.458     235.559     300.000       6.895    2 
+    620000      124000.00      23.522     -25.552      -2.030   3.52 0.214 0.625 0.312 2.680     213.403     300.000       6.747    2 
+    630000      126000.00      31.435     -38.021      -6.586   3.58 0.071 0.750 0.250 1.714     285.193     300.000       7.931    2 
+    640000      128000.00      33.371     -32.810       0.562   3.89 0.286 0.429 0.325 2.460     302.763     300.000       7.089    2 
+    650000      130000.00      25.317     -28.945      -3.628   5.38 0.214 0.727 0.318 1.197     229.692     300.000       6.981    2 
+    660000      132000.00      30.363     -28.762       1.601   4.83 0.286 0.429 0.182 1.317     275.470     300.000       7.239    2 
+    670000      134000.00      33.991     -29.038       4.954   5.52 0.286 0.667 0.326 2.171     308.388     300.000       6.737    2 
+    680000      136000.00      27.327     -26.156       1.172   6.67 0.214 0.812 0.335 1.490     247.929     300.000       6.595    2 
+    690000      138000.00      29.011     -38.861      -9.850   5.44 0.286 0.667 0.390 1.089     263.206     300.000       7.124    2 
+    700000      140000.00      28.765     -21.047       7.718   5.56 0.286 0.765 0.436 1.954     260.975     300.000       6.707    2 
+    710000      142000.00      30.968     -23.178       7.790   3.74 0.214 0.667 0.384 1.830     280.954     300.000       7.984    2 
+    720000      144000.00      19.217     -38.136     -18.919   3.78 0.214 0.571 0.201 1.459     174.344     300.000       7.211    2 
+    730000      146000.00      28.161     -30.688      -2.528   3.93 0.214 0.250 0.284 0.992     255.489     300.000       7.683    2 
+    740000      148000.00      25.942     -22.541       3.402   4.36 0.214 0.571 0.331 0.953     235.362     300.000       7.156    2 
+    750000      150000.00      26.592     -28.942      -2.350   4.73 0.214 0.700 0.245 2.273     241.254     300.000       7.587    2 
+    760000      152000.00      26.601     -31.553      -4.952   5.71 0.214 0.571 0.221 1.507     241.339     300.000       7.130    2 
+    770000      154000.00      19.470     -31.319     -11.849   6.14 0.214 0.625 0.233 1.638     176.638     300.000       7.186    2 
+    780000      156000.00      25.142     -30.112      -4.970   6.03 0.429 0.538 0.371 1.499     228.099     300.000       7.034    2 
+    790000      158000.00      29.151     -32.146      -2.995   4.27 0.286 0.714 0.328 1.534     264.469     300.000       6.963    2 
+    800000      160000.00      26.472     -21.534       4.938   5.02 0.143 0.714 0.331 1.371     240.165     300.000       8.558    2 
+    810000      162000.00      32.659     -12.226      20.434   6.77 0.071 0.750 0.341 0.985     296.302     300.000       9.545    2 
+    820000      164000.00      32.272      -5.737      26.535   7.66 0.143 0.333 0.242 1.770     292.787     300.000       9.988    2 
+    830000      166000.00      25.758      -7.963      17.796   6.09 0.071 0.889 0.222 2.593     233.693     300.000       7.508    2 
+    840000      168000.00      35.511     -22.796      12.715   5.96 0.214 0.625 0.199 1.098     322.175     300.000       8.399    2 
+    850000      170000.00      26.822     -19.222       7.600   4.11 0.214 0.500 0.273 1.616     243.345     300.000       7.598    2 
+    860000      172000.00      27.620     -31.113      -3.493   6.30 0.214 0.571 0.162 1.647     250.579     300.000       8.989    2 
+    870000      174000.00      22.822     -34.551     -11.729   4.77 0.143 0.778 0.283 2.007     207.050     300.000       7.006    2 
+    880000      176000.00      26.050     -39.509     -13.459   5.24 0.286 0.636 0.281 1.225     236.337     300.000       6.793    2 
+    890000      178000.00      26.557     -29.241      -2.684   5.73 0.000 1.000 0.291 1.551     240.942     300.000       7.034    2 
+    900000      180000.00      26.799     -30.435      -3.636   4.22 0.286 0.636 0.202 2.641     243.134     300.000       7.516    2 
+    910000      182000.00      36.355     -31.530       4.825   4.78 0.071 0.909 0.310 2.202     329.833     300.000       7.160    2 
+    920000      184000.00      25.794     -33.753      -7.959   6.69 0.357 0.545 0.211 2.116     234.017     300.000       7.688    2 
+    930000      186000.00      29.590     -20.756       8.833   7.84 0.357 0.286 0.162 1.203     268.451     300.000      10.670    2 
+    940000      188000.00      32.189     -20.663      11.526   7.46 0.286 0.636 0.248 1.560     292.035     300.000       7.105    2 
+    950000      190000.00      26.765     -26.491       0.274   2.62 0.071 0.857 0.318 1.642     242.826     300.000       7.010    2 
+    960000      192000.00      21.237     -27.550      -6.313   5.58 0.214 0.700 0.300 1.363     192.677     300.000       6.910    2 
+    970000      194000.00      25.831     -35.819      -9.988   5.20 0.286 0.556 0.237 0.901     234.352     300.000       7.246    2 
+    980000      196000.00      30.434     -11.068      19.366   4.31 0.214 0.571 0.195 3.373     276.110     300.000       8.663    2 
+    990000      198000.00      31.146     -35.662      -4.515   4.92 0.143 0.833 0.390 1.414     282.576     300.000       6.742    2 
+   1000000      200000.00      41.476     -35.181       6.295   5.07 0.357 0.615 0.332 2.203     376.289     300.000       7.199    2 
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB003.stat b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB003.stat
index a44dbf1..314a994 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB003.stat
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB003.stat
@@ -1,101 +1,101 @@
          0           0.00      28.343      24.828      53.171  12.87 0.000   NaN   NaN 0.708     257.144     300.000      15.552    3 
-     10000        2000.00      36.810      -9.417      27.394   7.48 0.000 1.000 0.318 2.550     333.962     300.000       7.486    3 
-     20000        4000.00      26.042     -26.535      -0.493   6.66 0.143 0.818 0.446 1.919     236.270     300.000       7.471    3 
-     30000        6000.00      24.258     -21.638       2.620   5.14 0.071 0.667 0.348 1.079     220.079     300.000       8.141    3 
-     40000        8000.00      30.011     -25.749       4.263   6.56 0.000 1.000 0.398 1.236     272.277     300.000       7.385    3 
-     50000       10000.00      30.936     -15.590      15.347   7.34 0.214 0.000 0.152 1.047     280.669     300.000      11.108    3 
-     60000       12000.00      33.752     -25.051       8.701   4.60 0.214 0.727 0.397 1.385     306.212     300.000       6.977    3 
-     70000       14000.00      31.939     -37.255      -5.316   3.21 0.571 0.467 0.388 3.704     289.766     300.000       6.871    3 
-     80000       16000.00      33.895     -30.053       3.842   4.20 0.143 0.714 0.221 2.367     307.514     300.000       8.107    3 
-     90000       18000.00      18.392     -24.340      -5.948   4.93 0.071 0.923 0.332 1.590     166.865     300.000       7.597    3 
-    100000       20000.00      28.291     -36.393      -8.102   5.21 0.286 0.733 0.364 1.888     256.670     300.000       6.923    3 
-    110000       22000.00      27.899     -20.070       7.829   6.69 0.143 0.800 0.309 1.218     253.116     300.000       7.236    3 
-    120000       24000.00      26.422      -3.270      23.152   5.31 0.000   NaN   NaN 1.985     239.714     300.000      10.112    3 
-    130000       26000.00      27.410     -31.044      -3.633   4.03 0.214 0.727 0.360 2.557     248.682     300.000       7.822    3 
-    140000       28000.00      27.431     -28.130      -0.699   5.67 0.286 0.600 0.268 2.020     248.870     300.000       8.156    3 
-    150000       30000.00      29.638     -28.605       1.033   5.78 0.286 0.636 0.198 1.647     268.891     300.000       7.122    3 
-    160000       32000.00      24.428     -29.666      -5.238   4.65 0.357 0.583 0.269 1.891     221.627     300.000       7.019    3 
-    170000       34000.00      25.429     -27.336      -1.907   4.90 0.000 1.000 0.255 1.663     230.705     300.000       8.041    3 
-    180000       36000.00      34.008     -24.171       9.837   3.88 0.357 0.667 0.333 1.344     308.540     300.000       6.379    3 
-    190000       38000.00      21.593     -42.373     -20.780   4.45 0.357 0.706 0.439 0.937     195.902     300.000       6.558    3 
-    200000       40000.00      29.013     -34.964      -5.951   4.68 0.357 0.615 0.360 1.162     263.222     300.000       6.934    3 
-    210000       42000.00      29.857     -17.290      12.567   6.81 0.071 0.900 0.218 1.289     270.883     300.000       7.603    3 
-    220000       44000.00      28.533     -34.167      -5.634   5.95 0.286 0.556 0.202 1.376     258.865     300.000       7.429    3 
-    230000       46000.00      26.107     -36.626     -10.519   3.46 0.357 0.615 0.360 1.243     236.856     300.000       6.757    3 
-    240000       48000.00      29.057     -28.750       0.307   4.44 0.214 0.667 0.308 0.821     263.620     300.000       6.631    3 
-    250000       50000.00      29.513     -24.554       4.958   4.45 0.286 0.600 0.427 1.047     267.753     300.000       6.815    3 
-    260000       52000.00      35.529     -15.069      20.461   4.12 0.214 0.000 0.152 1.860     322.341     300.000       7.795    3 
-    270000       54000.00      30.310     -33.156      -2.846   6.41 0.286 0.333 0.152 0.746     274.987     300.000       9.034    3 
-    280000       56000.00      34.484     -20.629      13.855   6.58 0.214 0.700 0.245 1.748     312.857     300.000       8.060    3 
-    290000       58000.00      32.319     -30.228       2.091   3.98 0.286 0.429 0.188 1.463     293.212     300.000       8.452    3 
-    300000       60000.00      31.778     -27.288       4.490   4.14 0.143 0.714 0.162 2.797     288.305     300.000       7.753    3 
-    310000       62000.00      26.556     -29.358      -2.801   4.82 0.071 0.833 0.341 3.431     240.933     300.000       7.130    3 
-    320000       64000.00      29.964     -33.079      -3.115   5.76 0.286 0.692 0.259 0.991     271.851     300.000       6.646    3 
-    330000       66000.00      31.090     -20.197      10.893   5.77 0.000 1.000 0.136 0.728     282.061     300.000       8.519    3 
-    340000       68000.00      32.586     -27.706       4.881   4.65 0.286 0.500 0.199 2.437     295.639     300.000       7.400    3 
-    350000       70000.00      25.382     -33.663      -8.281   6.63 0.214 0.750 0.201 1.695     230.278     300.000       7.956    3 
-    360000       72000.00      32.695     -30.411       2.284   4.76 0.357 0.375 0.284 3.161     296.630     300.000       7.544    3 
-    370000       74000.00      26.830     -38.661     -11.831   4.43 0.286 0.667 0.227 1.731     243.417     300.000       7.050    3 
-    380000       76000.00      29.997     -37.007      -7.010   6.07 0.071 0.917 0.273 1.394     272.152     300.000       6.701    3 
-    390000       78000.00      31.911     -30.366       1.545   4.37 0.143 0.778 0.253 1.718     289.515     300.000       7.680    3 
-    400000       80000.00      29.486     -37.359      -7.872   5.09 0.214 0.700 0.377 1.698     267.517     300.000       6.846    3 
-    410000       82000.00      26.375     -29.668      -3.294   4.00 0.143 0.750 0.227 1.287     239.284     300.000       7.527    3 
-    420000       84000.00      24.228     -30.483      -6.254   5.02 0.214 0.800 0.324 0.887     219.813     300.000       6.826    3 
-    430000       86000.00      34.976     -36.759      -1.783   5.21 0.143 0.818 0.331 1.876     317.322     300.000       7.145    3 
-    440000       88000.00      28.797     -23.551       5.246   6.23 0.214 0.571 0.260 2.413     261.261     300.000       6.937    3 
-    450000       90000.00      24.358     -30.055      -5.697   5.38 0.429 0.455 0.207 1.727     220.991     300.000       6.853    3 
-    460000       92000.00      19.673     -26.469      -6.795   4.97 0.143 0.714 0.312 1.972     178.488     300.000       7.403    3 
-    470000       94000.00      34.962     -25.670       9.292   5.92 0.214 0.625 0.222 1.115     317.192     300.000       7.118    3 
-    480000       96000.00      28.013     -35.163      -7.150   3.49 0.214 0.500 0.182 0.905     254.150     300.000       7.423    3 
-    490000       98000.00      30.441     -24.968       5.473   3.19 0.214 0.700 0.209 2.041     276.176     300.000       7.176    3 
-    500000      100000.00      26.240     -28.590      -2.350   4.17 0.357 0.375 0.199 2.139     238.061     300.000       7.637    3 
-    510000      102000.00      27.862     -18.898       8.964   4.79 0.143 0.667 0.235 1.145     252.776     300.000       7.880    3 
-    520000      104000.00      25.764     -28.240      -2.476   5.40 0.286 0.600 0.273 2.013     233.742     300.000       7.133    3 
-    530000      106000.00      26.163     -37.521     -11.358   4.98 0.286 0.600 0.241 1.987     237.364     300.000       7.346    3 
-    540000      108000.00      23.487     -22.742       0.745   5.10 0.214 0.625 0.256 1.837     213.084     300.000       7.863    3 
-    550000      110000.00      26.834     -16.802      10.032   4.28 0.286 0.667 0.299 2.611     243.454     300.000       7.192    3 
-    560000      112000.00      35.169     -28.436       6.733   5.66 0.214 0.625 0.278 2.054     319.073     300.000       7.718    3 
-    570000      114000.00      27.103     -25.295       1.808   4.67 0.286 0.429 0.396 2.587     245.889     300.000       7.571    3 
-    580000      116000.00      22.138     -18.519       3.620   3.57 0.143 0.667 0.356 0.920     200.851     300.000       7.728    3 
-    590000      118000.00      35.924     -25.215      10.709   3.56 0.214 0.500 0.311 1.557     325.921     300.000       7.670    3 
-    600000      120000.00      30.339     -31.451      -1.112   5.11 0.143 0.857 0.425 1.507     275.254     300.000       7.075    3 
-    610000      122000.00      34.223     -33.486       0.736   5.95 0.357 0.643 0.227 1.565     310.488     300.000       7.569    3 
-    620000      124000.00      28.506     -28.887      -0.382   4.02 0.143 0.846 0.357 1.752     258.617     300.000       6.550    3 
-    630000      126000.00      29.173     -32.225      -3.052   5.49 0.286 0.667 0.390 2.205     264.674     300.000       6.988    3 
-    640000      128000.00      33.122     -39.548      -6.426   4.73 0.214 0.769 0.287 1.130     300.502     300.000       7.196    3 
-    650000      130000.00      26.400     -22.815       3.585   4.82 0.071 0.875 0.239 1.241     239.518     300.000       7.522    3 
-    660000      132000.00      31.039     -34.010      -2.972   3.85 0.286 0.636 0.269 0.914     281.598     300.000       7.375    3 
-    670000      134000.00      24.664     -18.295       6.369   5.79 0.286 0.500 0.182 1.315     223.768     300.000       9.098    3 
-    680000      136000.00      32.595     -22.850       9.746   4.16 0.214 0.400 0.291 1.940     295.723     300.000       7.436    3 
-    690000      138000.00      34.181     -26.621       7.560   4.41 0.429 0.333 0.318 1.085     310.109     300.000       7.835    3 
-    700000      140000.00      31.191     -26.004       5.187   4.11 0.286 0.333 0.159 2.955     282.983     300.000       7.623    3 
-    710000      142000.00      18.913     -38.854     -19.941   4.88 0.214 0.625 0.273 1.226     171.585     300.000       7.449    3 
-    720000      144000.00      27.340     -40.320     -12.980   4.44 0.286 0.692 0.350 0.776     248.043     300.000       7.075    3 
-    730000      146000.00      33.135     -30.929       2.206   4.62 0.357 0.375 0.392 2.009     300.618     300.000       7.428    3 
-    740000      148000.00      26.825     -32.753      -5.928   3.32 0.357 0.444 0.419 2.003     243.366     300.000       6.983    3 
-    750000      150000.00      29.988     -23.902       6.086   2.76 0.143 0.714 0.201 2.131     272.066     300.000       7.284    3 
-    760000      152000.00      30.786     -37.520      -6.734   3.85 0.357 0.545 0.355 1.897     279.308     300.000       6.651    3 
-    770000      154000.00      25.686     -30.136      -4.451   4.08 0.429 0.455 0.368 2.237     233.032     300.000       8.034    3 
-    780000      156000.00      28.062     -34.876      -6.813   4.90 0.071 0.833 0.265 2.193     254.596     300.000       7.552    3 
-    790000      158000.00      35.161     -18.104      17.057   6.97 0.214 0.500 0.212 1.904     318.999     300.000       7.997    3 
-    800000      160000.00      32.000     -25.253       6.747   4.06 0.286 0.500 0.330 1.659     290.318     300.000       7.141    3 
-    810000      162000.00      26.133     -31.256      -5.123   6.27 0.214 0.500 0.189 1.651     237.088     300.000       7.892    3 
-    820000      164000.00      35.165     -31.293       3.872   6.96 0.286 0.636 0.190 3.633     319.032     300.000       7.126    3 
-    830000      166000.00      33.460     -37.977      -4.516   5.64 0.286 0.636 0.194 1.241     303.571     300.000       6.726    3 
-    840000      168000.00      31.047     -44.884     -13.837   4.00 0.286 0.733 0.267 1.482     281.673     300.000       6.510    3 
-    850000      170000.00      28.831     -35.500      -6.669   5.57 0.143 0.778 0.268 2.533     261.571     300.000       6.930    3 
-    860000      172000.00      32.828     -22.587      10.241   4.88 0.214 0.500 0.303 2.200     297.836     300.000       8.360    3 
-    870000      174000.00      22.452     -31.681      -9.229   3.75 0.143 0.800 0.314 0.492     203.693     300.000       7.627    3 
-    880000      176000.00      33.039     -30.608       2.431   5.34 0.214 0.625 0.278 2.000     299.744     300.000       7.108    3 
-    890000      178000.00      30.538     -19.118      11.420   5.71 0.286 0.600 0.195 1.231     277.059     300.000       7.383    3 
-    900000      180000.00      27.428     -30.260      -2.832   6.27 0.286 0.600 0.200 1.826     248.842     300.000       7.538    3 
-    910000      182000.00      37.943     -39.157      -1.214   6.29 0.214 0.727 0.223 1.324     344.243     300.000       7.949    3 
-    920000      184000.00      24.624     -17.149       7.475   6.19 0.143 0.333 0.152 2.279     223.401     300.000       8.592    3 
-    930000      186000.00      39.984     -27.386      12.598   7.90 0.286 0.200 0.173 1.500     362.756     300.000      11.373    3 
-    940000      188000.00      26.766     -23.558       3.207   5.19 0.143 0.857 0.321 1.513     242.832     300.000       6.754    3 
-    950000      190000.00      22.401     -36.884     -14.483   4.94 0.286 0.750 0.324 0.991     203.233     300.000       7.038    3 
-    960000      192000.00      27.723     -39.339     -11.616   4.06 0.214 0.727 0.273 1.165     251.517     300.000       7.126    3 
-    970000      194000.00      28.280     -22.939       5.340   8.69 0.143 0.500 0.159 1.320     256.567     300.000      10.098    3 
-    980000      196000.00      27.872     -28.171      -0.299   5.33 0.071 0.857 0.435 1.139     252.868     300.000       7.261    3 
-    990000      198000.00      21.101     -39.825     -18.724   4.68 0.214 0.500 0.311 1.374     191.444     300.000       7.679    3 
-   1000000      200000.00      33.606     -30.303       3.303   5.05 0.143 0.714 0.201 1.123     304.888     300.000       7.585    3 
+     10000        2000.00      31.059     -32.832      -1.774   7.06 0.214 0.727 0.393 1.332     281.782     300.000       7.067    3 
+     20000        4000.00      29.099     -38.186      -9.087   4.32 0.357 0.667 0.288 1.426     264.004     300.000       6.778    3 
+     30000        6000.00      20.354     -38.072     -17.718   4.09 0.214 0.786 0.295 1.782     184.661     300.000       6.684    3 
+     40000        8000.00      33.953     -35.723      -1.770   5.22 0.286 0.692 0.294 2.681     308.041     300.000       6.766    3 
+     50000       10000.00      31.407     -39.453      -8.046   5.44 0.357 0.500 0.309 1.484     284.941     300.000       7.045    3 
+     60000       12000.00      34.962     -33.063       1.899   5.21 0.357 0.615 0.346 1.493     317.192     300.000       7.130    3 
+     70000       14000.00      32.265     -21.826      10.439   6.69 0.143 0.750 0.199 2.821     292.726     300.000       7.790    3 
+     80000       16000.00      37.966     -24.577      13.389   5.13 0.071 0.800 0.327 1.857     344.450     300.000       7.059    3 
+     90000       18000.00      17.999     -31.411     -13.413   4.58 0.214 0.625 0.193 0.887     163.293     300.000       7.771    3 
+    100000       20000.00      27.931     -34.575      -6.644   4.86 0.143 0.800 0.250 2.020     253.404     300.000       7.487    3 
+    110000       22000.00      22.771     -28.092      -5.321   5.88 0.143 0.778 0.313 1.265     206.587     300.000       7.179    3 
+    120000       24000.00      29.511     -32.821      -3.310   5.40 0.214 0.750 0.284 0.867     267.743     300.000       6.867    3 
+    130000       26000.00      31.854     -30.678       1.176   5.32 0.071 0.857 0.240 2.030     288.997     300.000       7.360    3 
+    140000       28000.00      21.903     -37.692     -15.789   4.22 0.214 0.727 0.318 1.787     198.714     300.000       7.650    3 
+    150000       30000.00      26.677     -27.729      -1.051   6.34 0.286 0.714 0.386 1.833     242.031     300.000       7.077    3 
+    160000       32000.00      28.961     -37.140      -8.179   5.03 0.357 0.583 0.227 1.654     262.748     300.000       7.682    3 
+    170000       34000.00      29.800     -42.036     -12.235   4.55 0.214 0.727 0.273 1.660     270.364     300.000       6.892    3 
+    180000       36000.00      33.319     -26.135       7.184   3.17 0.143 0.714 0.195 2.775     302.290     300.000       7.060    3 
+    190000       38000.00      24.163     -33.272      -9.109   5.83 0.429 0.455 0.264 0.686     219.223     300.000       7.009    3 
+    200000       40000.00      28.897     -22.375       6.523   5.43 0.429 0.400 0.191 1.892     262.172     300.000       6.891    3 
+    210000       42000.00      37.510     -16.260      21.250   6.92 0.143 0.600 0.245 2.129     340.312     300.000       9.113    3 
+    220000       44000.00      30.540     -23.627       6.913   8.14 0.071 0.667 0.152 1.084     277.072     300.000      11.248    3 
+    230000       46000.00      33.043     -23.454       9.589   6.97 0.143 0.500 0.159 1.431     299.782     300.000       8.052    3 
+    240000       48000.00      28.553     -23.998       4.555   5.14 0.500 0.533 0.255 1.221     259.051     300.000       6.917    3 
+    250000       50000.00      32.958     -37.829      -4.870   5.72 0.214 0.786 0.386 1.888     299.014     300.000       6.831    3 
+    260000       52000.00      32.929     -11.987      20.942   4.90 0.286 0.500 0.205 2.030     298.748     300.000       7.722    3 
+    270000       54000.00      26.022     -28.665      -2.643   5.10 0.071 0.889 0.217 1.919     236.081     300.000       6.994    3 
+    280000       56000.00      34.636     -20.071      14.566   5.10 0.357 0.444 0.318 2.008     314.239     300.000       7.144    3 
+    290000       58000.00      28.177     -35.384      -7.206   4.60 0.143 0.833 0.352 1.452     255.640     300.000       7.172    3 
+    300000       60000.00      35.868     -31.438       4.430   6.80 0.286 0.556 0.268 1.544     325.410     300.000       6.709    3 
+    310000       62000.00      30.242     -34.454      -4.212   4.83 0.286 0.636 0.281 3.061     274.369     300.000       6.559    3 
+    320000       64000.00      30.899     -28.723       2.176   5.28 0.286 0.556 0.364 1.056     280.332     300.000       7.371    3 
+    330000       66000.00      29.905     -15.139      14.766   3.86 0.143 0.714 0.279 1.043     271.310     300.000       7.861    3 
+    340000       68000.00      32.186     -27.386       4.800   4.38 0.071 0.857 0.377 1.468     292.006     300.000       7.492    3 
+    350000       70000.00      35.244     -36.422      -1.178   3.29 0.429 0.400 0.300 1.414     319.749     300.000       8.110    3 
+    360000       72000.00      29.765     -22.027       7.738   5.97 0.000 1.000 0.318 1.112     270.043     300.000       7.429    3 
+    370000       74000.00      29.304     -17.348      11.956   6.36 0.071 0.800 0.236 1.123     265.863     300.000       9.767    3 
+    380000       76000.00      32.129     -21.069      11.060   4.19 0.214 0.625 0.341 2.647     291.493     300.000       8.469    3 
+    390000       78000.00      33.473     -16.311      17.163   5.78 0.143 0.667 0.242 0.866     303.688     300.000       9.254    3 
+    400000       80000.00      29.589     -23.653       5.935   6.24 0.357 0.444 0.212 1.650     268.443     300.000       7.101    3 
+    410000       82000.00      28.614     -10.312      18.302   5.40 0.143 0.333 0.182 3.370     259.600     300.000       8.095    3 
+    420000       84000.00      26.127     -17.171       8.955   6.47 0.143 0.600 0.164 1.817     237.034     300.000       8.419    3 
+    430000       86000.00      32.676     -21.456      11.219   6.80 0.286 0.600 0.195 1.965     296.450     300.000       8.198    3 
+    440000       88000.00      29.769     -18.232      11.536   4.67 0.214 0.700 0.441 2.098     270.077     300.000       7.423    3 
+    450000       90000.00      24.162     -21.286       2.876   4.67 0.214 0.625 0.233 1.770     219.212     300.000       8.197    3 
+    460000       92000.00      24.657     -29.025      -4.368   2.49 0.357 0.444 0.258 1.864     223.702     300.000       7.205    3 
+    470000       94000.00      38.664     -21.652      17.013   5.19 0.214 0.400 0.164 2.519     350.784     300.000       9.070    3 
+    480000       96000.00      25.165     -40.038     -14.873   4.88 0.286 0.556 0.217 2.072     228.312     300.000       7.248    3 
+    490000       98000.00      34.210     -30.295       3.915   4.88 0.429 0.500 0.216 1.475     310.373     300.000       7.768    3 
+    500000      100000.00      25.288     -32.432      -7.144   3.56 0.357 0.615 0.294 1.012     229.426     300.000       7.002    3 
+    510000      102000.00      30.151     -32.744      -2.593   5.97 0.286 0.692 0.273 1.727     273.544     300.000       6.921    3 
+    520000      104000.00      25.591     -31.328      -5.737   6.10 0.214 0.727 0.264 1.704     232.172     300.000       7.244    3 
+    530000      106000.00      29.855     -13.097      16.758   7.23 0.214 0.250 0.159 1.301     270.859     300.000      10.390    3 
+    540000      108000.00      25.352     -32.510      -7.158   6.29 0.214 0.667 0.212 2.056     230.005     300.000       8.338    3 
+    550000      110000.00      24.694     -31.044      -6.350   4.60 0.286 0.600 0.323 1.499     224.036     300.000       7.540    3 
+    560000      112000.00      34.303     -25.626       8.677   5.64 0.071 0.800 0.209 3.021     311.213     300.000       8.044    3 
+    570000      114000.00      27.347     -25.049       2.298   5.61 0.071 0.833 0.265 2.370     248.105     300.000       7.852    3 
+    580000      116000.00      20.141     -22.578      -2.437   7.70 0.143 0.667 0.174 1.834     182.733     300.000       9.047    3 
+    590000      118000.00      29.330     -25.820       3.510   3.78 0.214 0.750 0.322 2.625     266.097     300.000       6.917    3 
+    600000      120000.00      28.870     -20.976       7.893   8.82 0.214 0.571 0.182 0.979     261.920     300.000      10.562    3 
+    610000      122000.00      34.133     -19.692      14.441   8.99 0.214 0.400 0.155 1.023     309.669     300.000      12.259    3 
+    620000      124000.00      27.688     -23.129       4.559   4.64 0.214 0.625 0.261 2.344     251.203     300.000       8.535    3 
+    630000      126000.00      29.346     -28.654       0.692   4.50 0.357 0.722 0.379 2.385     266.244     300.000       6.497    3 
+    640000      128000.00      29.453     -36.511      -7.058   4.36 0.143 0.750 0.318 1.374     267.208     300.000       7.206    3 
+    650000      130000.00      26.017     -24.198       1.819   4.43 0.143 0.800 0.445 1.677     236.040     300.000       6.943    3 
+    660000      132000.00      27.681     -26.424       1.257   3.15 0.286 0.556 0.263 2.229     251.136     300.000       7.550    3 
+    670000      134000.00      29.759     -33.798      -4.039   4.69 0.214 0.571 0.279 2.347     269.989     300.000       8.189    3 
+    680000      136000.00      29.897     -23.818       6.079   2.92 0.357 0.583 0.250 1.749     271.237     300.000       7.151    3 
+    690000      138000.00      33.646     -28.105       5.542   3.56 0.214 0.727 0.293 1.756     305.258     300.000       6.935    3 
+    700000      140000.00      32.965     -25.650       7.316   5.39 0.286 0.556 0.202 1.246     299.079     300.000       7.984    3 
+    710000      142000.00      18.975     -47.293     -28.318   2.38 0.429 0.500 0.333 0.785     172.153     300.000       6.962    3 
+    720000      144000.00      25.563     -33.174      -7.611   4.76 0.429 0.571 0.351 1.521     231.922     300.000       6.613    3 
+    730000      146000.00      32.561     -25.265       7.296   4.81 0.071 0.833 0.295 2.356     295.407     300.000       7.445    3 
+    740000      148000.00      28.772     -20.010       8.761   4.70 0.000 1.000 0.170 1.291     261.030     300.000       9.052    3 
+    750000      150000.00      30.407     -24.501       5.906   4.38 0.286 0.667 0.379 3.375     275.865     300.000       7.432    3 
+    760000      152000.00      32.593     -36.225      -3.633   5.71 0.214 0.750 0.371 1.258     295.699     300.000       7.196    3 
+    770000      154000.00      31.332     -31.311       0.021   3.62 0.214 0.625 0.347 2.101     284.256     300.000       7.888    3 
+    780000      156000.00      26.804     -30.078      -3.275   7.08 0.286 0.429 0.195 1.311     243.176     300.000      10.370    3 
+    790000      158000.00      38.775     -27.673      11.101   5.80 0.071 0.800 0.218 1.202     351.785     300.000       9.742    3 
+    800000      160000.00      29.516     -36.334      -6.818   3.31 0.214 0.500 0.409 1.657     267.788     300.000       7.163    3 
+    810000      162000.00      25.611     -21.032       4.579   4.53 0.143 0.667 0.235 1.443     232.360     300.000       7.314    3 
+    820000      164000.00      37.243     -39.023      -1.780   3.28 0.286 0.636 0.244 1.966     337.888     300.000       7.178    3 
+    830000      166000.00      31.083     -39.815      -8.732   2.92 0.500 0.533 0.279 1.206     282.004     300.000       6.937    3 
+    840000      168000.00      29.278     -27.383       1.895   3.66 0.286 0.500 0.364 1.463     265.624     300.000       7.074    3 
+    850000      170000.00      24.665     -31.198      -6.534   3.92 0.357 0.500 0.273 2.010     223.771     300.000       7.095    3 
+    860000      172000.00      34.818     -39.226      -4.408   3.16 0.214 0.700 0.264 2.447     315.888     300.000       7.127    3 
+    870000      174000.00      21.973     -29.915      -7.942   2.56 0.500 0.417 0.345 2.167     199.352     300.000       6.834    3 
+    880000      176000.00      33.925     -17.336      16.588   3.84 0.071 0.833 0.326 1.372     307.781     300.000       6.977    3 
+    890000      178000.00      29.183     -20.262       8.921   3.45 0.214 0.625 0.443 1.758     264.764     300.000       7.720    3 
+    900000      180000.00      32.785     -31.622       1.163   3.39 0.286 0.636 0.397 1.736     297.442     300.000       7.238    3 
+    910000      182000.00      39.317     -33.746       5.571   4.84 0.214 0.625 0.199 2.006     356.703     300.000       8.287    3 
+    920000      184000.00      25.184     -33.353      -8.169   6.25 0.214 0.769 0.276 0.626     228.483     300.000       7.000    3 
+    930000      186000.00      33.475     -25.847       7.628   6.32 0.143 0.600 0.300 1.016     303.705     300.000       7.223    3 
+    940000      188000.00      31.360     -35.540      -4.180   5.56 0.357 0.643 0.370 1.080     284.512     300.000       6.538    3 
+    950000      190000.00      21.677     -37.204     -15.527   5.04 0.429 0.500 0.356 2.120     196.661     300.000       6.877    3 
+    960000      192000.00      28.257     -44.764     -16.507   6.23 0.286 0.636 0.285 1.263     256.358     300.000       7.031    3 
+    970000      194000.00      28.805     -28.742       0.063   5.62 0.143 0.750 0.347 1.873     261.338     300.000       7.299    3 
+    980000      196000.00      30.160     -31.086      -0.926   5.18 0.357 0.545 0.269 1.529     273.624     300.000       7.035    3 
+    990000      198000.00      22.128     -32.259     -10.131   5.85 0.214 0.625 0.216 1.183     200.753     300.000       7.612    3 
+   1000000      200000.00      34.650     -31.931       2.719   4.86 0.214 0.800 0.445 1.777     314.365     300.000       6.774    3 
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB004.stat b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB004.stat
index c6910dd..4b7c9aa 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB004.stat
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB004.stat
@@ -1,101 +1,101 @@
          0           0.00      28.286      24.828      53.114  12.87 0.000   NaN   NaN 0.708     256.624     300.000      15.552    4 
-     10000        2000.00      34.753     -14.054      20.699   5.03 0.071 0.667 0.273 1.850     315.298     300.000       8.793    4 
-     20000        4000.00      29.683     -19.713       9.970   8.35 0.214 0.571 0.208 1.324     269.299     300.000       9.620    4 
-     30000        6000.00      34.492     -19.081      15.412   4.92 0.071 0.900 0.350 1.965     312.934     300.000       6.859    4 
-     40000        8000.00      31.230     -25.228       6.002   4.02 0.143 0.778 0.237 1.608     283.338     300.000       7.199    4 
-     50000       10000.00      35.956     -25.826      10.130   5.03 0.214 0.700 0.241 2.745     326.213     300.000       7.768    4 
-     60000       12000.00      29.724     -30.215      -0.490   4.45 0.286 0.500 0.284 1.205     269.674     300.000       7.558    4 
-     70000       14000.00      30.556     -35.805      -5.248   5.03 0.286 0.692 0.283 1.395     277.224     300.000       6.579    4 
-     80000       16000.00      32.149     -22.206       9.943   4.55 0.357 0.286 0.383 2.064     291.674     300.000       7.342    4 
-     90000       18000.00      30.342     -22.199       8.143   5.29 0.071 0.857 0.273 1.952     275.281     300.000       7.445    4 
-    100000       20000.00      27.528     -37.105      -9.578   3.14 0.286 0.636 0.306 1.196     249.744     300.000       7.141    4 
-    110000       22000.00      33.718     -33.823      -0.106   4.29 0.286 0.778 0.371 1.460     305.903     300.000       6.327    4 
-    120000       24000.00      34.378     -29.566       4.812   5.22 0.214 0.727 0.264 1.359     311.897     300.000       7.138    4 
-    130000       26000.00      31.024     -29.286       1.738   5.33 0.357 0.500 0.182 1.961     281.469     300.000       8.605    4 
-    140000       28000.00      28.298     -30.602      -2.304   5.14 0.071 0.667 0.152 1.341     256.730     300.000       9.325    4 
-    150000       30000.00      33.877     -17.144      16.732   3.84 0.429 0.250 0.341 1.949     307.347     300.000       7.892    4 
-    160000       32000.00      24.889     -26.444      -1.555   8.61 0.286 0.500 0.170 1.702     225.805     300.000      11.586    4 
-    170000       34000.00      25.208     -38.074     -12.865   5.80 0.143 0.750 0.278 1.658     228.705     300.000       7.385    4 
-    180000       36000.00      35.546     -19.589      15.956   5.31 0.143 0.714 0.234 3.048     322.491     300.000       7.386    4 
-    190000       38000.00      30.165     -34.292      -4.127   3.69 0.143 0.800 0.214 1.030     273.674     300.000       7.187    4 
-    200000       40000.00      30.783     -28.806       1.978   6.66 0.143 0.818 0.248 2.312     279.284     300.000       7.111    4 
-    210000       42000.00      29.608     -24.991       4.617   6.00 0.071 0.923 0.217 2.956     268.617     300.000       7.560    4 
-    220000       44000.00      27.102     -34.156      -7.054   2.91 0.143 0.818 0.273 2.078     245.879     300.000       7.065    4 
-    230000       46000.00      22.850     -22.243       0.607   3.75 0.286 0.667 0.352 1.967     207.305     300.000       6.930    4 
-    240000       48000.00      25.732     -29.712      -3.980   2.85 0.286 0.500 0.261 1.450     233.458     300.000       7.041    4 
-    250000       50000.00      26.597     -39.002     -12.405   4.30 0.286 0.692 0.350 1.838     241.303     300.000       7.006    4 
-    260000       52000.00      29.638     -36.024      -6.386   1.98 0.286 0.600 0.373 1.200     268.891     300.000       7.199    4 
-    270000       54000.00      27.849     -32.812      -4.963   2.90 0.429 0.400 0.250 2.025     252.660     300.000       7.018    4 
-    280000       56000.00      24.244     -33.226      -8.982   2.18 0.214 0.571 0.182 1.586     219.955     300.000       7.367    4 
-    290000       58000.00      27.501     -11.864      15.637   8.82 0.214 0.250 0.148 1.713     249.502     300.000      10.657    4 
-    300000       60000.00      31.775     -17.792      13.982   4.52 0.214 0.750 0.322 1.726     288.276     300.000       7.203    4 
-    310000       62000.00      23.017     -17.810       5.207   4.75 0.071 0.857 0.487 1.398     208.822     300.000       8.454    4 
-    320000       64000.00      29.086     -27.130       1.956   5.74 0.143 0.846 0.357 1.637     263.886     300.000       6.491    4 
-    330000       66000.00      32.303      -6.977      25.326   5.88 0.000 1.000 0.500 1.508     293.073     300.000       8.094    4 
-    340000       68000.00      30.736      -9.461      21.275   5.52 0.143 0.667 0.333 2.021     278.850     300.000       8.924    4 
-    350000       70000.00      33.490     -30.684       2.806   4.20 0.214 0.700 0.241 1.486     303.843     300.000       7.934    4 
-    360000       72000.00      24.820     -23.410       1.410   4.83 0.000 1.000 0.323 1.327     225.178     300.000       7.264    4 
-    370000       74000.00      36.506     -28.797       7.710   4.14 0.214 0.667 0.343 3.273     331.204     300.000       7.174    4 
-    380000       76000.00      30.594     -26.415       4.179   5.61 0.143 0.714 0.221 1.114     277.565     300.000       8.139    4 
-    390000       78000.00      25.484     -31.352      -5.868   5.12 0.286 0.714 0.364 2.093     231.204     300.000       6.831    4 
-    400000       80000.00      36.973     -35.438       1.534   4.26 0.286 0.600 0.305 1.641     335.434     300.000       7.302    4 
-    410000       82000.00      32.456     -23.356       9.100   5.88 0.286 0.714 0.360 1.545     294.459     300.000       6.837    4 
-    420000       84000.00      27.673     -29.111      -1.438   4.48 0.214 0.625 0.369 1.307     251.060     300.000       7.807    4 
-    430000       86000.00      33.321     -30.043       3.278   4.59 0.143 0.714 0.247 1.760     302.308     300.000       7.344    4 
-    440000       88000.00      28.362     -36.248      -7.886   4.27 0.286 0.636 0.331 1.814     257.318     300.000       7.167    4 
-    450000       90000.00      30.819     -20.518      10.300   8.50 0.071 0.500 0.136 0.887     279.603     300.000      12.462    4 
-    460000       92000.00      29.385     -28.156       1.229   5.24 0.286 0.429 0.240 2.015     266.600     300.000       8.352    4 
-    470000       94000.00      31.007     -25.108       5.900   3.50 0.143 0.750 0.239 1.494     281.315     300.000       7.155    4 
-    480000       96000.00      33.787     -15.687      18.100   4.57 0.214 0.500 0.174 1.632     306.537     300.000       7.970    4 
-    490000       98000.00      30.268      -7.298      22.970   4.13 0.286 0.429 0.201 1.254     274.609     300.000       8.351    4 
-    500000      100000.00      25.841     -30.402      -4.561   3.85 0.214 0.571 0.312 0.784     234.445     300.000       7.204    4 
-    510000      102000.00      26.228     -35.814      -9.586   3.60 0.214 0.500 0.280 1.130     237.955     300.000       7.483    4 
-    520000      104000.00      30.689     -18.907      11.782   6.89 0.286 0.500 0.182 1.683     278.426     300.000      10.452    4 
-    530000      106000.00      27.705     -21.195       6.510   3.89 0.214 0.625 0.153 1.901     251.350     300.000       7.864    4 
-    540000      108000.00      27.813     -26.340       1.473   3.79 0.071 0.857 0.351 1.358     252.333     300.000       7.916    4 
-    550000      110000.00      35.035      -6.834      28.202   6.35 0.143 0.500 0.159 2.218     317.859     300.000      10.039    4 
-    560000      112000.00      30.339     -36.894      -6.555   4.65 0.071 0.800 0.255 1.093     275.248     300.000       7.585    4 
-    570000      114000.00      31.266     -31.756      -0.490   4.76 0.286 0.636 0.236 0.998     283.660     300.000       7.218    4 
-    580000      116000.00      35.569     -18.038      17.530   6.91 0.000 1.000 0.295 2.187     322.696     300.000       7.139    4 
-    590000      118000.00      29.354     -31.126      -1.772   5.96 0.286 0.667 0.242 2.173     266.316     300.000       6.808    4 
-    600000      120000.00      22.403     -26.952      -4.548   4.48 0.214 0.667 0.338 1.439     203.253     300.000       7.174    4 
-    610000      122000.00      28.603     -25.986       2.618   7.16 0.357 0.500 0.264 2.091     259.503     300.000       8.387    4 
-    620000      124000.00      33.097     -33.416      -0.319   5.27 0.143 0.800 0.327 2.516     300.275     300.000       7.169    4 
-    630000      126000.00      33.247     -34.852      -1.605   6.06 0.357 0.545 0.219 0.520     301.631     300.000       7.774    4 
-    640000      128000.00      29.355     -34.453      -5.098   5.94 0.000 1.000 0.357 1.423     266.323     300.000       6.919    4 
-    650000      130000.00      36.404     -16.210      20.194   6.51 0.071 0.667 0.182 1.685     330.279     300.000       8.872    4 
-    660000      132000.00      27.630     -26.222       1.408   6.70 0.071 0.833 0.250 1.371     250.677     300.000       8.522    4 
-    670000      134000.00      28.954     -20.042       8.912   3.37 0.214 0.571 0.149 2.750     262.686     300.000       8.106    4 
-    680000      136000.00      31.915     -41.993     -10.078   4.16 0.357 0.688 0.338 1.410     289.547     300.000       6.613    4 
-    690000      138000.00      27.405     -36.397      -8.992   4.10 0.214 0.727 0.306 1.197     248.635     300.000       7.388    4 
-    700000      140000.00      27.715     -35.190      -7.475   3.92 0.143 0.778 0.227 2.081     251.446     300.000       7.737    4 
-    710000      142000.00      27.759     -18.469       9.290   6.70 0.143 0.778 0.177 2.333     251.848     300.000       8.512    4 
-    720000      144000.00      27.669     -35.532      -7.863   3.93 0.214 0.786 0.308 1.467     251.023     300.000       6.777    4 
-    730000      146000.00      37.268     -38.953      -1.685   2.96 0.286 0.667 0.333 1.690     338.119     300.000       6.816    4 
-    740000      148000.00      21.480     -26.066      -4.587   4.52 0.286 0.636 0.380 1.261     194.877     300.000       6.545    4 
-    750000      150000.00      23.951     -31.949      -7.998   3.27 0.429 0.571 0.360 1.899     217.294     300.000       6.720    4 
-    760000      152000.00      37.826     -29.160       8.666   3.22 0.357 0.545 0.339 2.612     343.179     300.000       6.983    4 
-    770000      154000.00      31.790     -20.160      11.630   3.50 0.071 0.800 0.245 2.637     288.413     300.000       6.820    4 
-    780000      156000.00      29.294     -25.806       3.488   4.48 0.214 0.500 0.288 1.679     265.775     300.000       7.607    4 
-    790000      158000.00      31.487     -34.009      -2.522   3.73 0.357 0.500 0.268 2.185     285.667     300.000       7.455    4 
-    800000      160000.00      27.242     -32.217      -4.975   4.25 0.429 0.571 0.208 1.461     247.154     300.000       7.170    4 
-    810000      162000.00      31.815     -24.029       7.786   6.20 0.071 0.800 0.236 2.075     288.639     300.000       8.494    4 
-    820000      164000.00      29.627     -20.430       9.196   3.71 0.071 0.800 0.273 3.164     268.787     300.000       7.619    4 
-    830000      166000.00      28.777     -23.687       5.089   4.62 0.143 0.750 0.261 1.306     261.077     300.000       7.516    4 
-    840000      168000.00      25.437     -31.975      -6.538   4.45 0.214 0.700 0.255 1.406     230.782     300.000       6.856    4 
-    850000      170000.00      24.637     -26.713      -2.075   5.87 0.286 0.556 0.197 1.290     223.523     300.000       8.602    4 
-    860000      172000.00      30.279     -27.645       2.634   4.74 0.143 0.714 0.435 1.375     274.709     300.000       7.366    4 
-    870000      174000.00      35.318     -22.435      12.883   6.19 0.143 0.714 0.175 2.484     320.421     300.000       8.748    4 
-    880000      176000.00      36.129     -33.739       2.391   6.66 0.071 0.875 0.398 1.333     327.784     300.000       6.725    4 
-    890000      178000.00      29.244     -29.803      -0.560   5.39 0.214 0.667 0.232 1.904     265.314     300.000       6.862    4 
-    900000      180000.00      31.298     -25.173       6.125   4.99 0.214 0.700 0.377 2.034     283.950     300.000       7.076    4 
-    910000      182000.00      30.846     -24.776       6.070   7.18 0.143 0.500 0.136 1.782     279.851     300.000       9.474    4 
-    920000      184000.00      22.048     -35.481     -13.433   4.83 0.214 0.750 0.367 0.588     200.032     300.000       6.751    4 
-    930000      186000.00      24.645     -41.177     -16.531   6.08 0.214 0.750 0.390 0.851     223.595     300.000       7.112    4 
-    940000      188000.00      29.377     -23.091       6.286   5.45 0.286 0.636 0.306 2.241     266.519     300.000       6.925    4 
-    950000      190000.00      30.934     -34.239      -3.306   3.86 0.357 0.583 0.360 1.383     280.645     300.000       7.500    4 
-    960000      192000.00      28.971     -38.318      -9.347   4.34 0.357 0.500 0.345 0.927     262.841     300.000       7.089    4 
-    970000      194000.00      31.372     -25.990       5.381   3.24 0.429 0.538 0.325 0.950     284.619     300.000       6.641    4 
-    980000      196000.00      28.756     -34.546      -5.790   3.24 0.286 0.333 0.341 2.018     260.892     300.000       7.391    4 
-    990000      198000.00      31.512     -18.374      13.139   4.30 0.143 0.667 0.265 1.028     285.897     300.000       7.030    4 
-   1000000      200000.00      39.886     -21.250      18.637   3.04 0.286 0.556 0.278 2.557     361.870     300.000       7.692    4 
+     10000        2000.00      28.869     -22.520       6.349   6.64 0.071 0.833 0.326 1.829     261.913     300.000       9.513    4 
+     20000        4000.00      27.331     -31.354      -4.023   5.11 0.286 0.636 0.347 2.370     247.964     300.000       6.846    4 
+     30000        6000.00      37.891     -27.543      10.348   7.25 0.143 0.846 0.294 1.761     343.769     300.000       7.067    4 
+     40000        8000.00      36.211     -28.580       7.632   7.17 0.071 0.857 0.344 1.181     328.529     300.000       7.416    4 
+     50000       10000.00      33.129     -19.471      13.658   5.72 0.214 0.400 0.300 4.104     300.566     300.000       8.080    4 
+     60000       12000.00      25.504     -26.942      -1.438   5.36 0.071 0.857 0.266 1.890     231.389     300.000       7.801    4 
+     70000       14000.00      24.632     -24.893      -0.261   4.56 0.143 0.800 0.386 2.359     223.477     300.000       7.041    4 
+     80000       16000.00      29.350     -19.209      10.141   4.40 0.214 0.769 0.378 2.001     266.283     300.000       6.765    4 
+     90000       18000.00      25.638     -29.295      -3.658   4.76 0.286 0.667 0.390 1.209     232.600     300.000       7.056    4 
+    100000       20000.00      28.944     -32.194      -3.250   4.04 0.429 0.500 0.292 1.862     262.599     300.000       6.862    4 
+    110000       22000.00      37.700     -11.357      26.343   6.45 0.071 0.750 0.182 2.951     342.034     300.000      10.341    4 
+    120000       24000.00      30.038     -17.200      12.838   6.56 0.214 0.625 0.222 1.341     272.522     300.000       7.010    4 
+    130000       26000.00      31.420     -17.516      13.903   5.15 0.071 0.800 0.227 1.392     285.055     300.000       8.310    4 
+    140000       28000.00      27.206     -23.074       4.132   4.38 0.071 0.889 0.237 1.768     246.828     300.000       6.952    4 
+    150000       30000.00      32.832     -32.909      -0.077   2.70 0.286 0.500 0.250 1.990     297.867     300.000       7.570    4 
+    160000       32000.00      25.229     -23.953       1.276   4.96 0.500 0.500 0.302 0.977     228.888     300.000       7.698    4 
+    170000       34000.00      23.867     -32.852      -8.986   6.09 0.143 0.778 0.379 1.164     216.531     300.000       6.708    4 
+    180000       36000.00      31.624      -3.541      28.083   7.93 0.286 0.500 0.182 2.580     286.912     300.000      10.160    4 
+    190000       38000.00      29.540     -18.989      10.551   6.81 0.143 0.714 0.247 2.453     268.006     300.000       8.123    4 
+    200000       40000.00      31.739     -16.887      14.852   6.46 0.071 0.900 0.282 1.441     287.955     300.000       7.470    4 
+    210000       42000.00      26.559     -15.359      11.201   5.78 0.143 0.667 0.205 1.906     240.961     300.000       9.422    4 
+    220000       44000.00      30.936     -26.742       4.194   4.44 0.214 0.571 0.279 1.355     280.665     300.000       7.488    4 
+    230000       46000.00      23.996     -30.194      -6.198   4.98 0.286 0.429 0.175 1.531     217.700     300.000       7.864    4 
+    240000       48000.00      24.803     -25.740      -0.937   5.59 0.214 0.250 0.182 1.637     225.024     300.000       8.225    4 
+    250000       50000.00      23.749     -31.298      -7.549   5.84 0.286 0.429 0.312 1.744     215.464     300.000       7.366    4 
+    260000       52000.00      28.433     -33.774      -5.341   7.16 0.214 0.667 0.227 2.386     257.958     300.000       7.593    4 
+    270000       54000.00      27.076     -27.381      -0.304   5.38 0.143 0.800 0.236 1.160     245.649     300.000       7.403    4 
+    280000       56000.00      26.880     -31.664      -4.783   4.44 0.286 0.636 0.219 1.539     243.874     300.000       7.858    4 
+    290000       58000.00      28.072     -31.263      -3.191   3.61 0.214 0.625 0.330 1.319     254.686     300.000       7.592    4 
+    300000       60000.00      38.037     -28.704       9.333   3.93 0.071 0.800 0.309 1.730     345.093     300.000       7.479    4 
+    310000       62000.00      26.743     -22.329       4.414   5.20 0.143 0.818 0.269 1.121     242.626     300.000       7.508    4 
+    320000       64000.00      30.070     -23.807       6.262   4.08 0.357 0.444 0.389 2.646     272.806     300.000       8.275    4 
+    330000       66000.00      35.416     -23.312      12.104   4.45 0.143 0.667 0.371 1.723     321.310     300.000       7.814    4 
+    340000       68000.00      33.655     -27.276       6.379   4.65 0.286 0.429 0.221 1.448     305.337     300.000       7.958    4 
+    350000       70000.00      29.807     -24.899       4.909   6.97 0.214 0.750 0.326 1.364     270.428     300.000       7.196    4 
+    360000       72000.00      23.421     -35.314     -11.893   5.16 0.214 0.727 0.322 2.789     212.484     300.000       6.944    4 
+    370000       74000.00      35.390     -38.578      -3.188   6.39 0.286 0.636 0.264 1.934     321.077     300.000       6.867    4 
+    380000       76000.00      27.728     -10.964      16.764   5.41 0.143 0.333 0.182 1.026     251.565     300.000       7.444    4 
+    390000       78000.00      31.311     -34.830      -3.520   4.29 0.214 0.750 0.299 2.564     284.067     300.000       7.324    4 
+    400000       80000.00      32.733     -26.728       6.005   5.00 0.214 0.625 0.392 1.536     296.973     300.000       7.149    4 
+    410000       82000.00      30.604     -24.121       6.483   4.32 0.286 0.556 0.293 1.495     277.656     300.000       7.860    4 
+    420000       84000.00      27.129     -37.649     -10.520   5.30 0.286 0.636 0.331 1.864     246.130     300.000       6.715    4 
+    430000       86000.00      36.780     -28.521       8.259   5.79 0.214 0.727 0.231 1.262     333.687     300.000       6.993    4 
+    440000       88000.00      31.286     -39.990      -8.705   5.97 0.214 0.667 0.278 0.893     283.839     300.000       6.914    4 
+    450000       90000.00      29.622     -41.881     -12.259   3.03 0.214 0.727 0.372 1.362     268.744     300.000       7.910    4 
+    460000       92000.00      21.136     -32.956     -11.821   4.23 0.357 0.500 0.282 1.347     191.754     300.000       7.538    4 
+    470000       94000.00      27.539     -33.672      -6.132   5.35 0.214 0.667 0.298 1.646     249.852     300.000       7.269    4 
+    480000       96000.00      30.694     -33.678      -2.984   4.36 0.214 0.571 0.201 1.365     278.467     300.000       7.789    4 
+    490000       98000.00      33.944     -25.225       8.719   3.73 0.429 0.250 0.199 3.843     307.956     300.000       7.908    4 
+    500000      100000.00      22.571     -24.213      -1.642   5.14 0.357 0.444 0.288 1.655     204.778     300.000       7.345    4 
+    510000      102000.00      25.335     -31.520      -6.185   6.34 0.214 0.571 0.175 1.296     229.849     300.000       7.683    4 
+    520000      104000.00      27.687     -13.031      14.656   4.41 0.071 0.857 0.318 2.831     251.189     300.000       7.628    4 
+    530000      106000.00      25.555     -17.238       8.317   7.76 0.143 0.500 0.159 1.275     231.847     300.000      10.525    4 
+    540000      108000.00      27.475     -13.323      14.152   5.43 0.214 0.571 0.149 0.958     249.270     300.000       9.683    4 
+    550000      110000.00      33.497     -29.047       4.450   6.42 0.214 0.750 0.231 1.399     303.901     300.000       7.486    4 
+    560000      112000.00      27.550     -27.511       0.039   6.14 0.214 0.700 0.305 1.391     249.948     300.000       7.235    4 
+    570000      114000.00      28.154     -28.319      -0.165   3.47 0.143 0.818 0.306 1.180     255.430     300.000       7.109    4 
+    580000      116000.00      33.634     -18.822      14.812   3.92 0.286 0.333 0.182 1.909     305.149     300.000       8.260    4 
+    590000      118000.00      26.692     -25.983       0.710   3.59 0.143 0.600 0.255 2.937     242.168     300.000       8.077    4 
+    600000      120000.00      30.725     -21.171       9.554   4.85 0.214 0.250 0.182 1.743     278.753     300.000       8.024    4 
+    610000      122000.00      31.532     -26.326       5.205   4.63 0.214 0.667 0.192 1.150     286.072     300.000       7.636    4 
+    620000      124000.00      30.404     -24.582       5.822   5.53 0.214 0.700 0.277 1.922     275.841     300.000       7.159    4 
+    630000      126000.00      33.453     -31.315       2.138   5.38 0.071 0.750 0.341 1.080     303.505     300.000       6.921    4 
+    640000      128000.00      26.953     -29.142      -2.188   4.88 0.286 0.500 0.193 2.066     244.534     300.000       8.066    4 
+    650000      130000.00      36.064     -38.087      -2.023   4.07 0.429 0.455 0.236 2.122     327.190     300.000       7.286    4 
+    660000      132000.00      25.323     -27.690      -2.366   5.41 0.143 0.800 0.282 2.627     229.745     300.000       7.420    4 
+    670000      134000.00      30.650     -25.785       4.865   7.22 0.143 0.667 0.250 0.981     278.072     300.000       7.673    4 
+    680000      136000.00      29.738     -28.132       1.606   6.59 0.214 0.625 0.193 1.548     269.796     300.000       7.722    4 
+    690000      138000.00      27.208     -20.514       6.694   4.35 0.214 0.400 0.336 1.982     246.842     300.000       8.688    4 
+    700000      140000.00      35.101     -24.469      10.632   5.60 0.000 1.000 0.500 1.173     318.458     300.000       7.423    4 
+    710000      142000.00      32.525     -27.250       5.276   6.26 0.071 0.857 0.519 1.336     295.086     300.000       7.542    4 
+    720000      144000.00      28.496     -13.406      15.090   5.37 0.000 1.000 0.468 2.070     258.529     300.000       8.420    4 
+    730000      146000.00      30.461     -14.409      16.052  10.21 0.071 0.500 0.182 2.214     276.361     300.000      13.129    4 
+    740000      148000.00      21.992     -30.442      -8.451   6.03 0.143 0.714 0.240 1.373     199.518     300.000       9.400    4 
+    750000      150000.00      31.213     -15.533      15.681   3.92 0.214 0.000 0.288 1.388     283.181     300.000       7.666    4 
+    760000      152000.00      38.089     -26.603      11.487   3.36 0.429 0.500 0.250 1.532     345.565     300.000       6.930    4 
+    770000      154000.00      32.506     -16.908      15.598   5.90 0.071 0.800 0.300 2.051     294.908     300.000       7.623    4 
+    780000      156000.00      33.587     -28.723       4.864   4.76 0.214 0.500 0.303 1.704     304.718     300.000       7.650    4 
+    790000      158000.00      36.228     -28.966       7.262   6.85 0.214 0.700 0.277 1.699     328.681     300.000       7.161    4 
+    800000      160000.00      32.005     -36.084      -4.079   5.99 0.143 0.800 0.368 1.754     290.366     300.000       7.221    4 
+    810000      162000.00      29.093     -27.455       1.639   6.05 0.214 0.625 0.284 2.103     263.951     300.000       7.069    4 
+    820000      164000.00      26.649     -23.474       3.175   3.98 0.143 0.750 0.295 3.627     241.776     300.000       8.106    4 
+    830000      166000.00      31.607     -34.831      -3.224   3.12 0.143 0.600 0.345 1.102     286.752     300.000       7.909    4 
+    840000      168000.00      32.860     -29.264       3.596   3.77 0.143 0.750 0.284 1.061     298.124     300.000       7.623    4 
+    850000      170000.00      21.357     -22.758      -1.401   3.33 0.286 0.600 0.295 1.812     193.762     300.000       7.036    4 
+    860000      172000.00      31.155     -25.012       6.143   3.54 0.214 0.400 0.182 0.841     282.654     300.000       6.917    4 
+    870000      174000.00      37.533     -29.950       7.584   2.71 0.357 0.444 0.258 1.536     340.523     300.000       6.957    4 
+    880000      176000.00      27.382     -21.056       6.326   4.88 0.214 0.625 0.307 1.413     248.424     300.000       7.594    4 
+    890000      178000.00      30.187     -23.033       7.155   3.64 0.143 0.800 0.386 2.024     273.876     300.000       7.204    4 
+    900000      180000.00      31.018     -13.100      17.918   5.52 0.143 0.818 0.326 1.602     281.415     300.000       6.811    4 
+    910000      182000.00      32.978     -34.462      -1.484   3.82 0.214 0.750 0.356 1.519     299.195     300.000       7.153    4 
+    920000      184000.00      21.164     -31.944     -10.780   6.87 0.143 0.800 0.241 1.313     192.008     300.000       9.412    4 
+    930000      186000.00      24.457     -39.027     -14.570   3.15 0.286 0.692 0.294 1.104     221.884     300.000       6.935    4 
+    940000      188000.00      31.997     -36.161      -4.165   3.32 0.357 0.688 0.301 1.389     290.292     300.000       6.386    4 
+    950000      190000.00      30.458     -22.674       7.785   3.34 0.143 0.600 0.200 1.440     276.333     300.000       8.819    4 
+    960000      192000.00      29.212     -33.846      -4.634   3.05 0.286 0.636 0.384 2.409     265.022     300.000       7.024    4 
+    970000      194000.00      31.292     -26.486       4.806   4.92 0.214 0.727 0.360 2.250     283.901     300.000       6.736    4 
+    980000      196000.00      29.048     -21.883       7.165   4.30 0.143 0.750 0.295 1.658     263.536     300.000       7.391    4 
+    990000      198000.00      31.811     -23.628       8.183   4.99 0.143 0.818 0.306 2.336     288.610     300.000       7.016    4 
+   1000000      200000.00      32.931     -11.998      20.933   4.35 0.143 0.778 0.308 2.240     298.767     300.000       7.126    4 
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB005.stat b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB005.stat
index 684f8c7..5270f85 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB005.stat
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB005.stat
@@ -1,101 +1,101 @@
          0           0.00      34.855      24.828      59.683  12.87 0.000   NaN   NaN 0.708     316.222     300.000      15.552    5 
-     10000        2000.00      24.464     -16.840       7.624   6.85 0.214 0.000 0.136 1.400     221.954     300.000       9.119    5 
-     20000        4000.00      27.935     -24.185       3.750   6.22 0.357 0.444 0.253 2.892     253.441     300.000       7.413    5 
-     30000        6000.00      29.504     -33.722      -4.218   5.46 0.357 0.583 0.337 0.852     267.674     300.000       6.842    5 
-     40000        8000.00      25.101     -24.266       0.835   4.74 0.357 0.583 0.379 2.211     227.730     300.000       7.039    5 
-     50000       10000.00      28.606     -26.952       1.654   4.27 0.143 0.778 0.247 1.015     259.529     300.000       7.201    5 
-     60000       12000.00      24.945     -11.386      13.559   4.48 0.143 0.750 0.392 3.088     226.316     300.000       8.022    5 
-     70000       14000.00      22.586     -36.678     -14.091   4.45 0.214 0.769 0.360 1.068     204.915     300.000       7.279    5 
-     80000       16000.00      29.876     -44.125     -14.249   4.19 0.286 0.636 0.322 0.515     271.051     300.000       7.455    5 
-     90000       18000.00      25.573     -28.402      -2.829   5.00 0.214 0.625 0.335 1.952     232.014     300.000       7.045    5 
-    100000       20000.00      24.590     -37.683     -13.093   4.38 0.357 0.615 0.322 1.639     223.096     300.000       6.847    5 
-    110000       22000.00      36.304     -38.974      -2.670   2.69 0.214 0.571 0.188 1.813     329.367     300.000       7.474    5 
-    120000       24000.00      35.018     -22.739      12.280   5.49 0.214 0.571 0.318 1.795     317.705     300.000       7.505    5 
-    130000       26000.00      31.479     -37.891      -6.412   6.51 0.143 0.800 0.305 3.253     285.593     300.000       6.789    5 
-    140000       28000.00      31.518     -30.163       1.356   6.40 0.071 0.933 0.282 1.317     285.951     300.000       6.662    5 
-    150000       30000.00      31.582     -19.866      11.716   4.43 0.143 0.867 0.376 1.622     286.528     300.000       6.938    5 
-    160000       32000.00      35.366     -36.277      -0.911   5.32 0.286 0.500 0.176 2.316     320.858     300.000       7.463    5 
-    170000       34000.00      25.712     -31.076      -5.363   5.21 0.214 0.769 0.392 3.040     233.273     300.000       7.145    5 
-    180000       36000.00      33.678     -32.230       1.448   5.95 0.286 0.600 0.205 1.788     305.542     300.000       8.147    5 
-    190000       38000.00      27.959     -25.176       2.783   6.39 0.214 0.571 0.182 1.321     253.656     300.000       8.420    5 
-    200000       40000.00      37.267     -24.745      12.522   4.16 0.071 0.857 0.156 1.480     338.102     300.000       8.433    5 
-    210000       42000.00      26.452     -35.239      -8.787   3.45 0.286 0.636 0.240 1.559     239.989     300.000       8.014    5 
-    220000       44000.00      29.803     -24.586       5.217   4.90 0.286 0.500 0.426 3.223     270.386     300.000       8.478    5 
-    230000       46000.00      29.862     -24.429       5.433   6.00 0.214 0.625 0.449 2.387     270.920     300.000       7.800    5 
-    240000       48000.00      30.576     -24.371       6.204   5.24 0.357 0.545 0.347 1.235     277.398     300.000       7.361    5 
-    250000       50000.00      27.606     -19.938       7.668   4.53 0.143 0.500 0.216 3.650     250.460     300.000       8.614    5 
-    260000       52000.00      30.679     -34.522      -3.843   4.24 0.143 0.750 0.233 0.963     278.336     300.000       7.269    5 
-    270000       54000.00      30.470     -23.251       7.219   5.85 0.214 0.700 0.282 1.081     276.443     300.000       6.734    5 
-    280000       56000.00      27.399     -35.196      -7.797   6.25 0.214 0.769 0.360 1.707     248.578     300.000       6.649    5 
-    290000       58000.00      28.607     -38.319      -9.712   5.83 0.357 0.643 0.295 1.930     259.540     300.000       6.769    5 
-    300000       60000.00      28.532     -31.916      -3.384   4.89 0.357 0.545 0.277 1.418     258.859     300.000       7.300    5 
-    310000       62000.00      26.906     -21.486       5.420   5.29 0.071 0.875 0.312 1.271     244.103     300.000       7.019    5 
-    320000       64000.00      26.812     -23.320       3.492   6.51 0.143 0.667 0.242 1.633     243.253     300.000       8.252    5 
-    330000       66000.00      42.230     -48.321      -6.091   6.26 0.357 0.667 0.227 1.120     383.130     300.000       6.832    5 
-    340000       68000.00      26.130     -25.336       0.794   5.92 0.214 0.625 0.176 1.867     237.063     300.000       8.114    5 
-    350000       70000.00      26.549     -18.286       8.263   7.55 0.071 0.833 0.167 1.940     240.862     300.000       9.983    5 
-    360000       72000.00      24.573     -31.310      -6.737   2.94 0.214 0.727 0.339 1.965     222.941     300.000       7.014    5 
-    370000       74000.00      36.350     -35.427       0.923   4.07 0.143 0.750 0.273 1.724     329.783     300.000       7.335    5 
-    380000       76000.00      24.790     -27.414      -2.624   3.97 0.214 0.700 0.250 2.281     224.910     300.000       6.873    5 
-    390000       78000.00      25.336     -21.126       4.210   4.69 0.214 0.000 0.152 1.447     229.862     300.000       7.982    5 
-    400000       80000.00      28.637     -40.569     -11.931   4.01 0.286 0.600 0.205 1.401     259.811     300.000       7.266    5 
-    410000       82000.00      32.721     -44.580     -11.859   4.22 0.286 0.714 0.344 2.017     296.863     300.000       6.863    5 
-    420000       84000.00      28.196     -29.963      -1.767   4.20 0.214 0.667 0.318 1.386     255.807     300.000       6.832    5 
-    430000       86000.00      25.279     -31.955      -6.676   5.21 0.143 0.800 0.200 1.292     229.340     300.000       7.770    5 
-    440000       88000.00      34.397     -25.637       8.760   4.48 0.214 0.571 0.195 1.034     312.063     300.000       7.486    5 
-    450000       90000.00      27.885     -24.639       3.246   4.38 0.286 0.500 0.188 1.062     252.985     300.000       7.224    5 
-    460000       92000.00      26.414     -34.259      -7.845   3.39 0.286 0.667 0.269 3.412     239.643     300.000       6.648    5 
-    470000       94000.00      27.400     -43.115     -15.715   5.13 0.214 0.750 0.322 1.198     248.590     300.000       6.869    5 
-    480000       96000.00      24.573     -27.041      -2.469   4.18 0.071 0.857 0.390 1.369     222.936     300.000       7.295    5 
-    490000       98000.00      28.730     -22.768       5.961   3.85 0.286 0.636 0.190 1.596     260.652     300.000       7.166    5 
-    500000      100000.00      38.734     -21.938      16.796   6.97 0.143 0.500 0.182 2.438     351.411     300.000       8.311    5 
-    510000      102000.00      31.584     -39.809      -8.225   4.89 0.357 0.615 0.273 2.127     286.543     300.000       6.652    5 
-    520000      104000.00      27.804     -36.397      -8.593   3.93 0.357 0.643 0.344 1.141     252.249     300.000       7.161    5 
-    530000      106000.00      33.395     -27.361       6.033   4.86 0.071 0.833 0.182 0.671     302.973     300.000       7.828    5 
-    540000      108000.00      25.982     -36.172     -10.189   3.68 0.286 0.556 0.288 1.647     235.726     300.000       7.449    5 
-    550000      110000.00      25.794     -23.805       1.990   2.58 0.286 0.500 0.278 1.846     234.018     300.000       7.430    5 
-    560000      112000.00      36.120     -30.727       5.393   3.17 0.071 0.833 0.197 1.601     327.697     300.000       7.229    5 
-    570000      114000.00      36.213     -23.065      13.148   6.24 0.000 1.000 0.227 0.821     328.539     300.000       9.732    5 
-    580000      116000.00      35.137     -31.066       4.072   5.74 0.214 0.667 0.328 1.202     318.785     300.000       6.937    5 
-    590000      118000.00      28.879     -21.777       7.102   4.12 0.286 0.600 0.323 2.512     262.005     300.000       7.332    5 
-    600000      120000.00      25.634     -23.136       2.498   4.44 0.071 0.750 0.341 1.565     232.561     300.000       7.306    5 
-    610000      122000.00      29.274     -20.717       8.556   3.96 0.143 0.778 0.359 1.440     265.586     300.000       7.772    5 
-    620000      124000.00      28.770     -23.101       5.669   4.84 0.286 0.500 0.188 2.210     261.015     300.000       8.834    5 
-    630000      126000.00      35.943     -17.886      18.057   8.66 0.214 0.571 0.175 1.772     326.092     300.000      11.963    5 
-    640000      128000.00      28.735     -19.316       9.419   5.25 0.357 0.500 0.232 1.367     260.698     300.000       7.904    5 
-    650000      130000.00      30.208     -29.266       0.942   4.49 0.286 0.667 0.379 2.461     274.059     300.000       7.249    5 
-    660000      132000.00      22.744     -34.214     -11.470   6.49 0.214 0.400 0.191 0.997     206.346     300.000       7.315    5 
-    670000      134000.00      28.729     -31.081      -2.352   4.51 0.143 0.800 0.309 1.689     260.646     300.000       7.522    5 
-    680000      136000.00      29.552     -35.219      -5.667   3.47 0.286 0.200 0.345 1.435     268.115     300.000       6.945    5 
-    690000      138000.00      30.609     -25.586       5.022   4.00 0.214 0.625 0.250 1.993     277.698     300.000       7.251    5 
-    700000      140000.00      23.738     -32.868      -9.131   4.14 0.357 0.545 0.314 1.846     215.361     300.000       6.815    5 
-    710000      142000.00      33.882     -37.099      -3.216   4.59 0.286 0.556 0.278 1.816     307.398     300.000       7.614    5 
-    720000      144000.00      29.015     -23.225       5.789   3.82 0.214 0.727 0.393 1.885     263.236     300.000       7.793    5 
-    730000      146000.00      22.918     -22.866       0.052   4.91 0.071 0.917 0.405 1.235     207.924     300.000       7.199    5 
-    740000      148000.00      32.623     -28.871       3.752   3.36 0.429 0.600 0.379 1.877     295.969     300.000       6.612    5 
-    750000      150000.00      29.806     -28.971       0.835   3.23 0.143 0.667 0.402 0.921     270.413     300.000       7.355    5 
-    760000      152000.00      26.067     -22.501       3.566   4.25 0.286 0.667 0.424 1.987     236.498     300.000       6.704    5 
-    770000      154000.00      26.940     -31.916      -4.976   2.58 0.429 0.455 0.355 2.443     244.409     300.000       6.898    5 
-    780000      156000.00      32.723     -29.244       3.479   3.21 0.286 0.600 0.277 1.507     296.879     300.000       7.148    5 
-    790000      158000.00      26.796     -24.204       2.591   4.05 0.214 0.667 0.237 2.922     243.106     300.000       7.070    5 
-    800000      160000.00      34.287     -19.149      15.138   5.40 0.143 0.778 0.242 1.909     311.073     300.000       8.222    5 
-    810000      162000.00      26.254     -33.399      -7.145   3.73 0.286 0.714 0.344 1.691     238.192     300.000       6.659    5 
-    820000      164000.00      27.508     -31.740      -4.232   3.15 0.357 0.615 0.304 2.492     249.567     300.000       7.134    5 
-    830000      166000.00      25.738     -31.220      -5.482   3.95 0.071 0.900 0.377 1.923     233.509     300.000       7.375    5 
-    840000      168000.00      23.828     -33.831     -10.003   5.39 0.143 0.800 0.382 1.869     216.178     300.000       7.214    5 
-    850000      170000.00      24.827     -28.630      -3.803   4.99 0.071 0.889 0.303 2.458     225.242     300.000       7.415    5 
-    860000      172000.00      35.372     -40.511      -5.139   4.53 0.214 0.769 0.332 0.974     320.912     300.000       7.394    5 
-    870000      174000.00      24.707     -17.778       6.928   3.29 0.143 0.600 0.191 2.163     224.152     300.000       8.191    5 
-    880000      176000.00      26.440     -14.851      11.590   5.41 0.214 0.625 0.449 0.838     239.880     300.000       7.303    5 
-    890000      178000.00      29.367     -23.172       6.195   5.70 0.071 0.800 0.282 1.119     266.431     300.000       8.852    5 
-    900000      180000.00      31.525     -24.340       7.186   6.37 0.286 0.500 0.153 2.059     286.014     300.000       8.028    5 
-    910000      182000.00      31.653     -21.725       9.927   7.16 0.143 0.667 0.182 2.204     287.168     300.000       8.066    5 
-    920000      184000.00      31.628     -15.907      15.721   2.59 0.214 0.400 0.245 1.374     286.944     300.000       7.737    5 
-    930000      186000.00      27.572     -34.785      -7.213   3.81 0.143 0.833 0.402 1.123     250.152     300.000       7.097    5 
-    940000      188000.00      36.362     -23.737      12.625   3.74 0.286 0.667 0.330 1.719     329.897     300.000       6.782    5 
-    950000      190000.00      25.959     -25.605       0.354   4.64 0.214 0.700 0.305 1.316     235.514     300.000       7.115    5 
-    960000      192000.00      31.094     -24.908       6.186   4.54 0.071 0.875 0.358 1.506     282.096     300.000       7.754    5 
-    970000      194000.00      30.335     -18.968      11.367   4.69 0.357 0.583 0.341 1.819     275.214     300.000       7.415    5 
-    980000      196000.00      26.970     -19.764       7.206   7.01 0.143 0.500 0.182 3.416     244.685     300.000       8.026    5 
-    990000      198000.00      31.235     -17.225      14.010   2.91 0.357 0.545 0.207 0.897     283.379     300.000       7.304    5 
-   1000000      200000.00      28.563     -34.077      -5.513   4.08 0.429 0.500 0.375 1.790     259.141     300.000       6.778    5 
+     10000        2000.00      26.801     -36.322      -9.520   4.88 0.143 0.778 0.389 1.709     243.156     300.000       7.192    5 
+     20000        4000.00      30.525     -12.540      17.985   4.05 0.143 0.500 0.182 1.088     276.938     300.000       8.506    5 
+     30000        6000.00      36.954     -38.104      -1.150   4.62 0.357 0.688 0.420 2.390     335.263     300.000       6.830    5 
+     40000        8000.00      26.030     -19.388       6.642   3.29 0.286 0.500 0.341 1.609     236.156     300.000       7.449    5 
+     50000       10000.00      28.191     -23.609       4.582   4.77 0.286 0.500 0.261 1.917     255.766     300.000       7.375    5 
+     60000       12000.00      31.691     -35.532      -3.841   4.35 0.143 0.778 0.318 1.375     287.518     300.000       7.206    5 
+     70000       14000.00      23.939     -29.827      -5.888   3.47 0.429 0.500 0.265 1.439     217.183     300.000       7.342    5 
+     80000       16000.00      25.870     -19.763       6.107   4.88 0.071 0.833 0.235 2.493     234.710     300.000       8.148    5 
+     90000       18000.00      24.316     -35.943     -11.627   2.42 0.357 0.615 0.248 2.972     220.607     300.000       7.252    5 
+    100000       20000.00      23.703     -22.113       1.590   5.02 0.143 0.750 0.250 1.518     215.045     300.000       8.151    5 
+    110000       22000.00      35.077     -39.699      -4.622   4.99 0.071 0.900 0.277 3.773     318.241     300.000       7.848    5 
+    120000       24000.00      35.266     -17.967      17.299   7.78 0.214 0.000 0.152 2.560     319.948     300.000      11.154    5 
+    130000       26000.00      34.932     -23.925      11.006   5.64 0.286 0.692 0.234 1.100     316.920     300.000       8.145    5 
+    140000       28000.00      31.857     -25.097       6.760   5.96 0.286 0.556 0.182 1.557     289.026     300.000       8.100    5 
+    150000       30000.00      30.339     -25.484       4.855   6.39 0.214 0.625 0.182 1.387     275.254     300.000       7.845    5 
+    160000       32000.00      33.751     -19.856      13.895   5.57 0.286 0.500 0.335 2.823     306.209     300.000       7.020    5 
+    170000       34000.00      26.986     -19.146       7.839   5.09 0.214 0.400 0.445 2.077     244.830     300.000       7.496    5 
+    180000       36000.00      31.317     -32.881      -1.564   6.45 0.357 0.286 0.247 1.853     284.125     300.000       7.470    5 
+    190000       38000.00      29.216     -24.455       4.760   9.70 0.214 0.500 0.152 1.876     265.062     300.000      13.155    5 
+    200000       40000.00      37.175     -31.897       5.278   4.72 0.143 0.667 0.258 1.811     337.272     300.000       7.610    5 
+    210000       42000.00      28.153     -28.490      -0.337   4.74 0.143 0.667 0.265 3.386     255.416     300.000       7.346    5 
+    220000       44000.00      34.026     -31.852       2.173   4.53 0.214 0.667 0.364 1.563     308.700     300.000       7.295    5 
+    230000       46000.00      33.483     -40.116      -6.633   5.57 0.214 0.769 0.332 1.490     303.776     300.000       7.002    5 
+    240000       48000.00      30.725     -35.159      -4.434   4.61 0.143 0.714 0.299 1.570     278.752     300.000       7.399    5 
+    250000       50000.00      28.750     -14.433      14.317   5.05 0.071 0.667 0.152 2.133     260.834     300.000       8.347    5 
+    260000       52000.00      27.609     -32.035      -4.427   6.54 0.357 0.615 0.266 1.030     250.479     300.000       6.923    5 
+    270000       54000.00      33.445     -31.208       2.237   5.13 0.214 0.625 0.290 2.665     303.433     300.000       7.241    5 
+    280000       56000.00      30.272     -13.350      16.922   6.41 0.143 0.500 0.182 1.238     274.645     300.000       9.501    5 
+    290000       58000.00      31.281     -24.403       6.878   6.28 0.143 0.778 0.323 2.752     283.798     300.000       7.174    5 
+    300000       60000.00      30.426     -12.221      18.205   6.26 0.000 1.000 0.500 2.201     276.039     300.000       7.728    5 
+    310000       62000.00      27.816     -24.814       3.002   3.03 0.429 0.333 0.237 1.341     252.361     300.000       7.492    5 
+    320000       64000.00      25.260     -40.661     -15.401   4.95 0.214 0.769 0.304 0.958     229.172     300.000       6.927    5 
+    330000       66000.00      34.862     -27.350       7.512   4.56 0.143 0.846 0.402 1.141     316.283     300.000       6.485    5 
+    340000       68000.00      26.972     -23.369       3.603   4.01 0.071 0.750 0.216 1.922     244.702     300.000       7.850    5 
+    350000       70000.00      27.116     -25.220       1.896   7.05 0.143 0.778 0.318 2.223     246.012     300.000       7.056    5 
+    360000       72000.00      23.726     -23.387       0.340   4.64 0.143 0.818 0.285 2.736     215.258     300.000       7.552    5 
+    370000       74000.00      33.952     -31.203       2.749   2.34 0.357 0.583 0.337 1.185     308.029     300.000       7.149    5 
+    380000       76000.00      26.023     -26.316      -0.293   5.08 0.214 0.769 0.350 1.429     236.096     300.000       7.385    5 
+    390000       78000.00      23.825     -30.666      -6.841   4.78 0.286 0.636 0.360 0.932     216.157     300.000       7.255    5 
+    400000       80000.00      25.532     -31.044      -5.512   5.00 0.286 0.667 0.314 1.773     231.644     300.000       6.878    5 
+    410000       82000.00      31.370     -26.058       5.312   4.26 0.143 0.818 0.302 1.123     284.604     300.000       7.277    5 
+    420000       84000.00      25.972     -27.868      -1.895   4.32 0.286 0.667 0.292 1.939     235.634     300.000       7.203    5 
+    430000       86000.00      28.228     -26.605       1.623   5.99 0.214 0.625 0.369 1.253     256.096     300.000       6.899    5 
+    440000       88000.00      32.801     -23.379       9.422   3.73 0.429 0.538 0.325 1.232     297.591     300.000       6.671    5 
+    450000       90000.00      28.697     -33.412      -4.715   6.16 0.214 0.571 0.182 1.804     260.355     300.000       8.241    5 
+    460000       92000.00      25.466     -23.108       2.358   7.23 0.143 0.800 0.218 2.996     231.044     300.000       7.863    5 
+    470000       94000.00      23.102     -35.021     -11.918   3.73 0.286 0.667 0.424 1.116     209.597     300.000       6.814    5 
+    480000       96000.00      24.930     -27.280      -2.350   4.08 0.143 0.667 0.356 1.525     226.176     300.000       7.425    5 
+    490000       98000.00      29.572     -25.387       4.185   4.45 0.071 0.857 0.351 2.590     268.289     300.000       7.308    5 
+    500000      100000.00      32.796     -28.001       4.795   4.52 0.214 0.750 0.443 3.034     297.538     300.000       7.330    5 
+    510000      102000.00      30.598     -19.816      10.782   4.93 0.214 0.625 0.307 1.461     277.603     300.000       7.482    5 
+    520000      104000.00      26.515     -30.855      -4.340   6.28 0.143 0.714 0.182 1.602     240.557     300.000       8.386    5 
+    530000      106000.00      29.358     -31.972      -2.614   6.10 0.286 0.667 0.352 1.767     266.352     300.000       6.792    5 
+    540000      108000.00      26.530     -43.202     -16.672   3.40 0.500 0.562 0.332 0.952     240.694     300.000       6.848    5 
+    550000      110000.00      26.793     -32.230      -5.437   6.79 0.286 0.692 0.210 3.420     243.078     300.000       7.252    5 
+    560000      112000.00      37.253     -34.598       2.655   3.81 0.214 0.625 0.290 1.039     337.974     300.000       6.730    5 
+    570000      114000.00      31.706     -33.958      -2.252   4.92 0.071 0.923 0.280 1.148     287.658     300.000       7.360    5 
+    580000      116000.00      34.372     -15.770      18.601   3.50 0.143 0.667 0.485 1.552     311.837     300.000       8.255    5 
+    590000      118000.00      31.068      -8.660      22.408   6.52 0.071 0.500 0.205 0.821     281.869     300.000      10.399    5 
+    600000      120000.00      29.588     -17.181      12.407   5.39 0.143 0.750 0.278 2.038     268.433     300.000       8.442    5 
+    610000      122000.00      33.049     -32.609       0.440   4.46 0.214 0.727 0.310 1.719     299.837     300.000       7.179    5 
+    620000      124000.00      31.216     -13.412      17.803   7.38 0.214 0.625 0.199 2.226     283.204     300.000       9.280    5 
+    630000      126000.00      32.004     -18.073      13.931   4.96 0.214 0.625 0.188 2.135     290.353     300.000       8.565    5 
+    640000      128000.00      30.262     -17.244      13.018   9.54 0.143 0.500 0.148 0.813     274.551     300.000      12.494    5 
+    650000      130000.00      25.220     -25.622      -0.402   6.95 0.143 0.750 0.205 1.779     228.809     300.000       8.178    5 
+    660000      132000.00      20.332     -29.812      -9.480   7.61 0.071 0.750 0.182 1.126     184.461     300.000       8.993    5 
+    670000      134000.00      26.687     -38.357     -11.670   3.84 0.214 0.769 0.378 2.503     242.116     300.000       6.842    5 
+    680000      136000.00      27.674     -29.620      -1.945   4.25 0.143 0.750 0.341 1.878     251.076     300.000       7.474    5 
+    690000      138000.00      32.517     -26.736       5.781   6.11 0.143 0.667 0.205 1.038     295.015     300.000       9.486    5 
+    700000      140000.00      29.013     -18.278      10.735   4.89 0.214 0.400 0.591 1.589     263.222     300.000       8.116    5 
+    710000      142000.00      30.261     -36.340      -6.079   5.39 0.286 0.692 0.385 1.599     274.541     300.000       6.834    5 
+    720000      144000.00      23.462     -32.918      -9.456   6.29 0.214 0.625 0.335 1.699     212.862     300.000       7.235    5 
+    730000      146000.00      23.575     -33.753     -10.178   5.81 0.214 0.700 0.300 1.050     213.888     300.000       6.999    5 
+    740000      148000.00      29.549     -21.660       7.889   4.69 0.143 0.600 0.218 2.009     268.087     300.000       8.188    5 
+    750000      150000.00      31.057     -20.463      10.594   3.86 0.214 0.571 0.279 0.876     281.765     300.000       8.207    5 
+    760000      152000.00      28.118     -14.847      13.271   6.64 0.000 1.000 0.280 1.601     255.100     300.000       7.673    5 
+    770000      154000.00      29.828     -34.805      -4.976   6.41 0.286 0.667 0.375 0.708     270.619     300.000       6.953    5 
+    780000      156000.00      26.636     -26.219       0.417   4.99 0.214 0.700 0.323 2.422     241.656     300.000       7.115    5 
+    790000      158000.00      28.098     -22.572       5.525   5.05 0.214 0.700 0.336 1.433     254.916     300.000       6.952    5 
+    800000      160000.00      35.377     -25.553       9.824   6.94 0.143 0.714 0.273 2.201     320.961     300.000       7.414    5 
+    810000      162000.00      32.825     -24.316       8.509   5.95 0.286 0.714 0.276 1.316     297.803     300.000       7.650    5 
+    820000      164000.00      28.844     -34.400      -5.556   4.49 0.214 0.667 0.202 2.254     261.687     300.000       7.970    5 
+    830000      166000.00      25.475     -27.420      -1.945   5.82 0.143 0.750 0.233 1.511     231.125     300.000       7.696    5 
+    840000      168000.00      25.645     -27.756      -2.112   4.47 0.286 0.500 0.318 3.105     232.661     300.000       7.264    5 
+    850000      170000.00      26.474     -33.255      -6.781   4.76 0.286 0.714 0.318 1.919     240.183     300.000       7.069    5 
+    860000      172000.00      30.353     -24.538       5.816   5.74 0.357 0.375 0.188 3.271     275.383     300.000       9.336    5 
+    870000      174000.00      26.628     -31.411      -4.783   6.41 0.214 0.769 0.322 2.390     241.581     300.000       6.814    5 
+    880000      176000.00      26.296     -33.443      -7.147   4.67 0.214 0.727 0.335 1.807     238.571     300.000       6.817    5 
+    890000      178000.00      30.282     -31.826      -1.544   4.26 0.071 0.857 0.325 1.957     274.734     300.000       7.427    5 
+    900000      180000.00      26.765     -23.772       2.993   4.79 0.143 0.750 0.278 2.394     242.824     300.000       7.410    5 
+    910000      182000.00      32.853     -26.209       6.644   2.32 0.429 0.455 0.413 1.670     298.063     300.000       7.111    5 
+    920000      184000.00      29.075     -30.476      -1.400   3.33 0.286 0.500 0.176 2.674     263.784     300.000       7.450    5 
+    930000      186000.00      24.267     -34.770     -10.503   4.36 0.429 0.538 0.364 1.308     220.162     300.000       6.577    5 
+    940000      188000.00      34.663      -0.736      33.927   9.49 0.143 0.500 0.148 2.047     314.479     300.000      12.364    5 
+    950000      190000.00      30.207     -37.692      -7.486   3.59 0.143 0.818 0.397 0.759     274.050     300.000       7.093    5 
+    960000      192000.00      30.146     -20.839       9.306   3.82 0.143 0.714 0.344 1.225     273.497     300.000       7.362    5 
+    970000      194000.00      29.053     -37.396      -8.342   3.89 0.429 0.571 0.338 1.803     263.586     300.000       7.172    5 
+    980000      196000.00      29.473     -12.297      17.176   4.61 0.214 0.250 0.148 1.188     267.394     300.000       8.609    5 
+    990000      198000.00      31.901     -17.826      14.074   6.98 0.214 0.667 0.227 1.662     289.420     300.000       7.997    5 
+   1000000      200000.00      28.937      -8.899      20.038   6.35 0.000 1.000 0.621 2.337     262.529     300.000       7.933    5 
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB006.stat b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB006.stat
index 04ab688..ad2f4c9 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB006.stat
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB006.stat
@@ -1,101 +1,101 @@
          0           0.00      35.724      24.828      60.552  12.87 0.000   NaN   NaN 0.708     324.108     300.000      15.552    6 
-     10000        2000.00      28.844     -10.611      18.233   6.65 0.071 0.000 0.182 1.928     261.690     300.000      10.417    6 
-     20000        4000.00      31.453     -24.581       6.872   6.56 0.143 0.800 0.359 1.631     285.362     300.000       7.321    6 
-     30000        6000.00      26.252     -16.931       9.321   6.31 0.071 0.857 0.331 0.520     238.171     300.000       7.578    6 
-     40000        8000.00      25.200     -28.275      -3.076   5.12 0.286 0.600 0.255 1.054     228.626     300.000       7.156    6 
-     50000       10000.00      23.415     -30.823      -7.407   4.99 0.286 0.667 0.398 1.910     212.437     300.000       7.072    6 
-     60000       12000.00      33.710     -37.219      -3.509   4.11 0.214 0.750 0.330 0.964     305.831     300.000       7.313    6 
-     70000       14000.00      29.554     -27.477       2.077   2.80 0.429 0.455 0.277 4.112     268.130     300.000       6.719    6 
-     80000       16000.00      34.933     -42.671      -7.738   3.91 0.357 0.583 0.379 1.770     316.929     300.000       6.515    6 
-     90000       18000.00      28.290     -31.595      -3.305   2.88 0.429 0.500 0.284 1.178     256.662     300.000       6.683    6 
-    100000       20000.00      29.529     -29.445       0.085   6.02 0.071 0.800 0.282 1.760     267.904     300.000       7.643    6 
-    110000       22000.00      31.484     -25.022       6.462   4.79 0.500 0.417 0.269 2.045     285.639     300.000       6.973    6 
-    120000       24000.00      27.949     -37.388      -9.439   5.85 0.286 0.600 0.309 1.971     253.571     300.000       7.367    6 
-    130000       26000.00      26.875     -30.624      -3.749   5.82 0.286 0.600 0.223 1.127     243.823     300.000       7.503    6 
-    140000       28000.00      28.211     -24.866       3.345   5.19 0.143 0.800 0.282 2.522     255.948     300.000       7.141    6 
-    150000       30000.00      26.744     -34.253      -7.509   5.17 0.286 0.556 0.227 1.406     242.637     300.000       7.075    6 
-    160000       32000.00      30.616     -16.226      14.390   5.52 0.143 0.667 0.242 2.199     277.760     300.000       7.848    6 
-    170000       34000.00      28.705     -35.751      -7.046   5.04 0.214 0.500 0.189 0.806     260.422     300.000       7.403    6 
-    180000       36000.00      24.652     -28.976      -4.324   4.78 0.143 0.714 0.201 1.681     223.652     300.000       7.271    6 
-    190000       38000.00      25.567     -27.932      -2.364   6.45 0.214 0.571 0.175 1.527     231.961     300.000       7.094    6 
-    200000       40000.00      28.251     -37.332      -9.081   6.02 0.286 0.667 0.254 1.753     256.303     300.000       6.736    6 
-    210000       42000.00      25.687     -27.146      -1.459   5.22 0.214 0.700 0.195 2.445     233.048     300.000       7.519    6 
-    220000       44000.00      30.851     -23.571       7.280   5.07 0.214 0.625 0.295 2.742     279.893     300.000       7.200    6 
-    230000       46000.00      22.713     -21.307       1.406   5.12 0.214 0.700 0.250 1.428     206.066     300.000       7.116    6 
-    240000       48000.00      33.949     -31.898       2.052   6.70 0.143 0.778 0.192 2.203     308.004     300.000       9.936    6 
-    250000       50000.00      31.147     -27.737       3.410   7.13 0.214 0.500 0.159 1.658     282.581     300.000       9.351    6 
-    260000       52000.00      26.779     -22.906       3.873   6.63 0.143 0.600 0.182 0.968     242.955     300.000       8.687    6 
-    270000       54000.00      26.003     -17.625       8.379   6.55 0.357 0.444 0.162 3.598     235.917     300.000       9.538    6 
-    280000       56000.00      30.594     -32.042      -1.448   4.45 0.286 0.429 0.247 1.779     277.567     300.000       7.441    6 
-    290000       58000.00      34.399     -19.807      14.593   3.70 0.286 0.636 0.314 2.133     312.087     300.000       7.806    6 
-    300000       60000.00      27.285     -30.676      -3.392   5.40 0.357 0.583 0.205 1.042     247.542     300.000       7.419    6 
-    310000       62000.00      28.211     -33.175      -4.965   5.71 0.286 0.636 0.240 1.801     255.941     300.000       6.982    6 
-    320000       64000.00      26.816     -25.847       0.969   4.35 0.214 0.571 0.195 1.559     243.287     300.000       7.613    6 
-    330000       66000.00      26.373     -40.383     -14.009   3.63 0.071 0.909 0.289 1.583     239.272     300.000       7.158    6 
-    340000       68000.00      32.006     -26.543       5.464   5.86 0.071 0.500 0.205 1.964     290.379     300.000       8.527    6 
-    350000       70000.00      34.229     -17.739      16.490   6.86 0.214 0.500 0.227 1.769     310.539     300.000       7.851    6 
-    360000       72000.00      27.524     -33.837      -6.313   4.83 0.286 0.636 0.256 2.282     249.709     300.000       7.340    6 
-    370000       74000.00      31.798     -36.620      -4.822   5.26 0.286 0.692 0.252 2.071     288.486     300.000       6.907    6 
-    380000       76000.00      31.211     -36.348      -5.136   4.13 0.286 0.556 0.409 2.685     283.166     300.000       7.540    6 
-    390000       78000.00      25.107     -34.274      -9.167   4.53 0.214 0.769 0.350 1.138     227.780     300.000       7.263    6 
-    400000       80000.00      24.156     -21.003       3.154   3.81 0.214 0.727 0.322 2.452     219.157     300.000       7.254    6 
-    410000       82000.00      27.768     -36.509      -8.740   4.02 0.286 0.692 0.360 1.875     251.930     300.000       6.625    6 
-    420000       84000.00      26.215     -33.952      -7.737   3.66 0.357 0.615 0.227 3.581     237.834     300.000       7.222    6 
-    430000       86000.00      27.505     -21.877       5.628   4.11 0.000 1.000 0.173 2.167     249.540     300.000       7.738    6 
-    440000       88000.00      26.111     -32.101      -5.991   4.84 0.214 0.750 0.371 2.151     236.891     300.000       6.687    6 
-    450000       90000.00      28.529     -30.047      -1.517   4.77 0.071 0.800 0.400 1.360     258.833     300.000       7.409    6 
-    460000       92000.00      31.087     -30.414       0.673   4.46 0.143 0.778 0.338 1.421     282.038     300.000       7.355    6 
-    470000       94000.00      30.593     -24.753       5.840   4.12 0.357 0.286 0.201 1.740     277.553     300.000       7.102    6 
-    480000       96000.00      27.204     -26.836       0.368   4.49 0.143 0.833 0.265 1.797     246.806     300.000       8.050    6 
-    490000       98000.00      28.954     -31.849      -2.895   3.40 0.143 0.778 0.338 1.163     262.685     300.000       7.109    6 
-    500000      100000.00      36.827     -21.897      14.930   4.26 0.357 0.545 0.310 2.311     334.116     300.000       7.221    6 
-    510000      102000.00      29.320     -28.851       0.469   6.00 0.214 0.700 0.286 2.104     266.003     300.000       6.704    6 
-    520000      104000.00      24.931     -31.856      -6.925   4.74 0.357 0.444 0.278 3.176     226.186     300.000       7.137    6 
-    530000      106000.00      28.288     -37.553      -9.265   5.87 0.429 0.571 0.383 1.812     256.647     300.000       6.865    6 
-    540000      108000.00      32.471     -32.654      -0.183   4.68 0.357 0.615 0.388 1.141     294.591     300.000       7.402    6 
-    550000      110000.00      30.706     -26.137       4.569   5.31 0.071 0.857 0.429 1.745     278.581     300.000       8.393    6 
-    560000      112000.00      34.356     -24.517       9.839   5.83 0.000 1.000 0.348 1.727     311.692     300.000       6.769    6 
-    570000      114000.00      36.602     -28.309       8.293   5.69 0.071 0.857 0.351 2.971     332.076     300.000       7.469    6 
-    580000      116000.00      35.430     -38.744      -3.314   5.16 0.214 0.824 0.321 1.995     321.435     300.000       6.665    6 
-    590000      118000.00      35.368     -20.966      14.402   6.58 0.214 0.667 0.182 1.690     320.878     300.000       9.574    6 
-    600000      120000.00      32.713     -31.705       1.008   4.20 0.071 0.857 0.305 3.107     296.792     300.000       7.893    6 
-    610000      122000.00      35.252     -29.452       5.801   5.25 0.357 0.545 0.248 2.670     319.826     300.000       7.474    6 
-    620000      124000.00      27.397     -33.532      -6.135   5.57 0.214 0.750 0.352 1.899     248.560     300.000       7.012    6 
-    630000      126000.00      29.923     -25.435       4.488   5.79 0.143 0.500 0.307 0.461     271.473     300.000       7.686    6 
-    640000      128000.00      26.456     -27.515      -1.059   5.11 0.071 0.875 0.295 2.036     240.023     300.000       7.449    6 
-    650000      130000.00      34.964     -21.426      13.538   5.90 0.214 0.625 0.216 0.890     317.211     300.000       8.290    6 
-    660000      132000.00      41.178     -31.022      10.156   3.22 0.286 0.556 0.364 1.776     373.585     300.000       6.456    6 
-    670000      134000.00      28.114     -21.202       6.912   3.78 0.143 0.600 0.164 2.339     255.066     300.000       8.191    6 
-    680000      136000.00      26.449     -21.919       4.530   5.34 0.214 0.571 0.201 2.579     239.957     300.000       7.615    6 
-    690000      138000.00      38.865     -26.613      12.252   2.91 0.429 0.455 0.331 2.349     352.605     300.000       6.980    6 
-    700000      140000.00      32.141     -39.164      -7.023   6.79 0.286 0.600 0.200 2.165     291.598     300.000       7.271    6 
-    710000      142000.00      24.959     -39.085     -14.126   3.90 0.286 0.636 0.244 1.022     226.443     300.000       7.384    6 
-    720000      144000.00      26.838     -21.032       5.806   4.75 0.071 0.833 0.212 2.087     243.493     300.000       7.140    6 
-    730000      146000.00      26.248     -29.743      -3.495   4.06 0.143 0.800 0.264 2.028     238.139     300.000       7.890    6 
-    740000      148000.00      27.189     -40.835     -13.647   4.13 0.286 0.733 0.303 1.227     246.668     300.000       7.004    6 
-    750000      150000.00      31.926     -22.698       9.228   4.30 0.214 0.700 0.364 1.309     289.650     300.000       7.854    6 
-    760000      152000.00      29.890     -26.497       3.393   4.50 0.214 0.625 0.205 2.367     271.177     300.000       7.904    6 
-    770000      154000.00      35.449     -11.090      24.359   7.44 0.071 0.500 0.182 2.129     321.616     300.000      10.652    6 
-    780000      156000.00      29.353     -25.616       3.737   5.66 0.143 0.800 0.400 1.545     266.307     300.000       7.116    6 
-    790000      158000.00      28.550     -35.928      -7.378   6.63 0.214 0.625 0.188 1.455     259.022     300.000       7.852    6 
-    800000      160000.00      27.040     -22.861       4.178   6.54 0.143 0.667 0.182 2.046     245.319     300.000       8.494    6 
-    810000      162000.00      26.345     -30.199      -3.854   3.76 0.357 0.643 0.360 0.738     239.015     300.000       6.850    6 
-    820000      164000.00      25.171     -26.189      -1.018   3.93 0.286 0.667 0.314 1.773     228.366     300.000       6.620    6 
-    830000      166000.00      34.475     -35.327      -0.851   3.28 0.286 0.636 0.326 1.441     312.777     300.000       6.927    6 
-    840000      168000.00      27.612     -15.346      12.266   2.51 0.286 0.333 0.356 2.140     250.512     300.000       7.496    6 
-    850000      170000.00      31.525     -39.295      -7.770   4.62 0.357 0.615 0.266 1.598     286.009     300.000       7.818    6 
-    860000      172000.00      31.937     -20.515      11.421   5.88 0.286 0.429 0.162 1.923     289.744     300.000      10.312    6 
-    870000      174000.00      31.115     -25.833       5.283   3.30 0.214 0.700 0.405 1.742     282.293     300.000       6.819    6 
-    880000      176000.00      27.078     -35.110      -8.033   3.46 0.071 0.750 0.227 1.109     245.662     300.000       7.573    6 
-    890000      178000.00      31.753     -26.699       5.054   4.42 0.071 0.833 0.242 1.464     288.077     300.000       7.432    6 
-    900000      180000.00      31.646     -31.134       0.512   5.30 0.143 0.818 0.413 1.632     287.108     300.000       7.000    6 
-    910000      182000.00      33.999     -14.135      19.864   3.98 0.214 0.727 0.314 1.948     308.460     300.000       7.830    6 
-    920000      184000.00      29.718     -28.022       1.695   4.28 0.286 0.600 0.305 2.289     269.613     300.000       7.298    6 
-    930000      186000.00      27.636     -32.148      -4.512   4.49 0.214 0.750 0.345 1.397     250.731     300.000       7.313    6 
-    940000      188000.00      26.347     -32.180      -5.833   4.25 0.214 0.625 0.352 2.258     239.030     300.000       7.440    6 
-    950000      190000.00      33.870     -32.368       1.502   3.98 0.429 0.400 0.332 3.651     307.284     300.000       7.236    6 
-    960000      192000.00      31.646     -21.965       9.680  10.23 0.286 0.429 0.162 1.970     287.108     300.000      12.484    6 
-    970000      194000.00      32.241     -15.501      16.740   6.13 0.000 1.000 0.205 1.622     292.506     300.000       8.989    6 
-    980000      196000.00      26.016     -29.853      -3.837   5.47 0.357 0.583 0.299 2.506     236.034     300.000       6.779    6 
-    990000      198000.00      27.758     -22.925       4.834   7.47 0.214 0.750 0.303 1.531     251.839     300.000       6.930    6 
-   1000000      200000.00      29.268     -28.095       1.172   5.02 0.286 0.556 0.298 1.190     265.531     300.000       7.073    6 
+     10000        2000.00      26.454     -11.779      14.675   5.71 0.071 0.800 0.473 1.973     240.005     300.000       8.668    6 
+     20000        4000.00      31.656     -15.556      16.099   4.85 0.000 1.000 0.236 1.708     287.198     300.000       7.757    6 
+     30000        6000.00      28.082     -42.396     -14.314   3.37 0.214 0.727 0.277 0.699     254.776     300.000       6.859    6 
+     40000        8000.00      31.771     -39.546      -7.775   3.07 0.357 0.643 0.279 1.656     288.239     300.000       6.759    6 
+     50000       10000.00      19.219     -32.252     -13.033   3.05 0.429 0.571 0.260 1.231     174.368     300.000       6.798    6 
+     60000       12000.00      36.497     -24.822      11.675   4.64 0.214 0.625 0.256 2.049     331.119     300.000       8.064    6 
+     70000       14000.00      29.134     -16.891      12.243   5.64 0.143 0.667 0.311 3.181     264.316     300.000       7.766    6 
+     80000       16000.00      36.429     -35.029       1.400   4.34 0.214 0.625 0.244 2.226     330.502     300.000       7.598    6 
+     90000       18000.00      28.308     -38.240      -9.932   4.14 0.143 0.846 0.423 1.776     256.828     300.000       7.345    6 
+    100000       20000.00      26.621     -25.412       1.208   9.67 0.286 0.333 0.152 1.304     241.517     300.000      12.738    6 
+    110000       22000.00      27.000     -15.267      11.734   4.04 0.143 0.833 0.208 1.401     244.961     300.000       7.538    6 
+    120000       24000.00      26.626     -30.240      -3.613   3.33 0.357 0.545 0.223 2.136     241.569     300.000       6.899    6 
+    130000       26000.00      29.710     -26.554       3.155   6.17 0.286 0.333 0.167 1.179     269.543     300.000       9.857    6 
+    140000       28000.00      30.054     -28.265       1.790   3.37 0.286 0.500 0.222 2.258     272.669     300.000       7.192    6 
+    150000       30000.00      23.515     -33.785     -10.269   6.79 0.286 0.556 0.167 1.142     213.344     300.000       8.441    6 
+    160000       32000.00      32.423     -36.046      -3.624   5.50 0.143 0.846 0.381 2.178     294.154     300.000       6.661    6 
+    170000       34000.00      29.613     -37.226      -7.613   3.46 0.214 0.750 0.379 1.380     268.665     300.000       6.566    6 
+    180000       36000.00      26.130     -34.094      -7.964   4.22 0.214 0.700 0.359 1.514     237.064     300.000       7.217    6 
+    190000       38000.00      26.011     -26.538      -0.527   4.10 0.286 0.692 0.287 1.187     235.985     300.000       7.519    6 
+    200000       40000.00      29.735     -34.673      -4.938   4.75 0.214 0.700 0.414 0.997     269.774     300.000       6.918    6 
+    210000       42000.00      24.965     -12.792      12.173   4.93 0.143 0.667 0.402 2.064     226.496     300.000       7.700    6 
+    220000       44000.00      30.549     -18.738      11.812   6.87 0.214 0.500 0.182 3.210     277.160     300.000       7.937    6 
+    230000       46000.00      28.123     -32.804      -4.681   4.22 0.214 0.727 0.285 1.169     255.145     300.000       7.140    6 
+    240000       48000.00      34.263     -22.333      11.930   3.26 0.071 0.800 0.227 1.708     310.849     300.000       8.086    6 
+    250000       50000.00      35.342     -33.253       2.088   4.33 0.286 0.636 0.178 1.001     320.638     300.000       6.796    6 
+    260000       52000.00      26.729     -40.247     -13.517   4.49 0.214 0.727 0.397 2.189     242.502     300.000       6.639    6 
+    270000       54000.00      28.237     -25.631       2.606   5.40 0.143 0.800 0.295 1.770     256.182     300.000       8.427    6 
+    280000       56000.00      30.262     -29.054       1.208   4.07 0.286 0.556 0.303 1.953     274.550     300.000       7.682    6 
+    290000       58000.00      33.998     -23.366      10.631   4.85 0.286 0.667 0.314 2.369     308.445     300.000       6.995    6 
+    300000       60000.00      25.533     -33.034      -7.501   4.77 0.071 0.875 0.182 1.152     231.644     300.000       8.323    6 
+    310000       62000.00      26.497     -33.427      -6.930   4.71 0.357 0.615 0.273 1.761     240.396     300.000       6.481    6 
+    320000       64000.00      27.254     -25.695       1.559   4.88 0.214 0.700 0.245 2.262     247.262     300.000       7.380    6 
+    330000       66000.00      25.293     -26.360      -1.067   4.98 0.143 0.750 0.210 1.658     229.468     300.000       6.810    6 
+    340000       68000.00      32.328     -16.386      15.942   4.03 0.357 0.444 0.192 1.832     293.300     300.000       8.049    6 
+    350000       70000.00      36.788     -28.046       8.742   4.79 0.214 0.700 0.282 1.252     333.763     300.000       7.237    6 
+    360000       72000.00      23.350     -26.339      -2.989   4.78 0.429 0.625 0.278 1.797     211.839     300.000       6.940    6 
+    370000       74000.00      27.206     -31.811      -4.605   4.47 0.214 0.727 0.438 1.572     246.825     300.000       7.562    6 
+    380000       76000.00      28.694     -16.310      12.384   6.83 0.214 0.250 0.193 1.868     260.323     300.000       8.478    6 
+    390000       78000.00      25.838     -23.474       2.363   4.28 0.071 0.875 0.290 1.432     234.414     300.000       7.037    6 
+    400000       80000.00      25.132     -29.245      -4.113   3.62 0.286 0.636 0.322 1.468     228.012     300.000       7.087    6 
+    410000       82000.00      24.815     -24.458       0.357   5.31 0.143 0.833 0.330 1.734     225.134     300.000       6.895    6 
+    420000       84000.00      28.485     -36.019      -7.534   3.92 0.500 0.588 0.329 1.398     258.429     300.000       6.559    6 
+    430000       86000.00      26.919     -31.638      -4.718   3.28 0.286 0.556 0.263 1.071     244.224     300.000       6.935    6 
+    440000       88000.00      26.070     -30.387      -4.317   4.36 0.286 0.556 0.338 1.181     236.516     300.000       6.669    6 
+    450000       90000.00      32.297     -39.728      -7.431   3.89 0.357 0.444 0.318 2.230     293.014     300.000       7.820    6 
+    460000       92000.00      28.950     -33.847      -4.896   6.04 0.214 0.571 0.247 1.223     262.654     300.000       7.463    6 
+    470000       94000.00      29.821     -26.441       3.380   6.16 0.214 0.786 0.260 1.768     270.548     300.000       7.212    6 
+    480000       96000.00      29.752     -38.787      -9.035   4.17 0.357 0.375 0.239 0.999     269.924     300.000       6.895    6 
+    490000       98000.00      24.979     -21.444       3.535   4.20 0.143 0.500 0.216 2.207     226.622     300.000       8.346    6 
+    500000      100000.00      41.892     -17.147      24.746   5.84 0.143 0.500 0.250 1.542     380.069     300.000       8.903    6 
+    510000      102000.00      30.120     -14.421      15.700   6.13 0.000 1.000 0.250 0.636     273.267     300.000      10.228    6 
+    520000      104000.00      23.972     -35.582     -11.610   4.17 0.286 0.600 0.486 2.007     217.488     300.000       7.065    6 
+    530000      106000.00      30.955     -24.933       6.022   2.84 0.357 0.545 0.244 1.088     280.838     300.000       7.544    6 
+    540000      108000.00      32.850     -22.212      10.638   6.72 0.071 0.750 0.239 1.053     298.034     300.000       7.707    6 
+    550000      110000.00      30.633     -31.779      -1.147   5.63 0.214 0.667 0.217 3.229     277.915     300.000       7.195    6 
+    560000      112000.00      34.536     -22.540      11.996   4.63 0.071 0.800 0.182 1.212     313.327     300.000       8.309    6 
+    570000      114000.00      40.118     -38.533       1.584   6.57 0.357 0.583 0.193 2.787     363.968     300.000       7.266    6 
+    580000      116000.00      29.505     -26.203       3.302   5.65 0.071 0.857 0.260 1.037     267.686     300.000       7.379    6 
+    590000      118000.00      32.408     -31.525       0.882   4.76 0.214 0.571 0.292 1.654     294.018     300.000       7.681    6 
+    600000      120000.00      35.740     -16.879      18.861   4.23 0.143 0.667 0.447 1.193     324.255     300.000       8.258    6 
+    610000      122000.00      36.844     -24.983      11.861   5.25 0.286 0.556 0.197 2.175     334.269     300.000       8.006    6 
+    620000      124000.00      27.308     -31.599      -4.291   5.01 0.071 0.800 0.273 1.197     247.749     300.000       7.407    6 
+    630000      126000.00      28.063     -36.150      -8.086   5.05 0.286 0.733 0.388 1.523     254.605     300.000       6.735    6 
+    640000      128000.00      27.020     -25.744       1.276   3.75 0.214 0.571 0.325 4.001     245.138     300.000       7.635    6 
+    650000      130000.00      30.296     -20.686       9.609   3.46 0.286 0.600 0.200 1.416     274.857     300.000       7.738    6 
+    660000      132000.00      46.999     -38.233       8.766   5.69 0.143 0.600 0.182 1.278     426.402     300.000       7.448    6 
+    670000      134000.00      26.084     -43.321     -17.237   4.53 0.214 0.750 0.326 0.988     236.648     300.000       7.553    6 
+    680000      136000.00      21.750     -18.362       3.388   4.79 0.286 0.500 0.170 1.580     197.326     300.000       7.034    6 
+    690000      138000.00      35.765     -22.323      13.442   5.38 0.214 0.727 0.277 2.721     324.479     300.000       7.221    6 
+    700000      140000.00      30.326     -36.705      -6.379   5.28 0.357 0.615 0.308 0.766     275.137     300.000       6.636    6 
+    710000      142000.00      25.987     -28.198      -2.211   5.20 0.143 0.750 0.256 1.072     235.768     300.000       7.444    6 
+    720000      144000.00      25.581     -38.159     -12.578   5.50 0.143 0.750 0.244 1.600     232.086     300.000       7.206    6 
+    730000      146000.00      27.534     -21.085       6.450   6.80 0.000 1.000 0.300 2.349     249.805     300.000       8.264    6 
+    740000      148000.00      27.682     -22.121       5.562   4.56 0.000 1.000 0.355 0.990     251.146     300.000       6.994    6 
+    750000      150000.00      32.996     -16.937      16.059   7.53 0.071 0.500 0.159 1.142     299.357     300.000      10.542    6 
+    760000      152000.00      25.172     -23.268       1.905   5.31 0.286 0.733 0.291 2.346     228.375     300.000       6.861    6 
+    770000      154000.00      31.457     -35.626      -4.170   5.11 0.214 0.571 0.266 2.633     285.390     300.000       7.503    6 
+    780000      156000.00      29.847     -29.233       0.615   3.76 0.286 0.600 0.300 2.059     270.792     300.000       7.230    6 
+    790000      158000.00      31.446     -40.728      -9.282   5.15 0.143 0.818 0.260 1.344     285.295     300.000       6.968    6 
+    800000      160000.00      29.628     -24.693       4.934   3.92 0.286 0.556 0.455 3.179     268.798     300.000       7.117    6 
+    810000      162000.00      24.060     -30.617      -6.556   4.25 0.143 0.800 0.368 0.815     218.289     300.000       6.927    6 
+    820000      164000.00      24.673     -35.970     -11.297   5.47 0.143 0.778 0.414 1.710     223.851     300.000       6.719    6 
+    830000      166000.00      33.772     -36.916      -3.145   4.65 0.214 0.727 0.430 1.873     306.395     300.000       6.998    6 
+    840000      168000.00      30.229     -37.817      -7.588   4.96 0.286 0.765 0.412 1.839     274.257     300.000       6.948    6 
+    850000      170000.00      24.273     -14.715       9.558   5.73 0.286 0.000 0.148 2.051     220.219     300.000       9.857    6 
+    860000      172000.00      24.327      -9.216      15.111   4.65 0.214 0.000 0.152 2.062     220.706     300.000       9.597    6 
+    870000      174000.00      31.875     -34.288      -2.413   3.40 0.286 0.667 0.322 2.035     289.188     300.000       7.024    6 
+    880000      176000.00      26.104     -31.059      -4.955   4.14 0.286 0.750 0.361 1.332     236.828     300.000       6.669    6 
+    890000      178000.00      29.477     -35.170      -5.694   3.80 0.357 0.583 0.326 1.608     267.426     300.000       6.607    6 
+    900000      180000.00      28.919     -28.924      -0.005   3.52 0.286 0.750 0.290 3.415     262.372     300.000       6.734    6 
+    910000      182000.00      34.977     -32.085       2.892   4.53 0.214 0.667 0.369 1.061     317.326     300.000       7.322    6 
+    920000      184000.00      31.059     -26.620       4.439   3.53 0.214 0.667 0.318 1.726     281.779     300.000       6.847    6 
+    930000      186000.00      24.502     -34.341      -9.838   3.35 0.571 0.333 0.352 1.085     222.298     300.000       7.022    6 
+    940000      188000.00      29.447     -29.594      -0.147   3.21 0.357 0.444 0.162 1.771     267.161     300.000       7.034    6 
+    950000      190000.00      32.086     -26.135       5.951   3.50 0.429 0.571 0.208 1.673     291.103     300.000       7.083    6 
+    960000      192000.00      34.817     -28.542       6.275   3.49 0.214 0.667 0.202 1.163     315.877     300.000       7.412    6 
+    970000      194000.00      31.230     -31.875      -0.645   3.76 0.357 0.615 0.311 1.411     283.334     300.000       6.767    6 
+    980000      196000.00      24.204     -25.781      -1.577   4.82 0.143 0.714 0.149 3.650     219.588     300.000       7.349    6 
+    990000      198000.00      30.800     -22.508       8.291   4.81 0.143 0.667 0.258 2.120     279.429     300.000       7.580    6 
+   1000000      200000.00      31.154     -19.158      11.996   5.46 0.143 0.600 0.182 1.104     282.641     300.000       9.277    6 
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB007.stat b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB007.stat
index 6514e70..85fdc2d 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB007.stat
+++ b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB007.stat
@@ -1,101 +1,101 @@
          0           0.00      37.313      24.828      62.141  12.87 0.000   NaN   NaN 0.708     338.523     300.000      15.552    7 
-     10000        2000.00      31.734     -22.438       9.296   3.86 0.214 0.571 0.240 1.677     287.906     300.000       7.612    7 
-     20000        4000.00      31.552     -31.914      -0.362   3.53 0.214 0.700 0.336 2.725     286.256     300.000       7.026    7 
-     30000        6000.00      25.465     -42.347     -16.881   3.36 0.643 0.526 0.368 0.895     231.035     300.000       6.867    7 
-     40000        8000.00      33.161     -18.350      14.811   5.06 0.214 0.625 0.239 0.664     300.851     300.000       7.555    7 
-     50000       10000.00      27.466     -32.431      -4.965   5.56 0.214 0.700 0.364 1.104     249.186     300.000       6.732    7 
-     60000       12000.00      28.246     -28.788      -0.542   5.21 0.286 0.636 0.285 1.042     256.261     300.000       6.764    7 
-     70000       14000.00      23.150     -27.724      -4.574   5.15 0.214 0.700 0.300 1.357     210.030     300.000       7.202    7 
-     80000       16000.00      34.645     -32.271       2.374   4.35 0.071 0.889 0.242 0.980     314.315     300.000       7.134    7 
-     90000       18000.00      28.671     -30.107      -1.436   4.55 0.286 0.692 0.308 1.214     260.117     300.000       8.000    7 
-    100000       20000.00      31.755     -29.218       2.537   3.76 0.143 0.833 0.265 1.650     288.098     300.000       7.283    7 
-    110000       22000.00      32.357     -32.008       0.349   4.00 0.286 0.556 0.253 1.449     293.561     300.000       6.878    7 
-    120000       24000.00      29.173     -31.914      -2.741   3.61 0.357 0.375 0.460 1.574     264.674     300.000       7.498    7 
-    130000       26000.00      29.952     -33.685      -3.733   4.23 0.286 0.667 0.367 2.176     271.738     300.000       6.854    7 
-    140000       28000.00      34.044     -43.622      -9.578   4.02 0.357 0.750 0.448 1.878     308.867     300.000       6.469    7 
-    150000       30000.00      25.187     -30.990      -5.803   1.46 0.500 0.364 0.178 1.749     228.512     300.000       6.822    7 
-    160000       32000.00      22.099     -44.840     -22.741   3.84 0.357 0.615 0.353 0.814     200.490     300.000       6.558    7 
-    170000       34000.00      25.836     -27.417      -1.581   5.10 0.214 0.769 0.238 1.767     234.398     300.000       7.205    7 
-    180000       36000.00      33.244     -25.007       8.238   3.62 0.429 0.500 0.375 1.563     301.608     300.000       7.234    7 
-    190000       38000.00      32.159     -26.164       5.995   3.58 0.214 0.700 0.255 0.742     291.761     300.000       7.245    7 
-    200000       40000.00      28.911     -41.368     -12.457   3.76 0.500 0.500 0.383 2.450     262.292     300.000       6.562    7 
-    210000       42000.00      27.566     -26.575       0.991   2.81 0.500 0.462 0.308 2.438     250.092     300.000       6.864    7 
-    220000       44000.00      25.681     -31.989      -6.308   3.33 0.286 0.636 0.252 1.725     232.991     300.000       6.662    7 
-    230000       46000.00      31.079     -24.495       6.583   4.04 0.143 0.778 0.328 2.272     281.961     300.000       7.174    7 
-    240000       48000.00      30.821     -34.732      -3.911   4.91 0.214 0.667 0.253 1.783     279.624     300.000       7.212    7 
-    250000       50000.00      36.461     -14.600      21.861   6.93 0.214 0.625 0.199 1.881     330.790     300.000       7.865    7 
-    260000       52000.00      31.905     -33.952      -2.047   6.18 0.214 0.625 0.250 2.341     289.458     300.000       7.173    7 
-    270000       54000.00      31.773     -21.402      10.371   6.00 0.286 0.667 0.280 2.756     288.259     300.000       6.889    7 
-    280000       56000.00      30.211     -22.892       7.319   5.30 0.214 0.625 0.182 0.897     274.090     300.000       7.780    7 
-    290000       58000.00      39.307     -31.775       7.533   7.11 0.143 0.714 0.266 1.606     356.617     300.000       7.394    7 
-    300000       60000.00      30.643     -25.028       5.615   6.63 0.286 0.429 0.195 1.536     278.008     300.000       8.940    7 
-    310000       62000.00      29.929     -19.063      10.866   7.12 0.143 0.500 0.148 1.577     271.527     300.000      10.250    7 
-    320000       64000.00      28.897     -36.451      -7.555   3.68 0.286 0.636 0.438 1.374     262.166     300.000       6.782    7 
-    330000       66000.00      31.565     -25.578       5.986   3.45 0.357 0.444 0.177 2.968     286.372     300.000       7.790    7 
-    340000       68000.00      30.778     -17.348      13.430   5.42 0.071 0.875 0.432 2.697     279.236     300.000       8.452    7 
-    350000       70000.00      28.830     -40.348     -11.518   5.63 0.143 0.818 0.380 1.122     261.563     300.000       7.088    7 
-    360000       72000.00      35.728     -21.679      14.049   4.23 0.071 0.750 0.455 1.851     324.146     300.000       7.793    7 
-    370000       74000.00      33.415     -44.753     -11.338   5.62 0.214 0.750 0.322 1.314     303.155     300.000       6.727    7 
-    380000       76000.00      43.131     -28.097      15.033   4.81 0.286 0.600 0.268 2.542     391.303     300.000       6.728    7 
-    390000       78000.00      21.113     -38.161     -17.048   6.62 0.214 0.667 0.247 1.586     191.552     300.000       7.031    7 
-    400000       80000.00      28.623     -21.085       7.538   6.69 0.071 0.667 0.182 1.338     259.684     300.000       8.567    7 
-    410000       82000.00      23.097     -36.477     -13.380   3.68 0.286 0.600 0.309 1.464     209.548     300.000       7.070    7 
-    420000       84000.00      27.220     -27.618      -0.398   4.23 0.071 0.857 0.221 1.662     246.955     300.000       7.453    7 
-    430000       86000.00      28.235     -40.582     -12.346   3.98 0.429 0.538 0.437 1.367     256.166     300.000       6.458    7 
-    440000       88000.00      27.462     -36.183      -8.721   2.66 0.357 0.615 0.273 0.899     249.149     300.000       7.358    7 
-    450000       90000.00      27.535     -29.186      -1.651   4.41 0.286 0.636 0.368 1.665     249.811     300.000       6.714    7 
-    460000       92000.00      31.480     -45.774     -14.294   4.20 0.143 0.846 0.371 1.580     285.600     300.000       6.629    7 
-    470000       94000.00      27.948     -31.596      -3.648   7.25 0.214 0.700 0.214 1.132     253.562     300.000       7.365    7 
-    480000       96000.00      25.451     -17.793       7.658   6.99 0.000 1.000 0.245 1.708     230.907     300.000       8.349    7 
-    490000       98000.00      32.406     -28.849       3.557   5.03 0.143 0.714 0.221 1.262     294.007     300.000       7.970    7 
-    500000      100000.00      30.671     -26.688       3.982   6.83 0.214 0.571 0.188 1.384     278.259     300.000       8.112    7 
-    510000      102000.00      31.904     -34.580      -2.677   6.99 0.357 0.583 0.189 1.571     289.445     300.000       7.995    7 
-    520000      104000.00      34.498     -29.970       4.528   4.88 0.071 0.900 0.314 1.228     312.986     300.000       7.251    7 
-    530000      106000.00      28.381     -31.761      -3.380   3.94 0.286 0.500 0.324 1.250     257.491     300.000       7.026    7 
-    540000      108000.00      29.909     -26.942       2.967   3.75 0.357 0.444 0.359 2.016     271.351     300.000       7.482    7 
-    550000      110000.00      25.342     -17.849       7.494   7.31 0.143 0.500 0.182 1.177     229.918     300.000      10.962    7 
-    560000      112000.00      21.198     -20.479       0.719   4.66 0.143 0.714 0.351 2.480     192.323     300.000       8.770    7 
-    570000      114000.00      29.544     -36.022      -6.478   3.93 0.071 0.889 0.283 2.455     268.043     300.000       7.388    7 
-    580000      116000.00      32.176     -26.230       5.947   4.97 0.286 0.500 0.290 1.983     291.920     300.000       7.209    7 
-    590000      118000.00      30.361     -26.713       3.648   6.18 0.143 0.778 0.212 1.284     275.452     300.000       7.492    7 
-    600000      120000.00      39.322     -27.182      12.140   6.24 0.071 0.833 0.364 3.978     356.751     300.000       6.697    7 
-    610000      122000.00      32.385     -27.464       4.921   5.77 0.214 0.625 0.250 1.854     293.814     300.000       7.271    7 
-    620000      124000.00      26.798     -31.424      -4.626   5.33 0.286 0.600 0.245 1.260     243.125     300.000       7.214    7 
-    630000      126000.00      25.421     -31.671      -6.249   6.52 0.286 0.692 0.294 1.543     230.634     300.000       6.762    7 
-    640000      128000.00      28.919     -22.444       6.476   5.63 0.143 0.750 0.188 1.480     262.372     300.000       8.493    7 
-    650000      130000.00      38.954     -30.265       8.688   2.77 0.429 0.600 0.300 2.022     353.407     300.000       6.576    7 
-    660000      132000.00      29.216     -24.952       4.264   3.50 0.357 0.643 0.390 2.263     265.063     300.000       6.600    7 
-    670000      134000.00      30.278     -17.103      13.175   6.95 0.071 0.800 0.255 1.447     274.694     300.000       9.332    7 
-    680000      136000.00      28.083     -20.163       7.920   7.15 0.071 0.750 0.216 1.458     254.785     300.000       9.276    7 
-    690000      138000.00      33.037      -7.275      25.762   5.39 0.143 0.500 0.193 0.699     299.733     300.000       9.108    7 
-    700000      140000.00      26.964     -24.278       2.685   5.32 0.214 0.727 0.426 2.115     244.629     300.000       6.788    7 
-    710000      142000.00      31.709     -20.450      11.259   4.82 0.071 0.909 0.256 1.511     287.680     300.000       7.180    7 
-    720000      144000.00      28.307     -20.172       8.135   3.74 0.286 0.556 0.182 1.010     256.811     300.000       7.946    7 
-    730000      146000.00      32.874     -13.587      19.287   6.16 0.000 1.000 0.182 0.938     298.250     300.000       8.898    7 
-    740000      148000.00      34.063     -22.216      11.847   4.60 0.214 0.571 0.481 2.176     309.039     300.000       7.971    7 
-    750000      150000.00      28.208     -26.015       2.193   6.12 0.143 0.750 0.352 1.132     255.918     300.000       7.739    7 
-    760000      152000.00      27.008     -24.099       2.908   7.00 0.071 0.875 0.318 1.205     245.028     300.000       7.876    7 
-    770000      154000.00      26.652     -11.077      15.575   4.89 0.286 0.600 0.391 1.789     241.799     300.000       7.319    7 
-    780000      156000.00      27.752     -10.780      16.972   4.98 0.071 0.833 0.273 1.999     251.777     300.000       8.141    7 
-    790000      158000.00      21.275     -36.571     -15.296   4.89 0.214 0.727 0.388 1.102     193.017     300.000       6.890    7 
-    800000      160000.00      31.007     -28.799       2.208   2.34 0.500 0.364 0.219 1.686     281.314     300.000       7.570    7 
-    810000      162000.00      26.219     -33.696      -7.477   3.03 0.429 0.538 0.269 2.388     237.871     300.000       6.686    7 
-    820000      164000.00      36.488     -24.355      12.132   5.13 0.214 0.500 0.174 1.025     331.036     300.000       8.300    7 
-    830000      166000.00      30.430     -37.774      -7.343   2.72 0.429 0.500 0.261 2.417     276.080     300.000       7.134    7 
-    840000      168000.00      32.330     -32.272       0.058   7.52 0.357 0.444 0.222 2.866     293.319     300.000       7.525    7 
-    850000      170000.00      32.316     -22.928       9.389   3.85 0.071 0.800 0.218 0.936     293.192     300.000       8.150    7 
-    860000      172000.00      27.255     -15.852      11.403   3.81 0.214 0.400 0.491 2.261     247.274     300.000       8.077    7 
-    870000      174000.00      38.512     -29.167       9.345   4.85 0.143 0.714 0.266 3.289     349.397     300.000       7.622    7 
-    880000      176000.00      34.464     -26.925       7.539   4.03 0.357 0.500 0.232 1.761     312.673     300.000       7.749    7 
-    890000      178000.00      26.689     -27.521      -0.831   4.92 0.071 0.833 0.341 2.359     242.139     300.000       7.583    7 
-    900000      180000.00      36.995     -26.149      10.846   6.43 0.143 0.333 0.212 1.682     335.637     300.000      10.183    7 
-    910000      182000.00      33.818     -17.895      15.923   2.55 0.429 0.500 0.265 1.651     306.814     300.000       7.069    7 
-    920000      184000.00      27.006     -36.821      -9.815   4.10 0.357 0.643 0.341 1.117     245.009     300.000       6.735    7 
-    930000      186000.00      22.732     -25.929      -3.198   4.15 0.214 0.571 0.240 1.362     206.235     300.000       7.692    7 
-    940000      188000.00      28.103     -18.658       9.446   5.03 0.071 0.800 0.400 3.178     254.967     300.000       7.937    7 
-    950000      190000.00      30.384     -32.775      -2.392   3.27 0.286 0.600 0.300 2.380     275.655     300.000       7.351    7 
-    960000      192000.00      27.709     -16.514      11.195   3.79 0.286 0.600 0.236 1.667     251.386     300.000       7.097    7 
-    970000      194000.00      20.919     -40.051     -19.132   4.35 0.357 0.643 0.416 1.662     189.788     300.000       6.739    7 
-    980000      196000.00      29.107     -30.096      -0.989   7.13 0.286 0.636 0.256 1.451     264.074     300.000       7.943    7 
-    990000      198000.00      27.797     -20.339       7.459   6.81 0.214 0.400 0.200 3.570     252.192     300.000       8.802    7 
-   1000000      200000.00      29.663     -23.563       6.100   5.08 0.286 0.429 0.175 2.741     269.121     300.000       7.615    7 
+     10000        2000.00      32.723     -17.239      15.484   6.18 0.000 1.000 0.330 1.454     296.878     300.000       7.515    7 
+     20000        4000.00      30.085     -30.912      -0.827   5.78 0.000 1.000 0.391 1.308     272.947     300.000       7.597    7 
+     30000        6000.00      24.611     -26.777      -2.166   5.63 0.071 0.833 0.318 1.791     223.283     300.000       7.526    7 
+     40000        8000.00      31.863     -20.136      11.727   6.79 0.143 0.667 0.182 0.790     289.074     300.000       9.956    7 
+     50000       10000.00      27.211     -40.999     -13.788   4.15 0.143 0.800 0.455 1.871     246.873     300.000       6.671    7 
+     60000       12000.00      32.485     -30.619       1.866   4.28 0.214 0.727 0.227 0.919     294.720     300.000       7.451    7 
+     70000       14000.00      27.416     -45.697     -18.281   4.27 0.357 0.615 0.357 1.209     248.731     300.000       7.245    7 
+     80000       16000.00      38.759     -30.531       8.229   4.57 0.214 0.786 0.396 1.809     351.645     300.000       6.783    7 
+     90000       18000.00      27.402     -23.038       4.364   4.97 0.143 0.778 0.364 0.533     248.605     300.000       6.792    7 
+    100000       20000.00      31.990     -19.155      12.835   6.16 0.143 0.750 0.330 2.067     290.226     300.000       7.567    7 
+    110000       22000.00      33.678     -28.052       5.625   4.61 0.286 0.500 0.375 1.380     305.543     300.000       8.098    7 
+    120000       24000.00      27.533     -23.971       3.562   5.04 0.143 0.714 0.266 2.140     249.790     300.000       7.678    7 
+    130000       26000.00      26.492     -31.370      -4.879   4.70 0.214 0.500 0.227 1.615     240.346     300.000       7.463    7 
+    140000       28000.00      30.737     -29.134       1.603   4.62 0.143 0.833 0.261 1.123     278.863     300.000       7.605    7 
+    150000       30000.00      30.035     -32.284      -2.249   4.38 0.143 0.778 0.424 1.228     272.489     300.000       7.708    7 
+    160000       32000.00      23.549     -29.830      -6.281   4.54 0.000 1.000 0.290 1.102     213.653     300.000       7.083    7 
+    170000       34000.00      22.773     -42.806     -20.033   5.04 0.143 0.750 0.301 2.292     206.606     300.000       7.104    7 
+    180000       36000.00      31.761     -30.413       1.348   4.94 0.214 0.571 0.188 2.283     288.150     300.000       7.324    7 
+    190000       38000.00      27.905     -10.659      17.245   8.85 0.143 0.500 0.159 0.875     253.167     300.000      11.825    7 
+    200000       40000.00      29.845     -21.616       8.228   5.55 0.143 0.600 0.209 1.893     270.766     300.000       9.383    7 
+    210000       42000.00      26.788      -9.796      16.993   6.61 0.143 0.818 0.347 4.144     243.037     300.000       6.950    7 
+    220000       44000.00      26.329     -36.412     -10.082   4.89 0.286 0.556 0.303 1.365     238.875     300.000       7.876    7 
+    230000       46000.00      27.535     -24.984       2.551   4.74 0.286 0.667 0.269 1.568     249.814     300.000       7.174    7 
+    240000       48000.00      25.715     -34.877      -9.163   4.11 0.357 0.583 0.307 1.721     233.296     300.000       7.273    7 
+    250000       50000.00      42.140     -32.296       9.844   4.25 0.286 0.556 0.227 1.357     382.313     300.000       7.385    7 
+    260000       52000.00      35.009     -25.783       9.227   4.70 0.286 0.556 0.424 1.921     317.622     300.000       7.566    7 
+    270000       54000.00      32.289     -33.400      -1.111   4.52 0.214 0.625 0.568 2.139     292.944     300.000       7.032    7 
+    280000       56000.00      25.538     -21.600       3.938   6.19 0.143 0.800 0.300 2.526     231.697     300.000       7.362    7 
+    290000       58000.00      37.486     -15.384      22.102   7.63 0.286 0.500 0.176 2.186     340.090     300.000      10.745    7 
+    300000       60000.00      33.231     -38.845      -5.614   6.17 0.286 0.636 0.227 0.953     301.488     300.000       7.963    7 
+    310000       62000.00      25.956     -17.671       8.285   6.19 0.143 0.667 0.167 1.735     235.487     300.000      10.705    7 
+    320000       64000.00      25.075     -25.703      -0.628   3.94 0.214 0.769 0.395 2.725     227.492     300.000       7.435    7 
+    330000       66000.00      32.638     -32.645      -0.006   4.27 0.143 0.800 0.409 1.325     296.113     300.000       7.496    7 
+    340000       68000.00      33.623     -27.855       5.768   5.09 0.143 0.500 0.295 1.346     305.044     300.000       8.357    7 
+    350000       70000.00      25.445     -27.734      -2.289   5.67 0.143 0.750 0.341 1.512     230.848     300.000       7.305    7 
+    360000       72000.00      34.924     -21.151      13.773   6.13 0.143 0.667 0.258 2.445     316.850     300.000       9.279    7 
+    370000       74000.00      33.171     -22.732      10.439   5.97 0.286 0.429 0.182 2.240     300.941     300.000       8.616    7 
+    380000       76000.00      44.723     -24.644      20.079   3.44 0.214 0.700 0.191 1.451     405.750     300.000       7.391    7 
+    390000       78000.00      19.310     -29.518     -10.208   2.29 0.214 0.571 0.370 1.081     175.188     300.000       7.349    7 
+    400000       80000.00      27.798     -26.817       0.981   1.94 0.214 0.625 0.244 1.234     252.196     300.000       7.458    7 
+    410000       82000.00      27.005     -24.338       2.667   6.56 0.214 0.250 0.159 1.573     245.005     300.000      10.152    7 
+    420000       84000.00      23.007     -34.930     -11.924   4.94 0.286 0.556 0.232 1.883     208.730     300.000       7.191    7 
+    430000       86000.00      30.977     -31.862      -0.885   6.08 0.214 0.786 0.256 0.846     281.040     300.000       7.276    7 
+    440000       88000.00      31.364     -31.466      -0.102   5.11 0.071 0.833 0.182 2.527     284.555     300.000       8.312    7 
+    450000       90000.00      24.414     -25.495      -1.082   6.21 0.214 0.769 0.287 1.317     221.494     300.000       6.769    7 
+    460000       92000.00      28.625     -30.434      -1.809   5.53 0.143 0.500 0.148 0.782     259.697     300.000       8.886    7 
+    470000       94000.00      24.863     -29.015      -4.152   5.22 0.357 0.583 0.197 1.329     225.567     300.000       7.035    7 
+    480000       96000.00      31.112     -39.971      -8.860   5.90 0.214 0.667 0.197 2.424     282.262     300.000       7.560    7 
+    490000       98000.00      30.795     -34.351      -3.556   5.08 0.214 0.500 0.174 2.181     279.392     300.000       7.131    7 
+    500000      100000.00      27.983     -28.307      -0.324   5.26 0.214 0.500 0.159 1.643     253.878     300.000       7.643    7 
+    510000      102000.00      33.181     -18.593      14.588   4.92 0.286 0.556 0.242 0.901     301.036     300.000       7.395    7 
+    520000      104000.00      30.258     -25.756       4.502   5.55 0.214 0.727 0.273 1.719     274.517     300.000       7.341    7 
+    530000      106000.00      31.103     -28.917       2.186   5.63 0.143 0.778 0.308 2.727     282.182     300.000       6.854    7 
+    540000      108000.00      24.166     -24.104       0.063   5.18 0.214 0.571 0.305 2.408     219.251     300.000       7.800    7 
+    550000      110000.00      26.080     -40.503     -14.423   6.12 0.143 0.818 0.248 2.131     236.609     300.000       7.048    7 
+    560000      112000.00      22.891      -8.950      13.941   6.91 0.071 0.750 0.182 1.780     207.676     300.000      11.296    7 
+    570000      114000.00      32.361     -35.558      -3.198   5.81 0.143 0.800 0.359 2.173     293.592     300.000       6.830    7 
+    580000      116000.00      32.491     -19.916      12.575   5.15 0.000 1.000 0.280 2.005     294.775     300.000       7.428    7 
+    590000      118000.00      29.429     -33.696      -4.267   5.47 0.214 0.667 0.288 0.837     266.999     300.000       7.368    7 
+    600000      120000.00      45.678     -31.839      13.839   4.68 0.214 0.727 0.322 2.058     414.419     300.000       7.196    7 
+    610000      122000.00      30.236     -35.901      -5.665   4.76 0.214 0.700 0.236 1.633     274.317     300.000       6.984    7 
+    620000      124000.00      29.408     -28.503       0.905   4.84 0.071 0.750 0.193 1.132     266.801     300.000       7.793    7 
+    630000      126000.00      26.079     -24.419       1.660   5.17 0.214 0.571 0.247 1.776     236.605     300.000       7.105    7 
+    640000      128000.00      28.195     -28.667      -0.472   5.75 0.071 0.857 0.260 1.000     255.801     300.000       7.162    7 
+    650000      130000.00      38.458     -31.518       6.940   4.12 0.357 0.375 0.199 1.165     348.910     300.000       7.889    7 
+    660000      132000.00      33.225     -19.320      13.905   6.54 0.143 0.600 0.336 2.510     301.430     300.000       7.315    7 
+    670000      134000.00      31.566     -36.069      -4.502   2.09 0.429 0.538 0.322 1.680     286.388     300.000       7.320    7 
+    680000      136000.00      31.427     -29.119       2.309   7.02 0.071 0.875 0.233 0.984     285.125     300.000       8.480    7 
+    690000      138000.00      30.478     -23.127       7.351   5.93 0.286 0.500 0.205 1.387     276.515     300.000       8.302    7 
+    700000      140000.00      31.979     -24.226       7.753   5.61 0.143 0.600 0.182 1.931     290.127     300.000       8.387    7 
+    710000      142000.00      36.420     -14.222      22.198   4.66 0.143 0.500 0.307 1.212     330.423     300.000       8.004    7 
+    720000      144000.00      28.878     -36.282      -7.405   6.21 0.286 0.667 0.292 1.520     261.992     300.000       7.067    7 
+    730000      146000.00      28.504     -23.575       4.929   5.34 0.071 0.750 0.170 1.386     258.602     300.000       7.753    7 
+    740000      148000.00      34.579     -32.255       2.324   5.31 0.143 0.667 0.212 2.207     313.718     300.000       7.285    7 
+    750000      150000.00      27.544     -32.195      -4.651   4.20 0.000 1.000 0.400 1.667     249.894     300.000       7.708    7 
+    760000      152000.00      32.736     -29.391       3.345   4.26 0.286 0.600 0.232 0.768     296.998     300.000       6.932    7 
+    770000      154000.00      22.657     -32.580      -9.923   4.03 0.357 0.500 0.391 1.831     205.559     300.000       7.025    7 
+    780000      156000.00      32.593     -32.264       0.329   6.07 0.214 0.750 0.284 1.832     295.705     300.000       6.978    7 
+    790000      158000.00      24.614     -40.020     -15.406   4.86 0.071 0.917 0.371 1.356     223.315     300.000       6.955    7 
+    800000      160000.00      27.830     -31.025      -3.195   5.94 0.214 0.750 0.265 1.929     252.485     300.000       7.849    7 
+    810000      162000.00      25.845     -28.031      -2.186   5.36 0.143 0.833 0.413 1.385     234.483     300.000       6.944    7 
+    820000      164000.00      30.590     -28.621       1.969   4.56 0.357 0.643 0.266 0.922     277.527     300.000       6.822    7 
+    830000      166000.00      31.402     -33.907      -2.505   5.31 0.286 0.667 0.277 1.416     284.893     300.000       6.848    7 
+    840000      168000.00      30.469     -22.890       7.579   7.52 0.071 0.909 0.281 1.305     276.427     300.000       7.110    7 
+    850000      170000.00      30.018     -40.409     -10.391   6.11 0.214 0.750 0.322 1.757     272.335     300.000       6.930    7 
+    860000      172000.00      28.042     -38.759     -10.717   4.79 0.214 0.786 0.341 1.792     254.408     300.000       6.979    7 
+    870000      174000.00      30.095     -31.865      -1.770   3.49 0.214 0.625 0.301 2.732     273.034     300.000       7.183    7 
+    880000      176000.00      34.131     -20.378      13.753   3.21 0.429 0.455 0.310 2.720     309.656     300.000       7.551    7 
+    890000      178000.00      26.017     -24.677       1.340   3.08 0.214 0.727 0.223 1.495     236.040     300.000       7.301    7 
+    900000      180000.00      36.384     -26.183      10.202   3.86 0.357 0.545 0.194 1.632     330.097     300.000       7.492    7 
+    910000      182000.00      33.813     -21.810      12.003   4.05 0.214 0.750 0.360 2.199     306.771     300.000       6.623    7 
+    920000      184000.00      26.119     -23.051       3.068   4.20 0.286 0.636 0.256 0.657     236.961     300.000       6.976    7 
+    930000      186000.00      22.483     -28.788      -6.305   4.55 0.357 0.545 0.310 1.029     203.979     300.000       6.861    7 
+    940000      188000.00      28.744     -26.305       2.439   4.67 0.286 0.600 0.368 2.501     260.781     300.000       7.585    7 
+    950000      190000.00      27.608     -25.438       2.170   3.52 0.214 0.625 0.318 0.975     250.479     300.000       7.860    7 
+    960000      192000.00      30.941     -34.788      -3.847   3.79 0.500 0.533 0.361 2.292     280.716     300.000       6.851    7 
+    970000      194000.00      21.826     -33.281     -11.454   4.38 0.143 0.846 0.329 1.029     198.018     300.000       7.298    7 
+    980000      196000.00      34.959     -30.212       4.747   5.87 0.143 0.750 0.301 1.271     317.166     300.000       8.077    7 
+    990000      198000.00      26.924     -21.121       5.804   5.28 0.143 0.800 0.341 1.839     244.269     300.000       6.913    7 
+   1000000      200000.00      30.781     -39.396      -8.615   3.97 0.357 0.667 0.409 1.617     279.265     300.000       7.223    7 
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD000.cx b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD000.cx
index f9ed94a3c310a8757e636d7141f73f6fbb00ff9c..f3548201db824e37d8ed65d058bb0393bc6ca9dd 100644
GIT binary patch
literal 34800
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zFmu+Lxz;-KT6^|>@3@Zi0|4~i#smO=mQ>pRuKs;zk|h-f0H_%T@Z%937}R+Nz%HAC
zK@mp)6d?iR8*Gpd2}~AS$)EvP?*6P~&r6yp`Nfw82kH$zsufntoO#+*FPjpR3p+>a
zs~D&hqi4S{xCx>q_6u>|(93@ukYe4O&kIB3>}XpQAJ<8Gsct#5qx|q?-%R>_q`LPw
zfoZI+&9d~7BT}KCgaCV#GiLvs`2*X4ohV+IG$VDf#W4H12Jx?icv=Df!y%7mP!9lz
zbEJ4=Ng3jxa{Bquj|~qG7&H??cTJ9dM<zLn?5eD(@tfDbu8dKp4qA}@Fd2vNZiVFf
zRey7;Llt>Rv(@|;pU=alaTo@`x1JJ9b**6`K+qC_^YaV?T^m`^luyi($+ckEEcnuM
zkf$||Wz${VG^T=to$_gRc^RSn)t8DY^t2~c7$kqHAApQMgze-dC4|$z>%ZB4g9bkV
zj9`!{9RSBu0S3t>1He%~WWzsf30qd|VWRg@ncwt0cp`>Jy^r0jY8Ppc70_xlhR!qG
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD001.cx b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD001.cx
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD002.cx b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD002.cx
index 99635e6b387235fd515f1e8ddd9020fa1ff7e64d..f9059ba86f2c649d61043ab9924cf06e5b5f2467 100644
GIT binary patch
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD003.cx b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD003.cx
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD004.cx b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD004.cx
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD005.cx b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD005.cx
index c7a18ca57a69dc0b4ff095a9f617db125b915cf4..c1efab991e0175afab86134903de4f6d3dcc68fb 100644
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD006.cx b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD006.cx
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD007.cx b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD007.cx
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diff --git a/examples/unres/new/MD/Berendsen/ff_gab/fort.2 b/examples/unres/new/MD/Berendsen/ff_gab/fort.2
index ffad4df..16b6058 100644
--- a/examples/unres/new/MD/Berendsen/ff_gab/fort.2
+++ b/examples/unres/new/MD/Berendsen/ff_gab/fort.2
@@ -1,5533 +1,5608 @@
 ====================MD calculation start====================
- acceleration/energy drift too large   4.10033794849747     
-   10.3526223621510       split increased to            2  itime         351 
+ acceleration/energy drift too large   5.80049284533530     
+   41.9438981328092       split increased to            2  itime         344 
   itsplit           1
 Momenta zeroed out, time              199.80
- acceleration/energy drift too large   5.93902336614184     
-   29.2671974525199       split increased to            2  itime        1225 
+ acceleration/energy drift too large   7.36946438088041     
+   24.3331985339896       split increased to            2  itime        1264 
   itsplit           1
- acceleration/energy drift too large   6.38022636682350     
-   37.8881434498280       split increased to            2  itime        1406 
+ acceleration/energy drift too large   4.93139403459666     
+   28.2142830636571       split increased to            2  itime        1966 
   itsplit           1
- acceleration/energy drift too large   4.60261491518515     
-   11.7269366494380       split increased to            2  itime        1662 
+Momenta zeroed out, time              399.80
+ acceleration/energy drift too large   4.21478509601312     
+   13.4365378815665       split increased to            2  itime        2104 
   itsplit           1
- acceleration/energy drift too large   5.4996 acceleration/energy drift too large   5.89031155867273     
-   25.3230133573502       split increased to            2  itime        2532 
+ acceleration/energy drift too large   4.40665359597634     
+   10.6431787149889       split increased to            2  itime        2462 
   itsplit           1
-Momenta zeroed out, time              599.80
+ acceleration/energy drift too large   3.9934 acceleration/energy drift too large   7.77776063853935     
+   47.0661191324522       split increased to           Momenta zeroed out, time              599.80
 Momenta zeroed out, time              799.80
- acceleration/energy drift too large   5.12295796801825     
-   16.1929556335697       split increased to            2  itime        4924 
+ acceleration/energy drift too large   6.33262581590904     
+   39.8530521204748       split increased to            2  itime        4807 
   itsplit           1
-Momenta zeroed out, time              999.80
- acceleration/energy drift too large   6.16902779558956     
-   18.2694520592712       split increased to            2  itime        5843 
+ acceleration/energy drift too large   4.12369916700172     
+   13.8256298018814       split increased to            2  itime        4808 
   itsplit           1
+Momenta zeroed out, time              999.80
+ acceleration/energy drift too large   9.12071285987305     
+   33.1150268175743       split increased to           Momenta zeroed out, time              999.80
 Momenta zeroed out, time             1199.80
- acceleration/energy drift too large   2.18890442836208     
-   10.7200219163670       split increased to            2  itime        6442 
+ acceleration/energy drift too large   3.54044426031104     
+   10.8837264800673       split increased to            2  itime        6018 
   itsplit           1
- acceleration/energy drift too large   3.35109445464427     
-   12.1735263334329       split increased to            2  itime        6639 
+ acceleration/energy drift too large   8.60521813211394     
+   18.1154331660768       split increased to           Momenta zeroed out, time             1199.80
+ acceleration/energy drift too large   5.07247372338117     
+   15.6638398497640       split increased to            2  itime        6717 
   itsplit           1
 Momenta zeroed out, time             1399.80
- acceleration/energy drift too large   8.30675524644679     
-   40.1493371768144       split increased to            2  itime        7740 
+ acceleration/energy drift too large   5.89400200898104     
+   13.6528906563846       split increased to            2  itime        7162 
   itsplit           1
- acceleration/energy drift too large   2.04822344253228     
-   10.2319451524522       split increased to            4  itime        7740 
-  itsplit           2
 Momenta zeroed out, time             1599.80
- acceleration/energy drift too large   3.01377892465834     
-   13.9234088469822       split increased to            2  itime        8063 
-  itsplit           1
- acceleration/energy drift too large   5.32837008697344     
-   36.0310562879946       split increased to            2  itime        8535 
-  itsplit           1
- acceleration/energy drift too large   4.49202607553859     
-   18.7243302184150       split increased to            2  itime        8691 
+ acceleration/energy drift too large   4.08559545646819     
+   13.3167667889417       split increased to            2  itime        8824 
   itsplit           1
 Momenta zeroed out, time             1799.80
- acceleration/energy drift too large   5.52304228745067     
-   14.9645703712276       split increased to            2  itime        9101 
-  itsplit           1
- acceleration/energy drift too large   4.73560348142111     
-   16.2793958071984       split increased to            2  itime        9145 
-  itsplit           1
 Velocities reset to random values, time             1999.80
 Momenta zeroed out, time             1999.80
- acceleration/energy drift too large   1.72300785049854     
-   12.3697593723257       split increased to            2  itime       10667 
+ acceleration/energy drift too large   5.65607454781148     
+   18.3218036741137       split increased to            2  itime       10177 
+  itsplit           1
+ acceleration/energy drift too large   12.9963114290537     
+   77.0992280824672       split increased to            2  itime       10534 
   itsplit           1
- acceleration/energy drift too large   3.72866498532398     
-   10.2209909351355       split increased to            2  itime       10997 
+ acceleration/energy drift too large   1.59415045130216     
+   10.4937934288768       split increased to            2  itime       10590 
   itsplit           1
 Momenta zeroed out, time             2199.80
- acceleration/energy drift too large   7.06211716815063     
-   18.3459115327293       split increased to            2  itime       11139 
+ acceleration/energy drift too large   6.54326075678168     
+   21.5142648253759       split increased to            2  itime       11463 
   itsplit           1
- acceleration/energy drift too large   5.73985375509637     
-   18.8459352511477       split increased to            2  itime       11537 
+ acceleration/energy drift too large   5.44603318530490     
+   15.6080717009413       split increased to            2  itime       11481 
   itsplit           1
 Momenta zeroed out, time             2399.80
- acceleration/energy drift too large   5.00947615068860     
-   34.0961643547748       split increased to            2  itime       12416 
-  itsplit           1
- acceleration/energy drift too large   4.59128677862004     
-   25.2383692726857       split increased to            2  itime       12957 
-  itsplit           1
 Momenta zeroed out, time             2599.80
- acceleration/energy drift too large   5.32210155789027     
-   10.8373551337999       split increased to            2  itime       13932 
+ acceleration/energy drift too large   4.51097169712399     
+   17.0561497381826       split increased to            2  itime       13434 
   itsplit           1
 Momenta zeroed out, time             2799.80
- acceleration/energy drift too large   3.95634552168633     
-   12.2387969681066       split increased to            2  itime       14221 
-  itsplit           1
- acceleration/energy drift too large   6.85612166501893     
-   38.8015892009670       split increased to            2  itime       14858 
+ acceleration/energy drift too large   5.19244260666020     
+   11.1118558807831       split increased to            2  itime       14548 
   itsplit           1
 Momenta zeroed out, time             2999.80
- acceleration/energy drift too large   1.99312301074234     
-   12.3610400984553       split increased to            2  itime       15566 
-  itsplit           1
 Momenta zeroed out, time             3199.80
- acceleration/energy drift too large   5.33604736265000     
-   11.6623082654683       split increased to            2  itime       16549 
+ acceleration/energy drift too large   9.20897069334915     
+   39.0093369097065       split increased to            2  itime       16034 
   itsplit           1
-Momenta zeroed out, time             3399.80
- acceleration/energy drift too large   4.25559586546986     
-   26.6649059781152       split increased to            2  itime       17659 
+ acceleration/energy drift too large   8.30063307526318     
+   29.6863516043121       split increased to            2  itime       16418 
   itsplit           1
-Momenta zeroed out, time             3599.80
- acceleration/energy drift too large   4.57386986342718     
-   23.3065406359779       split increased to            2  itime       18194 
+ acceleration/energy drift too large   1.94971197581360     
+   10.8139992796611       split increased to            2  itime       16736 
   itsplit           1
- acceleration/energy drift too large   6.39372773316606     
-   50.1306680809282       split increased to            2  itime       18301 
+ acceleration/energy drift too large   6.50609406141522     
+   25.5077277038327       split increased to            2  itime       16644 
   itsplit           1
- acceleration/energy drift too large   6.76530294599133     
-   25.8136753604656       split increased to            2  itime       18391 
+ acceleration/energy drift too large   3.4269Momenta zeroed out, time             3599.80
+ acceleration/energy drift too large   3.34914785048999     
+   10.8198208714725       split increased to           Momenta zeroed out, time             3599.80
+ acceleration/energy drift too large   5.81845381510555     
+   11.9222110263648       split increased to            2  itime       18325 
   itsplit           1
- acceleration/energy drift too large   4.04765575395872     
-   15.7266404973981       split increased to            2  itime       18392 
+ acceleration/energy drift too large   2.95717441240596     
+   12.4772030166856       split increased to            2  itime       18347 
   itsplit           1
 Momenta zeroed out, time             3799.80
+ acceleration/energy drift too large   7.13864802756569     
+   28.8552348512793       split increased to            2  itime       19503 
+  itsplit           1
 Velocities reset to random values, time             3999.80
 Momenta zeroed out, time             3999.80
- acceleration/energy drift too large   4.68138740661977     
-   22.1085666922672       split increased to            2  itime       20865 
-  itsplit           1
- acceleration/energy drift too large   6.81775889473855     
-   19.6875961425232       split increased to            2  itime       20875 
+ acceleration/energy drift too large   2.91870395945010     
+   17.0928697945783       split increased to            2  itime       20660 
   itsplit           1
 Momenta zeroed out, time             4199.80
- acceleration/energy drift too large   4.14922006196666     
-   15.6765534073643       split increased to            2  itime       21504 
+ acceleration/energy drift too large   2.22139887748118     
+   14.8038119821382       split increased to            2  itime       21447 
   itsplit           1
 Momenta zeroed out, time             4399.80
- acceleration/energy drift too large   11.6223746414870     
-   57.3186096940212       split increased to            2  itime       22979 
+ acceleration/energy drift too large   7.04945507882165     
+   32.1002221475484       split increased to            2  itime       22058 
   itsplit           1
- acceleration/energy drift too large   2.35972962632422     
-   10.0659713178761       split increased to            4  itime       22979 
-  itsplit           2
 Momenta zeroed out, time             4599.80
- acceleration/energy drift too large   3.77223630906818     
-   10.9340080281542       split increased to            2  itime       23923 
+ acceleration/energy drift too large   4.91011524189147     
+   23.2868573788444       split increased to            2  itime       23921 
   itsplit           1
 Momenta zeroed out, time             4799.80
 Momenta zeroed out, time             4999.80
- acceleration/energy drift too large   4.63481811868680     
-   14.5897375227160       split increased to            2  itime       25014 
-  itsplit           1
- acceleration/energy drift too large   7.00930199634363     
-   19.4104277789935       split increased to            2  itime       25227 
+ acceleration/energy drift too large   6.68400676712189     
+   53.2058433006667       split increased to            2  itime       25055 
   itsplit           1
- acceleration/energy drift too large   4.82125226978001     
-   14.3585118613548       split increased to            2  itime       25324 
+ acceleration/energy drift too large   2.29431494964544     
+   12.0753698890409       split increased to            2  itime       25194 
   itsplit           1
- acceleration/energy drift too large   8.18257314576369     
-   28.7264466936366       split increased to            2  itime       25585 
+ acceleration/energy drift too large   9.37000001098842     
+   45.5395993005362       split increased to            2  itime       25482 
   itsplit           1
- acceleration/energy drift too large   3.21305443333620     
-   10.1876505219928       split increased to            2  itime       25780 
-  itsplit           1
- acceleration/energy drift too large   4.45401330886573     
-   23.4043812752963       split increased to            2  itime       25814 
+ acceleration/energy drift too large   4.73452417031132     
+   11.5397437219105       split increased to            2  itime       25828 
   itsplit           1
 Momenta zeroed out, time             5199.80
- acceleration/energy drift too large   3.78577105270017     
-   18.2768188261530       split increased to            2  itime       26266 
+ acceleration/energy drift too large   3.42850868338433     
+   14.5688100715124       split increased to            2  itime       26068 
+  itsplit           1
+ acceleration/energy drift too large   2.29892045238884     
+   14.9401538357732       split increased to            2  itime       26855 
   itsplit           1
- acceleration/energy drift too large   3.90118751605593     
-   17.9726572073915       split increased to            2  itime       26640 
+ acceleration/energy drift too large   2.38334125305713     
+   13.5147651865354       split increased to            2  itime       26975 
   itsplit           1
 Momenta zeroed out, time             5399.80
-Momenta zeroed out, time             5599.80
- acceleration/energy drift too large   7.52793288119559     
-   27.6810201612892       split increased to            2  itime       28443 
+ acceleration/energy drift too large   9.29909061358667     
+   40.6536454157608       split increased to            2  itime       27431 
   itsplit           1
- acceleration/energy drift too large   4.41329519087666     
-   12.9389762777011       split increased to            2  itime       28586 
+Momenta zeroed out, time             5599.80
+ acceleration/energy drift too large   4.53673052656342     
+   14.7409584733238       split increased to            2  itime       28010 
   itsplit           1
 Momenta zeroed out, time             5799.80
- acceleration/energy drift too large   3.72674240558146     
-   12.3400156793591       split increased to            2  itime       29418 
+ acceleration/energy drift too large   4.95929268330974     
+   13.5300412273709       split increased to            2  itime       29176 
   itsplit           1
- acceleration/energy drift too large   5.02749869720821     
-   27.3907423306291       split increased to            2  itime       29563 
+ acceleration/energy drift too large   3.41184973142874     
+   13.7224476055642       split increased to            2  itime       29503 
+  itsplit           1
+ acceleration/energy drift too large   5.80608195612136     
+   35.3064002534124       split increased to            2  itime       29571 
   itsplit           1
 Velocities reset to random values, time             5999.80
 Momenta zeroed out, time             5999.80
- acceleration/energy drift too large   2.98780008951816     
-   11.2083130952498       split increased to            2  itime       30546 
-  itsplit           1
- acceleration/energy drift too large   3.80551051049707     
-   18.4930034049570       split increased to            2  itime       30953 
-  itsplit           1
-Momenta zeroed out, time             6199.80
- acceleration/energy drift too large   2.11649776124192     
-   11.0643046690438       split increased to            2  itime       31032 
+ acceleration/energy drift too large   4.90554964777154     
+   13.6746424918735       split increased to            2  itime       30455 
   itsplit           1
- acceleration/energy drift too large   5.66270677393651     
-   39.5775946358652       split increased to            2  itime       31474 
+ acceleration/energy drift too large   6.86922767617892     
+   28.1330096863545       split increased to            2  itime       30581 
   itsplit           1
- acceleration/energy drift too large   7.22650996536332     
-   16.9584216985875       split increased to            2  itime       31847 
+ acceleration/energy drift too large   3.30811295433163     
+   12.5861020115116       split increased to            2  itime       30650 
   itsplit           1
+Momenta zeroed out, time             6199.80
 Momenta zeroed out, time             6399.80
- acceleration/energy drift too large   5.49738033037487     
-   19.1911174352051       split increased to            2  itime       32603 
-  itsplit           1
- acceleration/energy drift too large   10.2406913627804     
-   49.3734741986196       split increased to            2  itime       32903 
+ acceleration/energy drift too large   7.17742432223739     
+   57.3213218078333       split increased to            2  itime       32989 
   itsplit           1
 Momenta zeroed out, time             6599.80
- acceleration/energy drift too large   2.97713260322514     
-   12.6917565551704       split increased to            2  itime       33668 
+ acceleration/energy drift too large   7.76481836263690     
+   50.9707504412381       split increased to            2  itime       33180 
   itsplit           1
- acceleration/energy drift too large   5.01337691767415     
-   38.1632404740615       split increased to            2  itime       33708 
+ acceleration/energy drift too large   3.04532849725156     
+   11.1590526307968       split increased to            2  itime       33200 
   itsplit           1
- acceleration/energy drift too large   5.57864563189970     
-   14.6710664211666       split increased to            2  itime       33709 
+ acceleration/energy drift too large   5.71728091870639     
+   24.8319801708204       split increased to            2  itime       33242 
   itsplit           1
 Momenta zeroed out, time             6799.80
- acceleration/energy drift too large   3.79258954772606     
-   30.0155106779160       split increased to            2  itime       34099 
+ acceleration/energy drift too large   6.22256161608243     
+   14.7497446741375       split increased to            2  itime       34623 
   itsplit           1
- acceleration/energy drift too large   4.1482 acceleration/energy drift too large   8.39997287702917     
-   32.5428630902845       split increased to            2  itime       35098 
+Momenta zeroed out, time             6999.80
+Momenta zeroed out, time             7199.80
+ acceleration/energy drift too large   5.22155437483111     
+   11.7321838931129       split increased to            2  itime       36712 
   itsplit           1
- acceleration/energy drift too large   5.47095781589089     
-   36.3753141159497       split increased to           Momenta zeroed out, time             6999.80
- acceleration/energy drift too large   4.05187451343540     
-   18.2303554006516       split increased to            2  itime       35577 
+ acceleration/energy drift too large   6.91003701320020     
+   17.1435635167001       split increased to            2  itime       36892 
   itsplit           1
- acceleration/energy drift too large   5.3571Momenta zeroed out, time             7399.80
- acceleration/energy drift too large   5.74517836151729     
-   17.6655488118739       split increased to            2  itime       37723 
+ acceleration/energy drift too large   5.7377 acceleration/energy drift too large   9.00076990588829     
+   83.7624398226502       split increased to            2  itime       37490 
   itsplit           1
 Momenta zeroed out, time             7599.80
- acceleration/energy drift too large   8.22778026246259     
-   26.8248257646732       split increased to           Momenta zeroed out, time             7599.80
+ acceleration/energy drift too large   3.59479411661578     
+   11.5068227710152       split increased to            2  itime       38909 
+  itsplit           1
 Momenta zeroed out, time             7799.80
-Velocities reset to random values, time             7999.80
-Momenta zeroed out, time             7999.80
- acceleration/energy drift too large   3.34382036027267     
-   11.7006660932847       split increased to            2  itime       40221 
+ acceleration/energy drift too large   4.21406227597514     
+   17.4925313789012       split increased to            2  itime       39527 
   itsplit           1
- acceleration/energy drift too large   4.36601761908124 Velocities reset to random values, time             7999.80
+Velocities reset to random values, time             7999.80
 Momenta zeroed out, time             7999.80
 Momenta zeroed out, time             8199.80
- acceleration/energy drift too large   6.80214345227698     
-   16.9194278870824       split increased to            2  itime       41001 
+Momenta zeroed out, time             8399.80
+ acceleration/energy drift too large   7.98183684208237     
+   16.5304645769377       split increased to            2  itime       42202 
   itsplit           1
- acceleration/energy drift too large   2.32899568212084     
-   12.8299014623757       split increased to            2  itime       41002 
+Momenta zeroed out, time             8599.80
+ acceleration/energy drift too large   4.48728878765109     
+   20.4835163545972       split increased to            2  itime       43320 
   itsplit           1
- acceleration/energy drift too large   7.96008168475646     
-   27.9901152147707       split increased to            2  itime       41888 
-  itsplit           1
- acceleration/energy drift too large   5.8403Momenta zeroed out, time             8599.80
 Momenta zeroed out, time             8799.80
- acceleration/energy drift too large   5.50192564643910     
-   15.8736494335479       split increased to            acceleration/energy drift too large   12.498 acceleration/energy drift too large   4.91757342274325     
-   11.8712246781655       split increased to            2  itime       44722 
+ acceleration/energy drift too large   5.23380027738265     
+   18.5128310032897       split increased to            2  itime       44315 
+  itsplit           1
+ acceleration/energy drift too large   5.57563190685185     
+   10.4630122241596       split increased to            2  itime       44442 
   itsplit           1
 Momenta zeroed out, time             8999.80
+ acceleration/energy drift too large   3.26948117428497     
+   14.0675735456405       split increased to            2  itime       45616 
+  itsplit           1
 Momenta zeroed out, time             9199.80
+ acceleration/energy drift too large   2.37143312561985     
+   14.0939341268137       split increased to            2  itime       46455 
+  itsplit           1
+ acceleration/energy drift too large   5.18215974926298     
+   20.2168292432480       split increased to            2  itime       46720 
+  itsplit           1
+ acceleration/energy drift too large   3.54001514475866     
+   17.5519944087030       split increased to            2  itime       46909 
+  itsplit           1
 Momenta zeroed out, time             9399.80
- acceleration/energy drift too large   4.11956812195594     
-   25.5341454054660       split increased to            2  itime       47587 
+ acceleration/energy drift too large   4.34078356625046     
+   15.1480029619556       split increased to            2  itime       47175 
   itsplit           1
- acceleration/energy drift too large   3.27659565811387     
-   22.7935947555657       split increased to            2  itime       47921 
+ acceleration/energy drift too large   4.14710051862546     
+   10.9506014196196       split increased to            2  itime       47392 
   itsplit           1
 Momenta zeroed out, time             9599.80
 Momenta zeroed out, time             9799.80
- acceleration/energy drift too large   4.42667159667525     
-   14.0014117678995       split increased to            2  itime       49037 
+ acceleration/energy drift too large   7.06212508188058     
+   12.5756040710310       split increased to            2  itime       49418 
   itsplit           1
- acceleration/energy drift too large   8.19843681056957     
-   32.8520136188790       split increased to            2  itime       49109 
-  itsplit           1
- acceleration/energy drift too large   3.82216373734513     
-   13.0727852333640       split increased to            2  itime       49646 
+ acceleration/energy drift too large   4.04579044103572     
+   18.8709080564684       split increased to            2  itime       49647 
   itsplit           1
 Velocities reset to random values, time             9999.80
 Momenta zeroed out, time             9999.80
- acceleration/energy drift too large   7.01643692866795     
-   22.3598666744090       split increased to            2  itime       50516 
+ acceleration/energy drift too large   4.39943084317845     
+   18.0464640943452       split increased to            2  itime       50097 
+  itsplit           1
+ acceleration/energy drift too large   7.26341933998099     
+   22.1488982980439       split increased to            2  itime       50448 
   itsplit           1
- acceleration/energy drift too large   3.98851939378843     
-   10.8695351326695       split increased to            2  itime       50827 
+ acceleration/energy drift too large   5.66620782012566     
+   30.3149311545307       split increased to            2  itime       50854 
   itsplit           1
 Momenta zeroed out, time            10199.80
- acceleration/energy drift too large   2.75725364389611     
-   13.5255575605042       split increased to            2  itime       51065 
+ acceleration/energy drift too large   3.58315285682989     
+   20.2089251690736       split increased to            2  itime       51440 
   itsplit           1
- acceleration/energy drift too large   4.71097418579137     
-   13.7380795788583       split increased to            2  itime       51144 
+ acceleration/energy drift too large   3.50110963627285     
+   13.4489043526644       split increased to            2  itime       51449 
   itsplit           1
- acceleration/energy drift too large   5.13472919507680     
-   18.2649022648484       split increased to            2  itime       51202 
+ acceleration/energy drift too large   6.55786686034940     
+   29.7502532328758       split increased to            2  itime       51668 
   itsplit           1
- acceleration/energy drift too large   7.36753451071958     
-   21.0558229158398       split increased to            2  itime       51600 
+ acceleration/energy drift too large   4.28272410147953     
+   15.7078145023896       split increased to            2  itime       51941 
+  itsplit           1
+ acceleration/energy drift too large   6.17937158907770     
+   12.4151139099836       split increased to            2  itime       51790 
   itsplit           1
 Momenta zeroed out, time            10399.80
- acceleration/energy drift too large   2.74248842357694     
-   17.0941445135730       split increased to            2  itime       52196 
+ acceleration/energy drift too large   3.06385693941241     
+   16.1856855988734       split increased to            2  itime       52038 
   itsplit           1
- acceleration/energy drift too large   2.84770041556971     
-   11.3883947517121       split increased to           Momenta zeroed out, time            10399.80
 Momenta zeroed out, time            10599.80
 Momenta zeroed out, time            10799.80
- acceleration/energy drift too large   3.43948534401113     
-   11.6584483043384       split increased to            2  itime       54445 
-  itsplit           1
 Momenta zeroed out, time            10999.80
- acceleration/energy drift too large   3.97045944219554     
-   22.2503993290260       split increased to            2  itime       55117 
+ acceleration/energy drift too large   4.65475958524535     
+   10.5041189189497       split increased to            2  itime       55430 
+  itsplit           1
+ acceleration/energy drift too large   6.01961958023937     
+   37.7058902102171       split increased to            2  itime       55653 
+  itsplit           1
+ acceleration/energy drift too large   4.60826201377581     
+   13.8625173832626       split increased to            2  itime       55758 
   itsplit           1
 Momenta zeroed out, time            11199.80
 Momenta zeroed out, time            11399.80
+ acceleration/energy drift too large   7.77822096029462     
+   30.1156080087612       split increased to            2  itime       57432 
+  itsplit           1
+ acceleration/energy drift too large   4.06312849097179     
+   13.5282519512511       split increased to            2  itime       57667 
+  itsplit           1
+ acceleration/energy drift too large   7.91651943734724     
+   83.7698585625548       split increased to            2  itime       57705 
+  itsplit           1
+ acceleration/energy drift too large   1.86126084312338     
+   16.9205352148207       split increased to            4  itime       57705 
+  itsplit           2
 Momenta zeroed out, time            11599.80
+ acceleration/energy drift too large   1.84959924648675     
+   15.4860682441623       split increased to            2  itime       58098 
+  itsplit           1
 Momenta zeroed out, time            11799.80
- acceleration/energy drift too large   4.74155785445490     
-   13.1354148599818       split increased to            2  itime       59891 
+ acceleration/energy drift too large   4.65435825374188     
+   18.7636305222937       split increased to            2  itime       59793 
   itsplit           1
 Velocities reset to random values, time            11999.80
 Momenta zeroed out, time            11999.80
- acceleration/energy drift too large   4.39568263794746     
-   16.4438444512850       split increased to            2  itime       60312 
+ acceleration/energy drift too large   3.63567250601663     
+   15.8765258238843       split increased to            2  itime       60145 
+  itsplit           1
+ acceleration/energy drift too large   8.26993235194250     
+   19.6683388604808       split increased to            2  itime       60437 
+  itsplit           1
+ acceleration/energy drift too large   3.60724430163249     
+   15.2499110181385       split increased to            2  itime       60513 
   itsplit           1
 Momenta zeroed out, time            12199.80
+ acceleration/energy drift too large   6.54235448710091     
+   16.5296000676980       split increased to            2  itime       61210 
+  itsplit           1
+ acceleration/energy drift too large   4.24363595926131     
+   11.1004260925177       split increased to            2  itime       61639 
+  itsplit           1
+ acceleration/energy drift too large   5.75010235626825     
+   23.4029545084913       split increased to            2  itime       61770 
+  itsplit           1
 Momenta zeroed out, time            12399.80
+ acceleration/energy drift too large   6.13053606789889     
+   21.3432465035986       split increased to            2  itime       62473 
+  itsplit           1
 Momenta zeroed out, time            12599.80
- acceleration/energy drift too large   7.84631407293589     
-   23.9344835153650       split increased to            2  itime       63287 
+ acceleration/energy drift too large   5.52625291717305     
+   19.6968171952852       split increased to            2  itime       63230 
   itsplit           1
 Momenta zeroed out, time            12799.80
- acceleration/energy drift too large   2.03290618339341     
-   10.2159834708235       split increased to            2  itime       64800 
+ acceleration/energy drift too large   2.88334534749058     
+   22.4488500232784       split increased to            2  itime       64802 
   itsplit           1
 Momenta zeroed out, time            12999.80
- acceleration/energy drift too large   4.02020539695334     
-   21.2002621282965       split increased to            2  itime       65272 
-  itsplit           1
- acceleration/energy drift too large   3.27130723994311     
-   11.1534474709162       split increased to            2  itime       65275 
+ acceleration/energy drift too large   2.86631597537019     
+   13.7165175177180       split increased to            2  itime       65053 
   itsplit           1
- acceleration/energy drift too large   3.46277397755021     
-   16.8782478953325       split increased to            2  itime       65446 
-  itsplit           1
- acceleration/energy drift too large   1.57718560755029     
-   13.0471208128676       split increased to            2  itime       65691 
+ acceleration/energy drift too large   6.43579477870977     
+   10.8864557462302       split increased to            2  itime       65395 
   itsplit           1
 Momenta zeroed out, time            13199.80
- acceleration/energy drift too large   4.33651366696592     
-   25.5671117698763       split increased to            2  itime       66923 
+ acceleration/energy drift too large   3.56565858223533     
+   14.4220302410812       split increased to            2  itime       66399 
   itsplit           1
 Momenta zeroed out, time            13399.80
- acceleration/energy drift too large   11.9207391669494     
-   80.6948236965866       split increased to            2  itime       67636 
-  itsplit           1
- acceleration/energy drift too large   4.03161923894539     
-   13.6889930178657       split increased to            2  itime       67768 
-  itsplit           1
+ acceleration/energy drift too large   7.31152724388099     
+   18.4483259063668       split increased to           Momenta zeroed out, time            13399.80
 Momenta zeroed out, time            13599.80
+ acceleration/energy drift too large   1.86782284409748     
+   10.8097272891170       split increased to            2  itime       68736 
+  itsplit           1
 Momenta zeroed out, time            13799.80
+ acceleration/energy drift too large   6.33996211505255     
+   26.6427828148044       split increased to            2  itime       69188 
+  itsplit           1
+ acceleration/energy drift too large   20.5135810223243     
+   148.101086387662       split increased to            2  itime       69448 
+  itsplit           1
+ acceleration/energy drift too large   3.35835894615556     
+   12.5730900774980       split increased to            2  itime       69606 
+  itsplit           1
 Velocities reset to random values, time            13999.80
 Momenta zeroed out, time            13999.80
+ acceleration/energy drift too large   5.85246300720650     
+   32.6558491965928       split increased to            2  itime       70928 
+  itsplit           1
 Momenta zeroed out, time            14199.80
- acceleration/energy drift too large   3.13389251495520     
-   25.3080488011028       split increased to            2  itime       71281 
+ acceleration/energy drift too large   8.37512954907522     
+   34.9644493165388       split increased to            2  itime       71217 
   itsplit           1
-Momenta zeroed out, time            14399.80
- acceleration/energy drift too large   7.05994137070940     
-   17.0994754785219       split increased to            2  itime       72512 
+ acceleration/energy drift too large   3.2865 acceleration/energy drift too large   5.97237174599376     
+   13.3546394534243       split increased to            2  itime       72476 
+  itsplit           1
+ acceleration/energy drift too large   4.40416135130656     
+   14.0497815889012       split increased to            2  itime       72668 
   itsplit           1
 Momenta zeroed out, time            14599.80
+ acceleration/energy drift too large   4.48024152901730     
+   11.0777523858610       split increased to            2  itime       73056 
+  itsplit           1
+ acceleration/energy drift too large   9.84349089680346     
+   44.4754084657111       split increased to            2  itime       73549 
+  itsplit           1
 Momenta zeroed out, time            14799.80
+ acceleration/energy drift too large   3.73475934965263     
+   18.1086439198787       split increased to            2  itime       74623 
+  itsplit           1
 Momenta zeroed out, time            14999.80
+ acceleration/energy drift too large   3.91751189407913     
+   11.7580148565700       split increased to            2  itime       75310 
+  itsplit           1
 Momenta zeroed out, time            15199.80
+ acceleration/energy drift too large   4.10748493332584     
+   16.2272040739635       split increased to            2  itime       76282 
+  itsplit           1
+ acceleration/energy drift too large   8.53368049952984     
+   35.3253599813386       split increased to            2  itime       76305 
+  itsplit           1
+ acceleration/energy drift too large   3.47536181731180     
+   11.5963886854930       split increased to            2  itime       76926 
+  itsplit           1
 Momenta zeroed out, time            15399.80
+ acceleration/energy drift too large   6.10516103701048     
+   19.6416002420143       split increased to            2  itime       77630 
+  itsplit           1
 Momenta zeroed out, time            15599.80
- acceleration/energy drift too large   3.66109224121675     
-   15.3381875222979       split increased to            2  itime       78604 
+ acceleration/energy drift too large   9.92997429761921     
+   29.5423952055958       split increased to            2  itime       78319 
+  itsplit           1
+ acceleration/energy drift too large   3.92379677138460     
+   23.0761873218391       split increased to            4  itime       78319 
   itsplit           1
 Momenta zeroed out, time            15799.80
 Velocities reset to random values, time            15999.80
 Momenta zeroed out, time            15999.80
-Momenta zeroed out, time            16199.80
- acceleration/energy drift too large   3.57276393320901     
-   17.6726091553904       split increased to            2  itime       81256 
+ acceleration/energy drift too large   7.75608766470364     
+   26.2426548423958       split increased to            2  itime       80060 
   itsplit           1
+Momenta zeroed out, time            16199.80
 Momenta zeroed out, time            16399.80
- acceleration/energy drift too large   4.62713752098195     
-   20.2244499443910       split increased to            2  itime       82616 
+ acceleration/energy drift too large   9.62498539807020     
+   49.4464811952036       split increased to            2  itime       82619 
   itsplit           1
 Momenta zeroed out, time            16599.80
- acceleration/energy drift too large   4.46402845076035     
-   15.7198045409991       split increased to            2  itime       83075 
+ acceleration/energy drift too large   11.3874428588308     
+   62.4298578105084       split increased to            2  itime       83089 
   itsplit           1
-Momenta zeroed out, time            16799.80
- acceleration/energy drift too large   6.46458142701565     
-   30.7758265147679       split increased to            2  itime       84035 
+ acceleration/energy drift too large   2.57068746609000     
+   14.1088536798277       split increased to            4  itime       83089 
+  itsplit           2
+ acceleration/energy drift too large   6.95136934309406     
+   16.5556361257003       split increased to            2  itime       83710 
   itsplit           1
- acceleration/energy drift too large   3.00858336390691     
-   10.4771284989428       split increased to            2  itime       84480 
+Momenta zeroed out, time            16799.80
+ acceleration/energy drift too large   3.81625247225945     
+   13.2000204554215       split increased to            2  itime       84486 
   itsplit           1
 Momenta zeroed out, time            16999.80
- acceleration/energy drift too large   9.66630917191298     
-   47.7383466061433       split increased to            2  itime       85903 
+ acceleration/energy drift too large   3.77109027914374     
+   10.4761743563773       split increased to            2  itime       85600 
   itsplit           1
 Momenta zeroed out, time            17199.80
- acceleration/energy drift too large   4.40764189952181     
-   10.7931468586478       split increased to            2  itime       86209 
-  itsplit           1
- acceleration/energy drift too large   3.31626845078969     
-   18.7761547343444       split increased to            2  itime       86757 
+ acceleration/energy drift too large   3.87276761955951     
+   17.0945114904590       split increased to            2  itime       86685 
   itsplit           1
 Momenta zeroed out, time            17399.80
- acceleration/energy drift too large   4.69665609005554     
-   16.2652127686973       split increased to            2  itime       87634 
+ acceleration/energy drift too large   8.97734816476711     
+   38.3346555022524       split increased to            2  itime       87079 
   itsplit           1
- acceleration/energy drift too large   2.61061435420450     
-   10.5320946807462       split increased to            2  itime       87635 
+ acceleration/energy drift too large   5.60750211406623     
+   12.2068656117405       split increased to            2  itime       87080 
   itsplit           1
 Momenta zeroed out, time            17599.80
 Momenta zeroed out, time            17799.80
- acceleration/energy drift too large   6.50237064263875     
-   15.6053235686136       split increased to            2  itime       89125 
-  itsplit           1
- acceleration/energy drift too large   1.71028988270547     
-   12.0978088163135       split increased to            2  itime       89199 
-  itsplit           1
- acceleration/energy drift too large   3.03964682300569     
-   11.5734477057758       split increased to            2  itime       89895 
+ acceleration/energy drift too large   3.26360380686819     
+   15.3133207179158       split increased to            2  itime       89322 
   itsplit           1
 Velocities reset to random values, time            17999.80
 Momenta zeroed out, time            17999.80
-Momenta zeroed out, time            18199.80
- acceleration/energy drift too large   2.39682735636019     
-   11.1076089225986       split increased to            2  itime       91116 
+ acceleration/energy drift too large   6.20707157584211     
+   11.8031753895971       split increased to            2  itime       90333 
   itsplit           1
- acceleration/energy drift too large   2.26316603987974     
-   13.9226821815157       split increased to            2  itime       91831 
+ acceleration/energy drift too large   4.7511Momenta zeroed out, time            18399.80
+ acceleration/energy drift too large   5.90719382272201     
+   33.8517454260353       split increased to            2  itime       92504 
   itsplit           1
-Momenta zeroed out, time            18399.80
- acceleration/energy drift too large   5.74124270276225     
-   18.8169676340583       split increased to            2  itime       92055 
+ acceleration/energy drift too large   6.53346413199436     
+   42.5662502174064       split increased to            2  itime       92534 
   itsplit           1
- acceleration/energy drift too large   16.5348531901549     
-   108.056054259412       split increased to            2  itime       92477 
+ acceleration/energy drift too large   4.88352709111255     
+   17.1777364753299       split increased to            2  itime       92824 
   itsplit           1
- acceleration/energy drift too large   3.10549203829796     
-   10.1730563003126       split increased to            2  itime       92493 
-  itsplit           1
- acceleration/energy drift too large   7.36280823700951     
-   23.4999108109677       split increased to            2  itime       92667 
+ acceleration/energy drift too large   5.97676036144736     
+   35.9625213098731       split increased to            2  itime       92872 
   itsplit           1
 Momenta zeroed out, time            18599.80
- acceleration/energy drift too large   6.80523345499313     
-   20.2198032375517       split increased to            2  itime       93294 
+ acceleration/energy drift too large   16.3944989900976     
+   102.986719214791       split increased to            2  itime       93798 
   itsplit           1
 Momenta zeroed out, time            18799.80
- acceleration/energy drift too large   5.12260079440412     
-   28.8667346838330       split increased to            2  itime       94171 
+ acceleration/energy drift too large   3.04914223561064     
+   14.1495474964401       split increased to            2  itime       94706 
   itsplit           1
 Momenta zeroed out, time            18999.80
- acceleration/energy drift too large   5.36640644048705     
-   18.2620725126904       split increased to            2  itime       95042 
-  itsplit           1
- acceleration/energy drift too large   10.4019496248542     
-   63.7993009559318       split increased to            2  itime       95168 
-  itsplit           1
- acceleration/energy drift too large   4.22867954205771     
-   18.3745186543899       split increased to            2  itime       95315 
-  itsplit           1
- acceleration/energy drift too large   2.08552798983201     
-   10.4847466293990       split increased to            2  itime       95823 
-  itsplit           1
- acceleration/energy drift too large   5.63644813817942     
-   17.1759614366645       split increased to            2  itime       95994 
-  itsplit           1
 Momenta zeroed out, time            19199.80
- acceleration/energy drift too large   4.41618952413033     
-   20.2434864360882       split increased to            2  itime       96006 
-  itsplit           1
 Momenta zeroed out, time            19399.80
-Momenta zeroed out, time            19599.80
- acceleration/energy drift too large   4.37650257451858     
-   12.2805804885313       split increased to            2  itime       98434 
+ acceleration/energy drift too large   12.5924066062259     
+   68.6527514604319       split increased to            2  itime       97585 
   itsplit           1
- acceleration/energy drift too large   5.59130793182880     
-   32.5666348427921       split increased to            2  itime       98630 
+ acceleration/energy drift too large   2.57181754831054     
+   11.1853943973753       split increased to            4  itime       97585 
   itsplit           1
- acceleration/energy drift too large   6.13016483841643     
-   21.2014113893156       split increased to            2  itime       98667 
+Momenta zeroed out, time            19599.80
+ acceleration/energy drift too large   4.50985643620030     
+   21.4125920322416       split increased to            2  itime       98489 
+  itsplit           1
+ acceleration/energy drift too large   4.32410967284312     
+   19.7086934183684       split increased to            2  itime       98970 
   itsplit           1
 Momenta zeroed out, time            19799.80
 Velocities reset to random values, time            19999.80
 Momenta zeroed out, time            19999.80
- acceleration/energy drift too large   4.31039516374791     
-   11.6612938118834       split increased to            2  itime      100156 
+ acceleration/energy drift too large   13.3572086116924     
+   76.1660360917727       split increased to            2  itime      100011 
   itsplit           1
- acceleration/energy drift too large   5.71777941924700     
-   27.4863887683539       split increased to            2  itime      100254 
+ acceleration/energy drift too large   3.08225385753469     
+   16.7401038806137       split increased to            4  itime      100011 
   itsplit           1
- acceleration/energy drift too large   5.84888757875248     
-   38.2799807905298       split increased to            2  itime      100373 
+ acceleration/energy drift too large   6.51815311546013     
+   19.3565312875354       split increased to            2  itime      100106 
   itsplit           1
- acceleration/energy drift too large   4.92240187275080     
-   10.8963549039637       split increased to            2  itime      100375 
-  itsplit           1
- acceleration/energy drift too large   3.91762031737616     
-   14.8722718235314       split increased to            2  itime      100378 
+Momenta zeroed out, time            20199.80
+ acceleration/energy drift too large   6.94236039214888     
+   15.9773035783704       split increased to            2  itime      101872 
   itsplit           1
- acceleration/energy drift too large   3.67868490187316     
-   11.3966093755363       split increased to            2  itime      100385 
+Momenta zeroed out, time            20399.80
+ acceleration/energy drift too large   1.87385151939339     
+   10.5357034550171       split increased to            2  itime      102244 
   itsplit           1
- acceleration/energy drift too large   1.42152979837025     
-   16.9076867519038       split increased to            2  itime      100438 
+ acceleration/energy drift too large   4.44006630422622     
+   33.1951120280117       split increased to            2  itime      102565 
   itsplit           1
-Momenta zeroed out, time            20199.80
- acceleration/energy drift too large   7.64933915749182     
-   17.6836117242956       split increased to            2  itime      101541 
+ acceleration/energy drift too large   3.93945810065810     
+   10.6111151362061       split increased to            2  itime      102567 
   itsplit           1
-Momenta zeroed out, time            20399.80
- acceleration/energy drift too large   7.73942871284741     
-   18.7256343444122       split increased to            2  itime      102850 
+ acceleration/energy drift too large   3.52338590766542     
+   10.8401811462205       split increased to            2  itime      102572 
   itsplit           1
 Momenta zeroed out, time            20599.80
- acceleration/energy drift too large   4.82174708509505     
-   10.2000768431667       split increased to            2  itime      103766 
+ acceleration/energy drift too large   3.89850613238019     
+   14.0174395450132       split increased to            2  itime      103248 
+  itsplit           1
+ acceleration/energy drift too large   5.91748014852118     
+   31.4856948293488       split increased to            2  itime      103413 
   itsplit           1
 Momenta zeroed out, time            20799.80
- acceleration/energy drift too large   5.25153657648063     
-   12.7485448674025       split increased to            2  itime      104232 
+ acceleration/energy drift too large   5.22274509428395     
+   25.8010250799423       split increased to            2  itime      104479 
   itsplit           1
 Momenta zeroed out, time            20999.80
- acceleration/energy drift too large   4.79374097184870     
-   23.2494577284428       split increased to            2  itime      105187 
-  itsplit           1
- acceleration/energy drift too large   2.03085811707864     
-   12.0200473171181       split increased to            2  itime      105473 
-  itsplit           1
 Momenta zeroed out, time            21199.80
- acceleration/energy drift too large   6.03431312934842     
-   18.9110891851838       split increased to            2  itime      106467 
+ acceleration/energy drift too large   7.90570624436432     
+   18.6306230652047       split increased to            2  itime      106554 
   itsplit           1
 Momenta zeroed out, time            21399.80
- acceleration/energy drift too large   5.72048070806811     
-   39.9025363262964       split increased to            2  itime      107159 
+ acceleration/energy drift too large   11.2694476543588     
+   66.5635364996357       split increased to            2  itime      107482 
   itsplit           1
- acceleration/energy drift too large   5.19661413306006     
-   20.4960088151198       split increased to            2  itime      107392 
+ acceleration/energy drift too large   2.27755933712765     
+   10.9666218010454       split increased to            4  itime      107482 
   itsplit           1
 Momenta zeroed out, time            21599.80
- acceleration/energy drift too large   5.38819893157355     
-   10.5284201806095       split increased to            2  itime      108376 
+ acceleration/energy drift too large   3.49267616833998     
+   15.0862640903047       split increased to            2  itime      108169 
+  itsplit           1
+ acceleration/energy drift too large   6.02700068523955     
+   17.0498526364551       split increased to            2  itime      108442 
+  itsplit           1
+ acceleration/energy drift too large   8.24962944177700     
+   58.1954197039196       split increased to            2  itime      108453 
   itsplit           1
- acceleration/energy drift too large   6.26939860876480     
-   19.4037240954346       split increased to            2  itime      108539 
+ acceleration/energy drift too large   4.70391454715478     
+   19.5737547567111       split increased to            2  itime      108467 
   itsplit           1
 Momenta zeroed out, time            21799.80
- acceleration/energy drift too large   3.85132047436609     
-   14.6561869580349       split increased to            2  itime      109215 
+ acceleration/energy drift too large   9.80693483147433     
+   46.5506655939611       split increased to            2  itime      109128 
   itsplit           1
- acceleration/energy drift too large   2.86149013652327     
-   12.2608126866562       split increased to            2  itime      109535 
+ acceleration/energy drift too large   4.70663607726532     
+   11.8204357812992       split increased to            2  itime      109157 
+  itsplit           1
+ acceleration/energy drift too large   3.10185649058651     
+   10.3430835497127       split increased to            2  itime      109300 
+  itsplit           1
+ acceleration/energy drift too large   9.24631832691843     
+   46.2327231066795       split increased to            2  itime      109978 
   itsplit           1
 Velocities reset to random values, time            21999.80
 Momenta zeroed out, time            21999.80
-Momenta zeroed out, time            22199.80
- acceleration/energy drift too large   3.23109873945565     
-   12.3801776107828       split increased to            2  itime      111148 
+ acceleration/energy drift too large   7.73294979577725     
+   20.5578286225882       split increased to            2  itime      110222 
   itsplit           1
- acceleration/energy drift too large   3.99997187568220     
-   15.3645474982314       split increased to            2  itime      111417 
+ acceleration/energy drift too large   4.73812338144384     
+   15.3481607103457       split increased to            2  itime      110251 
   itsplit           1
-Momenta zeroed out, time            22399.80
-Momenta zeroed out, time            22599.80
- acceleration/energy drift too large   4.91099154581694     
-   10.5824421233318       split increased to            2  itime      113409 
+ acceleration/energy drift too large   11.2764421441956     
+   64.2096264885573       split increased to            2  itime      110909 
   itsplit           1
- acceleration/energy drift too large   5.57662670934526     
-   18.6719915481855       split increased to            2  itime      113653 
+Momenta zeroed out, time            22199.80
+ acceleration/energy drift too large   5.14844259865233     
+   31.9609092898455       split increased to            2  itime      111448 
   itsplit           1
- acceleration/energy drift too large   4.61314271832366     
-   14.3396999857172       split increased to            2  itime      113827 
+Momenta zeroed out, time            22399.80
+Momenta zeroed out, time            22599.80
+ acceleration/energy drift too large   5.72200976015898     
+   23.8141243319956       split increased to            2  itime      113923 
   itsplit           1
 Momenta zeroed out, time            22799.80
- acceleration/energy drift too large   2.02135044994666     
-   10.9959002665983       split increased to            2  itime      114035 
-  itsplit           1
- acceleration/energy drift too large   3.65198401889327     
-   13.0178905163416       split increased to            2  itime      114650 
+ acceleration/energy drift too large   5.70913083402702     
+   11.7150162675451       split increased to            2  itime      114173 
   itsplit           1
 Momenta zeroed out, time            22999.80
- acceleration/energy drift too large   4.74801547168387     
-   13.3151998944701       split increased to            2  itime      115137 
-  itsplit           1
 Momenta zeroed out, time            23199.80
- acceleration/energy drift too large   4.14893047823044     
-   26.7097290081083       split increased to            2  itime      116126 
+ acceleration/energy drift too large   11.7381374681239     
+   72.8672924482116       split increased to            2  itime      116093 
   itsplit           1
- acceleration/energy drift too large   3.00296335825156     
-   16.1199414105349       split increased to            2  itime      116425 
+Momenta zeroed out, time            23399.80
+ acceleration/energy drift too large   7.86419673951330     
+   14.0746031786880       split increased to            2  itime      117453 
   itsplit           1
- acceleration/energy drift too large   3.50177908507677     
-   11.4295815818545       split increased to            2  itime      116631 
+ acceleration/energy drift too large   3.09555021189861     
+   23.1334694184660       split increased to            2  itime      117490 
   itsplit           1
-Momenta zeroed out, time            23399.80
- acceleration/energy drift too large   13.5443079167835     
-   212.878651718540       split increased to            2  itime      117836 
+ acceleration/energy drift too large   6.71926079189726     
+   14.0016490223099       split increased to            2  itime      117637 
   itsplit           1
- acceleration/energy drift too large   3.23616805001340     
-   49.9778753313034       split increased to            4  itime      117836 
-  itsplit           2
 Momenta zeroed out, time            23599.80
- acceleration/energy drift too large   4.61780993830998     
-   16.2896530074001       split increased to            2  itime      118022 
+ acceleration/energy drift too large   5.72742738486107     
+   16.0420657028754       split increased to            2  itime      118113 
   itsplit           1
- acceleration/energy drift too large   11.0174309375027     
-   70.9436455275263       split increased to            2  itime      118437 
+ acceleration/energy drift too large   4.91742392287147     
+   11.3480063207616       split increased to            2  itime      118155 
   itsplit           1
- acceleration/energy drift too large   2.61522507587683     
-   14.8149191017341       split increased to            4  itime      118437 
-  itsplit           2
 Momenta zeroed out, time            23799.80
- acceleration/energy drift too large   2.97312476649939     
-   11.1500606946132       split increased to            2  itime      119514 
-  itsplit           1
- acceleration/energy drift too large   4.67724245508767     
-   13.0903539210649       split increased to            2  itime      119767 
-  itsplit           1
 Velocities reset to random values, time            23999.80
 Momenta zeroed out, time            23999.80
- acceleration/energy drift too large   5.42555948019655     
-   14.7144298176379       split increased to            2  itime      120078 
+ acceleration/energy drift too large   12.7508138444632     
+   81.3644418103329       split increased to            2  itime      120185 
+  itsplit           1
+ acceleration/energy drift too large   2.36824573603130     
+   12.9337537267945       split increased to            4  itime      120185 
+  itsplit           2
+ acceleration/energy drift too large   4.32820820456278     
+   11.4759210856020       split increased to            2  itime      120340 
   itsplit           1
 Momenta zeroed out, time            24199.80
- acceleration/energy drift too large   4.53111583517670     
-   10.4054067869403       split increased to            2  itime      121828 
+ acceleration/energy drift too large   5.41149856337280     
+   14.8624432896250       split increased to            2  itime      121087 
+  itsplit           1
+ acceleration/energy drift too large   3.88735358934151     
+   15.3028347230999       split increased to            2  itime      121309 
+  itsplit           1
+ acceleration/energy drift too large   5.41321766387656     
+   17.1074270510671       split increased to            2  itime      121849 
   itsplit           1
 Momenta zeroed out, time            24399.80
+ acceleration/energy drift too large   8.89999951086712     
+   25.0625647228599       split increased to            2  itime      122358 
+  itsplit           1
+ acceleration/energy drift too large   10.1183205648679     
+   45.7661069558484       split increased to            2  itime      122734 
+  itsplit           1
 Momenta zeroed out, time            24599.80
- acceleration/energy drift too large   3.31756748081709     
-   19.7230051396895       split increased to            2  itime      123741 
+ acceleration/energy drift too large   4.05419847920409     
+   10.7647145293792       split increased to            2  itime      123282 
   itsplit           1
- acceleration/energy drift too large   4.26907005479555     
-   11.0843056516088       split increased to            2  itime      123934 
+ acceleration/energy drift too large   7.04700937842152     
+   23.5583925340136       split increased to            2  itime      123524 
   itsplit           1
 Momenta zeroed out, time            24799.80
- acceleration/energy drift too large   3.71113956819049     
-   17.8652767404564       split increased to            2  itime      124096 
+Momenta zeroed out, time            24999.80
+ acceleration/energy drift too large   3.01924340908437     
+   10.1820888628073       split increased to            2  itime      125221 
   itsplit           1
- acceleration/energy drift too large   10.7804916108500     
-   58.8546698202528       split increased to            2  itime      124826 
+ acceleration/energy drift too large   7.59092611731958     
+   28.3705082856877       split increased to            2  itime      125460 
   itsplit           1
-Momenta zeroed out, time            24999.80
- acceleration/energy drift too large   2.20068742755576     
-   11.6134894828132       split increased to            2  itime      125000 
+ acceleration/energy drift too large   4.50585318044122     
+   28.0443751402843       split increased to            2  itime      125636 
   itsplit           1
- acceleration/energy drift too large   4.00493119096423     
-   18.2639623662413       split increased to            2  itime      125055 
+ acceleration/energy drift too large   7.55893905741632     
+   26.1657330207185       split increased to            2  itime      125689 
+  itsplit           1
+ acceleration/energy drift too large   4.47932185728838     
+   21.9015092946603       split increased to            2  itime      125811 
   itsplit           1
 Momenta zeroed out, time            25199.80
-Momenta zeroed out, time            25399.80
- acceleration/energy drift too large   5.57763725607094     
-   16.7426639260340       split increased to            2  itime      127364 
+ acceleration/energy drift too large   13.6060794445133     
+   74.4051162312957       split increased to            2  itime      126114 
+  itsplit           1
+ acceleration/energy drift too large   2.97130316220265     
+   16.0821791226575       split increased to            4  itime      126114 
+  itsplit           2
+ acceleration/energy drift too large   8.44010617944553     
+   34.4666519640205       split increased to            2  itime      126544 
   itsplit           1
- acceleration/energy drift too large   3.21557967607604     
-   13.5124683610973       split increased to            2  itime      127641 
+Momenta zeroed out, time            25399.80
+ acceleration/energy drift too large   6.63895093828333     
+   14.3359618716643       split increased to            2  itime      127516 
   itsplit           1
 Momenta zeroed out, time            25599.80
-Momenta zeroed out, time            25799.80
- acceleration/energy drift too large   11.3992648012267     
-   45.9217460419058       split increased to            2  itime      129413 
+ acceleration/energy drift too large   2.58664968543188     
+   12.5440991993688       split increased to            2  itime      128470 
   itsplit           1
- acceleration/energy drift too large   5.97985464814628     
-   20.7174127851224       split increased to            2  itime      129570 
+Momenta zeroed out, time            25799.80
+ acceleration/energy drift too large   4.63789017556249     
+   13.0526346480827       split increased to            2  itime      129058 
   itsplit           1
- acceleration/energy drift too large   2.00659072659597     
-   10.9060856221015       split increased to            2  itime      129902 
+ acceleration/energy drift too large   4.37065099853706     
+   14.5522496860034       split increased to            2  itime      129706 
   itsplit           1
 Velocities reset to random values, time            25999.80
 Momenta zeroed out, time            25999.80
 Momenta zeroed out, time            26199.80
+ acceleration/energy drift too large   5.57947277025754     
+   15.0905048916507       split increased to            2  itime      131489 
+  itsplit           1
 Momenta zeroed out, time            26399.80
-Momenta zeroed out, time            26599.80
- acceleration/energy drift too large   5.43716693834949     
-   13.4643673238786       split increased to            2  itime      133912 
+ acceleration/energy drift too large   3.44379499869862     
+   11.7222528911759       split increased to            2  itime      132026 
+  itsplit           1
+ acceleration/energy drift too large   3.34489755297092     
+   15.2859899918007       split increased to            2  itime      132870 
   itsplit           1
+Momenta zeroed out, time            26599.80
 Momenta zeroed out, time            26799.80
- acceleration/energy drift too large   6.66877132526000     
-   22.3284444092073       split increased to            2  itime      134589 
+ acceleration/energy drift too large   3.78622256624733     
+   20.7933216959370       split increased to            2  itime      134994 
   itsplit           1
 Momenta zeroed out, time            26999.80
- acceleration/energy drift too large   11.2815495075222     
-   58.4293459951167       split increased to            2  itime      135492 
-  itsplit           1
- acceleration/energy drift too large   2.67076437169101     
-   13.5214620448894       split increased to            4  itime      135492 
-  itsplit           2
- acceleration/energy drift too large   3.32310084544643     
-   10.8297567026413       split increased to            2  itime      135795 
+ acceleration/energy drift too large   3.26465146023437     
+   12.5088554609138       split increased to            2  itime      135071 
   itsplit           1
- acceleration/energy drift too large   4.66972766416559     
-   13.3076893194178       split increased to            2  itime      135962 
+ acceleration/energy drift too large   4.17373804420575     
+   11.9066078614520       split increased to            2  itime      135339 
   itsplit           1
 Momenta zeroed out, time            27199.80
- acceleration/energy drift too large   7.21516287113221     
-   18.3634340015845       split increased to            2  itime      136569 
+ acceleration/energy drift too large   4.91759233099905     
+   14.7937687053690       split increased to            2  itime      136565 
+  itsplit           1
+ acceleration/energy drift too large   4.90831530221709     
+   17.1662226998977       split increased to            2  itime      136643 
   itsplit           1
- acceleration/energy drift too large   4.16148765038734     
-   21.5771959941961       split increased to            2  itime      136770 
+ acceleration/energy drift too large   5.10631527666357     
+   19.2330526550084       split increased to            2  itime      136923 
   itsplit           1
 Momenta zeroed out, time            27399.80
 Momenta zeroed out, time            27599.80
- acceleration/energy drift too large   6.00550259547210     
-   20.8991804549434       split increased to            2  itime      138519 
+ acceleration/energy drift too large   6.66317937504285     
+   24.5911811518414       split increased to            2  itime      138567 
+  itsplit           1
+ acceleration/energy drift too large   9.20298986264789     
+   30.5505003439901       split increased to            2  itime      138980 
   itsplit           1
 Momenta zeroed out, time            27799.80
- acceleration/energy drift too large   5.10320973522886     
-   22.3827974932001       split increased to            2  itime      139590 
+ acceleration/energy drift too large   15.5520944869405     
+   101.327961967967       split increased to            2  itime      139050 
+  itsplit           1
+ acceleration/energy drift too large   3.73797777666837     
+   24.3014694498480       split increased to            4  itime      139050 
+  itsplit           2
+ acceleration/energy drift too large   2.50044325898878     
+   15.1657232713103       split increased to            2  itime      139548 
   itsplit           1
 Velocities reset to random values, time            27999.80
 Momenta zeroed out, time            27999.80
- acceleration/energy drift too large   7.10024516918430     
-   12.2736230499605       split increased to            2  itime      140168 
+ acceleration/energy drift too large   8.92917324355463     
+   35.7343184237234       split increased to            2  itime      140028 
+  itsplit           1
+ acceleration/energy drift too large   4.31413659377156     
+   15.4724897697697       split increased to            2  itime      140801 
   itsplit           1
 Momenta zeroed out, time            28199.80
- acceleration/energy drift too large   4.73687630250522     
-   14.9274953565231       split increased to            2  itime      141998 
+ acceleration/energy drift too large   4.88175778591410     
+   18.6378179081164       split increased to            2  itime      141437 
+  itsplit           1
+ acceleration/energy drift too large   7.16876367786123     
+   36.5537582877809       split increased to            2  itime      141573 
+  itsplit           1
+ acceleration/energy drift too large   4.75528050724235     
+   20.0597773234057       split increased to            2  itime      141617 
+  itsplit           1
+ acceleration/energy drift too large   4.61007149555174     
+   11.9817416955428       split increased to            2  itime      141654 
+  itsplit           1
+ acceleration/energy drift too large   5.40859463271504     
+   12.6539466831431       split increased to            2  itime      141812 
+  itsplit           1
+ acceleration/energy drift too large   5.87173814961128     
+   22.2176890558525       split increased to            2  itime      141867 
   itsplit           1
 Momenta zeroed out, time            28399.80
-Momenta zeroed out, time            28599.80
- acceleration/energy drift too large   3.21108070874056     
-   10.7809725005917       split increased to            2  itime      143191 
+ acceleration/energy drift too large   5.92419240244504     
+   29.2301911420120       split increased to            2  itime      142482 
   itsplit           1
+Momenta zeroed out, time            28599.80
 Momenta zeroed out, time            28799.80
- acceleration/energy drift too large   12.7793231102134     
-   85.8342556353156       split increased to            2  itime      144862 
+ acceleration/energy drift too large   6.87870702082359     
+   17.2498959858139       split increased to            2  itime      144518 
   itsplit           1
 Momenta zeroed out, time            28999.80
- acceleration/energy drift too large   5.82458886846587     
-   10.3517787425686       split increased to            2  itime      145895 
+ acceleration/energy drift too large   4.51127000298734     
+   19.4387153463122       split increased to            2  itime      145643 
+  itsplit           1
+ acceleration/energy drift too large   4.30870197828719     
+   11.1687742908432       split increased to            2  itime      145935 
   itsplit           1
 Momenta zeroed out, time            29199.80
+ acceleration/energy drift too large   4.77857161613805     
+   20.9610247635787       split increased to            2  itime      146389 
+  itsplit           1
 Momenta zeroed out, time            29399.80
- acceleration/energy drift too large   5.95925988086466     
-   16.5186270998879       split increased to            2  itime      147314 
+ acceleration/energy drift too large   5.87717752612804     
+   16.2408389143803       split increased to            2  itime      147304 
+  itsplit           1
+ acceleration/energy drift too large   5.65004284730007     
+   44.4313150886772       split increased to            2  itime      147356 
   itsplit           1
 Momenta zeroed out, time            29599.80
- acceleration/energy drift too large   8.18195633809040     
-   32.7180113707152       split increased to            2  itime      148519 
+Momenta zeroed out, time            29799.80
+ acceleration/energy drift too large   10.2761453061226     
+   47.7404781077720       split increased to            2  itime      149008 
   itsplit           1
- acceleration/energy drift too large   6.45396395516867     
-   21.1621842329043       split increased to            2  itime      148652 
+ acceleration/energy drift too large   8.92064727299788     
+   33.3354096514573       split increased to            2  itime      149274 
+  itsplit           1
+ acceleration/energy drift too large  9.019714590583994E-002
+   21.4715910762663       split increased to            2  itime      149275 
+  itsplit           1
+ acceleration/energy drift too large   12.1350803851882     
+   63.2780956039336       split increased to            2  itime      149419 
+  itsplit           1
+ acceleration/energy drift too large   8.17544121217317     
+   39.4546080753571       split increased to            2  itime      149603 
+  itsplit           1
+ acceleration/energy drift too large   7.65184487340334     
+   19.8060574791234       split increased to            2  itime      149676 
   itsplit           1
-Momenta zeroed out, time            29799.80
 Velocities reset to random values, time            29999.80
 Momenta zeroed out, time            29999.80
- acceleration/energy drift too large   9.49682348803123     
-   47.0984834753812       split increased to            2  itime      150085 
-  itsplit           1
 Momenta zeroed out, time            30199.80
- acceleration/energy drift too large   2.91315318161090     
-   11.1842626105366       split increased to            2  itime      151135 
-  itsplit           1
- acceleration/energy drift too large   7.00683849276403     
-   16.3244682506627       split increased to            2  itime      151472 
+ acceleration/energy drift too large   3.40505691533365     
+   13.9041932175855       split increased to            2  itime      151257 
   itsplit           1
- acceleration/energy drift too large   2.33077104730860     
-   13.8970709346109       split increased to            2  itime      151490 
+ acceleration/energy drift too large   2.29414681107614     
+   17.5857515168356       split increased to            2  itime      151483 
   itsplit           1
 Momenta zeroed out, time            30399.80
- acceleration/energy drift too large   3.31287893592942     
-   20.2237746091617       split increased to            2  itime      152459 
+ acceleration/energy drift too large   6.63230798036879     
+   17.6928094057715       split increased to            2  itime      152605 
+  itsplit           1
+ acceleration/energy drift too large   4.77907172600580     
+   11.5437685021696       split increased to            2  itime      152639 
   itsplit           1
 Momenta zeroed out, time            30599.80
- acceleration/energy drift too large   4.07094184964961     
-   10.3247401263950       split increased to            2  itime      153904 
+ acceleration/energy drift too large   9.13240044326293     
+   32.1249476879535       split increased to            2  itime      153253 
   itsplit           1
 Momenta zeroed out, time            30799.80
- acceleration/energy drift too large   10.9885712314175     
-   51.2966862498001       split increased to            2  itime      154186 
+ acceleration/energy drift too large   4.68658655017699     
+   12.5128469023828       split increased to            2  itime      154132 
   itsplit           1
- acceleration/energy drift too large   3.16822672425484     
-   22.2137122050265       split increased to            2  itime      154551 
+ acceleration/energy drift too large   4.51172711304084     
+   20.6813955463282       split increased to            2  itime      154215 
   itsplit           1
-Momenta zeroed out, time            30999.80
- acceleration/energy drift too large   4.07276915562966     
-   15.9577735639987       split increased to            2  itime      155133 
+ acceleration/energy drift too large   9.38961169778935     
+   42.1863370452636       split increased to            2  itime      154925 
   itsplit           1
- acceleration/energy drift too large   7.20981588320659     
-   18.6965458944827       split increased to            2  itime      155776 
+Momenta zeroed out, time            30999.80
+ acceleration/energy drift too large   8.71137950342191     
+   37.7038858878711       split increased to            2  itime      155900 
   itsplit           1
 Momenta zeroed out, time            31199.80
- acceleration/energy drift too large   3.57438932081158     
-   10.7464307822581       split increased to            2  itime      156466 
-  itsplit           1
- acceleration/energy drift too large   12.6703113059492     
-   84.4354678245961       split increased to            2  itime      156528 
-  itsplit           1
- acceleration/energy drift too large   3.03980858364896     
-   19.4972377814412       split increased to            4  itime      156528 
-  itsplit           2
 Momenta zeroed out, time            31399.80
 Momenta zeroed out, time            31599.80
- acceleration/energy drift too large   7.00489340114324     
-   31.4458128373980       split increased to            2  itime      158746 
-  itsplit           1
 Momenta zeroed out, time            31799.80
- acceleration/energy drift too large   4.29340362940141     
-   14.3239535936416       split increased to            2  itime      159062 
+ acceleration/energy drift too large   9.57257443235817     
+   46.0819845459176       split increased to            2  itime      159875 
   itsplit           1
 Velocities reset to random values, time            31999.80
 Momenta zeroed out, time            31999.80
- acceleration/energy drift too large   13.6203066952099     
-   65.4884340529516       split increased to            2  itime      160734 
+ acceleration/energy drift too large   1.72659044053654     
+   14.2926157639168       split increased to            2  itime      160245 
   itsplit           1
- acceleration/energy drift too large   3.06595822173456     
-   14.3228161317522       split increased to            4  itime      160734 
-  itsplit           2
- acceleration/energy drift too large   9.57740088375796     
-   46.4758164860952       split increased to            2  itime      160952 
+ acceleration/energy drift too large   5.45403293134387     
+   38.5799870138351       split increased to            2  itime      160248 
   itsplit           1
-Momenta zeroed out, time            32199.80
- acceleration/energy drift too large   6.46064665912447     
-   22.8623660077560       split increased to            2  itime      161217 
+ acceleration/energy drift too large   3.17569666108872     
+   10.6342911661842       split increased to            2  itime      160284 
   itsplit           1
- acceleration/energy drift too large   3.53591906262935     
-   17.4016056109413       split increased to            2  itime      161905 
+Momenta zeroed out, time            32199.80
+ acceleration/energy drift too large   11.1724451361108     
+   43.4675562085097       split increased to            2  itime      161834 
   itsplit           1
 Momenta zeroed out, time            32399.80
- acceleration/energy drift too large   5.31518890292425     
-   10.9409744115045       split increased to            2  itime      162684 
+ acceleration/energy drift too large   4.30897155461592     
+   20.5347250014068       split increased to            2  itime      162792 
   itsplit           1
 Momenta zeroed out, time            32599.80
- acceleration/energy drift too large   4.84493957617303     
-   31.8283932719604       split increased to            2  itime      163361 
+Momenta zeroed out, time            32799.80
+ acceleration/energy drift too large   4.28229212845948     
+   23.1604888049246       split increased to            2  itime      164653 
   itsplit           1
- acceleration/energy drift too large   4.13663229493519     
-   11.8174550059259       split increased to            2  itime      163806 
+ acceleration/energy drift too large   5.21549445292121     
+   14.5353858300292       split increased to            2  itime      164974 
   itsplit           1
-Momenta zeroed out, time            32799.80
- acceleration/energy drift too large   5.01531359202247     
-   27.5523752230894       split increased to            2  itime      164088 
+Momenta zeroed out, time            32999.80
+ acceleration/energy drift too large   3.90257853784627     
+   17.3582432531761       split increased to            2  itime      165037 
   itsplit           1
- acceleration/energy drift too large   4.25868481710140     
-   12.4754127834652       split increased to            2  itime      164294 
+ acceleration/energy drift too large   4.18701684704562     
+   18.9502778510139       split increased to            2  itime      165443 
   itsplit           1
- acceleration/energy drift too large   3.41810065940467     
-   13.0952704950005       split increased to            2  itime      164686 
+ acceleration/energy drift too large   5.35836886651087     
+   14.6597958376715       split increased to            2  itime      165645 
   itsplit           1
-Momenta zeroed out, time            32999.80
-Momenta zeroed out, time            33199.80
- acceleration/energy drift too large   4.50006170412070     
-   10.2227303590058       split increased to            2  itime      166756 
+ acceleration/energy drift too large   5.08410877569628     
+   15.3065307134581       split increased to            2  itime      165888 
   itsplit           1
- acceleration/energy drift too large   5.04325902674383     
-   13.0295941780520       split increased to            2  itime      166864 
+Momenta zeroed out, time            33199.80
+ acceleration/energy drift too large   4.08857486676284     
+   16.3363129584216       split increased to            2  itime      166993 
   itsplit           1
 Momenta zeroed out, time            33399.80
 Momenta zeroed out, time            33599.80
-Momenta zeroed out, time            33799.80
- acceleration/energy drift too large   2.71437087816448     
-   11.1443106203203       split increased to            2  itime      169085 
+ acceleration/energy drift too large   2.50862740008297     
+   11.6742330142856       split increased to            2  itime      168112 
+  itsplit           1
+ acceleration/energy drift too large   4.17117951180990     
+   12.4873588130376       split increased to            2  itime      168893 
   itsplit           1
- acceleration/energy drift too large   3.13764982834309     
-   10.2454565265556       split increased to            2  itime      169114 
+ acceleration/energy drift too large   3.84694176393490     
+   12.7751877130367       split increased to            2  itime      168894 
   itsplit           1
- acceleration/energy drift too large   9.85787320392133     
-   43.6415647454676       split increased to            2  itime      169281 
+ acceleration/energy drift too large   4.09158269591296     
+   11.0211894614285       split increased to            2  itime      168925 
+  itsplit           1
+Momenta zeroed out, time            33799.80
+ acceleration/energy drift too large   2.63628862519550     
+   10.2150207715864       split increased to            2  itime      169152 
   itsplit           1
 Velocities reset to random values, time            33999.80
 Momenta zeroed out, time            33999.80
- acceleration/energy drift too large   5.81904258490222     
-   13.6302132975050       split increased to            2  itime      170301 
+ acceleration/energy drift too large   3.21644650836067     
+   10.8918835340224       split increased to            2  itime      170105 
+  itsplit           1
+ acceleration/energy drift too large   7.00175496518921     
+   19.2902462001956       split increased to            2  itime      170331 
+  itsplit           1
+ acceleration/energy drift too large   7.77927726916554     
+   25.9403625751373       split increased to            2  itime      170542 
   itsplit           1
 Momenta zeroed out, time            34199.80
- acceleration/energy drift too large   12.7022231045222     
-   94.7785292344445       split increased to            2  itime      171111 
+ acceleration/energy drift too large   3.07865831617200     
+   19.3488779549674       split increased to            2  itime      171299 
   itsplit           1
- acceleration/energy drift too large   6.33451032840625     
-   21.7071912994911       split increased to            2  itime      171578 
+ acceleration/energy drift too large   2.22975005333051     
+   15.1313153388715       split increased to            2  itime      171474 
   itsplit           1
-Momenta zeroed out, time            34399.80
- acceleration/energy drift too large   6.94247467169918     
-   20.8693456517213       split increased to            2  itime      172039 
+ acceleration/energy drift too large   3.32115908308631     
+   25.5450469688950       split increased to            2  itime      171667 
   itsplit           1
- acceleration/energy drift too large   4.98391454657265     
-   19.2991035865439       split increased to            2  itime      172241 
+Momenta zeroed out, time            34399.80
+ acceleration/energy drift too large   7.58457712456134     
+   21.3939103985200       split increased to            2  itime      172112 
   itsplit           1
- acceleration/energy drift too large   8.28944301167496     
-   19.4829549927555       split increased to            2  itime      172371 
+ acceleration/energy drift too large   10.0852871285398     
+   38.3522140593119       split increased to            2  itime      172529 
   itsplit           1
- acceleration/energy drift too large   4.70382294010499     
-   14.6314786626484       split increased to            2  itime      172557 
+ acceleration/energy drift too large   6.23567169056635     
+   10.6287123262956       split increased to            2  itime      172643 
   itsplit           1
 Momenta zeroed out, time            34599.80
+ acceleration/energy drift too large   3.53056661330561     
+   14.5544666724429       split increased to            2  itime      173446 
+  itsplit           1
 Momenta zeroed out, time            34799.80
- acceleration/energy drift too large   10.6381681746897     
-   43.6329313839326       split increased to            2  itime      174486 
+ acceleration/energy drift too large   4.64583117812649     
+   13.1025737699320       split increased to            2  itime      174202 
   itsplit           1
-Momenta zeroed out, time            34999.80
- acceleration/energy drift too large   4.16158631204464     
-   24.0019464415609       split increased to            2  itime      175159 
+ acceleration/energy drift too large   3.87592771160249     
+   17.1076068582489       split increased to            2  itime      174401 
   itsplit           1
- acceleration/energy drift too large   13.1587351096875     
-   79.1257688967183       split increased to            2  itime      175634 
+Momenta zeroed out, time            34999.80
+ acceleration/energy drift too large   4.60422666197856     
+   27.9678783204944       split increased to            2  itime      175259 
   itsplit           1
- acceleration/energy drift too large   3.11220761045152     
-   18.2136633827942       split increased to            4  itime      175634 
-  itsplit           2
 Momenta zeroed out, time            35199.80
- acceleration/energy drift too large   5.93380911313202     
-   30.0641443059492       split increased to            2  itime      176229 
+ acceleration/energy drift too large   10.3434770610377     
+   70.7191626831078       split increased to            2  itime      176864 
   itsplit           1
 Momenta zeroed out, time            35399.80
- acceleration/energy drift too large   7.19123129388440     
-   31.7067710573024       split increased to            2  itime      177279 
+ acceleration/energy drift too large   3.42928041703622     
+   10.2921971566402       split increased to            2  itime      177524 
   itsplit           1
- acceleration/energy drift too large   2.23476120658936     
-   14.0848207619895       split increased to            2  itime      177912 
+ acceleration/energy drift too large   2.40635292066560     
+   11.0591460069226       split increased to            2  itime      177866 
   itsplit           1
 Momenta zeroed out, time            35599.80
 Momenta zeroed out, time            35799.80
- acceleration/energy drift too large   6.13544235496787     
-   17.6330889046339       split increased to            2  itime      179172 
-  itsplit           1
- acceleration/energy drift too large   1.96592521209431     
-   11.2351577732573       split increased to            2  itime      179173 
-  itsplit           1
- acceleration/energy drift too large   9.03481915411090     
-   27.6667494392130       split increased to            2  itime      179496 
-  itsplit           1
- acceleration/energy drift too large   3.52971769006452     
-   23.2411371348733       split increased to            4  itime      179496 
-  itsplit           1
- acceleration/energy drift too large   13.9773966645487     
-   88.5265949058009       split increased to            2  itime      179668 
+ acceleration/energy drift too large   4.09914290556178     
+   12.5570733402713       split increased to            2  itime      179557 
   itsplit           1
 Velocities reset to random values, time            35999.80
 Momenta zeroed out, time            35999.80
-Momenta zeroed out, time            36199.80
- acceleration/energy drift too large   8.47121040992703     
-   33.7874460165843       split increased to            2  itime      181520 
-  itsplit           1
-Momenta zeroed out, time            36399.80
- acceleration/energy drift too large   10.9287963492629     
-   32.6647495317634       split increased to            2  itime      182501 
+ acceleration/energy drift too large   6.06933744035320     
+   18.4084775300090       split increased to            2  itime      180762 
   itsplit           1
-Momenta zeroed out, time            36599.80
- acceleration/energy drift too large   5.53997680549864     
-   25.5723437135700       split increased to            2  itime      183062 
+ acceleration/energy drift too large   1.92489082169195     
+   13.7213894710498       split increased to            2  itime      180865 
   itsplit           1
- acceleration/energy drift too large   3.06412400795800     
-   16.7963602684657       split increased to            2  itime      183063 
+Momenta zeroed out, time            36199.80
+Momenta zeroed out, time            36399.80
+ acceleration/energy drift too large   3.64121401663075     
+   13.2620125078547       split increased to            2  itime      182200 
   itsplit           1
- acceleration/energy drift too large   6.14566813397186     
-   18.3263543484045       split increased to            2  itime      183952 
+ acceleration/energy drift too large   11.5984348858878     
+   62.7742152239410       split increased to            2  itime      182468 
   itsplit           1
+Momenta zeroed out, time            36599.80
 Momenta zeroed out, time            36799.80
- acceleration/energy drift too large   13.4901288929249     
-   69.7413548348053       split increased to            2  itime      184515 
+ acceleration/energy drift too large   6.78549022762438     
+   14.4595119126218       split increased to            2  itime      184779 
   itsplit           1
- acceleration/energy drift too large   3.12294445114595     
-   14.9816530668945       split increased to            4  itime      184515 
-  itsplit           2
 Momenta zeroed out, time            36999.80
+ acceleration/energy drift too large   9.29083623480446     
+   35.0485165744211       split increased to            2  itime      185495 
+  itsplit           1
 Momenta zeroed out, time            37199.80
+ acceleration/energy drift too large   9.31285124410662     
+   40.3782540413164       split increased to            2  itime      186051 
+  itsplit           1
 Momenta zeroed out, time            37399.80
+ acceleration/energy drift too large   11.9760291250194     
+   52.6747937213334       split increased to            2  itime      187860 
+  itsplit           1
+ acceleration/energy drift too large   2.73078011663914     
+   12.2156087166123       split increased to            4  itime      187860 
+  itsplit           2
 Momenta zeroed out, time            37599.80
+ acceleration/energy drift too large   4.29224878201725     
+   15.9052546125250       split increased to            2  itime      188431 
+  itsplit           1
+ acceleration/energy drift too large   5.72014193858112     
+   10.1327248648157       split increased to            2  itime      188571 
+  itsplit           1
+ acceleration/energy drift too large   3.62524019234495     
+   10.9786167340866       split increased to            2  itime      188572 
+  itsplit           1
 Momenta zeroed out, time            37799.80
 Velocities reset to random values, time            37999.80
 Momenta zeroed out, time            37999.80
- acceleration/energy drift too large   3.26409660137269     
-   12.5569080973976       split increased to            2  itime      190161 
-  itsplit           1
- acceleration/energy drift too large   4.67919315651668     
-   10.8090341577192       split increased to            2  itime      190725 
+ acceleration/energy drift too large   5.81316483194300     
+   19.4581560131967       split increased to            2  itime      190291 
   itsplit           1
 Momenta zeroed out, time            38199.80
- acceleration/energy drift too large   2.59921199040908     
-   12.7131478089871       split increased to            2  itime      191003 
+ acceleration/energy drift too large   8.47161161055381     
+   29.5039992896301       split increased to            2  itime      191312 
   itsplit           1
-Momenta zeroed out, time            38399.80
- acceleration/energy drift too large   6.38383933284636     
-   19.2516889577003       split increased to            2  itime      192260 
+ acceleration/energy drift too large   3.94117334717351     
+   13.1448306271964       split increased to            2  itime      191705 
   itsplit           1
- acceleration/energy drift too large   2.18342478116105     
-   11.2963528601776       split increased to            2  itime      192591 
+Momenta zeroed out, time            38399.80
+ acceleration/energy drift too large   6.91782093804759     
+   19.3239449939949       split increased to            2  itime      192382 
   itsplit           1
- acceleration/energy drift too large   3.75579374144555     
-   11.7165991695191       split increased to            2  itime      192669 
+ acceleration/energy drift too large   4.23886919301626     
+   21.3725679020572       split increased to            2  itime      192968 
   itsplit           1
 Momenta zeroed out, time            38599.80
+ acceleration/energy drift too large   1.55605698568098     
+   10.4386103200302       split increased to            2  itime      193143 
+  itsplit           1
+ acceleration/energy drift too large   4.78637636211000     
+   10.6372871987278       split increased to            2  itime      193540 
+  itsplit           1
+ acceleration/energy drift too large   4.88215287513171     
+   13.6468042117304       split increased to            2  itime      193716 
+  itsplit           1
+ acceleration/energy drift too large   3.26694379657877     
+   10.8568119992815       split increased to            2  itime      193859 
+  itsplit           1
+ acceleration/energy drift too large   9.60931118817202     
+   37.3734922236775       split increased to            2  itime      193914 
+  itsplit           1
+ acceleration/energy drift too large   2.23245397843320     
+   10.6649110182686       split increased to            4  itime      193914 
+  itsplit           2
 Momenta zeroed out, time            38799.80
-Momenta zeroed out, time            38999.80
- acceleration/energy drift too large   7.13961251391431     
-   30.2361219192658       split increased to            2  itime      195229 
+ acceleration/energy drift too large   3.93287320473147     
+   10.2009347602075       split increased to            2  itime      194094 
   itsplit           1
- acceleration/energy drift too large   7.27023954816997     
-   53.3277490578744       split increased to            2  itime      195560 
+ acceleration/energy drift too large   4.24736626525027     
+   16.6947939618145       split increased to            2  itime      194763 
   itsplit           1
- acceleration/energy drift too large   6.47388428581257     
-   45.1894962795359       split increased to            2  itime      195771 
+Momenta zeroed out, time            38999.80
+ acceleration/energy drift too large   3.96332728362274     
+   11.4197689459821       split increased to            2  itime      195299 
   itsplit           1
 Momenta zeroed out, time            39199.80
- acceleration/energy drift too large   4.17194268883034     
-   16.3372531670221       split increased to            2  itime      196332 
+ acceleration/energy drift too large   9.55416029199940     
+   38.5604040856894       split increased to            2  itime      196737 
   itsplit           1
 Momenta zeroed out, time            39399.80
- acceleration/energy drift too large   8.18744462145917     
-   54.7931667958821       split increased to            2  itime      197481 
+ acceleration/energy drift too large   3.24580541454693     
+   12.7551872586598       split increased to            2  itime      197692 
   itsplit           1
 Momenta zeroed out, time            39599.80
- acceleration/energy drift too large   3.00265576753007     
-   10.2037019895346       split increased to            2  itime      198920 
-  itsplit           1
 Momenta zeroed out, time            39799.80
+ acceleration/energy drift too large   12.0699117633565     
+   59.4405205056311       split increased to            2  itime      199158 
+  itsplit           1
+ acceleration/energy drift too large   5.88598440307793     
+   30.0498621228999       split increased to            2  itime      199368 
+  itsplit           1
+ acceleration/energy drift too large   2.60279602323385     
+   12.3228654905670       split increased to            2  itime      199530 
+  itsplit           1
 Velocities reset to random values, time            39999.80
 Momenta zeroed out, time            39999.80
- acceleration/energy drift too large   3.63551699217190     
-   19.5529436648636       split increased to            2  itime      200502 
+ acceleration/energy drift too large   2.30669030808231     
+   12.6751195282115       split increased to            2  itime      200142 
   itsplit           1
 Momenta zeroed out, time            40199.80
- acceleration/energy drift too large   2.66405580180494     
-   12.0440722227718       split increased to            2  itime      201626 
+ acceleration/energy drift too large   5.00821966021797     
+   22.4664469625453       split increased to            2  itime      201153 
   itsplit           1
- acceleration/energy drift too large   9.38713037199493     
-   45.0758352392611       split increased to            2  itime      201647 
+ acceleration/energy drift too large   5.12031763796764     
+   24.0017005754175       split increased to            2  itime      201795 
   itsplit           1
 Momenta zeroed out, time            40399.80
- acceleration/energy drift too large   10.3791868316140     
-   55.6398786177261       split increased to            2  itime      202323 
-  itsplit           1
- acceleration/energy drift too large   3.84302689691691     
-   10.1531538317662       split increased to            2  itime      202339 
-  itsplit           1
- acceleration/energy drift too large   6.01244552254458     
-   38.6250303024172       split increased to            2  itime      202361 
-  itsplit           1
- acceleration/energy drift too large   4.76692741066418     
-   33.9810780986416       split increased to            2  itime      202574 
-  itsplit           1
- acceleration/energy drift too large   2.34214797122962     
-   14.7130988911141       split increased to            2  itime      202580 
-  itsplit           1
 Momenta zeroed out, time            40599.80
- acceleration/energy drift too large   4.15007754871317     
-   17.1411432313875       split increased to            2  itime      203761 
-  itsplit           1
- acceleration/energy drift too large   5.41743759461349     
-   28.4303467544595       split increased to            2  itime      203820 
+ acceleration/energy drift too large   5.62931188327500     
+   24.0813522454335       split increased to            2  itime      203666 
   itsplit           1
 Momenta zeroed out, time            40799.80
- acceleration/energy drift too large   4.36231443882741     
-   16.4830299899888       split increased to            2  itime      204247 
+ acceleration/energy drift too large   5.35967371786638     
+   12.9260576021545       split increased to            2  itime      204286 
   itsplit           1
- acceleration/energy drift too large   4.16824922794672     
-   11.3283004168318       split increased to            2  itime      204282 
+ acceleration/energy drift too large   5.06393373580347     
+   23.2934849644004       split increased to            2  itime      204441 
+  itsplit           1
+ acceleration/energy drift too large   4.72001873124241     
+   11.7989826501105       split increased to            2  itime      204698 
+  itsplit           1
+ acceleration/energy drift too large   2.35621592037312     
+   12.9301453554625       split increased to            2  itime      204793 
   itsplit           1
 Momenta zeroed out, time            40999.80
- acceleration/energy drift too large   4.42636776307874     
-   14.4928653848045       split increased to            2  itime      205576 
+ acceleration/energy drift too large   6.21019671500641     
+   14.2882254584720       split increased to            2  itime      205383 
   itsplit           1
- acceleration/energy drift too large   8.92012588904150     
-   39.6619669673581       split increased to            2  itime      205858 
+ acceleration/energy drift too large   4.34076577012868     
+   10.9982123041851       split increased to            2  itime      205827 
+  itsplit           1
+ acceleration/energy drift too large   6.25118279998509     
+   37.8377670580727       split increased to            2  itime      205885 
   itsplit           1
 Momenta zeroed out, time            41199.80
 Momenta zeroed out, time            41399.80
 Momenta zeroed out, time            41599.80
- acceleration/energy drift too large   2.19105656036129     
-   12.2135837307793       split increased to            2  itime      208547 
+ acceleration/energy drift too large   6.12594098670735     
+   23.9943909111958       split increased to            2  itime      208485 
   itsplit           1
 Momenta zeroed out, time            41799.80
- acceleration/energy drift too large   5.69318067305240     
-   14.6637761098464       split increased to            2  itime      209055 
+ acceleration/energy drift too large   3.35184284467215     
+   14.8201524335598       split increased to            2  itime      209289 
+  itsplit           1
+ acceleration/energy drift too large   3.86385106939817     
+   16.6319817644859       split increased to            2  itime      209356 
   itsplit           1
 Velocities reset to random values, time            41999.80
 Momenta zeroed out, time            41999.80
- acceleration/energy drift too large   6.92167246474878     
-   33.7009962607924       split increased to            2  itime      210070 
-  itsplit           1
- acceleration/energy drift too large   2.25214381748567     
-   11.8402304407056       split increased to            2  itime      210920 
+ acceleration/energy drift too large   10.6613410891172     
+   57.7524749906862       split increased to            2  itime      210659 
   itsplit           1
 Momenta zeroed out, time            42199.80
- acceleration/energy drift too large   15.4064880639904     
-   116.242335751535       split increased to            2  itime      211132 
-  itsplit           1
- acceleration/energy drift too large   9.94770492331418     
-   43.4459685673310       split increased to            2  itime      211487 
+ acceleration/energy drift too large   3.92612404729884     
+   10.9022062094595       split increased to            2  itime      211104 
   itsplit           1
- acceleration/energy drift too large   4.00727726385238     
-   20.1552667734028       split increased to            2  itime      211932 
+ acceleration/energy drift too large   5.09290797820448     
+   11.5633561535220       split increased to            2  itime      211156 
   itsplit           1
 Momenta zeroed out, time            42399.80
+ acceleration/energy drift too large   6.76280815997120     
+   17.4880739588598       split increased to            2  itime      212907 
+  itsplit           1
 Momenta zeroed out, time            42599.80
- acceleration/energy drift too large   3.89769986155545     
-   17.3469404460627       split increased to            2  itime      213703 
+ acceleration/energy drift too large   9.27179459308263     
+   36.9714202197277       split increased to            2  itime      213685 
   itsplit           1
- acceleration/energy drift too large   4.41546804478418     
-   12.4508782381648       split increased to            2  itime      213827 
+ acceleration/energy drift too large   3.87263903415665     
+   10.8203412929000       split increased to            2  itime      213835 
   itsplit           1
 Momenta zeroed out, time            42799.80
+ acceleration/energy drift too large   5.00431715573328     
+   18.9567225314874       split increased to            2  itime      214566 
+  itsplit           1
+ acceleration/energy drift too large   6.63559442421920     
+   18.1487993843091       split increased to            2  itime      214725 
+  itsplit           1
 Momenta zeroed out, time            42999.80
 Momenta zeroed out, time            43199.80
- acceleration/energy drift too large   5.76633647172807     
-   14.7713412095698       split increased to            2  itime      216880 
+ acceleration/energy drift too large   4.71287497361558     
+   10.4120484241123       split increased to            2  itime      216248 
   itsplit           1
-Momenta zeroed out, time            43399.80
- acceleration/energy drift too large   5.81733290273377     
-   15.9230881785406       split increased to            2  itime      217267 
+ acceleration/energy drift too large   2.84859860608641     
+   14.7158164312629       split increased to            2  itime      216249 
+  itsplit           1
+ acceleration/energy drift too large   10.1222270050970     
+   45.6747671537753       split increased to            2  itime      216441 
+  itsplit           1
+ acceleration/energy drift too large   6.57366358920726     
+   26.5302664859976       split increased to            2  itime      216908 
   itsplit           1
+Momenta zeroed out, time            43399.80
 Momenta zeroed out, time            43599.80
- acceleration/energy drift too large   12.3686457503795     
-   69.5966268659435       split increased to            2  itime      218701 
+ acceleration/energy drift too large   3.94258038155784     
+   10.8108908146937       split increased to            2  itime      218006 
   itsplit           1
-Momenta zeroed out, time            43799.80
- acceleration/energy drift too large   5.29967297075801     
-   17.4787384384896       split increased to            2  itime      219509 
+ acceleration/energy drift too large   7.03625191801886     
+   17.3225047740224       split increased to            2  itime      218527 
   itsplit           1
+ acceleration/energy drift too large   3.53719977533229     
+   14.4297892015097       split increased to            2  itime      218597 
+  itsplit           1
+Momenta zeroed out, time            43799.80
 Velocities reset to random values, time            43999.80
 Momenta zeroed out, time            43999.80
- acceleration/energy drift too large   2.36876232305070     
-   14.0570309499716       split increased to            2  itime      220693 
+ acceleration/energy drift too large   3.98203137413549     
+   11.3730875543312       split increased to            2  itime      220433 
+  itsplit           1
+ acceleration/energy drift too large   5.29551856810062     
+   19.6458883092366       split increased to            2  itime      220452 
+  itsplit           1
+ acceleration/energy drift too large   4.28839225846330     
+   11.3398835327802       split increased to            2  itime      220753 
+  itsplit           1
+ acceleration/energy drift too large   3.87451563638960     
+   17.4830681433624       split increased to            2  itime      220754 
   itsplit           1
 Momenta zeroed out, time            44199.80
+ acceleration/energy drift too large   3.61709320899344     
+   11.4725264070836       split increased to            2  itime      221059 
+  itsplit           1
 Momenta zeroed out, time            44399.80
- acceleration/energy drift too large   4.96039371270733     
-   23.1657633710250       split increased to            2  itime      222594 
+ acceleration/energy drift too large   2.45382992877946     
+   19.1060024511213       split increased to            2  itime      222691 
+  itsplit           1
+ acceleration/energy drift too large   2.74221037905275     
+   15.0462108449802       split increased to            2  itime      222692 
   itsplit           1
 Momenta zeroed out, time            44599.80
- acceleration/energy drift too large   9.34235363214840     
-   27.9843530914890       split increased to            2  itime      223209 
+ acceleration/energy drift too large   9.45891272822712     
+   42.8566898157399       split increased to            2  itime      223453 
   itsplit           1
-Momenta zeroed out, time            44799.80
- acceleration/energy drift too large   11.5007800769588     
-   42.7265951845399       split increased to            2  itime      224534 
+ acceleration/energy drift too large   6.47619708885763     
+   10.5571298510021       split increased to            2  itime      223469 
   itsplit           1
+Momenta zeroed out, time            44799.80
 Momenta zeroed out, time            44999.80
- acceleration/energy drift too large   4.09909806264711     
-   19.7047036037650       split increased to            2  itime      225070 
-  itsplit           1
- acceleration/energy drift too large   5.23565535878851     
-   29.2211808749745       split increased to            2  itime      225327 
+ acceleration/energy drift too large   6.90837163692961     
+   17.8343896497653       split increased to            2  itime      225101 
   itsplit           1
 Momenta zeroed out, time            45199.80
- acceleration/energy drift too large   4.28804097643868     
-   14.2018974219050       split increased to            2  itime      226037 
+ acceleration/energy drift too large   8.39340079615936     
+   38.1666186431527       split increased to            2  itime      226000 
   itsplit           1
- acceleration/energy drift too large   3.82997143396628     
-   12.0842232593603       split increased to            2  itime      226377 
+ acceleration/energy drift too large   5.05738651816310     
+   31.1560174591760       split increased to            2  itime      226031 
   itsplit           1
 Momenta zeroed out, time            45399.80
- acceleration/energy drift too large   7.40915661303582     
-   19.5288682044466       split increased to            2  itime      227540 
-  itsplit           1
 Momenta zeroed out, time            45599.80
 Momenta zeroed out, time            45799.80
- acceleration/energy drift too large   3.95087033487040     
-   10.1555966622124       split increased to            2  itime      229520 
-  itsplit           1
- acceleration/energy drift too large   4.06943554829563     
-   13.8201154498586       split increased to            2  itime      229681 
-  itsplit           1
- acceleration/energy drift too large   6.49924623448010     
-   29.1074345357983       split increased to            2  itime      229859 
+ acceleration/energy drift too large   5.79138350636493     
+   13.9556640296940       split increased to            2  itime      229419 
   itsplit           1
 Velocities reset to random values, time            45999.80
 Momenta zeroed out, time            45999.80
- acceleration/energy drift too large   3.55835583174003     
-   13.7901265406628       split increased to            2  itime      230286 
-  itsplit           1
 Momenta zeroed out, time            46199.80
- acceleration/energy drift too large   2.82214577349842     
-   20.2370571082775       split increased to            2  itime      231521 
+ acceleration/energy drift too large   4.52684854362671     
+   13.7955615521376       split increased to            2  itime      231661 
   itsplit           1
 Momenta zeroed out, time            46399.80
- acceleration/energy drift too large   4.67901781888027     
-   10.8587093574812       split increased to            2  itime      232604 
+ acceleration/energy drift too large   8.42150473030221     
+   25.1597889481761       split increased to            2  itime      232644 
   itsplit           1
 Momenta zeroed out, time            46599.80
- acceleration/energy drift too large   2.44861661163914     
-   13.5032238089293       split increased to            2  itime      233119 
+ acceleration/energy drift too large   2.82553395480880     
+   12.2343063489694       split increased to            2  itime      233426 
   itsplit           1
- acceleration/energy drift too large   5.14094940346062     
-   14.8328139667638       split increased to            2  itime      233787 
+ acceleration/energy drift too large   4.22671797130614     
+   15.3025173881082       split increased to            2  itime      233502 
+  itsplit           1
+ acceleration/energy drift too large   6.57628570033561     
+   14.1598972196408       split increased to            2  itime      233596 
   itsplit           1
 Momenta zeroed out, time            46799.80
+ acceleration/energy drift too large   6.46032873642088     
+   18.8848816357244       split increased to            2  itime      234311 
+  itsplit           1
 Momenta zeroed out, time            46999.80
- acceleration/energy drift too large   5.30776534531832     
-   14.7091893961298       split increased to            2  itime      235581 
+ acceleration/energy drift too large   11.9318533216930     
+   66.4458677931964       split increased to            2  itime      235230 
   itsplit           1
 Momenta zeroed out, time            47199.80
-Momenta zeroed out, time            47399.80
- acceleration/energy drift too large   1.94261001298698     
-   10.4403352708675       split increased to            2  itime      237692 
+ acceleration/energy drift too large   2.10646612370286     
+   16.9695222469056       split increased to            2  itime      236130 
+  itsplit           1
+ acceleration/energy drift too large   9.29997061261125     
+   39.3736073929747       split increased to            2  itime      236388 
   itsplit           1
+ acceleration/energy drift too large   2.41094539300724     
+   10.4217100730471       split increased to            4  itime      236388 
+  itsplit           2
+Momenta zeroed out, time            47399.80
 Momenta zeroed out, time            47599.80
- acceleration/energy drift too large   2.39085116821154     
-   16.0692951428006       split increased to            2  itime      238592 
+ acceleration/energy drift too large   1.95673614076995     
+   10.7499620432281       split increased to            2  itime      238958 
   itsplit           1
 Momenta zeroed out, time            47799.80
- acceleration/energy drift too large   5.15117267175637     
-   17.8174260921233       split increased to            2  itime      239069 
-  itsplit           1
- acceleration/energy drift too large   1.80771090998202     
-   10.9169340508257       split increased to            2  itime      239411 
-  itsplit           1
 Velocities reset to random values, time            47999.80
 Momenta zeroed out, time            47999.80
 Momenta zeroed out, time            48199.80
- acceleration/energy drift too large   5.95965315361096     
-   12.6361775315608       split increased to            2  itime      241431 
+ acceleration/energy drift too large   4.84835969576630     
+   11.1262818048938       split increased to            2  itime      241522 
   itsplit           1
 Momenta zeroed out, time            48399.80
- acceleration/energy drift too large   2.63764629756662     
-   12.8676355101995       split increased to            2  itime      242681 
-  itsplit           1
 Momenta zeroed out, time            48599.80
- acceleration/energy drift too large   5.23005027840175     
-   11.5980404311760       split increased to            2  itime      243987 
-  itsplit           1
 Momenta zeroed out, time            48799.80
+ acceleration/energy drift too large   12.3105297078034     
+   75.9352275726164       split increased to            2  itime      244062 
+  itsplit           1
 Momenta zeroed out, time            48999.80
- acceleration/energy drift too large   4.50343331510752     
-   10.6830116522490       split increased to            2  itime      245018 
+Momenta zeroed out, time            49199.80
+ acceleration/energy drift too large   2.32674090101069     
+   12.7813785097248       split increased to            2  itime      246348 
   itsplit           1
- acceleration/energy drift too large   3.02200064338287     
-   10.7724609854837       split increased to            2  itime      245434 
+ acceleration/energy drift too large   3.46868247258627     
+   23.8297918966766       split increased to            2  itime      246357 
   itsplit           1
- acceleration/energy drift too large   7.43367608640420     
-   19.8701974120976       split increased to            2  itime      245750 
+ acceleration/energy drift too large   5.65925388055368     
+   28.4763031333915       split increased to            2  itime      246823 
   itsplit           1
- acceleration/energy drift too large   2.37997475223723     
-   10.7684568719841       split increased to            2  itime      245804 
+ acceleration/energy drift too large   5.87586436054454     
+   19.3251906994235       split increased to            2  itime      246917 
   itsplit           1
-Momenta zeroed out, time            49199.80
 Momenta zeroed out, time            49399.80
-Momenta zeroed out, time            49599.80
- acceleration/energy drift too large   4.79728730516091     
-   16.3376989592632       split increased to            2  itime      248622 
+ acceleration/energy drift too large   4.11630007584883     
+   18.1709113105939       split increased to            2  itime      247554 
   itsplit           1
- acceleration/energy drift too large   4.69666165357769     
-   23.3257162189919       split increased to            2  itime      248624 
+ acceleration/energy drift too large   2.58264773941050     
+   13.7417397445146       split increased to            2  itime      247858 
+  itsplit           1
+Momenta zeroed out, time            49599.80
+ acceleration/energy drift too large   5.42326411574408     
+   29.4240899519365       split increased to            2  itime      248646 
   itsplit           1
 Momenta zeroed out, time            49799.80
- acceleration/energy drift too large   4.42129940197691     
-   11.8924734598269       split increased to            2  itime      249609 
+ acceleration/energy drift too large   6.08428013867391     
+   35.0165985382113       split increased to            2  itime      249181 
   itsplit           1
-Velocities reset to random values, time            49999.80
-Momenta zeroed out, time            49999.80
- acceleration/energy drift too large   4.45057758209275     
-   10.4518018765066       split increased to            2  itime      250295 
+ acceleration/energy drift too large   4.56683407197973     
+   11.1685092726973       split increased to            2  itime      249409 
   itsplit           1
- acceleration/energy drift too large   2.47771935177670     
-   14.0483487702360       split increased to            2  itime      250296 
+ acceleration/energy drift too large   10.8020803892693     
+   65.7631592226627       split increased to            2  itime      249725 
   itsplit           1
+Velocities reset to random values, time            49999.80
+Momenta zeroed out, time            49999.80
 Momenta zeroed out, time            50199.80
- acceleration/energy drift too large   3.29727225615337     
-   13.2313930218604       split increased to            2  itime      251919 
+ acceleration/energy drift too large   10.8259865952669     
+   43.4202757873323       split increased to            2  itime      251732 
+  itsplit           1
+ acceleration/energy drift too large  0.590104984677934     
+   28.5538844474051       split increased to            2  itime      251733 
   itsplit           1
 Momenta zeroed out, time            50399.80
- acceleration/energy drift too large   8.36087525243994     
-   22.2737122073018       split increased to            2  itime      252615 
+ acceleration/energy drift too large   7.13618848078011     
+   19.3536279865086       split increased to            2  itime      252277 
+  itsplit           1
+ acceleration/energy drift too large   12.3021475061406     
+   70.2507422139809       split increased to            2  itime      252646 
+  itsplit           1
+ acceleration/energy drift too large   5.95874612261304     
+   16.7358840355043       split increased to            2  itime      252990 
   itsplit           1
 Momenta zeroed out, time            50599.80
+ acceleration/energy drift too large   5.82052905803442     
+   41.3244818023333       split increased to            2  itime      253124 
+  itsplit           1
+ acceleration/energy drift too large   3.15160345056342     
+   17.3036116188804       split increased to            2  itime      253398 
+  itsplit           1
+ acceleration/energy drift too large   4.25100239624435     
+   15.4868128712082       split increased to            2  itime      253728 
+  itsplit           1
+ acceleration/energy drift too large   4.78640212122442     
+   20.7556673812348       split increased to            2  itime      253894 
+  itsplit           1
 Momenta zeroed out, time            50799.80
- acceleration/energy drift too large   4.81958232865182     
-   21.1710019929420       split increased to            2  itime      254145 
+ acceleration/energy drift too large   11.7179807793045     
+   65.7110602743256       split increased to            2  itime      254477 
+  itsplit           1
+ acceleration/energy drift too large   2.60071316635165     
+   13.9312657500351       split increased to            4  itime      254477 
+  itsplit           2
+ acceleration/energy drift too large   4.29727743691183     
+   15.4727013869081       split increased to            2  itime      254957 
   itsplit           1
 Momenta zeroed out, time            50999.80
+ acceleration/energy drift too large   16.6107007257311     
+   107.847055097574       split increased to            2  itime      255756 
+  itsplit           1
+ acceleration/energy drift too large   4.11718613583317     
+   22.3806103060357       split increased to            2  itime      255939 
+  itsplit           1
+ acceleration/energy drift too large   4.61106474503185     
+   19.4053800726413       split increased to            2  itime      255999 
+  itsplit           1
 Momenta zeroed out, time            51199.80
- acceleration/energy drift too large   4.72177859896941     
-   14.4082834759691       split increased to            2  itime      256112 
+ acceleration/energy drift too large   5.65591299591593     
+   34.7311208770871       split increased to            2  itime      256001 
+  itsplit           1
+ acceleration/energy drift too large   5.81354637735724     
+   39.4841547310349       split increased to            2  itime      256044 
+  itsplit           1
+ acceleration/energy drift too large   4.74869572951037     
+   25.3129819275108       split increased to            2  itime      256688 
   itsplit           1
 Momenta zeroed out, time            51399.80
+ acceleration/energy drift too large   5.62119794471968     
+   20.7380623840067       split increased to            2  itime      257348 
+  itsplit           1
+ acceleration/energy drift too large   4.49061252615211     
+   18.3038588060633       split increased to            2  itime      257730 
+  itsplit           1
 Momenta zeroed out, time            51599.80
-Momenta zeroed out, time            51799.80
- acceleration/energy drift too large   4.69475806024663     
-   25.3939064876612       split increased to            2  itime      259830 
+ acceleration/energy drift too large   4.11951455590960     
+   18.4118954120335       split increased to            2  itime      258881 
   itsplit           1
- acceleration/energy drift too large   5.70862409787677     
-   19.4286056027733       split increased to            2  itime      259934 
+ acceleration/energy drift too large   7.57253505834075     
+   25.0317956771021       split increased to            2  itime      258913 
   itsplit           1
+Momenta zeroed out, time            51799.80
 Velocities reset to random values, time            51999.80
 Momenta zeroed out, time            51999.80
- acceleration/energy drift too large   5.56029803302229     
-   11.3377197062701       split increased to            2  itime      260446 
+ acceleration/energy drift too large   6.26469417468771     
+   14.5539871004361       split increased to            2  itime      260055 
   itsplit           1
- acceleration/energy drift too large   16.9960476401683     
-   114.933366953507       split increased to            2  itime      260897 
+ acceleration/energy drift too large   5.99229564309684     
+   17.8373652833119       split increased to            2  itime      260401 
+  itsplit           1
+ acceleration/energy drift too large   3.07838099155868     
+   11.8861544242903       split increased to            2  itime      260852 
   itsplit           1
 Momenta zeroed out, time            52199.80
 Momenta zeroed out, time            52399.80
-Momenta zeroed out, time            52599.80
- acceleration/energy drift too large   5.48468618348906     
-   22.9570202137832       split increased to            2  itime      263158 
+ acceleration/energy drift too large   5.73446489119997     
+   32.9114818960584       split increased to            2  itime      262292 
   itsplit           1
- acceleration/energy drift too large   4.86959999164188     
-   12.3406582068463       split increased to            2  itime      263719 
+ acceleration/energy drift too large   5.26316434769440     
+   19.4460453104555       split increased to            2  itime      262720 
+  itsplit           1
+Momenta zeroed out, time            52599.80
+ acceleration/energy drift too large   3.95404679517544     
+   13.1320659277323       split increased to            2  itime      263004 
   itsplit           1
 Momenta zeroed out, time            52799.80
- acceleration/energy drift too large   3.48304633288949     
-   13.0733250277576       split increased to            2  itime      264223 
+ acceleration/energy drift too large   2.78323292982467     
+   10.0269889301122       split increased to            2  itime      264785 
   itsplit           1
- acceleration/energy drift too large   6.23339012987312     
-   13.2864623590252       split increased to            2  itime      264413 
+Momenta zeroed out, time            52999.80
+ acceleration/energy drift too large   3.96150390820562     
+   21.0365411030825       split increased to            2  itime      265085 
   itsplit           1
- acceleration/energy drift too large   6.20029536569353     
-   20.7039301699751       split increased to            2  itime      264843 
+ acceleration/energy drift too large   5.09997849803698     
+   15.1169079044984       split increased to            2  itime      265629 
   itsplit           1
-Momenta zeroed out, time            52999.80
 Momenta zeroed out, time            53199.80
- acceleration/energy drift too large   6.71072546344945     
-   43.3812303327402       split increased to            2  itime      266529 
+ acceleration/energy drift too large   3.52061961333303     
+   13.9995712241848       split increased to            2  itime      266779 
   itsplit           1
 Momenta zeroed out, time            53399.80
- acceleration/energy drift too large   8.95485359764188     
-   49.8285722147062       split increased to            2  itime      267506 
+ acceleration/energy drift too large   5.99423443335058     
+   20.0958280634620       split increased to            2  itime      267693 
   itsplit           1
-Momenta zeroed out, time            53599.80
- acceleration/energy drift too large   4.27318109117370     
-   14.6507861131988       split increased to            2  itime      268039 
+ acceleration/energy drift too large   1.96766056148262     
+   11.1779947942707       split increased to            2  itime      267694 
   itsplit           1
- acceleration/energy drift too large   5.02048528078202     
-   14.9631037281731       split increased to            2  itime      268332 
+Momenta zeroed out, time            53599.80
+ acceleration/energy drift too large   4.92865143941951     
+   11.7009811082576       split increased to            2  itime      268002 
   itsplit           1
 Momenta zeroed out, time            53799.80
- acceleration/energy drift too large   5.08160674041297     
-   30.2842532389564       split increased to            2  itime      269401 
+Velocities reset to random values, time            53999.80
+Momenta zeroed out, time            53999.80
+ acceleration/energy drift too large   4.09597125388349     
+   18.6703421255605       split increased to            2  itime      270265 
   itsplit           1
- acceleration/energy drift too large   4.58792453840004     
-   16.9404424889317       split increased to            2  itime      269484 
+ acceleration/energy drift too large   5.52267967347190     
+   17.3106951397423       split increased to            2  itime      270293 
   itsplit           1
- acceleration/energy drift too large   4.31988041539613     
-   16.5431150328397       split increased to            2  itime      269754 
+ acceleration/energy drift too large   7.21176306714294     
+   25.9743376230412       split increased to            2  itime      270541 
   itsplit           1
-Velocities reset to random values, time            53999.80
-Momenta zeroed out, time            53999.80
- acceleration/energy drift too large   4.37892414160880     
-   23.9969335257089       split increased to            2  itime      270713 
+ acceleration/energy drift too large   9.12439424682458     
+   43.7653569254537       split increased to            2  itime      270583 
+  itsplit           1
+ acceleration/energy drift too large   3.53357304347796     
+   17.5324566008259       split increased to            2  itime      270626 
+  itsplit           1
+ acceleration/energy drift too large   4.25011504491756     
+   13.1132355553580       split increased to            2  itime      270637 
   itsplit           1
 Momenta zeroed out, time            54199.80
+ acceleration/energy drift too large   4.47048971113034     
+   16.5730341033419       split increased to            2  itime      271058 
+  itsplit           1
+ acceleration/energy drift too large   3.88895768573340     
+   15.2923345686700       split increased to            2  itime      271271 
+  itsplit           1
+ acceleration/energy drift too large   6.33901083550288     
+   26.9534964301951       split increased to            2  itime      271795 
+  itsplit           1
 Momenta zeroed out, time            54399.80
- acceleration/energy drift too large   3.95328299669409     
-   20.7332550631291       split increased to            2  itime      272286 
+ acceleration/energy drift too large   1.97481282150487     
+   10.6243297777209       split increased to            2  itime      272119 
   itsplit           1
- acceleration/energy drift too large   3.40682210586139     
-   13.9114761597655       split increased to            2  itime      272713 
+ acceleration/energy drift too large   2.22462022163409     
+   12.4571762961547       split increased to            2  itime      272120 
   itsplit           1
 Momenta zeroed out, time            54599.80
- acceleration/energy drift too large   2.18976775498503     
-   11.0035991468018       split increased to            2  itime      273310 
+ acceleration/energy drift too large   6.43980275669311     
+   11.2780615191185       split increased to            2  itime      273152 
   itsplit           1
- acceleration/energy drift too large   4.93914575563621     
-   21.2509646637768       split increased to            2  itime      273888 
+ acceleration/energy drift too large   3.46940055597087     
+   16.3421354460276       split increased to            2  itime      273364 
   itsplit           1
 Momenta zeroed out, time            54799.80
- acceleration/energy drift too large   3.92202061040431     
-   13.6634040351700       split increased to            2  itime      274002 
-  itsplit           1
- acceleration/energy drift too large   6.05056222097383     
-   13.5632352562102       split increased to            2  itime      274302 
+Momenta zeroed out, time            54999.80
+ acceleration/energy drift too large   10.4183019158633     
+   27.4237145000994       split increased to            2  itime      275116 
   itsplit           1
- acceleration/energy drift too large   3.27599248209387     
-   10.4232986388296       split increased to            2  itime      274456 
+ acceleration/energy drift too large   4.64229243620004     
+   10.9962348840083       split increased to            2  itime      275593 
   itsplit           1
-Momenta zeroed out, time            54999.80
 Momenta zeroed out, time            55199.80
-Momenta zeroed out, time            55399.80
- acceleration/energy drift too large   3.07171140890404     
-   13.0003998581228       split increased to            2  itime      277085 
-  itsplit           1
- acceleration/energy drift too large   3.70794003655624     
-   20.1221106777395       split increased to            2  itime      277131 
+ acceleration/energy drift too large   4.43560158344347     
+   11.1254346996732       split increased to            2  itime      276905 
   itsplit           1
- acceleration/energy drift too large   5.27201480531077     
-   11.4917769670426       split increased to            2  itime      277907 
+Momenta zeroed out, time            55399.80
+ acceleration/energy drift too large   14.8331997062347     
+   80.1921958702029       split increased to            2  itime      277105 
   itsplit           1
 Momenta zeroed out, time            55599.80
- acceleration/energy drift too large   10.4286537550106     
-   47.2331932705407       split increased to            2  itime      278156 
-  itsplit           1
- acceleration/energy drift too large   4.03574915682293     
-   19.0403165814554       split increased to            2  itime      278624 
+ acceleration/energy drift too large   4.31861352133298     
+   21.0714942331172       split increased to            2  itime      278189 
   itsplit           1
 Momenta zeroed out, time            55799.80
- acceleration/energy drift too large   5.58910199107900     
-   12.1795783530396       split increased to            2  itime      279447 
+ acceleration/energy drift too large   3.90422631809303     
+   10.4930428869071       split increased to            2  itime      279008 
+  itsplit           1
+ acceleration/energy drift too large   4.93593920778153     
+   11.3073557167148       split increased to            2  itime      279092 
   itsplit           1
 Velocities reset to random values, time            55999.80
 Momenta zeroed out, time            55999.80
+ acceleration/energy drift too large   5.15464690622270     
+   13.1383741972110       split increased to            2  itime      280799 
+  itsplit           1
 Momenta zeroed out, time            56199.80
+ acceleration/energy drift too large   4.78145884025309     
+   10.4443626489836       split increased to            2  itime      281117 
+  itsplit           1
+ acceleration/energy drift too large   6.80255801665847     
+   19.1896435943535       split increased to            2  itime      281278 
+  itsplit           1
+ acceleration/energy drift too large   6.17884412768523     
+   19.5887644588012       split increased to            2  itime      281804 
+  itsplit           1
 Momenta zeroed out, time            56399.80
- acceleration/energy drift too large   3.99234887831274     
-   22.9556954525094       split increased to            2  itime      282874 
+ acceleration/energy drift too large   8.17541797502508     
+   27.2289106736459       split increased to            2  itime      282351 
+  itsplit           1
+ acceleration/energy drift too large   2.58729833106216     
+   11.7020521654350       split increased to            2  itime      282361 
   itsplit           1
 Momenta zeroed out, time            56599.80
- acceleration/energy drift too large   2.53329355526272     
-   10.8919812583115       split increased to            2  itime      283945 
+ acceleration/energy drift too large   13.2141698003250     
+   101.739188051448       split increased to            2  itime      283694 
+  itsplit           1
+ acceleration/energy drift too large   2.31377147608882     
+   11.2085787529744       split increased to            4  itime      283694 
   itsplit           1
 Momenta zeroed out, time            56799.80
 Momenta zeroed out, time            56999.80
+ acceleration/energy drift too large   3.31596293819792     
+   18.4744363621561       split increased to            2  itime      285523 
+  itsplit           1
+ acceleration/energy drift too large   9.45802447586376     
+   16.0287226369441       split increased to            2  itime      285559 
+  itsplit           1
 Momenta zeroed out, time            57199.80
-Momenta zeroed out, time            57399.80
- acceleration/energy drift too large   6.04790320703299     
-   17.7450337652895       split increased to            2  itime      287168 
+ acceleration/energy drift too large   5.01036407454283     
+   13.2118127356736       split increased to            2  itime      286520 
   itsplit           1
- acceleration/energy drift too large   8.21583504402944     
-   11.2158870162621       split increased to            2  itime      287799 
+ acceleration/energy drift too large   4.52165524115106     
+   11.4877338947964       split increased to            2  itime      286576 
   itsplit           1
- acceleration/energy drift too large   6.95475570672912     
-   16.5832293140473       split increased to            2  itime      287980 
+Momenta zeroed out, time            57399.80
+ acceleration/energy drift too large   2.51062632925924     
+   13.8549140528805       split increased to            2  itime      287430 
   itsplit           1
 Momenta zeroed out, time            57599.80
- acceleration/energy drift too large   5.45264902022087     
-   15.6767432182880       split increased to            2  itime      288380 
+ acceleration/energy drift too large   5.46199825538435     
+   14.0490552692863       split increased to            2  itime      288125 
+  itsplit           1
+ acceleration/energy drift too large   5.39451174929281     
+   21.0154717993148       split increased to            2  itime      288722 
   itsplit           1
 Momenta zeroed out, time            57799.80
 Velocities reset to random values, time            57999.80
 Momenta zeroed out, time            57999.80
- acceleration/energy drift too large   4.06311615694393     
-   12.0753183334975       split increased to            2  itime      290782 
-  itsplit           1
- acceleration/energy drift too large   7.04010236189498     
-   26.7241520021136       split increased to            2  itime      290862 
-  itsplit           1
- acceleration/energy drift too large   7.81980562485181     
-   27.8802491046994       split increased to            2  itime      290918 
-  itsplit           1
 Momenta zeroed out, time            58199.80
- acceleration/energy drift too large   4.42766082545014     
-   10.9815816105257       split increased to            2  itime      291401 
-  itsplit           1
- acceleration/energy drift too large   5.70363941262605     
-   15.9876757314365       split increased to            2  itime      291875 
-  itsplit           1
- acceleration/energy drift too large  0.108974267497554     
-   17.4586331528261       split increased to            2  itime      291876 
-  itsplit           1
 Momenta zeroed out, time            58399.80
- acceleration/energy drift too large   7.33328777809986     
-   38.9137792434370       split increased to            2  itime      292050 
+ acceleration/energy drift too large   7.01914570873582     
+   38.0917496868313       split increased to            2  itime      292815 
   itsplit           1
- acceleration/energy drift too large   9.60708452401662     
-   41.9407108469811       split increased to            2  itime      292296 
-  itsplit           1
- acceleration/energy drift too large   6.44504217993973     
-   15.6856842986898       split increased to            2  itime      292297 
+ acceleration/energy drift too large   1.55890345427365     
+   13.9654135852381       split increased to            2  itime      292816 
   itsplit           1
 Momenta zeroed out, time            58599.80
- acceleration/energy drift too large   6.97048900127789     
-   31.1546388594484       split increased to            2  itime      293265 
-  itsplit           1
 Momenta zeroed out, time            58799.80
- acceleration/energy drift too large   5.78982775227969     
-   15.1311218037202       split increased to            2  itime      294480 
+ acceleration/energy drift too large   7.20633944203471     
+   20.6665879233041       split increased to            2  itime      294219 
   itsplit           1
- acceleration/energy drift too large   5.15528013446431     
-   15.4005126189143       split increased to            2  itime      294814 
+ acceleration/energy drift too large   10.2147950466105     
+   45.9632853937717       split increased to            2  itime      294507 
   itsplit           1
 Momenta zeroed out, time            58999.80
- acceleration/energy drift too large   6.22689114788389     
-   27.8144916869624       split increased to            2  itime      295178 
-  itsplit           1
- acceleration/energy drift too large   2.35911769644584     
-   11.7773757375750       split increased to            2  itime      295710 
-  itsplit           1
- acceleration/energy drift too large   2.39475444039073     
-   13.2397432046743       split increased to            2  itime      295766 
-  itsplit           1
- acceleration/energy drift too large   3.04850229496520     
-   11.8029641435414       split increased to            2  itime      295772 
+ acceleration/energy drift too large   8.50352320872973     
+   31.8652434644946       split increased to            2  itime      295968 
   itsplit           1
 Momenta zeroed out, time            59199.80
- acceleration/energy drift too large   5.74818587551067     
-   11.0142375451572       split increased to            2  itime      296601 
-  itsplit           1
- acceleration/energy drift too large   4.25771181871670     
-   26.0483652588236       split increased to            2  itime      296795 
-  itsplit           1
- acceleration/energy drift too large   4.23962847657839     
-   17.9193439421728       split increased to            2  itime      296889 
+ acceleration/energy drift too large   4.33419086937886     
+   11.7347222373248       split increased to            2  itime      296982 
   itsplit           1
 Momenta zeroed out, time            59399.80
- acceleration/energy drift too large   3.73921625967210     
-   20.3160747530120       split increased to            2  itime      297428 
-  itsplit           1
- acceleration/energy drift too large   6.86759259243979     
-   35.8668334319587       split increased to            2  itime      297686 
+ acceleration/energy drift too large   4.90614557917138     
+   12.8479990827438       split increased to            2  itime      297703 
   itsplit           1
 Momenta zeroed out, time            59599.80
- acceleration/energy drift too large   4.74944189240392     
-   15.4388547182091       split increased to            2  itime      298081 
+ acceleration/energy drift too large   7.41229506009314     
+   18.0714013433805       split increased to            2  itime      298069 
   itsplit           1
 Momenta zeroed out, time            59799.80
- acceleration/energy drift too large   4.67873468031550     
-   21.9521488800805       split increased to            2  itime      299206 
+ acceleration/energy drift too large   10.3010413581474     
+   44.2836812956280       split increased to            2  itime      299791 
   itsplit           1
- acceleration/energy drift too large   3.19866361168418     
-   12.0497033779682       split increased to            2  itime      299207 
+ acceleration/energy drift too large   3.26021591045241     
+   11.3334228027956       split increased to            2  itime      299792 
   itsplit           1
 Velocities reset to random values, time            59999.80
 Momenta zeroed out, time            59999.80
-Momenta zeroed out, time            60199.80
- acceleration/energy drift too large   6.40169458970072     
-   13.9088901230059       split increased to            2  itime      301576 
+ acceleration/energy drift too large   2.44029588141525     
+   17.7059353663512       split increased to            2  itime      300149 
   itsplit           1
-Momenta zeroed out, time            60399.80
- acceleration/energy drift too large   2.69412993269040     
-   16.7316015739551       split increased to            2  itime      302084 
+ acceleration/energy drift too large   3.52202167435316     
+   12.9929868353564       split increased to            2  itime      300381 
   itsplit           1
- acceleration/energy drift too large   4.10473161898398     
-   29.7842363175727       split increased to            2  itime      302247 
+ acceleration/energy drift too large   4.92798691117396     
+   11.4976976022261       split increased to            2  itime      300675 
   itsplit           1
-Momenta zeroed out, time            60599.80
-Momenta zeroed out, time            60799.80
- acceleration/energy drift too large   5.64096148216207     
-   16.0115713600624       split increased to            2  itime      304070 
+Momenta zeroed out, time            60199.80
+Momenta zeroed out, time            60399.80
+ acceleration/energy drift too large   2.73649835286923     
+   17.6172773571067       split increased to            2  itime      302307 
   itsplit           1
- acceleration/energy drift too large   4.95331765158553     
-   29.3676876290293       split increased to            2  itime      304078 
+ acceleration/energy drift too large   5.68272634617650     
+   12.1475216293277       split increased to            2  itime      302988 
   itsplit           1
- acceleration/energy drift too large   4.58707041667044     
-   24.0614246212632       split increased to            2  itime      304518 
+Momenta zeroed out, time            60599.80
+ acceleration/energy drift too large   4.21154673753962     
+   15.3018249649336       split increased to            2  itime      303785 
   itsplit           1
- acceleration/energy drift too large   7.54968720864251     
-   32.4847672438766       split increased to            2  itime      304719 
+ acceleration/energy drift too large   7.04819078008268     
+   14.8922225617274       split increased to            2  itime      303786 
   itsplit           1
- acceleration/energy drift too large   3.00126291815239     
-   12.0419874048122       split increased to            2  itime      304720 
+Momenta zeroed out, time            60799.80
+ acceleration/energy drift too large   2.80132567907301     
+   11.1480835767290       split increased to            2  itime      304900 
   itsplit           1
 Momenta zeroed out, time            60999.80
- acceleration/energy drift too large   3.90697046399001     
-   10.5120702202583       split increased to            2  itime      305292 
+ acceleration/energy drift too large   7.01490255034965     
+   11.1985355780828       split increased to            2  itime      305036 
   itsplit           1
- acceleration/energy drift too large   8.27422013214864     
-   34.3571076458513       split increased to            2  itime      305380 
+ acceleration/energy drift too large   5.42020392384349     
+   26.6399518898032       split increased to            2  itime      305747 
   itsplit           1
- acceleration/energy drift too large   4.84049075358344     
-   21.2960825380462       split increased to            2  itime      305429 
-  itsplit           1
- acceleration/energy drift too large   15.7632088328957     
-   91.9436425868864       split increased to            2  itime      305462 
-  itsplit           1
- acceleration/energy drift too large   2.78246142091492     
-   16.1573314312280       split increased to            4  itime      305462 
-  itsplit           1
- acceleration/energy drift too large   7.23514745092071     
-   17.6657861330516       split increased to            2  itime      305730 
-  itsplit           1
- acceleration/energy drift too large   3.77408466282135     
-   15.9980446869763       split increased to            2  itime      305740 
+ acceleration/energy drift too large   3.77908977471714     
+   14.0107027660922       split increased to            2  itime      305880 
   itsplit           1
 Momenta zeroed out, time            61199.80
- acceleration/energy drift too large   5.78451577704177     
-   32.3318593698824       split increased to            2  itime      306481 
+ acceleration/energy drift too large   6.72044303893321     
+   15.2496954011116       split increased to            2  itime      306841 
+  itsplit           1
+ acceleration/energy drift too large   4.49338369740807     
+   11.0795368043781       split increased to            2  itime      306844 
   itsplit           1
 Momenta zeroed out, time            61399.80
- acceleration/energy drift too large   6.01398977538545     
-   22.9790489290731       split increased to            2  itime      307268 
+ acceleration/energy drift too large   3.64301356416879     
+   10.7970912395573       split increased to            2  itime      307320 
   itsplit           1
- acceleration/energy drift too large   3.20137808505711     
-   10.2107824251817       split increased to            2  itime      307709 
+ acceleration/energy drift too large   6.74684918401929     
+   14.6447661243262       split increased to            2  itime      307486 
   itsplit           1
 Momenta zeroed out, time            61599.80
- acceleration/energy drift too large   5.23279759660275     
-   23.1318747520608       split increased to            2  itime      308273 
-  itsplit           1
- acceleration/energy drift too large   3.58652026131906     
-   13.4650665646909       split increased to            2  itime      308803 
-  itsplit           1
 Momenta zeroed out, time            61799.80
- acceleration/energy drift too large   4.88369195040549     
-   11.4726703130476       split increased to            2  itime      309090 
-  itsplit           1
- acceleration/energy drift too large   7.84515905515908     
-   34.7904205939401       split increased to            2  itime      309788 
-  itsplit           1
 Velocities reset to random values, time            61999.80
 Momenta zeroed out, time            61999.80
- acceleration/energy drift too large   10.2028218353670     
-   37.5986369272705       split increased to            2  itime      310199 
-  itsplit           1
- acceleration/energy drift too large   4.25915008809759     
-   11.6729199978077       split increased to            2  itime      310371 
-  itsplit           1
- acceleration/energy drift too large   5.02916884388824     
-   13.9107017565780       split increased to            2  itime      310460 
-  itsplit           1
- acceleration/energy drift too large   4.77966978031928     
-   12.6578710010893       split increased to            2  itime      310892 
-  itsplit           1
- acceleration/energy drift too large   2.49710299872614     
-   15.2103966988897       split increased to            2  itime      310899 
-  itsplit           1
- acceleration/energy drift too large   8.66566761974834     
-   28.1868229578597       split increased to            2  itime      310901 
-  itsplit           1
 Momenta zeroed out, time            62199.80
- acceleration/energy drift too large   2.41811796270717     
-   14.4026282607118       split increased to            2  itime      311048 
-  itsplit           1
- acceleration/energy drift too large   5.38019066338884     
-   14.2120580530385       split increased to            2  itime      311400 
-  itsplit           1
 Momenta zeroed out, time            62399.80
- acceleration/energy drift too large   3.76879907544113     
-   11.1045766592963       split increased to            2  itime      312101 
-  itsplit           1
 Momenta zeroed out, time            62599.80
- acceleration/energy drift too large   7.08565272000673     
-   22.7933270367052       split increased to            2  itime      313161 
-  itsplit           1
- acceleration/energy drift too large   6.24159498636537     
-   15.1260326275984       split increased to            2  itime      313197 
-  itsplit           1
- acceleration/energy drift too large   2.46190425590287     
-   10.2578221212225       split increased to            2  itime      313809 
+ acceleration/energy drift too large   5.34956823906272     
+   14.9333456969360       split increased to            2  itime      313658 
   itsplit           1
- acceleration/energy drift too large   4.59629088313489     
-   17.2539192123299       split increased to            2  itime      313900 
+ acceleration/energy drift too large   4.98737899069539     
+   18.2184970001919       split increased to            2  itime      313866 
   itsplit           1
 Momenta zeroed out, time            62799.80
- acceleration/energy drift too large   10.7259828631435     
-   40.5428011406076       split increased to            2  itime      314394 
+ acceleration/energy drift too large   2.28637953245127     
+   10.7654069019059       split increased to            2  itime      314988 
   itsplit           1
 Momenta zeroed out, time            62999.80
- acceleration/energy drift too large   5.11379955785549     
-   10.2562291213941       split increased to            2  itime      315041 
+ acceleration/energy drift too large   2.14039615867825     
+   15.7373362253504       split increased to            2  itime      315194 
   itsplit           1
-Momenta zeroed out, time            63199.80
- acceleration/energy drift too large   2.44841601335566     
-   10.6305457856684       split increased to            2  itime      316552 
+ acceleration/energy drift too large   2.41252716137835     
+   15.4228681185385       split increased to            2  itime      315420 
   itsplit           1
- acceleration/energy drift too large   4.52472225061538     
-   15.6670497567251       split increased to            2  itime      316781 
+ acceleration/energy drift too large   5.63453159153898     
+   27.0936649379446       split increased to            2  itime      315572 
   itsplit           1
-Momenta zeroed out, time            63399.80
- acceleration/energy drift too large   4.56054188943128     
-   13.0416888065698       split increased to            2  itime      317166 
+Momenta zeroed out, time            63199.80
+ acceleration/energy drift too large   9.89754021994674     
+   41.4626508727582       split increased to            2  itime      316537 
   itsplit           1
- acceleration/energy drift too large   3.16021227001735     
-   13.3035436028246       split increased to            2  itime      317667 
+Momenta zeroed out, time            63399.80
+ acceleration/energy drift too large   6.79084359489399     
+   25.8359261319118       split increased to            2  itime      317927 
   itsplit           1
 Momenta zeroed out, time            63599.80
- acceleration/energy drift too large   5.79049182715591     
-   20.4768114241091       split increased to            2  itime      318435 
+ acceleration/energy drift too large   10.5646064979942     
+   55.7760203046433       split increased to            2  itime      318036 
+  itsplit           1
+ acceleration/energy drift too large   2.02822365416315     
+   11.3648739663079       split increased to            2  itime      318037 
+  itsplit           1
+ acceleration/energy drift too large   4.38725694956468     
+   16.1337376948449       split increased to            2  itime      318373 
+  itsplit           1
+ acceleration/energy drift too large   5.25175049646049     
+   21.2752892616745       split increased to            2  itime      318699 
+  itsplit           1
+ acceleration/energy drift too large   11.7504776138391     
+   55.1187208467486       split increased to            2  itime      318781 
   itsplit           1
 Momenta zeroed out, time            63799.80
- acceleration/energy drift too large   5.97080445102018     
-   20.0765888953773       split increased to            2  itime      319752 
+ acceleration/energy drift too large   7.23167529292185     
+   12.4590030237975       split increased to            2  itime      319364 
   itsplit           1
-Velocities reset to random values, time            63999.80
-Momenta zeroed out, time            63999.80
- acceleration/energy drift too large   11.2335694149311     
-   65.3093533541413       split increased to            2  itime      320080 
+ acceleration/energy drift too large   4.26823763623065     
+   22.8530876423895       split increased to            2  itime      319928 
   itsplit           1
- acceleration/energy drift too large   6.02484106257122     
-   18.5669149168957       split increased to            2  itime      320912 
+ acceleration/energy drift too large   6.61470934591019     
+   33.3392865321260       split increased to            2  itime      319939 
   itsplit           1
-Momenta zeroed out, time            64199.80
- acceleration/energy drift too large   5.43562152805852     
-   33.6195528693587       split increased to            2  itime      321577 
+ acceleration/energy drift too large   4.35671823591895     
+   18.5868261246127       split increased to            2  itime      319951 
   itsplit           1
- acceleration/energy drift too large   2.17223307184074     
-   12.6996351370023       split increased to            2  itime      321779 
+Velocities reset to random values, time            63999.80
+Momenta zeroed out, time            63999.80
+Momenta zeroed out, time            64199.80
+ acceleration/energy drift too large   10.0533720654522     
+   45.3931649548135       split increased to            2  itime      321396 
   itsplit           1
 Momenta zeroed out, time            64399.80
 Momenta zeroed out, time            64599.80
- acceleration/energy drift too large   13.2458494602755     
-   75.8925758684656       split increased to            2  itime      323216 
+ acceleration/energy drift too large   6.24285194724184     
+   44.7909848124448       split increased to            2  itime      323260 
+  itsplit           1
+ acceleration/energy drift too large   3.27524495930848     
+   13.7892568853074       split increased to            2  itime      323282 
+  itsplit           1
+ acceleration/energy drift too large   3.48949575835405     
+   11.2306277424839       split increased to            2  itime      323685 
   itsplit           1
 Momenta zeroed out, time            64799.80
 Momenta zeroed out, time            64999.80
- acceleration/energy drift too large   6.01208698189772     
-   24.0182718362566       split increased to            2  itime      325700 
+ acceleration/energy drift too large   3.25501808060559     
+   17.2709783967187       split increased to            2  itime      325895 
   itsplit           1
 Momenta zeroed out, time            65199.80
- acceleration/energy drift too large   5.98849648982468     
-   31.0569826882065       split increased to            2  itime      326447 
-  itsplit           1
- acceleration/energy drift too large   5.16147242899157     
-   21.3663604280777       split increased to            2  itime      326816 
+ acceleration/energy drift too large   4.22536040521367     
+   17.1071553521140       split increased to            2  itime      326530 
   itsplit           1
 Momenta zeroed out, time            65399.80
- acceleration/energy drift too large   7.10299686233421     
-   19.6577057925377       split increased to            2  itime      327787 
-  itsplit           1
 Momenta zeroed out, time            65599.80
- acceleration/energy drift too large   6.15927275231458     
-   19.0141048906183       split increased to            2  itime      328003 
-  itsplit           1
- acceleration/energy drift too large   4.38703817340080     
-   15.2583657166052       split increased to            2  itime      328147 
-  itsplit           1
- acceleration/energy drift too large   6.27167601188276     
-   15.2807647205164       split increased to            2  itime      328405 
+ acceleration/energy drift too large   4.95192718214230     
+   12.9146738643366       split increased to            2  itime      328529 
   itsplit           1
- acceleration/energy drift too large   1.64300375191296     
-   11.5193567423486       split increased to            2  itime      328406 
+ acceleration/energy drift too large   6.86421876915823     
+   19.5970963194135       split increased to            2  itime      328879 
   itsplit           1
- acceleration/energy drift too large   4.19735115164510     
-   16.4802407517064       split increased to            2  itime      328706 
+ acceleration/energy drift too large   4.03982920303279     
+   17.9725435869349       split increased to            2  itime      328887 
   itsplit           1
 Momenta zeroed out, time            65799.80
+ acceleration/energy drift too large   3.12114383158031     
+   14.0752269953187       split increased to            2  itime      329164 
+  itsplit           1
 Velocities reset to random values, time            65999.80
 Momenta zeroed out, time            65999.80
- acceleration/energy drift too large   7.81963911291966     
-   22.9996536631543       split increased to            2  itime      330076 
-  itsplit           1
- acceleration/energy drift too large   5.94483684597659     
-   14.4622407581434       split increased to            2  itime      330168 
-  itsplit           1
- acceleration/energy drift too large   3.09712369328758     
-   11.1363358384035       split increased to            2  itime      330195 
-  itsplit           1
- acceleration/energy drift too large   7.01803045343415     
-   32.3859592608488       split increased to            2  itime      330530 
-  itsplit           1
 Momenta zeroed out, time            66199.80
- acceleration/energy drift too large   4.84917397393296     
-   14.9477196865083       split increased to            2  itime      331031 
-  itsplit           1
 Momenta zeroed out, time            66399.80
- acceleration/energy drift too large   2.42410447009236     
-   15.9809361461621       split increased to            2  itime      332550 
-  itsplit           1
- acceleration/energy drift too large   10.7843915967493     
-   17.6988950185344       split increased to            2  itime      332551 
-  itsplit           1
- acceleration/energy drift too large   11.4026496691212     
-   49.8781844457578       split increased to            2  itime      332576 
+ acceleration/energy drift too large   11.7788228977651     
+   56.3495760483278       split increased to            2  itime      332009 
   itsplit           1
- acceleration/energy drift too large   9.87331384598726     
-   29.4918762128428       split increased to            2  itime      332701 
+ acceleration/energy drift too large   5.60864048387231     
+   10.6432549269164       split increased to            2  itime      332177 
   itsplit           1
- acceleration/energy drift too large   13.5743288503026     
-   105.477038011939       split increased to            2  itime      332704 
+ acceleration/energy drift too large   7.60122581976761     
+   22.8929082484246       split increased to            2  itime      332792 
   itsplit           1
- acceleration/energy drift too large   12.0057654991951     
-   47.9277301208693       split increased to            2  itime      332822 
+ acceleration/energy drift too large   4.50206539878253     
+   13.4657482156404       split increased to            2  itime      332911 
   itsplit           1
 Momenta zeroed out, time            66599.80
- acceleration/energy drift too large   9.12375747702328     
-   44.1469633762037       split increased to            2  itime      333453 
+ acceleration/energy drift too large   5.09520288616363     
+   14.6006715812662       split increased to            2  itime      333035 
   itsplit           1
- acceleration/energy drift too large   3.36768598434017     
-   12.6341057333601       split increased to            2  itime      333510 
+ acceleration/energy drift too large   5.41383346725648     
+   12.6439554547591       split increased to            2  itime      333143 
   itsplit           1
- acceleration/energy drift too large   4.71589938401626     
-   13.1367133322342       split increased to            2  itime      333612 
+ acceleration/energy drift too large   3.37917339735431     
+   14.1029638364848       split increased to            2  itime      333728 
   itsplit           1
- acceleration/energy drift too large   3.67486136970752     
-   13.5097390840498       split increased to            2  itime      333696 
+ acceleration/energy drift too large   5.66803327884978     
+   14.2435970484975       split increased to            2  itime      333738 
   itsplit           1
 Momenta zeroed out, time            66799.80
- acceleration/energy drift too large   5.46954114713983     
-   21.1739318971127       split increased to            2  itime      334826 
+ acceleration/energy drift too large   5.84930471126600     
+   27.0007066374391       split increased to            2  itime      334998 
   itsplit           1
-Momenta zeroed out, time            66999.80
- acceleration/energy drift too large   13.0592613961731     
-   57.1799431345609       split increased to            2  itime      335163 
+ acceleration/energy drift too large   3.37311318308494     
+   29.7668527320745       split increased to            2  itime      334999 
   itsplit           1
-Momenta zeroed out, time            67199.80
- acceleration/energy drift too large   8.17742693850668     
-   18.1313339153655       split increased to            2  itime      336092 
+Momenta zeroed out, time            66999.80
+ acceleration/energy drift too large   4.24407954697488     
+   10.5651704588431       split increased to            2  itime      335057 
   itsplit           1
- acceleration/energy drift too large   7.42970982810218     
-   30.7687576010854       split increased to            2  itime      336260 
+ acceleration/energy drift too large   6.67483185468270     
+   10.8136761854205       split increased to            2  itime      335145 
   itsplit           1
- acceleration/energy drift too large   5.07623947090540     
-   11.0896711347602       split increased to            2  itime      336367 
+ acceleration/energy drift too large   2.71480387111144     
+   10.5501501683219       split increased to            2  itime      335294 
   itsplit           1
- acceleration/energy drift too large   12.0379874440632     
-   57.9333153554645       split increased to            2  itime      336828 
+Momenta zeroed out, time            67199.80
+ acceleration/energy drift too large   8.23312626798086     
+   21.2717042907045       split increased to            2  itime      336358 
   itsplit           1
- acceleration/energy drift too large   2.63356012666962     
-   11.4438198873833       split increased to            4  itime      336828 
+ acceleration/energy drift too large   13.6195711083804     
+   105.416059609028       split increased to            2  itime      336949 
   itsplit           1
 Momenta zeroed out, time            67399.80
-Momenta zeroed out, time            67599.80
- acceleration/energy drift too large   4.75754594689664     
-   22.7093830969287       split increased to            2  itime      338796 
-  itsplit           1
-Momenta zeroed out, time            67799.80
- acceleration/energy drift too large   2.46071736002045     
-   13.4100430565714       split increased to            2  itime      339588 
-  itsplit           1
-Velocities reset to random values, time            67999.80
-Momenta zeroed out, time            67999.80
-Momenta zeroed out, time            68199.80
- acceleration/energy drift too large   6.03591261922643     
-   43.1513404757101       split increased to            2  itime      341253 
+ acceleration/energy drift too large   8.92513866784982     
+   42.8195462117094       split increased to            2  itime      337692 
   itsplit           1
- acceleration/energy drift too large   10.9905312563239     
-   50.9617999346069       split increased to            2  itime      341284 
+Momenta zeroed out, time            67599.80
+ acceleration/energy drift too large   5.24701876482293     
+   16.3936583155864       split increased to            2  itime      338132 
   itsplit           1
- acceleration/energy drift too large   3.40584175405690     
-   10.0452216912821       split increased to            2  itime      341447 
+ acceleration/energy drift too large   4.13642885619268     
+   12.5680120488112       split increased to            2  itime      338237 
   itsplit           1
- acceleration/energy drift too large   1.97626044485342     
-   20.8486322286507       split increased to            4  itime      341447 
+ acceleration/energy drift too large   3.81310631808428     
+   11.3928639672625       split increased to            2  itime      338501 
   itsplit           1
- acceleration/energy drift too large   6.97402017720423     
-   20.7585010750780       split increased to            2  itime      341802 
+ acceleration/energy drift too large   4.99573140786368     
+   14.8247495929534       split increased to            2  itime      338763 
   itsplit           1
-Momenta zeroed out, time            68399.80
- acceleration/energy drift too large   4.38173160754573     
-   12.8479264543747       split increased to            2  itime      342008 
+Momenta zeroed out, time            67799.80
+ acceleration/energy drift too large   3.01469151440602     
+   14.8308580055715       split increased to            2  itime      339086 
   itsplit           1
- acceleration/energy drift too large   6.84282549819338     
-   12.8668430152464       split increased to            2  itime      342753 
+ acceleration/energy drift too large   5.01492255327308     
+   12.2988119728204       split increased to            2  itime      339970 
   itsplit           1
- acceleration/energy drift too large   5.59709625203719     
-   12.7784328797357       split increased to            2  itime      342842 
+Velocities reset to random values, time            67999.80
+Momenta zeroed out, time            67999.80
+ acceleration/energy drift too large   8.94425064613319     
+   31.7631287639646       split increased to            2  itime      340858 
   itsplit           1
- acceleration/energy drift too large   3.38293261870079     
-   10.7645138806708       split increased to            2  itime      342843 
+Momenta zeroed out, time            68199.80
+ acceleration/energy drift too large   6.52888319247466     
+   21.4339538405812       split increased to            2  itime      341278 
   itsplit           1
- acceleration/energy drift too large   3.42319783142337     
-   10.5131454956027       split increased to            2  itime      342965 
+Momenta zeroed out, time            68399.80
+ acceleration/energy drift too large   4.18226588519207     
+   12.8896220267786       split increased to            2  itime      342858 
   itsplit           1
 Momenta zeroed out, time            68599.80
- acceleration/energy drift too large   2.75154125977689     
-   11.1699923847349       split increased to            2  itime      343162 
-  itsplit           1
- acceleration/energy drift too large   17.7344299300340     
-   126.455222353566       split increased to            2  itime      343440 
-  itsplit           1
- acceleration/energy drift too large   7.57978034782102     
-   30.7192824466449       split increased to            2  itime      343771 
+ acceleration/energy drift too large   10.8981055066069     
+   39.0052767636214       split increased to            2  itime      343252 
   itsplit           1
 Momenta zeroed out, time            68799.80
- acceleration/energy drift too large   5.47990431010602     
-   11.9616582989114       split increased to            2  itime      344661 
-  itsplit           1
- acceleration/energy drift too large   5.75830760700009     
-   21.4296867828234       split increased to            2  itime      344892 
+ acceleration/energy drift too large   3.67595956270165     
+   10.5430989428198       split increased to            2  itime      344117 
   itsplit           1
 Momenta zeroed out, time            68999.80
- acceleration/energy drift too large   6.09821768792165     
-   25.1039845678675       split increased to            2  itime      345142 
-  itsplit           1
- acceleration/energy drift too large   8.71776925653822     
-   40.2726913988732       split increased to            2  itime      345175 
-  itsplit           1
- acceleration/energy drift too large   2.60938569090305     
-   13.5408553456162       split increased to            2  itime      345176 
+Momenta zeroed out, time            69199.80
+ acceleration/energy drift too large   4.56643759838538     
+   12.3569154686977       split increased to            2  itime      346532 
   itsplit           1
- acceleration/energy drift too large   6.36588225446321     
-   28.4145186484539       split increased to            2  itime      345578 
+ acceleration/energy drift too large   4.70294579255153     
+   18.5761865183908       split increased to            2  itime      346813 
   itsplit           1
- acceleration/energy drift too large   4.84663292265216     
-   10.7314809442350       split increased to            2  itime      345676 
+Momenta zeroed out, time            69399.80
+ acceleration/energy drift too large   15.0589701029600     
+   134.356068265916       split increased to            2  itime      347475 
   itsplit           1
- acceleration/energy drift too large   4.06467866277668     
-   20.1031680779485       split increased to            2  itime      345748 
+ acceleration/energy drift too large   2.08178165118147     
+   10.2702767393850       split increased to            4  itime      347475 
   itsplit           1
- acceleration/energy drift too large   6.39072996649071     
-   20.6638326094234       split increased to            2  itime      345757 
+Momenta zeroed out, time            69599.80
+ acceleration/energy drift too large   4.82262664440232     
+   11.1781256458340       split increased to            2  itime      348228 
   itsplit           1
-Momenta zeroed out, time            69199.80
- acceleration/energy drift too large   9.22215335196433     
-   38.2071973891897       split increased to            2  itime      346271 
+ acceleration/energy drift too large   6.88029253708644     
+   31.6036752637753       split increased to            2  itime      348360 
   itsplit           1
-Momenta zeroed out, time            69399.80
-Momenta zeroed out, time            69599.80
- acceleration/energy drift too large   11.0850203109626     
-   58.4814296503853       split increased to            2  itime      348031 
+ acceleration/energy drift too large   6.40149616383642     
+   11.5414162025139       split increased to            2  itime      348750 
   itsplit           1
- acceleration/energy drift too large   2.75645539997600     
-   14.7183362294221       split increased to            2  itime      348142 
+ acceleration/energy drift too large   5.53952165711473     
+   22.1228997355228       split increased to            2  itime      348835 
   itsplit           1
 Momenta zeroed out, time            69799.80
 Velocities reset to random values, time            69999.80
 Momenta zeroed out, time            69999.80
- acceleration/energy drift too large   4.02743040669550     
-   21.4664700940196       split increased to            2  itime      350434 
-  itsplit           1
- acceleration/energy drift too large   3.63047941541637     
-   15.0698386989959       split increased to            2  itime      350485 
-  itsplit           1
 Momenta zeroed out, time            70199.80
- acceleration/energy drift too large   5.10774970531680     
-   22.8827849370640       split increased to            2  itime      351452 
+ acceleration/energy drift too large   4.91087172408177     
+   13.1943614353335       split increased to            2  itime      351061 
   itsplit           1
 Momenta zeroed out, time            70399.80
- acceleration/energy drift too large   11.5236215979614     
-   59.1420366676426       split increased to            2  itime      352446 
+ acceleration/energy drift too large   6.19470657732880     
+   13.5252774060705       split increased to            2  itime      352625 
   itsplit           1
- acceleration/energy drift too large   7.70040245636649     
-   28.9114562956760       split increased to            2  itime      352957 
+ acceleration/energy drift too large   2.58908624855722     
+   15.7219320030537       split increased to            2  itime      352804 
   itsplit           1
 Momenta zeroed out, time            70599.80
- acceleration/energy drift too large   8.26568421652055     
-   38.1335164205998       split increased to            2  itime      353116 
-  itsplit           1
- acceleration/energy drift too large   1.92143919864263     
-   10.0348448870333       split increased to            2  itime      353150 
+ acceleration/energy drift too large   7.35835962055116     
+   15.7689739308421       split increased to            2  itime      353695 
   itsplit           1
- acceleration/energy drift too large   5.94917929208331     
-   35.9187409047690       split increased to            2  itime      353214 
+Momenta zeroed out, time            70799.80
+ acceleration/energy drift too large   4.28152693202193     
+   25.4053968391993       split increased to            2  itime      354953 
   itsplit           1
- acceleration/energy drift too large   4.08144276978246     
-   19.9745254912150       split increased to            2  itime      353215 
+Momenta zeroed out, time            70999.80
+ acceleration/energy drift too large   4.91860095458983     
+   15.3481244437722       split increased to            2  itime      355469 
   itsplit           1
-Momenta zeroed out, time            70799.80
- acceleration/energy drift too large   5.09757893890201     
-   12.8811599518600       split increased to            2  itime      354181 
+ acceleration/energy drift too large   6.03751138216981     
+   20.4444409991516       split increased to            2  itime      355931 
   itsplit           1
- acceleration/energy drift too large   6.00921295349356     
-   44.9236018064913       split increased to            2  itime      354787 
+ acceleration/energy drift too large   9.56740468504995     
+   45.5150620110663       split increased to            2  itime      355945 
   itsplit           1
- acceleration/energy drift too large   1.60391475462619     
-   13.0193474352670       split increased to            4  itime      354787 
-  itsplit           2
-Momenta zeroed out, time            70999.80
- acceleration/energy drift too large   3.07445283650127     
-   18.0374401904811       split increased to            2  itime      355309 
+ acceleration/energy drift too large   3.91392600526808     
+   10.3802796010094       split increased to            2  itime      355959 
   itsplit           1
 Momenta zeroed out, time            71199.80
+ acceleration/energy drift too large   2.59748561212239     
+   15.1854255923406       split increased to            2  itime      356236 
+  itsplit           1
+ acceleration/energy drift too large   3.51122924344650     
+   19.9814002820772       split increased to            2  itime      356649 
+  itsplit           1
+ acceleration/energy drift too large   3.16891129833122     
+   17.3866018232622       split increased to            2  itime      356754 
+  itsplit           1
+ acceleration/energy drift too large   6.03325247553284     
+   41.9465292856316       split increased to            2  itime      356760 
+  itsplit           1
 Momenta zeroed out, time            71399.80
-Momenta zeroed out, time            71599.80
- acceleration/energy drift too large   5.21217476605639     
-   27.5509368585648       split increased to            2  itime      358125 
+ acceleration/energy drift too large   4.42920056425798     
+   10.4822150074300       split increased to            2  itime      357481 
   itsplit           1
-Momenta zeroed out, time            71799.80
- acceleration/energy drift too large   5.08028748644734     
-   28.4358305337751       split increased to            2  itime      359003 
+ acceleration/energy drift too large   4.21733461072136     
+   11.5256693903594       split increased to            2  itime      357778 
+  itsplit           1
+ acceleration/energy drift too large   3.99279594367530     
+   12.5206047602733       split increased to            2  itime      357841 
   itsplit           1
- acceleration/energy drift too large   8.88126820055782     
-   36.4513712968006       split increased to            2  itime      359876 
+Momenta zeroed out, time            71599.80
+ acceleration/energy drift too large   6.29727992155533     
+   13.2562252521217       split increased to            2  itime      358137 
+  itsplit           1
+ acceleration/energy drift too large   8.93669383169014     
+   24.8012049460758       split increased to            2  itime      358225 
   itsplit           1
+Momenta zeroed out, time            71799.80
 Velocities reset to random values, time            71999.80
 Momenta zeroed out, time            71999.80
+ acceleration/energy drift too large   6.83654786829443     
+   24.3015856068158       split increased to            2  itime      360166 
+  itsplit           1
+ acceleration/energy drift too large   3.62000543459506     
+   10.1190403044843       split increased to            2  itime      360868 
+  itsplit           1
+ acceleration/energy drift too large   8.73204973460763     
+   34.8142145402288       split increased to            2  itime      360976 
+  itsplit           1
 Momenta zeroed out, time            72199.80
- acceleration/energy drift too large   9.52808859706644     
-   31.2338795021783       split increased to            2  itime      361343 
+ acceleration/energy drift too large   6.39629231867898     
+   15.1456906164210       split increased to            2  itime      361981 
   itsplit           1
 Momenta zeroed out, time            72399.80
-Momenta zeroed out, time            72599.80
- acceleration/energy drift too large   8.45721157444247     
-   35.9838426712934       split increased to            2  itime      363530 
+ acceleration/energy drift too large   7.60073143536203     
+   17.6620804073116       split increased to            2  itime      362562 
   itsplit           1
-Momenta zeroed out, time            72799.80
- acceleration/energy drift too large   7.40738767840492     
-   28.3210718452887       split increased to            2  itime      364190 
+Momenta zeroed out, time            72599.80
+ acceleration/energy drift too large   2.72927023370418     
+   12.3444593757024       split increased to            2  itime      363690 
   itsplit           1
- acceleration/energy drift too large   2.41769798411800     
-   11.9736161401294       split increased to            4  itime      364190 
+ acceleration/energy drift too large   4.50075471108555     
+   16.9074041297389       split increased to            2  itime      363763 
   itsplit           1
+Momenta zeroed out, time            72799.80
 Momenta zeroed out, time            72999.80
 Momenta zeroed out, time            73199.80
- acceleration/energy drift too large   4.06917931191734     
-   11.6101479817480       split increased to            2  itime      366255 
+ acceleration/energy drift too large   4.35005174110856     
+   15.2132146524923       split increased to            2  itime      366499 
   itsplit           1
- acceleration/energy drift too large   7.64383497102725     
-   21.7481174081947       split increased to            2  itime      366680 
+ acceleration/energy drift too large   7.42244468659288     
+   33.7066639686977       split increased to            2  itime      366796 
   itsplit           1
 Momenta zeroed out, time            73399.80
+ acceleration/energy drift too large   4.58159783467897     
+   21.3334752466256       split increased to            2  itime      367457 
+  itsplit           1
+ acceleration/energy drift too large   6.02798877510735     
+   40.7560331182235       split increased to            2  itime      367548 
+  itsplit           1
+ acceleration/energy drift too large   9.26453822111101     
+   34.2954907538517       split increased to            2  itime      367549 
+  itsplit           1
 Momenta zeroed out, time            73599.80
+ acceleration/energy drift too large   4.12821734975986     
+   10.3054473894768       split increased to            2  itime      368999 
+  itsplit           1
 Momenta zeroed out, time            73799.80
- acceleration/energy drift too large   3.86665023242408     
-   22.3857792426310       split increased to            2  itime      369249 
+ acceleration/energy drift too large   7.60493415917562     
+   12.3922792560118       split increased to            2  itime      369005 
+  itsplit           1
+ acceleration/energy drift too large   4.57066342681977     
+   13.4946135421240       split increased to            2  itime      369379 
+  itsplit           1
+ acceleration/energy drift too large   5.42824720321808     
+   12.2237649004677       split increased to            2  itime      369607 
   itsplit           1
- acceleration/energy drift too large   3.19701747341567     
-   11.1327846527361       split increased to            2  itime      369884 
+ acceleration/energy drift too large   8.34596789237521     
+   31.5792491575390       split increased to            2  itime      369877 
   itsplit           1
 Velocities reset to random values, time            73999.80
 Momenta zeroed out, time            73999.80
- acceleration/energy drift too large   5.72945699605483     
-   13.3821568024817       split increased to            2  itime      370064 
+ acceleration/energy drift too large   7.36248773927233     
+   10.4435310893568       split increased to            2  itime      370136 
   itsplit           1
- acceleration/energy drift too large   7.13187612405899     
-   71.8740285353475       split increased to            2  itime      370226 
+ acceleration/energy drift too large   5.91169409982047     
+   10.7205191457167       split increased to            2  itime      370638 
   itsplit           1
- acceleration/energy drift too large   1.77226590990124     
-   17.9852831921487       split increased to            4  itime      370226 
-  itsplit           2
 Momenta zeroed out, time            74199.80
- acceleration/energy drift too large   5.28486551215692     
-   19.0558349333380       split increased to            2  itime      371596 
+ acceleration/energy drift too large   4.64169575424186     
+   12.8611161664500       split increased to            2  itime      371354 
   itsplit           1
- acceleration/energy drift too large   3.77508180626698     
-   10.6255981807967       split increased to            2  itime      371796 
+ acceleration/energy drift too large   6.79097675134863     
+   33.3581988992706       split increased to            2  itime      371881 
   itsplit           1
 Momenta zeroed out, time            74399.80
- acceleration/energy drift too large   6.48063529765524     
-   45.0895965256270       split increased to            2  itime      372819 
+ acceleration/energy drift too large   5.06138733272659     
+   13.0739558017324       split increased to            2  itime      372131 
   itsplit           1
-Momenta zeroed out, time            74599.80
- acceleration/energy drift too large   5.61485653992003     
-   26.8804357333588       split increased to            2  itime      373335 
+ acceleration/energy drift too large   6.26068709478357     
+   20.0760892459290       split increased to            2  itime      372151 
   itsplit           1
- acceleration/energy drift too large   3.60415668259695     
-   11.2674168875119       split increased to            2  itime      373927 
+ acceleration/energy drift too large   4.85825146926195     
+   27.6487246709984       split increased to            2  itime      372560 
   itsplit           1
+ acceleration/energy drift too large   6.51487119672008     
+   11.9473992302247       split increased to            2  itime      372988 
+  itsplit           1
+Momenta zeroed out, time            74599.80
 Momenta zeroed out, time            74799.80
- acceleration/energy drift too large   3.72675196372889     
-   13.2219772138916       split increased to            2  itime      374063 
+ acceleration/energy drift too large   3.97884028713600     
+   12.0486211492925       split increased to            2  itime      374439 
   itsplit           1
- acceleration/energy drift too large   5.02337314901826     
-   12.7064881313694       split increased to            2  itime      374890 
+ acceleration/energy drift too large   5.11829533823263     
+   14.6537300245735       split increased to            2  itime      374505 
   itsplit           1
 Momenta zeroed out, time            74999.80
- acceleration/energy drift too large   7.36053876237430     
-   24.1705598432718       split increased to            2  itime      375692 
-  itsplit           1
- acceleration/energy drift too large   3.32391398363362     
-   15.3355688668106       split increased to            2  itime      375986 
-  itsplit           1
 Momenta zeroed out, time            75199.80
- acceleration/energy drift too large   5.31659904980135     
-   20.8611074459716       split increased to            2  itime      376436 
-  itsplit           1
- acceleration/energy drift too large   3.89392462310179     
-   12.4739287747940       split increased to            2  itime      376574 
+ acceleration/energy drift too large   3.80349534562967     
+   11.7390537584258       split increased to            2  itime      376354 
   itsplit           1
 Momenta zeroed out, time            75399.80
- acceleration/energy drift too large   2.57094168718854     
-   24.4839942713443       split increased to            2  itime      377066 
-  itsplit           1
- acceleration/energy drift too large   7.15278797012245     
-   50.4811918973110       split increased to            2  itime      377407 
+ acceleration/energy drift too large   2.88987174421995     
+   16.8968368709721       split increased to            2  itime      377207 
   itsplit           1
 Momenta zeroed out, time            75599.80
- acceleration/energy drift too large   4.15875369123667     
-   21.0457252630922       split increased to            2  itime      378783 
-  itsplit           1
 Momenta zeroed out, time            75799.80
- acceleration/energy drift too large   7.08012482302278     
-   49.1009885411933       split increased to            2  itime      379843 
+ acceleration/energy drift too large   4.93230334846093     
+   15.2622627999742       split increased to            2  itime      379189 
+  itsplit           1
+ acceleration/energy drift too large   3.75959407557154     
+   10.3972895990106       split increased to            2  itime      379396 
+  itsplit           1
+ acceleration/energy drift too large   2.99572493335118     
+   12.7015149320139       split increased to            2  itime      379998 
+  itsplit           1
+ acceleration/energy drift too large   2.99666465650885     
+   11.9610148959475       split increased to            2  itime      379999 
   itsplit           1
 Velocities reset to random values, time            75999.80
 Momenta zeroed out, time            75999.80
-Momenta zeroed out, time            76199.80
- acceleration/energy drift too large   5.96314653374339     
-   38.7220468771670       split increased to            2  itime      381007 
+ acceleration/energy drift too large   8.57145363505321     
+   34.4788373595547       split increased to            2  itime      380747 
   itsplit           1
-Momenta zeroed out, time            76399.80
- acceleration/energy drift too large   2.02690457339092     
-   10.6194247084148       split increased to            2  itime      382185 
+Momenta zeroed out, time            76199.80
+ acceleration/energy drift too large   4.22141652714494     
+   16.7218928415521       split increased to            2  itime      381303 
   itsplit           1
- acceleration/energy drift too large   4.48508033908178     
-   15.0635094323796       split increased to            2  itime      382594 
+ acceleration/energy drift too large   4.58017547855005     
+   10.1850271633740       split increased to            2  itime      381920 
   itsplit           1
- acceleration/energy drift too large   3.88489085156899     
-   10.6430224584491       split increased to            2  itime      382659 
+Momenta zeroed out, time            76399.80
+Momenta zeroed out, time            76599.80
+ acceleration/energy drift too large   8.79404072660196     
+   41.6305695236465       split increased to            2  itime      383200 
   itsplit           1
- acceleration/energy drift too large   4.46067268423756     
-   22.1117227474458       split increased to            2  itime      382925 
+ acceleration/energy drift too large   4.20573854334821     
+   16.3061027516865       split increased to            2  itime      383761 
   itsplit           1
-Momenta zeroed out, time            76599.80
 Momenta zeroed out, time            76799.80
- acceleration/energy drift too large   5.20215129595726     
-   15.9664880622526       split increased to            2  itime      384109 
+ acceleration/energy drift too large   5.69507148983163     
+   15.2642155384439       split increased to            2  itime      384440 
   itsplit           1
 Momenta zeroed out, time            76999.80
-Momenta zeroed out, time            77199.80
- acceleration/energy drift too large   4.50240561900722     
-   20.6957054193533       split increased to            2  itime      386242 
+ acceleration/energy drift too large   2.08179207710464     
+   10.4780594363841       split increased to            2  itime      385007 
+  itsplit           1
+ acceleration/energy drift too large   12.0490430319595     
+   60.5708244317499       split increased to            2  itime      385131 
   itsplit           1
- acceleration/energy drift too large   3.83396098898419     
-   17.5228011829917       split increased to            2  itime      386822 
+ acceleration/energy drift too large   2.97661701784069     
+   15.3041017231440       split increased to            4  itime      385131 
+  itsplit           2
+Momenta zeroed out, time            77199.80
+ acceleration/energy drift too large   10.0923226608567     
+   38.3402009487357       split increased to            2  itime      386276 
   itsplit           1
- acceleration/energy drift too large   4.90549782261542     
-   21.2360359638884       split increased to            2  itime      386848 
+ acceleration/energy drift too large   13.1870659923079     
+   59.3115220651745       split increased to            2  itime      386835 
   itsplit           1
+ acceleration/energy drift too large   3.03612530305256     
+   12.8536093204189       split increased to            4  itime      386835 
+  itsplit           2
 Momenta zeroed out, time            77399.80
- acceleration/energy drift too large   6.40463814404723     
-   17.7921429920707       split increased to            2  itime      387163 
-  itsplit           1
 Momenta zeroed out, time            77599.80
- acceleration/energy drift too large   3.17126663382590     
-   18.1578553613641       split increased to            2  itime      388290 
+ acceleration/energy drift too large   6.04851104020238     
+   31.6912386505685       split increased to            2  itime      388158 
   itsplit           1
- acceleration/energy drift too large   5.53515416383123     
-   28.5981427308943       split increased to            2  itime      388292 
+ acceleration/energy drift too large   1.72965744388670     
+   13.9465673194219       split increased to            2  itime      388159 
   itsplit           1
- acceleration/energy drift too large   4.17583363319607     
-   10.5903990813854       split increased to            2  itime      388453 
+ acceleration/energy drift too large   3.57467501164577     
+   18.6454017611137       split increased to            2  itime      388287 
+  itsplit           1
+ acceleration/energy drift too large   5.91454315287809     
+   23.8808681698007       split increased to            2  itime      388315 
   itsplit           1
 Momenta zeroed out, time            77799.80
- acceleration/energy drift too large   9.47327983956052     
-   33.6379628569616       split increased to            2  itime      389048 
+ acceleration/energy drift too large   5.49665654905263     
+   36.6136773571466       split increased to            2  itime      389433 
+  itsplit           1
+ acceleration/energy drift too large   3.63010608093552     
+   17.4030599129058       split increased to            2  itime      389434 
   itsplit           1
 Velocities reset to random values, time            77999.80
 Momenta zeroed out, time            77999.80
- acceleration/energy drift too large   9.38424225308825     
-   32.3090593745763       split increased to            2  itime      390620 
+ acceleration/energy drift too large   5.00840631135300     
+   10.8017267067234       split increased to            2  itime      390071 
   itsplit           1
-Momenta zeroed out, time            78199.80
- acceleration/energy drift too large   5.21389951425185     
-   16.5889330411587       split increased to            2  itime      391128 
+ acceleration/energy drift too large   8.05153284318906     
+   22.2062444170832       split increased to            2  itime      390946 
+  itsplit           1
+ acceleration/energy drift too large   3.66472329949975     
+   13.1430831624881       split increased to            2  itime      390989 
   itsplit           1
- acceleration/energy drift too large   3.98797879696473     
-   20.1908544447103       split increased to            2  itime      391818 
+Momenta zeroed out, time            78199.80
+ acceleration/energy drift too large   6.04559421480291     
+   22.0176631586608       split increased to            2  itime      391728 
   itsplit           1
 Momenta zeroed out, time            78399.80
- acceleration/energy drift too large   3.63833946918549     
-   16.1223371617824       split increased to            2  itime      392592 
+ acceleration/energy drift too large   8.39451178822379     
+   38.0794290685356       split increased to            2  itime      392156 
   itsplit           1
 Momenta zeroed out, time            78599.80
+ acceleration/energy drift too large   5.44742802386343     
+   37.6237823321926       split increased to            2  itime      393630 
+  itsplit           1
+ acceleration/energy drift too large   2.29309021908003     
+   14.6437303184867       split increased to            2  itime      393727 
+  itsplit           1
+ acceleration/energy drift too large   2.23562878552569     
+   13.5426812651232       split increased to            2  itime      393828 
+  itsplit           1
 Momenta zeroed out, time            78799.80
- acceleration/energy drift too large   6.06268855019911     
-   14.5203732715196       split increased to            2  itime      394116 
+ acceleration/energy drift too large   3.33701031822629     
+   10.0903036661388       split increased to            2  itime      394044 
+  itsplit           1
+ acceleration/energy drift too large   4.59734568206632     
+   14.3307280636264       split increased to            2  itime      394207 
+  itsplit           1
+ acceleration/energy drift too large   4.38861171548897     
+   21.5552269398350       split increased to            2  itime      394449 
+  itsplit           1
+ acceleration/energy drift too large   3.67395095510199     
+   26.0400646861598       split increased to            2  itime      394531 
+  itsplit           1
+ acceleration/energy drift too large   6.67063080059326     
+   22.0072156231032       split increased to            2  itime      394959 
   itsplit           1
 Momenta zeroed out, time            78999.80
+ acceleration/energy drift too large   2.60815748783318     
+   10.7431478888770       split increased to            2  itime      395555 
+  itsplit           1
 Momenta zeroed out, time            79199.80
+ acceleration/energy drift too large   3.03710333751446     
+   11.2841001910203       split increased to            2  itime      396349 
+  itsplit           1
+ acceleration/energy drift too large   2.41476584059224     
+   15.6451395750182       split increased to            2  itime      396394 
+  itsplit           1
+ acceleration/energy drift too large   7.50302396666379     
+   23.2691738161808       split increased to            2  itime      396952 
+  itsplit           1
 Momenta zeroed out, time            79399.80
- acceleration/energy drift too large   4.99398486869337     
-   11.2932532442404       split increased to            2  itime      397462 
+ acceleration/energy drift too large   3.41850461019399     
+   13.6874782950075       split increased to            2  itime      397046 
   itsplit           1
- acceleration/energy drift too large   2.15394362513667     
-   10.1311281759189       split increased to            2  itime      397766 
+ acceleration/energy drift too large   1.51085844719483     
+   10.7736916808983       split increased to            2  itime      397047 
   itsplit           1
 Momenta zeroed out, time            79599.80
+ acceleration/energy drift too large   5.39212815665615     
+   25.7145926231290       split increased to            2  itime      398604 
+  itsplit           1
+ acceleration/energy drift too large   4.81196194124382     
+   16.5584314710377       split increased to            2  itime      398607 
+  itsplit           1
+ acceleration/energy drift too large   6.22823780795652     
+   41.4149301104119       split increased to            2  itime      398664 
+  itsplit           1
+ acceleration/energy drift too large   5.58957919200326     
+   13.4623801491263       split increased to            2  itime      398716 
+  itsplit           1
+ acceleration/energy drift too large   7.77634504489749     
+   18.8206009194636       split increased to            2  itime      398731 
+  itsplit           1
+ acceleration/energy drift too large   2.58381548687250     
+   15.8479114245667       split increased to            2  itime      398756 
+  itsplit           1
 Momenta zeroed out, time            79799.80
+ acceleration/energy drift too large   2.11082887509791     
+   17.5528545833686       split increased to            2  itime      399049 
+  itsplit           1
+ acceleration/energy drift too large   4.72414263657789     
+   14.7399848476624       split increased to            2  itime      399221 
+  itsplit           1
+ acceleration/energy drift too large   3.52839236963288     
+   11.2632175059212       split increased to            2  itime      399691 
+  itsplit           1
 Velocities reset to random values, time            79999.80
 Momenta zeroed out, time            79999.80
- acceleration/energy drift too large   5.69900252257164     
-   21.8622656830332       split increased to            2  itime      400003 
+ acceleration/energy drift too large   3.07897776502770     
+   16.6305800996174       split increased to            2  itime      400179 
   itsplit           1
- acceleration/energy drift too large   3.67307690330852     
-   19.6395411804927       split increased to            2  itime      400786 
+ acceleration/energy drift too large   4.86295795952525     
+   12.4758960368299       split increased to            2  itime      400564 
   itsplit           1
- acceleration/energy drift too large   2.22940325985167     
-   11.3734410138233       split increased to            2  itime      400845 
+ acceleration/energy drift too large   4.25266273608075     
+   10.4729574421856       split increased to            2  itime      400738 
   itsplit           1
 Momenta zeroed out, time            80199.80
- acceleration/energy drift too large   5.15961879400141     
-   16.3183730032918       split increased to            2  itime      401883 
+ acceleration/energy drift too large   5.20405003725655     
+   16.3840792073068       split increased to            2  itime      401055 
   itsplit           1
- acceleration/energy drift too large   6.79298638172473     
-   17.4323116759528       split increased to            2  itime      401902 
+ acceleration/energy drift too large   4.47334753536020     
+   18.7517104815341       split increased to            2  itime      401099 
   itsplit           1
-Momenta zeroed out, time            80399.80
- acceleration/energy drift too large   6.05613263091807     
-   14.8613282007548       split increased to            2  itime      402196 
+ acceleration/energy drift too large   3.24649658699884     
+   10.5734984624027       split increased to            2  itime      401210 
   itsplit           1
- acceleration/energy drift too large   3.21876824197644     
-   24.7886613874813       split increased to            2  itime      402438 
+Momenta zeroed out, time            80399.80
+ acceleration/energy drift too large   3.88797097873656     
+   15.1797971621926       split increased to            2  itime      402371 
   itsplit           1
- acceleration/energy drift too large   8.60882292971077     
-   11.9198445766875       split increased to            2  itime      402983 
+ acceleration/energy drift too large   5.13786769811159     
+   10.8212211638851       split increased to            2  itime      402465 
   itsplit           1
 Momenta zeroed out, time            80599.80
- acceleration/energy drift too large   2.78310290816173     
-   10.0771586243865       split increased to            2  itime      403319 
+ acceleration/energy drift too large   5.22464158688282     
+   18.7217877575404       split increased to            2  itime      403637 
   itsplit           1
- acceleration/energy drift too large   3.97816035706358     
-   16.7301605916324       split increased to            2  itime      403789 
+ acceleration/energy drift too large   3.90671633784028     
+   17.1388859399921       split increased to            2  itime      403843 
   itsplit           1
 Momenta zeroed out, time            80799.80
- acceleration/energy drift too large   6.06393768813022     
-   34.9978356866814       split increased to            2  itime      404477 
+ acceleration/energy drift too large   5.08638339127570     
+   15.6681428173686       split increased to            2  itime      404103 
   itsplit           1
-Momenta zeroed out, time            80999.80
- acceleration/energy drift too large   4.74586286367434     
-   25.1411740789117       split increased to            2  itime      405760 
+ acceleration/energy drift too large   4.32522855631449     
+   10.1755994159386       split increased to            2  itime      404630 
   itsplit           1
- acceleration/energy drift too large   6.48024398154624     
-   18.4439261327728       split increased to            2  itime      405963 
+ acceleration/energy drift too large   4.43760839786434     
+   10.2684376471258       split increased to            2  itime      404816 
   itsplit           1
-Momenta zeroed out, time            81199.80
- acceleration/energy drift too large   4.45614876242778     
-   13.1218716808227       split increased to            2  itime      406232 
+Momenta zeroed out, time            80999.80
+ acceleration/energy drift too large   5.62727611891394     
+   17.2587662053960       split increased to            2  itime      405704 
   itsplit           1
-Momenta zeroed out, time            81399.80
- acceleration/energy drift too large   4.38298931718363     
-   12.7601944309135       split increased to            2  itime      407196 
+ acceleration/energy drift too large   5.28328295665669     
+   12.0501740136208       split increased to            2  itime      405738 
+  itsplit           1
+Momenta zeroed out, time            81199.80
+ acceleration/energy drift too large   4.35291035637734     
+   11.3494709584685       split increased to            2  itime      406593 
   itsplit           1
- acceleration/energy drift too large   1.99836315327516     
-   11.6335021223354       split increased to            2  itime      407775 
+ acceleration/energy drift too large   11.7100978246177     
+   34.8874815096791       split increased to            2  itime      406696 
   itsplit           1
- acceleration/energy drift too large   5.13932679051977     
-   11.2869906732456       split increased to            2  itime      407867 
+ acceleration/energy drift too large   5.76106735570998     
+   13.5888715095614       split increased to            2  itime      406808 
   itsplit           1
-Momenta zeroed out, time            81599.80
- acceleration/energy drift too large   3.81268759912649     
-   16.3505382258370       split increased to            2  itime      408356 
+ acceleration/energy drift too large   2.97345510131419     
+   13.3967748923846       split increased to            4  itime      406808 
   itsplit           1
- acceleration/energy drift too large   5.13624020609621     
-   10.2415629739916       split increased to            2  itime      408850 
+Momenta zeroed out, time            81399.80
+ acceleration/energy drift too large   7.45723666844797     
+   19.0078262470705       split increased to            2  itime      407156 
   itsplit           1
-Momenta zeroed out, time            81799.80
- acceleration/energy drift too large   14.2669663521872     
-   79.4379716523819       split increased to            2  itime      409591 
+ acceleration/energy drift acceleration/energy drift too large   3.81686260219967     
+   10.9474360559956       split increased to            2  itime      4046 acceleration/energy drift too large   6.3303Momenta zeroed out, time            81799.80
+ acceleration/energy drift too large   3.26680941357324     
+   12.9465419808176       split increased to            2  itime      409636 
   itsplit           1
- acceleration/energy drift too large   5.91522611334711     
-   21.4714937100034       split increased to            2  itime      409651 
+ acceleration/energy drift too large   7.22968705258220     
+   13.8717886395963       split increased to            2  itime      409885 
   itsplit           1
- acceleration/energy drift too large   4.79093581866039     
-   14.0630383252269       split increased to            2  itime      409876 
+ acceleration/energy drift too large   5.10812231731671     
+   10.7691798116452       split increased to            2  itime      409892 
   itsplit           1
 Velocities reset to random values, time            81999.80
 Momenta zeroed out, time            81999.80
- acceleration/energy drift too large   6.85823999123045     
-   21.9337291728379       split increased to            2  itime      410434 
-  itsplit           1
- acceleration/energy drift too large   3.14612794921822     
-   13.2395728450644       split increased to            2  itime      410921 
+ acceleration/energy drift too large   11.0487235955107     
+   55.1443811160352       split increased to            2  itime      410091 
   itsplit           1
 Momenta zeroed out, time            82199.80
- acceleration/energy drift too large   2.95455026688346     
-   20.1367662980296       split increased to            2  itime      411256 
+ acceleration/energy drift too large   5.59655956724900     
+   15.5178015592909       split increased to            2  itime      411130 
   itsplit           1
- acceleration/energy drift too large   4.05272156360856     
-   16.5328788061991       split increased to            2  itime      411262 
+ acceleration/energy drift too large   11.3314149586403     
+   56.6757168309931       split increased to            2  itime      411155 
   itsplit           1
- acceleration/energy drift too large   5.14154673621453     
-   11.2669999307351       split increased to            2  itime      411377 
+ acceleration/energy drift too large   4.59475290473171     
+   12.3056468185431       split increased to            2  itime      411190 
   itsplit           1
- acceleration/energy drift too large   2.77457789445545     
-   11.8677457133302       split increased to            4  itime      411377 
+ acceleration/energy drift too large   4.36579772689160     
+   11.3977098673633       split increased to            2  itime      411957 
   itsplit           1
 Momenta zeroed out, time            82399.80
- acceleration/energy drift too large   2.12006855005487     
-   10.0738132439446       split increased to            2  itime      412126 
-  itsplit           1
 Momenta zeroed out, time            82599.80
- acceleration/energy drift too large   3.88346407439387     
-   10.3833831865378       split increased to            2  itime      413046 
+ acceleration/energy drift too large   7.50527225753495     
+   20.1714959156607       split increased to            2  itime      413651 
   itsplit           1
- acceleration/energy drift too large   3.77534112248565     
-   28.9199803916968       split increased to            2  itime      413152 
+Momenta zeroed out, time            82799.80
+ acceleration/energy drift too large   5.76177396484874     
+   12.8427525127903       split increased to            2  itime      414992 
+  itsplit           1
+Momenta zeroed out, time            82999.80
+ acceleration/energy drift too large   10.5773719746968     
+   48.3197968331079       split increased to            2  itime      415085 
   itsplit           1
- acceleration/energy drift too large   3.15157779276585     
-   11.8475754040034       split increased to            2  itime      413663 
+ acceleration/energy drift too large  0.131411724645397     
+   10.7157025934839       split increased to            2  itime      415086 
   itsplit           1
-Momenta zeroed out, time            82799.80
- acceleration/energy drift too large   3.78451762315101     
-   14.7988186226284       split increased to            2  itime      414104 
+ acceleration/energy drift too large   4.62759605630260     
+   12.0729569301945       split increased to            2  itime      415087 
   itsplit           1
- acceleration/energy drift too large   5.59829369040676     
-   22.0408928116218       split increased to            2  itime      414274 
+ acceleration/energy driftMomenta zeroed out, time            82599.80
+ acceleration/energy drift too large   5.88349868056650     
+   22.1330408821637       split increased to            2  itime      413053 
+  itsplit           1
+ acceleration/energy drift too large   4.87695954912273     
+   16.2277651201573       split increased to            2  itime      4137 acceleration/energy driftMomenta zeroed out, time            82799.80
+ acceleration/energy drift too large   7.24306337486556     
+   13.3812403749963       split increased to            2  itime      414985 
   itsplit           1
 Momenta zeroed out, time            82999.80
-Momenta zeroed out, time            83199.80
- acceleration/energy drift too large   5.67653191276051     
-   22.7636955498115       split increased to            2  itime      416513 
+ acceleration/energy drift too large   5.35360338243915     
+   17.3041113028175       split increased to            2  itime      415768 
   itsplit           1
+ acceleration/energy drift too large   3.13579165441718     
+   11.2504621959077       split increased to            2  itime      415960 
+  itsplit           1
+Momenta zeroed out, time            83199.80
 Momenta zeroed out, time            83399.80
- acceleration/energy drift too large   3.84513244958203     
-   14.3659776668680       split increased to            2  itime      417425 
+ acceleration/energy drift too large   9.47600551592163     
+   53.7943264380703       split increased to            2  itime      417399 
   itsplit           1
 Momenta zeroed out, time            83599.80
+ acceleration/energy drift too large   5.17480387646215     
+   13.1548247171010       split increased to            2  itime      418896 
+  itsplit           1
 Momenta zeroed out, time            83799.80
+ acceleration/energy drift too large   6.43596995915046     
+   42.1922270349859       split increased to            2  itime      419123 
+  itsplit           1
+ acceleration/energy drift too large   10.9046907207545     
+   61.0744809879250       split increased to            2  itime      419189 
+  itsplit           1
+ acceleration/energy drift too large   5.58798055769870     
+   30.2135321715513       split increased to            2  itime      419244 
+  itsplit           1
+ acceleration/energy drift too large   5.16808006428270     
+   27.1957936897536       split increased to            2  itime      419245 
+  itsplit           1
 Velocities reset to random values, time            83999.80
 Momenta zeroed out, time            83999.80
- acceleration/energy drift too large   4.00567972847790     
-   10.9215010040077       split increased to            2  itime      420155 
-  itsplit           1
 Momenta zeroed out, time            84199.80
- acceleration/energy drift too large   2.79046411638300     
-   12.3518332032651       split increased to            2  itime      421890 
-  itsplit           1
 Momenta zeroed out, time            84399.80
+ acceleration/energy drift too large   12.0634557070422     
+   72.1671160946627       split increased to            2  itime      422198 
+  itsplit           1
+ acceleration/energy drift too large   5.15656794491972     
+   16.5300646964696       split increased to            2  itime      422450 
+  itsplit           1
 Momenta zeroed out, time            84599.80
+ acceleration/energy drift too large   4.54242458418041     
+   13.4857736375308       split increased to            2  itime      423572 
+  itsplit           1
 Momenta zeroed out, time            84799.80
- acceleration/energy drift too large   6.17584635359554     
-   26.5257833038834       split increased to            2  itime      424319 
+ acceleration/energy drift too large   6.79844199064510     
+   26.5674903141635       split increased to            2  itime      424164 
   itsplit           1
- acceleration/energy drift too large   10.2315730466412     
-   39.5766465298654       split increased to            2  itime      424992 
+ acceleration/energy drift too large   3.76085773212855     
+   12.4239821746851       split increased to            2  itime      424349 
   itsplit           1
 Momenta zeroed out, time            84999.80
- acceleration/energy drift too large   4.92149004038419     
-   10.7948266605825       split increased to            2  itime      425786 
-  itsplit           1
-Momenta zeroed out, time            85199.80
- acceleration/energy drift too large   4.53602248891825     
-   13.7929705120889       split increased to            2  itime      426202 
+ acceleration/energy drift too large   2.07794480992477     
+   12.8185432098712       split increased to            2  itime      425075 
   itsplit           1
- acceleration/energy drift too large   5.50120004275881     
-   13.5577760149911       split increased to            2  itime      426922 
+ acceleration/energy drift too large   11.8894827629186     
+   60.1447681683126       split increased to            2  itime      425564 
   itsplit           1
+Momenta zeroed out, time            85199.80
 Momenta zeroed out, time            85399.80
- acceleration/energy drift too large   4.71933540797062     
-   15.7915897610082       split increased to            2  itime      427778 
+ acceleration/energy drift too large   5.95874198896329     
+   12.4345641352776       split increased to            2  itime      427410 
   itsplit           1
 Momenta zeroed out, time            85599.80
- acceleration/energy drift too large   3.32532950505715     
-   21.4393910517780       split increased to            2  itime      428016 
+ acceleration/energy drift too large   4.97053330636214     
+   22.5578868409562       split increased to            2  itime      428779 
   itsplit           1
-Momenta zeroed out, time            85799.80
- acceleration/energy drift too large   2.36503981570683     
-   12.9060613727407       split increased to            2  itime      429486 
+ acceleration/energy drift too large   3.85008538490753     
+   13.4887854883553       split increased to            2  itime      428781 
   itsplit           1
- acceleration/energy drift too large   4.50024837878401     
-   17.8575536541634       split increased to            2  itime      429609 
+Momenta zeroed out, time            85799.80
+ acceleration/energy drift too large   5.80969344113038     
+   37.6326137932415       split increased to            2  itime      429343 
   itsplit           1
- acceleration/energy drift too large   7.63925310686109     
-   25.9035296549721       split increased to            2  itime      429649 
+ acceleration/energy drift too large   7.20453379250858     
+   13.7397344252921       split increased to            2  itime      429927 
   itsplit           1
 Velocities reset to random values, time            85999.80
 Momenta zeroed out, time            85999.80
- acceleration/energy drift too large   5.58131621750803     
-   14.9958154697923       split increased to            2  itime      430618 
+ acceleration/energy drift too large   5.06894143374964     
+   11.7141471376741       split increased to            2  itime      430039 
+  itsplit           1
+ acceleration/energy drift too large   4.88634673989214     
+   11.5357682506616       split increased to            2  itime      430313 
   itsplit           1
- acceleration/energy drift too large   3.29148403759533     
-   14.6913609131612       split increased to            2  itime      430906 
+ acceleration/energy drift too large   8.62273209600454     
+   33.8686123087219       split increased to            2  itime      430954 
   itsplit           1
 Momenta zeroed out, time            86199.80
- acceleration/energy drift too large   3.30466386195823     
-   11.7907357766788       split increased to            2  itime      431927 
+ acceleration/energy drift too large   2.31867264163235     
+   15.8685361355457       split increased to            2  itime      431543 
   itsplit           1
-Momenta zeroed out, time            86399.80
- acceleration/energy drift too large   9.95509622734321     
-   41.1822313667774       split increased to            2  itime      432541 
+ acceleration/energy drift too large   4.51072810014918     
+   24.5613746215851       split increased to            2  itime      431879 
   itsplit           1
+Momenta zeroed out, time            86399.80
 Momenta zeroed out, time            86599.80
- acceleration/energy drift too large   8.21636173376066     
-   22.0893647804013       split increased to            2  itime      433157 
+ acceleration/energy drift too large   5.29035825471826     
+   17.1484901743814       split increased to            2  itime      433246 
   itsplit           1
- acceleration/energy drift too large   7.78271545469257     
-   20.9095146455007       split increased to            2  itime      433985 
+ acceleration/energy drift too large   7.22465840607415     
+   22.2089487778946       split increased to            2  itime      433309 
   itsplit           1
 Momenta zeroed out, time            86799.80
- acceleration/energy drift too large   2.67131004674968     
-   12.4547919086502       split increased to            2  itime      434671 
-  itsplit           1
- acceleration/energy drift too large   4.26031372008641     
-   11.8210383970941       split increased to            2  itime      434717 
+ acceleration/energy drift too large   12.6223278481753     
+   54.6958274341846       split increased to            2  itime      434147 
   itsplit           1
 Momenta zeroed out, time            86999.80
- acceleration/energy drift too large   3.35783666840235     
-   24.0832920872441       split increased to            2  itime      435165 
-  itsplit           1
- acceleration/energy drift too large   2.90435520431239     
-   18.9835867612448       split increased to            2  itime      435461 
-  itsplit           1
- acceleration/energy drift too large   3.18735061146953     
-   18.3049992598062       split increased to            2  itime      435917 
+ acceleration/energy drift too large   4.15150554640651     
+   26.8935824736050       split increased to            2  itime      435672 
   itsplit           1
 Momenta zeroed out, time            87199.80
- acceleration/energy drift too large   15.3486078119553     
-   102.246500968261       split increased to            2  itime      436250 
-  itsplit           1
- acceleration/energy drift too large   6.16453755863215     
-   16.2759231006962       split increased to            2  itime      436630 
+ acceleration/energy drift too large   6.42735459330476     
+   48.0959273890442       split incrMomenta zeroed out, time            86399.80
+ acceleration/energy drift too large   4.64160574873590     
+   18.8907658104582       split increased to            2  itime      432020 
   itsplit           1
- acceleration/energy drift too large   3.06425038572278     
-   14.3593185258891       split increased to            2  itime      436761 
+ acceleration/energ acceleration/energy drift too large   3.19834716288399     
+   11.8572547413963       split increased to            2  itime      436846 
   itsplit           1
 Momenta zeroed out, time            87399.80
- acceleration/energy drift too large   6.44662547385394     
-   38.3105046850493       split increased to            2  itime      437112 
-  itsplit           1
- acceleration/energy drift too large   5.16110618242082     
-   15.8890081248934       split increased to            2  itime      437843 
-  itsplit           1
 Momenta zeroed out, time            87599.80
- acceleration/energy drift too large   6.13138174809274     
-   28.0876839614220       split increased to            2  itime      438289 
-  itsplit           1
- acceleration/energy drift too large   3.79157134393026     
-   15.1752246585265       split increased to            2  itime      438339 
-  itsplit           1
- acceleration/energy drift too large   3.61243212673523     
-   26.9994435088057       split increased to            2  itime      438514 
-  itsplit           1
- acceleration/energy drift too large   3.25277968605878     
-   13.0101135147589       split increased to            2  itime      438945 
-  itsplit           1
 Momenta zeroed out, time            87799.80
- acceleration/energy drift too large   4.55602688060551     
-   19.1796627172155       split increased to            2  itime      439608 
+ acceleration/energy drift too large   5.04674429471235     
+   11.8508675908023       split increased to            2  itime      439692 
   itsplit           1
 Velocities reset to random values, time            87999.80
 Momenta zeroed out, time            87999.80
- acceleration/energy drift too large   5.30218685386832     
-   31.4456651817237       split increased to            2  itime      440105 
-  itsplit           1
 Momenta zeroed out, time            88199.80
- acceleration/energy drift too large   3.87566830233285     
-   16.5594308449067       split increased to            2  itime      441633 
+ acceleration/energy drift too large   6.16064563934182     
+   30.0911697194294       split increased to            2  itime      441472 
   itsplit           1
 Momenta zeroed out, time            88399.80
- acceleration/energy drift too large   3.84627054986775     
-   21.0749439557041       split increased to            2  itime      442238 
-  itsplit           1
-Momenta zeroed out, time            88599.80
-Momenta zeroed out, time            88799.80
- acceleration/energy drift too large   3.88538681775378     
-   10.4987770891481       split increased to            2  itime      444280 
+ acceleration/energy drift too large   9.41132210473045     
+   39.0960431153929       split increased to            2  itime      442424 
   itsplit           1
- acceleration/energy drift too large   4.70924113828567     
-   16.4331785232116       split increased to            2  itime      444406 
+ acceleration/energy drift too large   6.08356773335848     
+   39.5557877815177       split increased to            2  itime      442530 
   itsplit           1
- acceleration/energy drift too large   4.37408572773722     
-   19.7424647116491       split increased to            2  itime      444768 
+Momenta zeroed out, time            88599.80
+ acceleration/energy drift too large   4.02684001349140     
+   11.0397841202048       split increased to            2  itime      443905 
   itsplit           1
+Momenta zeroed out, time            88799.80
 Momenta zeroed out, time            88999.80
- acceleration/energy drift too large   3.10308010204855     
-   13.6832254308935       split increased to            2  itime      445360 
-  itsplit           1
- acceleration/energy drift too large   5.02206091066097     
-   22.6661947745323       split increased to            2  itime      445881 
+ acceleration/energy drift too large   6.75183421717931     
+   15.6416697289842       split increased to            2  itime      445974 
   itsplit           1
 Momenta zeroed out, time            89199.80
 Momenta zeroed out, time            89399.80
- acceleration/energy drift too large   4.26751461811697     
-   20.1934195772722       split increased to            2  itime      447094 
-  itsplit           1
- acceleration/energy drift too large   3.62982857389495     
-   12.2751357453380       split increased to            2  itime      447443 
-  itsplit           1
-Momenta zeroed out, time            89599.80
- acceleration/energy drift too large   3.18744867444065     
-   10.9586546891571       split increased to            2  itime      448819 
-  itsplit           1
-Momenta zeroed out, time            89799.80
- acceleration/energy drift too large   5.74147793269211     
-   17.1214717915407       split increased to            2  itime      449664 
-  itsplit           1
- acceleration/energy drift too large   10.0846532257010     
-   25.5803805081139       split increased to            2  itime      449713 
-  itsplit           1
+ acceleration/energy drift too large   3.61015855967010     
+   13.4798844464539       split increased to            2  itime      447417 
+  i acceleration/energ acceleration/energy drift too large   5.95487621828666     
+   29.3753427284676       split increased to            2  itime      447809 
+  iMomenta zeroed out, time            88799.80
+ acceleration/energy drift too large   5.21000658234693     
+   11.2147431643855       split increased to            2  itime      444381 
+  itsplit           1
+ acceleration/energMomenta zeroed out, time            89799.80
 Velocities reset to random values, time            89999.80
 Momenta zeroed out, time            89999.80
-Momenta zeroed out, time            90199.80
-Momenta zeroed out, time            90399.80
- acceleration/energy drift too large   5.37534449997840     
-   32.1997733008578       split increased to            2  itime      452577 
+ acceleration/energy drift too large   2.04974443096218     
+   10.3108263890467       split increased to            2  itime      450711 
   itsplit           1
- acceleration/energy drift too large   6.63056244195840     
-   20.7823506714972       split increased to            2  itime      452771 
+Momenta zeroed out, time            90199.80
+ acceleration/energy drift too large   5.38575926841196     
+   12.1624874491338       split increased to            2  itime      451717 
   itsplit           1
- acceleration/energy drift too large   3.87339633481433     
-   12.3833735104376       split increased to            2  itime      452780 
+Momenta zeroed out, time            90399.80
+ acceleration/energy drift too large   6.07247499739203     
+   17.6084794420369       split increased to            2  itime      452721 
   itsplit           1
 Momenta zeroed out, time            90599.80
- acceleration/energy drift too large   12.0903399512228     
-   64.1290208807849       split increased to            2  itime      453843 
+ acceleration/energy drift too large   3.64805685367404     
+   11.2279560786894       split increased to            2  itime      453573 
   itsplit           1
- acceleration/energy drift too large   2.75613396718603     
-   13.9273227031017       split increased to            4  itime      453843 
-  itsplit           2
- acceleration/energy drift too large   1.99631323512796     
-   10.2216825544814       split increased to            2  itime      453880 
-  itsplit           1
-Momenta zeroed out, time            9Momenta  acceleration/energy drift too large  acceleration/energy drift too large   6.41677263675486     
-   22.4466280110475       split increased to            2  itimMomenta zeroed out, time            90999.80
-Momenta zeroed out, time            91199.80
- acceleration/energy drift too large   4.25419016030762     
-   19.9408287695418       split increased to            2  itime      456395 
+Momenta zeroed out, time            90799.80
+Momenta zeroed out, time            90999.80
+ acceleration/energy drift too large   7.41921981426042     
+   36.5646736128956       split increased to            2  itime      455326 
   itsplit           1
- acceleration/energy drift too large   4.94604170228651     
-   12.8424887537084       split increased to            2  itime      456808 
+ acceleration/energy drift too large   6.79677264901171     
+   19.6341511856882       split increased to            2  itime      455586 
   itsplit           1
- acceleration/energy drift too large   6.01515518067986     
-   15.8792338946913       split increased to            2  itime      456907 
+ acceleration/energy drift too large   5.86824170942346     
+   19.8369814349437       split increased to            2  itime      455638 
   itsplit           1
+Momenta zeroed out, time            91199.80
 Momenta zeroed out, time            91399.80
- acceleration/energy drift too large   7.18715455425898     
-   17.3007119237211       split increased to            2  itime      457356 
-  itsplit           1
- acceleration/energy drift too large   9.09711248814784     
-   25.2779956163878       split increased to            2  itime      457408 
-  itsplit           1
 Momenta zeroed out, time            91599.80
- acceleration/energy drift too large   4.66467615931649     
-   13.1695639507782       split increased to            2  itime      458884 
-  itsplit           1
-Momenta zeroed out, time            91799.80
- acceleration/energy drift too large   4.01924224131601     
-   13.3675185874336       split increased to            2  itime      459093 
+ acceleration/energy drift too large   7.46129013186545     
+   28.3841742587216       split increased to            2  itime      458496 
   itsplit           1
- acceleration/energy drift too large   6.26361281762115     
-   23.7203234975947       split increased to            2  itime      459488 
+ acceleration/energy drift too large   5.48318481852925     
+   22.0056864426886       split increased to            2  itime      458638 
   itsplit           1
+Momenta zeroed out, time            91799.80
 Velocities reset to random values, time            91999.80
 Momenta zeroed out, time            91999.80
- acceleration/energy drift too large   3.71378971155084     
-   15.4639264672447       split increased to            2  itime      460801 
-  itsplit           1
- acceleration/energy drift too large   4.80294827117746     
-   10.5025918737605       split increased to            2  itime      460967 
-  itsplit           1
 Momenta zeroed out, time            92199.80
-Momenta zeroed out, time            92399.80
-Momenta zeroed out, time            92599.80
- acceleration/energy drift too large   4.61933158938292     
-   17.2450241004842       split increased to            2  itime      463159 
-  itsplit           1
- acceleration/energy drift too large   5.25351559896037     
-   18.9023142281814       split increased to            2  itime      463911 
-  itsplit           1
-Momenta zeroed out, time            92799.80
- acceleration/energy drift too large   7.94023632282026     
-   17.8129467737001       split increased to            2  itime      464742 
-  itsplit           1
- acceleration/energy drift too large   3.72462978155821     
-   11.3681977020923       split increased to            2  itime      464774 
-  itsplit           1
-Momenta zeroed out, time            92999.80
- acceleration/energy drift too large   6.02550275699542     
-   15.2967310805648       split increased to            2  itime      465288 
-  itsplit           1
-Momenta zeroed out, time            93199.80
- acceleration/energy drift too large   5.41873913416901     
-   16.4143133334681       split increased to    acceleration/energy drift too large   10.51717653951 acceleration/energy drift too large   3.45171791901771     
-   11.3718550814665       split increased to            2  itime      466939 
+ acceleration/energy drift too large   2.51476341639184     
+   10.4377199858433       split increased to            2  itime      461072 
   itsplit           1
- acceleration/energy drift too large   2.47147366988 acceleration/energy drift too large   10.8377653551114     
-   55.7110900224730       split increased to            2  itime      460672 
+ acceleration/energy drift too large   2.48775495922165     
+   13.7898137466827       split increased to            2  itime      461433 
   itsplit           1
- acceleration/energy drift too large   2.85011410112218     
-   12.2020963151795       split increased to            4  itime      460672 
+ acceleration/energy drift too large   8.41873498016325     
+   87.1601368901586       split increased to            2  itime      461619 
   itsplit           1
-Momenta zeroed out, time            92199.80
- acceleration/energy drift too large   4.86947192635925     
-   13.8957447277875       split increased to            2  itime      461185 
+ acceleration/energy drift too large   2.00419313743415     
+   21.1070162545424       split increased to            4  itime      461619 
+  itsplit           2
+ acceleration/energy drift too large   10.4930861223587     
+   56.7145617400284       split increased to            2  itime      461784 
   itsplit           1
 Momenta zeroed out, time            92399.80
+ acceleration/energy drift too large   5.33680815163903     
+   12.4241702688695       split increased to            2  itime      462604 
+  itsplit           1
 Momenta zeroed out, time            92599.80
 Momenta zeroed out, time            92799.80
- acceleration/energy drift too large   6.11013544459504     
-   10.0955866455211       split increased to            2  itime      464206 
+ acceleration/energy drift too large   3.82949135179324     
+   18.5963148532142       split increased to            2  itime      464236 
   itsplit           1
 Momenta zeroed out, time            92999.80
- acceleration/energy drift too large   4.96684192800040     
-   14.9276792688000       split increased to            2  itime      465732 
+ acceleration/energy drift too large   9.69987511190559     
+   44.3120719965759       split increased to            2  itime      465129 
   itsplit           1
 Momenta zeroed out, time            93199.80
- acceleration/energy drift too large   4.86786573196363     
-   12.8158638719693       split increased to            2  itime      466024 
+ acceleration/energy drift too large   4.16629398218051     
+   10.5986194842661       split increased to            2  itime      466207 
   itsplit           1
- acceleration/energy drift too large   5.18538705750977     
-   17.1568772185429       split increased to            2  itime      466809 
+ acceleration/energy drift too large   4.37542886118177     
+   19.9599093270074       split increased to            2  itime      466285 
+  itsplit           1
+ acceleration/energy drift too large   3.90422210302694     
+   17.1715434165900       split increased to            2  itime      466851 
   itsplit           1
 Momenta zeroed out, time            93399.80
- acceleration/energy drift too large   4.88398671318230     
-   28.4275931995192       split increased to            2  itime      467149 
+ acceleration/energy drift too large   8.74732146055990     
+   31.5804584081043       split increased to            2  itime      467518 
   itsplit           1
 Momenta zeroed out, time            93599.80
- acceleration/energy drift too large   4.15469050305192     
-   12.6969870538928       split increased to            2  itime      468090 
-  itsplit           1
- acceleration/energy drift too large   7.43134181994042     
-   40.7226586473115       split increased to            2  itime      468499 
-  itsplit           1
 Momenta zeroed out, time            93799.80
- acceleration/energy drift too large   2.98354314811639     
-   13.4993998385950       split increased to            2  itime      469097 
+ acceleration/energy drift too large   9.51869050866457     
+   41.5206957282756       split increased to            2  itime      469412 
   itsplit           1
- acceleration/energy drift too large   3.73125861395739     
-   11.1022845621880       split increased to            2  itime      469180 
+ acceleration/energy drift too large   5.65566713073357     
+   15.5314339263458       split increased to            2  itime      469473 
   itsplit           1
- acceleration/energy drift too large   4.87117848839057     
-   15.5419981446994       split increased to            2  itime      469608 
+Velocities reset to random values, time            93999.80
+Momenta zeroed out, time            93999.80
+ acceleration/energy drift too large   3.51091610143949     
+   22.9610184599320       split increased to            2  itime      470017 
   itsplit           1
- acceleration/energy drift too large   6.14569540434854     
-   22.1069618422411       split increased to            2  itime      469850 
+ acceleration/energy drift too large   5.55243853946903     
+   11.1152715775640       split increased to            2  itime      470333 
   itsplit           1
- acceleration/energy drift too large   4.97368999333186     
-   15.6423130120948       split increased to            2  itime      469901 
+ acceleration/energy drift too large   5.75674140856255     
+   25.9462003075052       split increased to            2  itime      470645 
   itsplit           1
-Velocities reset to random values, time            93999.80
-Momenta zeroed out, time            93999.80
- acceleration/energy drift too large   4.46578040442935     
-   24.6317221833104       split increased to            2  itime      470605 
+ acceleration/energy drift too large   4.52372577082054     
+   17.2552104493701       split increased to            2  itime      470855 
   itsplit           1
 Momenta zeroed out, time            94199.80
- acceleration/energy drift too large   5.47995188297892     
-   15.4024042934071       split increased to            2  itime      471536 
+ acceleration/energy drift too large   6.66384442503842     
+   15.1750299412961       split increased to            2  itime      471019 
+  itsplit           1
+ acceleration/energy drift too large   2.84338619679942     
+   15.2305906970247       split increased to            2  itime      471597 
   itsplit           1
- acceleration/energy drift too large   10.2195938567676     
-   48.8455151549176       split increased to            2  itime      471799 
+ acceleration/energy drift too large   2.87160962736766     
+   21.9516799416402       split increased to            2  itime      471709 
+  itsplit           1
+ acceleration/energy drift too large   5.09155440082012     
+   11.8192925081279       split increased to            2  itime      471998 
   itsplit           1
 Momenta zeroed out, time            94399.80
+ acceleration/energy drift too large   7.07923406124154     
+   23.3531928882730       split increased to            2  itime      472245 
+  itsplit           1
 Momenta zeroed out, time            94599.80
- acceleration/energy drift too large   4.58784091806211     
-   16.2306453211895       split increased to            2  itime      473092 
+ acceleration/energy drift too large   7.89091517255986     
+   30.0547435620261       split increased to            2  itime      473352 
   itsplit           1
 Momenta zeroed out, time            94799.80
- acceleration/energy drift too large   5.26532055673115     
-   19.2097865779920       split increased to            2  itime      474208 
-  itsplit           1
- acceleration/energy drift too large   3.71286090031406     
-   10.2518038852390       split increased to            2  itime      474521 
-  itsplit           1
-Momenta zeroed out, time            94999.80
- acceleration/energy drift too large   4.01897591746811     
-   10.3210969342032       split increased to            2  itime      475547 
+ acceleration/energy drift too large   11.2535294732322     
+   58.3860330783701       split increased to            2  itime      474433 
   itsplit           1
+ acceleration/energy drift too large   3.94101843878742     
+   24.8869822581496       split increased to            2  itime      4745 acceleration/energy driftMomenta zeroed out, time            94999.80
 Momenta zeroed out, time            95199.80
- acceleration/energy drift too large   4.37940704100838     
-   11.2040223202648       split increased to            2  itime      476160 
-  itsplit           1
- acceleration/energy drift too large   2.11384308740218     
-   10.4354063097705       split increased to            2  itime      476607 
+ acceleration/energy drift too large   9.05175605153991     
+   35.5092065036405       split increased to            2  itime      476634 
   itsplit           1
 Momenta zeroed out, time            95399.80
+ acceleration/energy drift too large   6.23232935572960     
+   28.7676330256969       split increased to            2  itime      477447 
+  itsplit           1
 Momenta zeroed out, time            95599.80
+ acceleration/energy drift too large   3.08699949165551     
+   24.6847109851930       split increased to            2  itime      478031 
+  itsplit           1
+ acceleration/energy drift too large   3.11620909354908     
+   17.6406318803059       split increased to            2  itime      478458 
+  itsplit           1
+ acceleration/energy drift too large   6.45799603709006     
+   38.1902075938982       split increased to            2  itime      478717 
+  itsplit           1
 Momenta zeroed out, time            95799.80
 Velocities reset to random values, time            95999.80
 Momenta zeroed out, time            95999.80
- acceleration/energy drift too large   13.9853040397294     
-   77.7959087210837       split increased to            2  itime      480941 
+ acceleration/energy drift too large   5.29496488628549     
+   17.8977881735526       split increased to            2  itime      480480 
   itsplit           1
 Momenta zeroed out, time            96199.80
 Momenta zeroed out, time            96399.80
+ acceleration/energy drift too large   3.59906090570011     
+   11.1034253525812       split increased to            2  itime      482577 
+  itsplit           1
+ acceleration/energy drift too large   3.52510611172127     
+   14.0718857951339       split increased to            2  itime      482669 
+  itsplit           1
+ acceleration/energy drift too large   8.30634811938867     
+   30.3372687962582       split increased to            2  itime      482738 
+  itsplit           1
+ acceleration/energy drift too large   3.69783772918648     
+   15.5617738581267       split increased to            2  itime      482785 
+  itsplit           1
+ acceleration/energy drift too large   5.21127331085194     
+   10.9415503193085       split increased to            2  itime      482811 
+  itsplit           1
+ acceleration/energy drift too large   6.06190689996587     
+   39.0450561546952       split increased to            2  itime      482850 
+  itsplit           1
+ acceleration/energy drift too large   3.37577673445748     
+   12.3253672928237       split increased to            2  itime      482851 
+  itsplit           1
 Momenta zeroed out, time            96599.80
- acceleration/energy drift too large   5.40526211867445     
-   14.0684634217558       split increased to            2  itime      483639 
+ acceleration/energy drift too large   3.70935686791517     
+   13.8775951636675       split increased to            2  itime      483401 
+  itsplit           1
+ acceleration/energy drift too large   5.51177174586732     
+   24.7813828952745       split increased to            2  itime      483402 
   itsplit           1
 Momenta zeroed out, time            96799.80
- acceleration/energy drift too large   7.84869279802770     
-   30.8492368661965       split increased to            2  itime      484619 
+ acceleration/energy drift too large   5.34338421013114     
+   19.0944675200135       split increased to            2  itime      484608 
+  itsplit           1
+ acceleration/energy drift too large   5.63639746204523     
+   20.7575688591106       split increased to            2  itime      484719 
   itsplit           1
 Momenta zeroed out, time            96999.80
- acceleration/energy drift too large   5.13774759489846     
-   14.2223891481671       split increased to            2  itime      485320 
+ acceleration/energy drift too large   15.6729295924762     
+   93.2900365959797       split increased to            2  itime      485679 
   itsplit           1
 Momenta zeroed out, time            97199.80
- acceleration/energy drift too large   3.21074140330888     
-   11.1733643808051       split increased to            2  itime      486741 
-  itsplit           1
- acceleration/energy drift too large   5.88580067999393     
-   23.9089885443976       split increased to            2  itime      486848 
+ acceleration/energy drift too large   3.58862051567911     
+   13.2604739868030       split increased to            2  itime      486127 
   itsplit           1
 Momenta zeroed out, time            97399.80
- acceleration/energy drift too large   2.83962590934121     
-   10.4403467806146       split increased to            2  itime      487569 
-  itsplit           1
 Momenta zeroed out, time            97599.80
- acceleration/energy drift too large   4.06538241705305     
-   13.9408599582967       split increased to            2  itime      488294 
-  itsplit           1
- acceleration/energy drift too large   4.86682816040666     
-   14.7016185388744       split increased to            2  itime      488648 
+ acceleration/energy drift too large   8.17440212478781     
+   32.0751782983619       split increased to            2  itime      488568 
   itsplit           1
 Momenta zeroed out, time            97799.80
- acceleration/energy drift too large   5.09986820694110     
-   18.5343260463850       split increased to            2  itime      489343 
+ acceleration/energy drift too large   4.54404717413585     
+   12.0019331298786       split increased to            2  itime      489182 
   itsplit           1
- acceleration/energy drift too large   5.85713426644619     
-   18.6702425227854       split increased to            2  itime      489696 
+ acceleration/energy drift too large   7.37788916892184     
+   23.1331817113526       split increased to            2  itime      489565 
   itsplit           1
 Velocities reset to random values, time            97999.80
 Momenta zeroed out, time            97999.80
-Momenta zeroed out, time            98199.80
- acceleration/energy drift too large   5.60683733753025     
-   26.5319094188317       split increased to            2  itime      491496 
-  itsplit           1
- acceleration/energy drift too large   4.68017494647080     
-   13.9188232956194       split increased to            2  itime      491810 
-  itsplit           1
-Momenta zeroed out, time            98399.80
- acceleration/energy drift too large   4.63987583387886     
-   12.0354028293577       split increased to            2  itime      492210 
-  itsplit           1
- acceleration/energy drift too large   3.86920579648661     
-   10.6826158564534       split increased to            2  itime      492217 
+ acceleration/energy drift too large Momenta zeroed out, time            97199.80
+ acceleration/energy drift too large   3.80833452649683     
+   17.060448504891Momenta zeroed out, time            98199.80
+ acceleration/energy drift too large   4.37924595117538     
+   11.2824034381005   acceleration/energy drift too large   4.68347643310661     
+   10.278144312588Momenta zeroed out, time            98399.80
+ acceleration/energy drift too large   3.86341005747906     
+   13.0851235117952       split increased to            2  itime      492422 
   itsplit           1
 Momenta zeroed out, time            98599.80
- acceleration/energy drift too large   2.81873392538152     
-   13.8766616219774       split increased to            2  itime      493519 
+ acceleration/energy drift too large  acceleration/energy drift too large   4.41449163302264     
+   17.6741052824601       split increased to            2  itim acceleration/energy drift too large   3.26787466098764     
+   14.1939787650954       split increased to            2  itime      493906 
   itsplit           1
 Momenta zeroed out, time            98799.80
- acceleration/energy drift too large   5.64676812879095     
-   20.5440497258046       split increased to            2  itime      494848 
+ acceleration/energy drift too large   4.89479663554821     
+   27.5629134841786       split increased to            2  itime      494239 
   itsplit           1
 Momenta zeroed out, time            98999.80
- acceleration/energy drift too large   5.81772301829559     
-   17.2335756267208       split increased to            2  itime      495384 
-  itsplit           1
- acceleration/energy drift too large   5.64976645784230     
-   22.7679263238182       split increased to            2  itime      495457 
-  itsplit           1
 Momenta zeroed out, time            99199.80
- acceleration/energy drift too large   8.26109151028105     
-   47.2887795489068       split increased to            2  itime      496683 
+ acceleration/energy drift too large   4.21223895058400     
+   11.4844946488717       split increased to            2  itime      496845 
   itsplit           1
- acceleration/energy drift too large   2.63999049271314     
-   18.9150991288727       split increased to            2  itime      496684 
-  itsplit           1
- acceleration/energy drift too large   12.7660063096117     
-   48.9736929084984       split increased to            2  itime      496750 
+ acceleration/energy drift too large   9.77781963273950     
+   52.9517042773531       split increased to            2  itime      496931 
   itsplit           1
+ acceleration/energy drift too large   2.55225320954309     
+   14.2171711171845       split increased to            4  itime      496931 
+  itsplit           2
 Momenta zeroed out, time            99399.80
- acceleration/energy drift too large   5.58796675828939     
-   21.8943276201706       split increased to            2  itime      497225 
-  itsplit           1
- acceleration/energy drift too large   1.98651021563319     
-   11.9579683456458       split increased to            2  itime      497353 
-  itsplit           1
- acceleration/energy drift too large   2.55407295433762     
-   10.4127006561306       split increased to            2  itime      497424 
-  itsplit           1
-Momenta zeroed out, time            99599.80
- acceleration/energy drift too large   6.35772444573949     
-   14.5720205607200       split increased to            2  itime      498192 
-  itsplit           1
- acceleration/energy drift too large   20.1785766908841     
-   115.509048938988       split increased to            2  itime      498880 
-  itsplit           1
- acceleration/energy drift too large   3.69019306037987     
-   26.9872171865151       split increased to            4  itime      498880 
-  itsplit           1
- acceleration/energy drift too large   4.20619392997293     
-   17.8596405694713       split increased to            2  itime      498980 
-  itsplit           1
-Momenta zeroed out, time            99799.80
- acceleration/energy drift too large   2.65917118164671     
-   11.6861642446801       split increased to            2  itime      499986 
-  itsplit           1
-Velocities reset to random values, time            99999.80
-Momenta zeroed out, time            99999.80
- acceleration/energy drift too large   9.99531922588680     
-   45.4369694884912       split increased to            2  itime      500014 
+ acceleration/energy drift too large   5.44895176973794     
+   17.5001713081338       split incrMomenta zeroed out, time            98599.80
+ acceleration/energy drift too large   8.21393945010247     
+   28.8021339698199       split increased to            2  itime      493534 
   itsplit           1
- acceleration/energy drift too large   8.86304055575505     
-   39.4244507598445       split increased to            2  itime      500149 
-  itsplit           1
- acceleration/energy drift too large   7.23040918909751     
-   22.0303353383455       split increased to            2  itime      500378 
-  itsplit           1
- acceleration/energy drift too large   3.49254912522073     
-   12.5519207200343       split increased to            2  itime      500532 
-  itsplit           1
-Momenta zeroed out, time           100199.80
- acceleration/energy drift too large   9.79148701004414     
-   49.7003678044077       split increased to            2  itime      501779 
-  itsplit           1
-Momenta zeroed out, time           100399.80
- acceleration/energy drift too large   4.83706234252432     
-   13.1956697113176       split increased to            2  itime      502341 
-  itsplit           1
- acceleration/energy drift too large   7.24210726363853     
-   24.8378441343496       split increased to            2  itime      502511 
-  itsplit           1
- acceleration/energy drift too large   2.40819937794744     
-   11.4449555183634       split increased to            2  itime      502823 
-  itsplit           1
-Momenta zeroed out, time           100599.80
- acceleration/energy drift too large   10.6958513397406     
-   39.9512194015824       split increased to            2  itime      503241 
-  itsplit           1
- acceleration/energy drift too large   4.15145330822529     
-   19.7467740178180       split increased to            2  itime      503750 
+ acceleration/energy drift too large   2.10012758598755     
+    acceleration/energy drift too large   3.12690419788605     
+   10.640692148129Momenta zeroed out, time           100599.80
+ acceleration/energy drift too large   7.11939472078302     
+   18.5890188752611       split increased to            2  itime      503112 
   itsplit           1
 Momenta zeroed out, time           100799.80
- acceleration/energy drift too large   2.89025297727965     
-   18.5004704471681       split increased to            2  itime      504125 
-  itsplit           1
 Momenta zeroed out, time           100999.80
- acceleration/energy drift too large   5.91896979704564     
-   23.3474672781604       split increased to            2  itime      505562 
-  itsplit           1
- acceleration/energy drift too large   6.77215666361797     
-   19.4011640748407       split increased to            2  itime      505593 
-  itsplit           1
- acceleration/energy drift too large   7.96908548284668     
-   25.3178006461093       split increased to            2  itime      505829 
-  itsplit           1
- acceleration/energy drift too large   3.26932532458161     
-   11.0397671794015       split increased to            2  itime      505830 
-  itsplit           1
 Momenta zeroed out, time           101199.80
- acceleration/energy drift too large   2.70312885014624     
-   10.4998906501265       split increased to            2  itime      506780 
+ acceleration/energy drift too large   12.3518237241317     
+   81.1457918607690       split increased to            2  itime      506580 
   itsplit           1
- acceleration/energy drift too large   7.00698470805133     
-   22.3561458235298       split increased to            2  itime      506940 
+ acceleration/energy drift too large   9.27196571892138     
+   38.8534368550997       split increased to            2  itime      506666 
   itsplit           1
 Momenta zeroed out, time           101399.80
- acceleration/energy drift too large   3.11786004472313     
-   12.2355571257490       split increased to            2  itime      507909 
+ acceleration/energy drift too large   13.7774186011262     
+   71.6149537238783       split increased to            2  itime      507717 
   itsplit           1
 Momenta zeroed out, time           101599.80
- acceleration/energy drift too large   4.17676402171325     
-   16.7529372687812       split increased to            2  itime      508845 
+ acceleration/energy drift too large   5.76792108313149     
+   13.7309929756292       split increased to            2  itime      508256 
   itsplit           1
-Momenta zeroed out, time           101799.80
- acceleration/energy drift too large   4.18747254724833     
-   20.1670939640520       split increased to            2  itime      509264 
+ acceleration/energy drift too large   4.01969416261374     
+   20.6561910576805       split increased to            2  itime      508354 
   itsplit           1
- acceleration/energy drift too large   11.2682565092142     
-   56.5990286069582       split increased to            2  itime      509302 
+ acceleration/energy drift too large   18.1708594818708     
+   138.604200302330       split increased to            2  itime      508932 
   itsplit           1
- acceleration/energy drift too large   2.94141234758231     
-   17.6725474418562       split increased to            2  itime      509899 
+Momenta zeroed out, time           101799.80
+ acceleration/energy drift too large   8.08841453959326     
+   23.9673019967618       split increased to            2  itime      509330 
   itsplit           1
 Velocities reset to random values, time           101999.80
 Momenta zeroed out, time           101999.80
- acceleration/energy drift too large   6.72305599276979     
-   17.7021865989132       split increased to            2  itime      510524 
+ acceleration/energy drift too large   3.11034394645501     
+   10.9037411331727       split increased to            2  itime      510649 
+  itsplit           1
+ acceleration/energy drift too large   4.00036865999927     
+   11.1804696909100       split increased to            2  itime      510848 
+  itsplit           1
+ acceleration/energy drift too large   6.07380861429265     
+   acceleration/energy drift too large   5.08230216368710     
+   12.5335002620163       split increased to            2  itime      502630 
+  it acceleration/energy drift too large   9.14370695066975     
+   acceleration/energy drift too large   5.97939186857112     
+   33.5518510789925       split increMomenta zeroed out, time           102399.80
+Momenta zeroed out, time           102599.80
+ acceleration/energy drift too large   4.24154101870621     
+  Momenta zeroed out, time           101199.80
+Momenta zeroed out, time           101399.80
+ acceleration/energy drift too large   4.69402179366166     
+   13.7507899135010       split increased to            2  itime      507194 
   itsplit           1
- acceleration/energy drift too large   4.17182484740964     
-   10.5212432337963       split increased to            2  itime      510840 
+ acceleration/energy drift too large   7.64542964769066     
+   20.5266066912493       split increased to            2  itime      507713 
+  it acceleration/energy drift too large   6.65327813746381     
+  Momenta zeroed out, time           101799.80
+ acceleration/energy drift too large   3.26297687899676     
+   20.3872643430207       split incre acceleration/energy drift too large   3.75408322436524     
+   12.8663623744096       split increased to            2  itime      517865 
   itsplit           1
- acceleration/energy drift too large   3.35003010023536     
-   14.5624560183416       split increased to            2  itime      510908 
+Momenta zeroed out, time           103599.80
+ acceleration/energy drift too large   5.90324712487481     
+   12.7784143506697       split increased to            2  itime      518214 
   itsplit           1
- acceleration/energy drift too large   12.2076448358681     
-   60.9661960167266       split increased to            2  itime      510982 
+Momenta zeroed out, time           103799.80
+ acceleration/energy drift too large   5.23071730427427     
+   17.9469461622064       split increased to            2  itime      519103 
   itsplit           1
-Momenta zeroed out, time           102199.80
- acceleration/energy drift too large   4.62365807956200     
-   14.4163873654969       split increased to            2  itime      511120 
+ acceleration/energy drift too large   9.87128756131310     
+   42.1441553449938       split increased to            2  itime      519354 
   itsplit           1
- acceleration/energy drift too large   8.01278155917498     
-   24.2373220728565       split increased to            2  itime      511786 
+ acceleration/energy drift too large  3.701352426640853E-002
+   21.5798209586364       split increased to            2  itime      519355 
   itsplit           1
-Momenta zeroed out, time           102399.80
- acceleration/energy drift too large   9.96490567482072     
-   39.1215084584855       split increased to            2  itime      512780 
+ acceleration/energy drift too large   4.21499408417194     
+   12.7345923235734       split increased to            2  itime      519499 
   itsplit           1
-Momenta zeroed out, time           102599.80
- acceleration/energy drift too large   6.81452871633177     
-   24.5274378496215       split increased to            2  itime      513449 
+ acceleration/energy drift too large   4.38760983998008     
+   11.0006052183513       split increased to            2  itime      519986 
   itsplit           1
- acceleration/energy drift too large   5.45210271810105     
-   13.6243731656485       split increased to            2  itime      513609 
+Velocities reset to random values, time           103999.80
+Momenta zeroed out, time           103999.80
+ acceleration/energy drift too large   5.84225661425206     
+   18.5687126132216       split increased to            2  itime      520804 
   itsplit           1
-Momenta zeroed out, time           102799.80
- acceleration/energy drift too large   4.38218751875014     
-   12.0582488484982       split increased to            2  itime      514119 
+Momenta zeroed out, time           104199.80
+ acceleration/energy drift too large   6.74447664085273     
+   17.9642895425918       split increased to            2  itime      521184 
   itsplit           1
- acceleration/energy drift too large   16.0807881535977     
-   95.6200151983456       split increased to            2  itime      514950 
+Momenta zeroed out, time           104399.80
+Momenta zeroed out, time           104599.80
+Momenta zeroed out, time           104799.80
+ acceleration/energy drift too large   10.8094084489977     
+   55.7126170291461       split increased to            2  itime      524831 
   itsplit           1
- acceleration/energy drift too large   3.49723469194291     
-   18.1287033028309       split increased to            4  itime      514950 
-  itsplit           2
-Momenta zeroed out, time           102999.80
-Momenta zeroed out, time           103199.80
- acceleration/energy drift too large   4.75463762915030     
-   16.9748682713934       split increased to            2  itime      516411 
+ acceleration/energy drift too large   2.86496547150655     
+   12.2541216205177       split increased to            2  itime      524984 
   itsplit           1
- acceleration/energy drift too large   7.58956427895563     
-   25.9108612580030       split increased to            2  itime      516469 
+Momenta zeroed out, time           104999.80
+ acceleration/energy drift too large   9.83242748803115     
+   46.6679183423471       split increased to            2  itime      525473 
   itsplit           1
- acceleration/energy drift too large   3.36444535947225     
-   24.8250442410195       split increased to            2  itime      516840 
+ acceleration/energy drift too large   3.03378285901003     
+   15.1881141514831       split increased to            2  itime      525880 
   itsplit           1
-Momenta zeroed out, time           103399.80
- acceleration/energy drift too large   6.34488143527431     
-   11.6330252263059       split increased to            2  itime      517477 
+Momenta zeroed out, time           105199.80
+ acceleration/energy drift too large   3.73605094927410     
+   13.3010798596552       split increased to            2  itime      526286 
   itsplit           1
- acceleration/energy drift too large   14.1727493439174     
-   93.8009690462991       split increased to            2  itime      517478 
+ acceleration/energy drift too large   2.82648327698444     
+   10.0058095491521       split increased to            2  itime      526287 
   itsplit           1
-Momenta zeroed out, time           103599.80
- acceleration/energy drift too large   2.87247973824468     
-   10.5190073483884       split increased to            2  itime      518074 
+ acceleration/energy drift too large   3.85171975640603     
+   10.0826666678229       split increased to            2  itime      526870 
   itsplit           1
- acceleration/energy drift too large   1.93192177955945     
-   12.0436220047644       split increased to            2  itime      518258 
+Momenta zeroed out, time           105399.80
+ acceleration/energy drift too large   2.02301759265931     
+   10.0281719761631       split increased to            2  itime      527071 
   itsplit           1
- acceleration/energy drift too large   3.22558779167596     
-   11.7782648968528       split increased to            2  itime      518375 
+ acceleration/energy drift too large   4.76424703773375     
+   21.6842623420199       split increased to            2  itime      527602 
   itsplit           1
-Momenta zeroed out, time           103799.80
- acceleration/energy drift too large   3.04061677129470     
-   10.6407827768752       split increased to            2  itime      519054 
+Momenta zeroed out, time           105599.80
+ acceleration/energy drift too large   2.43059659545447     
+   12.2267156179079       split increased to            2  itime      528314 
   itsplit           1
-Velocities reset to random values, time           103999.80
-Momenta zeroed out, time           103999.80
- acceleration/energy drift too large   6.51596647003745     
-   19.6868324140257       split increased to            2  itime      520088 
+Momenta zeroed out, time           105799.80
+Velocities reset to random values, time           105999.80
+Momenta zeroed out, time           105999.80
+ acceleration/energy drift too large   4.49005645735004     
+   15.8314622425298       split increased to            2  itime      530032 
   itsplit           1
- acceleration/energy drift too large   3.18088335214228     
-   20.5463541475387       split increased to            2  itime      520879 
+ acceleration/energy drift too large   3.57645674682210     
+   14.5179995126487       split increased to            2  itime      530033 
   itsplit           1
-Momenta zeroed out, time           104199.80
-Momenta zeroed out, time           104399.80
- acceleration/energy drift too large   6.61629352358989     
-   27.9584004809303       split increased to            2  itime      522331 
+ acceleration/energy drift too large   5.41655160747185     
+   18.6803250086792       split increased to            2  itime      530087 
   itsplit           1
- acceleration/energy drift too large   3.16696745222463     
-   21.0853369111104       split increased to            2  itime      522849 
+ acceleration/energy drift too large   5.26677485909477     
+   16.9179148177077       split increased to            2  itime      530125 
   itsplit           1
-Momenta zeroed out, time           104599.80
- acceleration/energy drift too large   4.14106194840839     
-   18.0202020038051       split increased to            2  itime      523253 
+ acceleration/energy drift too large   2.12050175194832     
+   13.4847356425982       split increased to            2  itime      530126 
   itsplit           1
- acceleration/energy drift too large   6.21494437967860     
-   28.1274524236233       split increased to            2  itime      523768 
+ acceleration/energy drift too large   8.57863248036355     
+   37.3569217118879       split increased to            2  itime      530411 
   itsplit           1
-Momenta zeroed out, time           104799.80
-Momenta zeroed out, time           104999.80
- acceleration/energy drift too large   3.89125660775778     
-   19.4242432916982       split increased to            2  itime      525181 
+Momenta zeroed out, time           106199.80
+ acceleration/energy drift too large   11.2548572060488     
+   52.6903401167270       split increased to            2  itime      531190 
   itsplit           1
- acceleration/energy drift too large   4.87121541202432     
-   13.7073997477343       split increased to            2  itime      525776 
+ acceleration/ener acceleration/energy drift too large   8.39061954346852     
+   19.0286259722713       split increased to            2  itime      522866 
   itsplit           1
+Momenta zeroed out, time           104599.80
+ acceleration/energy drift too large   2.66853782796211     
+   10.7106678425823       split increased to            2  itime      523243 
+  itsplit           1
+ acceleration/energy drift too large   3.80034717434810     
+   11.2792435030507       split increased to            2  itime      523279 
+  it acceleration/ener acceleration/energy drift too large   5.90812148712333     
+   33.9805344856432       split increased to            2  itime      523745 
+  itMomenta zeroed out, time           106599.80
+ acceleration/ener acceleration/energy drift too large   3.87599467676535     
+   16.7606237923268       split increased to            2  itime      524191 
+  it acceleration/ener acceleration/energy drift too large   3.96689818143568     
+   18.6613979609162       split increased to            2  itime      524810 
+  itsplit           1
+Momenta zeroed out, time           104999.80
 Momenta zeroed out, time           105199.80
- acceleration/energy drift too large   3.03672198761503     
-   10.3252797564581       split increased to            2  itime      526572 
+ acceleration/energy drift too large   6.13282137933563     
+   20.9233814962130       split increased to            2  itime      526677 
   itsplit           1
 Momenta zeroed out, time           105399.80
- acceleration/energy drift too large   4.87387974601489     
-   13.2282572659732       split increased to            2  itime      527076 
-  itsplit           1
- acceleration/energy drift too large   4.31559442324959     
-   14.3183198656322       split increased to            2  itime      527158 
+ acceleration/energy drift too large   4.86420585775833     
+   14.1951211647963       split increased to            2  itime      527417 
   itsplit           1
- acceleration/energy drift too large   4.64413839090952     
-   26.6017085205133       split increased to            2  itime      527454 
+ acceleration/energy drift too large   4.86585800751011     
+   19.4403451995501       split increased to            2  itime      527805 
   itsplit           1
- acceleration/energy drift too large   3.82367152692751     
-   17.1459793934625       split increased to            2  itime      527494 
+ acceleration/energy drift too large   6.64658727784192     
+   27.3140345571073       split increased to            2  itime      527880 
   itsplit           1
 Momenta zeroed out, time           105599.80
-Momenta zeroed out, time           105799.80
- acceleration/energy drift too large   6.39885300516050     
-   23.1887126521485       split increased to            2  itime      529260 
-  itsplit           1
- acceleration/energy drift too large   5.74226957554540     
-   22.3285873712704       split increased to            2  itime      529503 
+ acceleration/energy drift too large   4.47847031228983     
+   10.0212768177605       split increased to            2  itime      528736 
   itsplit           1
- acceleration/energy drift too large   4.50764706500478     
-   20.8338444565355       split increased to            2  itime      529667 
+Momenta zeroed out, time           105799.80
+ acceleration/energy drift too large   8.68770879108523     
+   44.5253329354233       split increased to            2  itime      529473 
   itsplit           1
- acceleration/energy drift too large   11.2930976273274     
-   37.2894028489536       split increased to            2  itime      529904 
+ acceleration/energy drift too large   5.14513385177279     
+   10.6846438847362       split increased to            2  itime      529820 
   itsplit           1
 Velocities reset to random values, time           105999.80
 Momenta zeroed out, time           105999.80
- acceleration/energy drift too large   7.52470830821227     
-   16.6032682822642       split increased to            2  itime      530773 
-  itsplit           1
 Momenta zeroed out, time           106199.80
- acceleration/energy drift too large   5.78391634434472     
-   13.0240527246705       split increased to            2  itime      531407 
+ acceleration/energy drift too large   3.47682392012187     
+   15.4760144332567       split increased to            2  itime      531008 
   itsplit           1
- acceleration/energy drift too large   1.54846594578774     
-   10.7386035002047       split increased to            2  itime      531992 
+ acceleration/energy drift too large   4.75251246140915     
+   12.2578261066726       split increased to            2  itime      531012 
+  itsplit           1
+ acceleration/energy drift too large   4.62068042254338     
+   24.8959506293120       split increased to            2  itime      531015 
+  itsplit           1
+ acceleration/energy drift too large   10.7923786958641     
+   55.9841929956806       split increased to            2  itime      531369 
   itsplit           1
 Momenta zeroed out, time           106399.80
+ acceleration/energy drift too large   6.41608846398218     
+   20.5668120217791       split increased to            2  itime      532742 
+  itsplit           1
 Momenta zeroed out, time           106599.80
 Momenta zeroed out, time           106799.80
- acceleration/energy drift too large   5.68394835926665     
-   21.7232381648696       split increased to            2  itime      534357 
-  itsplit           1
 Momenta zeroed out, time           106999.80
- acceleration/energy drift too large   10.0100505250094     
-   41.9235576024478       split increased to            2  itime      535715 
-  itsplit           1
- acceleration/energy drift too large   3.60432668963139     
-   10.8283847050959       split increased to            2  itime      535758 
+ acceleration/energy drift too large   8.76973730038998     
+   41.0411179744551       split increased to            2  itime      535427 
   itsplit           1
 Momenta zeroed out, time           107199.80
- acceleration/energy drift too large   3.12925962513004     
-   14.7918296233445       split increased to            2  itime      536251 
+ acceleration/energy drift too large   7.79506148088977     
+   29.4194306248452       split increased to            2  itime      536481 
   itsplit           1
- acceleration/energy drift too large   3.18967831943169     
-   15.8157770881375       split increased to            2  itime      536343 
+ acceleration/energy drift too large   3.42118408459224     
+   12.3791860378879       split increased to            2  itime      536601 
   itsplit           1
 Momenta zeroed out, time           107399.80
 Momenta zeroed out, time           107599.80
- acceleration/energy drift too large   9.22761074075609     
-   33.2897013678353       split increased to            2  itime      538499 
+ acceleration/energy drift too large   5.45369948940040     
+   22.8580235192025       split increased to            2  itime      538102 
   itsplit           1
 Momenta zeroed out, time           107799.80
- acceleration/energy drift too large   3.79830308716007     
-   11.5765317546417       split increased to            2  itime      539503 
-  itsplit           1
-Velocities reset to random values, time           107999.80
-Momenta zeroed out, time           107999.80
- acceleration/energy drift too large   6.35761257249823     
-   14.8110620239287       split increased to            2  itime      540106 
+ acceleration/energy drift too large   7.33423060239779     
+   22.4309770210694       split increased to            2  itime      539027 
   itsplit           1
- acceleration/energy drift too large   10.0579774848074     
-   44.0166687165861       split increased to            2  itime      540208 
+ acceleration/energy drift too large   3.03441724235133     
+   11.7280341654196       split increased to            2  itime      539060 
   itsplit           1
- acceleration/energy drift too large   4.17535610581482     
-   14.6041726933315       split increased to            2  itime      540279 
+ acceleration/energy drift too large   4.68461992250663     
+   13.0114712589354       split increased to            2  itime      539205 
   itsplit           1
- acceleration/energy drift too large   3.32408450681114     
-   15.6289175765424       split increased to            2  itime      540280 
+ acceleration/energy drift too large   24.2259026792729     
+   610.085912654363       split increased to            2  itime      539555 
   itsplit           1
- acceleration/energy drift too large   4.27688214951490     
-   28.2410355789903       split increased to            2  itime      540767 
+Velocities reset to random values, time           107999.80
+Momenta zeroed out, time           107999.80
+ acceleration/energy drift too large   3.88984190176520     
+   27.4760678950656       split increased to            2  itime      540783 
   itsplit           1
 Momenta zeroed out, time           108199.80
- acceleration/energy drift too large   2.39033468846837     
-   12.3314110549900       split increased to            2  itime      541348 
-  itsplit           1
-Momenta zeroed out, time           108399.80
- acceleration/energy drift too large   2.96223252991253     
-   10.3730711485847       split increased to            2  itime      542608 
+ acceleration/energy drift too large   1.87192093461121     
+   12.5862200538629       split increased to            2  itime      541288 
   itsplit           1
- acceleration/energy drift too large   2.14529043135796     
-   10.0312415217895       split increased to            2  itime      542682 
+ acceleration/energy drift too large   2.11189306149692     
+   10.4494819307239       split increased to            2  itime      541989 
   itsplit           1
+Momenta zeroed out, time           108399.80
 Momenta zeroed out, time           108599.80
- acceleration/energy drift too large   9.26726829811002     
-   46.2032949433847       split increased to            2  itime      543495 
-  itsplit           1
- acceleration/energy drift too large   4.53123412561782     
-   11.5368541024289       split increased to            2  itime      543947 
+ acceleration/energy drift too large   9.46682813014332     
+   44.3940064984762       split increased to            2  itime      543823 
   itsplit           1
 Momenta zeroed out, time           108799.80
- acceleration/energy drift too large   5.55240039124165     
-   10.8109020743723       split increased to            2  itime      544163 
-  itsplit           1
- acceleration/energy drift too large   5.05250243154563     
-   24.9075846233108       split increased to            2  itime      544604 
+ acceleration/energy drift too large   6.54987265577913     
+   19.3304151859576       split increased to            2  itime      544527 
   itsplit           1
 Momenta zeroed out, time           108999.80
- acceleration/energy drift too large   4.81250194593498     
-   27.2033855450602       split increased to            2  itime      545014 
-  itsplit           1
- acceleration/energy drift too large   2.79192906348583     
-   11.8450555847670       split increased to            2  itime      545447 
-  itsplit           1
- acceleration/energy drift too large   2.74971333458793     
-   12.3849233098120       split increased to            2  itime      545812 
-  itsplit           1
-Momenta zeroed out, time           109199.80
- acceleration/energy drift too large   2.03140447990950     
-   10.8111508279451       split increased to            2  itime      546569 
-  itsplit           1
- acceleration/energy drift too large   5.77878694131694     
-   11.7217619618542       split increased to            2  itime      546938 
-  itsplit           1
-Momenta zeroed out, time           109399.80
-Momenta zeroed out, time           109599.80
- acceleration/energy drift too large   4.96975442416796     
-   22.6290011782098       split increased to            2  itime      548339 
-  itsplit           1
- acceleration/energy drift too large   3.86801296728848     
-   12.2267611328532       split increased to            2  itime      548401 
-  itsplit           1
-Momenta zeroed out, time           109799.80
- acceleration/energy drift too large   3.70496879636869     
-   13.6246398866208       split increased to            2  itime      549103 
-  itsplit           1
- acceleration/energy drift too large   8.91619372055959     
-   47.8493335130642       split increased to            2  itime      549428 
-  itsplit           1
-Velocities reset to random values, time           109999.80
-Momenta zeroed out, time           109999.80
- acceleration/energy drift too large   3.06985299087557     
-   12.7143612593450       split increased to            2  itime      550550 
-  itsplit           1
-Momenta zeroed out, time           110199.80
- acceleration/energy drift too large   3.18858913444629     
-   12.4486279519974       split increased to            2  itime      551491 
-  itsplit           1
- acceleration/energy drift too large   2.03354743185514     
-   10.4738982911256       split increased to            2  itime      551784 
-  itsplit           1
- acceleration/energy drift too large   7.32783116822346     
-   24.0269880075626       split increased to            2  itime      551816 
-  itsplit           1
-Momenta zeroed out, time           110399.80
- acceleration/energy drift too large   5.45541051863624     
-   12.6421014129169       split increased to            2  itime      552626 
+ acceleration/energy drift too large   15.6575660881996     
+   95.2921814478439       split increased to            2  itime      545144 
   itsplit           1
- acceleration/energy drift too large   10.1868116821929     
-   64.3715821339630       split increased to            2  itime      552774 
+ acceleration/energy drift too large   3.99430292720159     
+   25.3085817934079       split increased to            4  itimMomenta zeroed out, time           11Momenta  acceleration/energy drift too large   2.51324547991598     
+   17.2700456965571       split increased to            2  itime      551973 
   itsplit           1
-Momenta zeroed out, time           110599.80
- acceleration/energy drift too large   3.51535291622981     
-   12.7353671667807       split increased to            2  itime      553178 
+Momenta zeroed out, time           11 acceler acceleration/energy drift too large   5.63649233221752     
+   18.6410089810384       split increased to            2  itime      552201 
+  itsplit     Momenta  acceleration/energy drift too large  acceleration/energy drift too large   5.04109201344321     
+   30.5060347279183       split increased to            2  itimMomenta zeroed out, time           11Momenta  acceleration/energy drift too large  acceleration/energy drift too large   2.45893168099359     
+   14.3798303244983       split increased to            2  itimMomenta zeroed out, time           11 acceleration/energy drift too large   5.31115091176402     
+   11.7726833625876       split increased to            2  itime      548711 
   itsplit           1
- acceleration/energy drift too large   4.61385289965352     
-   19.9140581773868       split increased to            2  itime      553238 
+ accelerMomenta zeroed out, time           110999.80
+ acceleration/energy drift too large   2.57402755466436     
+   17.4314584716538       split increased to            2  itime      555351 
   itsplit           1
- acceleration/energy drift too large   6.27783280715848     
-   13.4980693397691       split increased to            2  itime      553858 
+ acceleration/energy drift too large   3.23221616036909     
+   24.9010834693475       split increased to            2  itime      555934 
   itsplit           1
-Momenta zeroed out, time           110799.80
-Momenta zeroed out, time           110999.80
 Momenta zeroed out, time           111199.80
-Momenta zeroed out, time           111399.80
- acceleration/energy drift too large   4.57979187752633     
-   13.3030270869015       split increased to            2  itime      557249 
+ acceleration/energy drift too large   2.14206914504128     
+   11.6239187580091       split increased to            2  itime      556728 
   itsplit           1
+Momenta zeroed out, time           111399.80
 Momenta zeroed out, time           111599.80
 Momenta zeroed out, time           111799.80
- acceleration/energy drift too large   12.0044365959246     
-   53.8982878359875       split increased to            2  itime      559540 
+ acceleration/energy drift too large   1.98886009193754     
+   11.3475411067833       split increased to            2  itime      559011 
   itsplit           1
 Velocities reset to random values, time           111999.80
 Momenta zeroed out, time           111999.80
- acceleration/energy drift too large   4.42959589025863     
-   16.2252568203842       split increased to            2  itime      560239 
+ acceleration/energy drift too large   3.63500869949849     
+   14.1232259292291       split increased to            2  itime      560243 
   itsplit           1
- acceleration/energy drift too large   2.81314199114810     
-   12.7849323515334       split increased to            2  itime      560481 
+ acceleration/energy drift too large   6.43282206040936     
+   13.8568298228791       split increased to            2  itime      560865 
   itsplit           1
 Momenta zeroed out, time           112199.80
- acceleration/energy drift too large   4.81256815288299     
-   18.1690731878327       split increased to            2  itime      561557 
-  itsplit           1
- acceleration/energy drift too large   5.49583222785532     
-   15.2242767103298       split increased to            2  itime      561662 
-  itsplit           1
 Momenta zeroed out, time           112399.80
- acceleration/energy drift too large   6.15311126867427     
-   37.5571062243923       split increased to            2  itime      562187 
-  itsplit           1
 Momenta zeroed out, time           112599.80
 Momenta zeroed out, time           112799.80
 Momenta zeroed out, time           112999.80
- acceleration/energy drift too large   4.89619077752270     
-   11.0289644426829       split increased to            2  itime      565256 
-  itsplit           1
- acceleration/energy drift too large   13.0625928129521     
-   57.9715933479719       split increased to            2  itime      565825 
-  itsplit           1
- acceleration/energy drift too large   6.10436049834962     
-   45.5481978090387       split increased to            2  itime      565879 
+ acceleration/energy drift too large   4.39524277841289     
+   12.5840893690268       split increased to            2  itime      565491 
   itsplit           1
 Momenta zeroed out, time           113199.80
-Momenta zeroed out, time           113399.80
- acceleration/energy drift too large   10.6217964539595     
-   54.7873152236986       split increased to            2  itime      567255 
+ acceleration/energy drift too large   6.31487331050762     
+   12.7062700937370       split increased to            2  itime      566290 
   itsplit           1
- acceleration/energy drift too large   2.60703497060850     
-   13.3541791635681       split increased to            4  itime      567255 
-  itsplit           2
- acceleration/energy drift too large   4.89703184299120     
-   17.7726431748511       split increased to            2  itime      567648 
+Momenta zeroed out, time           113399.80
+Momenta zeroed out, time           113599.80
+ acceleration/energy drift too large   5.14766541498045     
+   11.8903668986891       split increased to            2  itime      568251 
   itsplit           1
- acceleration/energy drift too large   8.40367571869578     
-   31.1829106804003       split increased to            2  itime      567938 
+ acceleration/energy drift too large   2.45405131937820     
+   11.2385082055819       split increased to            2  itime      568411 
   itsplit           1
-Momenta zeroed out, time           113599.80
 Momenta zeroed out, time           113799.80
- acceleration/energy drift too large   5.34138770914041     
-   16.0938001002574       split increased to            2  itime      569651 
-  itsplit           1
 Velocities reset to random values, time           113999.80
 Momenta zeroed out, time           113999.80
-Momenta zeroed out, time           114199.80
- acceleration/energy drift too large   6.54234542564097     
-   13.0240499490900       split increased to            2  itime      571400 
-  itsplit           1
- acceleration/energy drift too large   6.71702379835233     
-   15.7524611550088       split increased to            2  itime      571551 
-  itsplit           1
- acceleration/energy drift too large   11.9978657402491     
-   58.0107919834440       split increased to            2  itime      571668 
-  itsplit           1
- acceleration/energy drift too large   3.35348744721824     
-   21.2100028503955       split increased to            4  itime      571668 
+ acceleration/energy drift too large   2.79381687953396     
+   13.8624234189247       split increased to            2  itime      570341 
   itsplit           1
+Momenta zeroed out, time           114199.80
 Momenta zeroed out, time           114399.80
- acceleration/energy drift too large   9.26049898166339     
-   40.8498027936077       split increased to            2  itime      572448 
-  itsplit           1
 Momenta zeroed out, time           114599.80
- acceleration/energy drift too large   12.8214819386136     
-   70.8279066893393       split increased to            2  itime      573695 
+ acceleration/energy drift too large   1.40631749153562     
+   10.4717044672477       split increased to            2  itime      573918 
   itsplit           1
-Momenta zeroed out, time           114799.80
- acceleration/energy drift too large   4.62826737399179     
-   12.2587646201830       split increased to            2  itime      574123 
+ acceleration/energy drift too large   4.97090730614936     
+   22.8752877664356       split increased to            2  itime      573951 
   itsplit           1
+Momenta zeroed out, time           114799.80
 Momenta zeroed out, time           114999.80
- acceleration/energy drift too large   5.52642991776402     
-   33.4910446875655       split increased to            2  itime      575953 
-  itsplit           1
-Momenta zeroed out, time           115199.80
- acceleration/energy drift too large   7.67296783398434     
-   80.0451358308016       split increased to            2  itime      576055 
-  itsplit           1
- acceleration/energy drift too large   10.1882559004742     
-   51.0402423234138       split increased to            2  itime      576249 
+ acceleration/energy drift too large   1.30383972323666     
+   11.5470124635355       split increased to            2  itime      575606 
   itsplit           1
- acceleration/energy drift too large   9.46150808256168     
-   26.9540888891458       split increased to            2  itime      576250 
+ acceleration/energy drift too large   4.17975664469924     
+   17.3198883329676       split increased to            2  itime      575893 
   itsplit           1
- acceleration/energy drift too large   9.47191180631981     
-   31.5099796206197       split increased to            2  itime      576435 
+Momenta zeroed out, time           115199.80
+ acceleration/energy drift too large   5.02737605445143     
+   19.6508569616703       split increased to            2  itime      576257 
   itsplit           1
 Momenta zeroed out, time           115399.80
- acceleration/energy drift too large   10.6063632760500     
-   55.0694079881509       split increased to            2  itime      577478 
-  itsplit           1
- acceleration/energy drift too large   2.74000476862960     
-   14.3956395769559       split increased to            2  itime      577881 
+ acceleration/energy drift too large   5.30083546083044     
+   17.3794176927144       split increased to            2  itime      577883 
   itsplit           1
 Momenta zeroed out, time           115599.80
- acceleration/energy drift too large   4.73315316057677     
-   23.2033180643368       split increased to            2  itime      578994 
-  itsplit           1
-Momenta zeroed out, time           115799.80
- acceleration/energy drift too large   4.74690434713925     
-   25.0961389174122       split increased to            2  itime      579024 
+ acceleration/energy drift too large   5.46087774393167     
+   19.0925361245753       split increased to            2  itime      578668 
   itsplit           1
- acceleration/energy drift too large   9.43291471925846     
-   36.8970555281891       split increased to            2  itime      579202 
-  itsplit           1
- acceleration/energy drift too large   5.52177552195370     
-   20.5105228587849       split increased to            2  itime      579431 
+ acceleration/energy drift too large   6.69893623901274     
+   23.6105605828379       split increased to            2  itime      578969 
   itsplit           1
+Momenta zeroed out, time           115799.80
 Velocities reset to random values, time           115999.80
 Momenta zeroed out, time           115999.80
+ acceleration/energy drift too large   3.57125620877988     
+   13.6371525532738       split increased to            2  itime      580777 
+  itsplit           1
 Momenta zeroed out, time           116199.80
+ acceleration/energy drift too large   6.74556551168496     
+   32.2307809575986       split increased to            2  itime      581041 
+  itsplit           1
+ acceleration/energy drift too large   8.80532629268883     
+   38.5135168744765       split increased to            2  itime      581215 
+  itsplit           1
 Momenta zeroed out, time           116399.80
- acceleration/energy drift too large   4.71043100451394     
-   18.6106832042501       split increased to            2  itime      582151 
+ acceleration/energy drift too large   4.11002450172774     
+   16.3157447811897       split increased to            2  itime      582178 
   itsplit           1
- acceleration/energy drift too large   8.36434942682759     
-   11.4991623796403       split increased to            2  itime      582531 
+ acceleration/energy drift too large   3.13131839684855     
+   10.9983401467833       split increased to            2  itime      582887 
   itsplit           1
 Momenta zeroed out, time           116599.80
+ acceleration/energy drift too large   8.71542297080424     
+   20.5341941112565       split increased to            2  itime      583149 
+  itsplit           1
 Momenta zeroed out, time           116799.80
- acceleration/energy drift too large   5.62702211977659     
-   29.6593527573708       split increased to            2  itime      584529 
+ acceleration/energy drift too large   5.26012286210831     
+   12.1879027339296       split increased to            2  itime      584144 
   itsplit           1
 Momenta zeroed out, time           116999.80
- acceleration/energy drift too large   4.31219001292136     
-   11.4585651295697       split increased to            2  itime      585216 
+ acceleration/energy drift too large   5.30970544340690     
+   20.4683702922713       split increased to            2  itime      585135 
+  itsplit           1
+ acceleration/energy drift too large   3.62079111725124     
+   14.9900911594842       split increased to            2  itime      585239 
+  itsplit           1
+ acceleration/energy drift too large   4.20349483131248     
+   11.7144184334316       split increased to            2  itime      585959 
   itsplit           1
 Momenta zeroed out, time           117199.80
+ acceleration/energy drift too large   4.55821301953698     
+   18.6456247757657       split increased to            2  itime      586525 
+  itsplit           1
+ acceleration/energy drift too large   2.49983778693208     
+   10.2814382204642       split increased to            2  itime      586541 
+  itsplit           1
 Momenta zeroed out, time           117399.80
- acceleration/energy drift too large   2.81059122223703     
-   15.3100901354431       split increased to            2  itime      587067 
+ acceleration/energy drift too large   3.61461183135832     
+   11.9679444646062       split increased to            2  itime      587494 
   itsplit           1
- acceleration/energy drift too large   3.71824148951705     
-   13.6142396625640       split increased to            2  itime      587399 
+ acceleration/energy drift too large   2.91832210169171     
+   10.9840944282786       split increased to            2  itime      587724 
   itsplit           1
-Momenta zeroed out, time           117599.80
- acceleration/energy drift too large   4.61933568564484     
-   20.7540362158643       split increased to            2  itime      588153 
+ acceleration/energy drift too large   6.78918252263850     
+   32.8621788672922       split increased to            2  itime      587763 
   itsplit           1
- acceleration/energy drift too large   5.27289782065392     
-   13.8720535460386       split increased to            2  itime      588989 
+Momenta zeroed out, time           117599.80
+ acceleration/energy drift too large   6.34589143832567     
+   10.7624771202187       split increased to            2  itime      588543 
   itsplit           1
 Momenta zeroed out, time           117799.80
- acceleration/energy drift too large   4.45588900937046     
-   14.4497834007093       split increased to            2  itime      589095 
+ acceleration/energy drift too large   4.80026671212742     
+   19.6802929459114       split increased to            2  itime      589489 
   itsplit           1
- acceleration/energy drift too large   5.81823139126607     
-   13.2851000194328       split increased to            2  itime      589730 
-  itsplit           1
- acceleration/energy drift too large   7.55231271701450     
-   19.5721343075093       split increased to            2  itime      589775 
+ acceleration/energy drift too large   10.6198961609760     
+   57.5321785906938       split increased to            2  itime      589724 
   itsplit           1
 Velocities reset to random values, time           117999.80
 Momenta zeroed out, time           117999.80
- acceleration/energy drift too large   11.0943855984769     
-   65.9646227407425       split increased to            2  itime      590156 
+ acceleration/energy drift too large   5.35438977143922     
+   17.1195521357744       split increased to            2  itime      590182 
   itsplit           1
- acceleration/energy drift too large   3.43422177021875     
-   10.4985479683936       split increased to            2  itime      590237 
+ acceleration/energy drift too large   6.29612258962241     
+   38.8357027678129       split increased to            2  itime      590250 
   itsplit           1
- acceleration/energy drift too large   4.24235045223918     
-   11.8755617165715       split increased to            2  itime      590780 
+ acceleration/energy drift too large   4.72307768787505     
+   14.8317292905968       split increased to            2  itime      590396 
   itsplit           1
- acceleration/energy drift too large   3.96882040549326     
-   11.3830133700279       split increased to            2  itime      590852 
+ acceleration/energy drift too large   7.21344800067968     
+   12.9983069801491       split increased to            2  itime      590910 
   itsplit           1
 Momenta zeroed out, time           118199.80
- acceleration/energy drift too large   2.48139049060116     
-   12.0255540389820       split increased to            2  itime      591942 
+ acceleration/energy drift too large   5.15835552869233     
+   18.0241272624673       split increased to            2  itime      591214 
   itsplit           1
 Momenta zeroed out, time           118399.80
- acceleration/energy drift too large   5.09384819309565     
-   15.0453564959984       split increased to            2  itime      592042 
+ acceleration/energy drift too large   4.80284146410654     
+   26.2449550219386       split increased to            2  itime      592581 
   itsplit           1
- acceleration/energy drift too large   5.24933689006821     
-   33.3914374106147       split increased to            2  itime      592399 
+Momenta zeroed out, time           118599.80
+ acceleration/energy drift too large   11.0226390862934     
+   50.9564163345448       split increased to            2  itime      593511 
   itsplit           1
- acceleration/energy drift too large   3.24228410851154     
-   11.8532285082636       split increased to            2  itime      592400 
+ acceleration/energy drift too large   6.19312253188721     
+   10.2679700444185       split increased to            2  itime      593524 
   itsplit           1
-Momenta zeroed out, time           118599.80
- acceleration/energy drift too large   8.55078332961366     
-   31.9221422565190       split increased to            2  itime      593282 
+ acceleration/energy drift too large   8.10926592395518     
+   32.2819496174072       split increased to            2  itime      593948 
   itsplit           1
 Momenta zeroed out, time           118799.80
- acceleration/energy drift too large   6.96349574816310     
-   12.9248633487191       split increased to            2  itime      594393 
-  itsplit           1
 Momenta zeroed out, time           118999.80
- acceleration/energy drift too large   7.61334751619146     
-   13.3307287143266       split increased to            2  itime      595118 
+ acceleration/energy drift too large   3.01171278412596     
+   10.2161990771320       split increased to            2  itime      595700 
   itsplit           1
- acceleration/energy drift too large   5.35604377651601     
-   29.4222182274160       split increased to            2  itime      595753 
+ acceleration/energy drift too large   3.99942572157702     
+   19.1216782490548       split increased to            2  itime      595850 
   itsplit           1
 Momenta zeroed out, time           119199.80
- acceleration/energy drift too large   4.43362590286771     
-   13.0093471391956       split increased to            2  itime      596632 
+ acceleration/energy drift too large   3.21408630808636     
+   12.7908379421921       split increased to            2  itime      596121 
   itsplit           1
- acceleration/energy drift too large   5.00653623033554     
-   23.2994267014928       split increased to            2  itime      596833 
-  itsplit           1
- acceleration/energy drift too large   6.93668219531639     
-   26.1799379024133       split increased to            2  itime      596972 
+ acceleration/energy drift too large   6.20803013957699     
+   17.2468289354954       split increased to            2  itime      596578 
   itsplit           1
 Momenta zeroed out, time           119399.80
- acceleration/energy drift too large   2.85866305259417     
-   10.7852814537247       split increased to            2  itime      597242 
-  itsplit           1
- acceleration/energy drift too large   5.46798430441412     
-   24.0290871782557       split increased to            2  itime      597252 
+ acceleration/energy drift too large   2.38085056253264     
+   12.7480237174450       split increased to            2  itime      597939 
   itsplit           1
- acceleration/energy drift too large   5.36352944601157     
-   28.2791564863276       split increased to            2  itime      597261 
+Momenta zeroed out, time           119599.80
+ acceleration/energy drift too large   4.97250981776971     
+   30.9301005304408       split increased to            2  itime      598352 
   itsplit           1
- acceleration/energy drift too large   4.47178196269295     
-   10.9752175892414       split increased to            2  itime      597795 
-  itsplit           1
-Momenta zeroed out, time           119599.80
-Momenta zeroed out, time           119799.80
- acceleration/energy drift too large   9.67723357630315     
-   42.8926725286138       split increased to            2  itime      599277 
+Momenta zeroed out, time           119799.80
+ acceleration/energy drift too large   3.99839854195712     
+   12.1780960716937       split increased to            2  itime      599342 
   itsplit           1
 Velocities reset to random values, time           119999.80
 Momenta zeroed out, time           119999.80
- acceleration/energy drift too large   2.55319959036860     
-   13.5338841933186       split increased to            2  itime      600970 
+ acceleration/energy drift too large   5.86370448802359     
+   23.1884884321886       split increased to            2  itime      600469 
+  itsplit           1
+ acceleration/energy drift too large   4.75514766748765     
+   11.2672358776899       split increased to            2  itime      600608 
   itsplit           1
 Momenta zeroed out, time           120199.80
-Momenta zeroed out, time           120399.80
- acceleration/energy drift too large   5.53101981721584     
-   14.1637920154519       split increased to            2  itime      602673 
+ acceleration/energy drift too large   2.46455993147282     
+   17.6092854295387       split increased to            2  itime      601310 
   itsplit           1
+Momenta zeroed out, time           120399.80
 Momenta zeroed out, time           120599.80
- acceleration/energy drift too large   3.17509843991875     
-   10.8937257901329       split increased to            2  itime      603849 
+ acceleration/energy drift too large   5.27689546344027     
+   12.6062072695512       split increased to            2  itime      603839 
   itsplit           1
 Momenta zeroed out, time           120799.80
- acceleration/energy drift too large   6.97537741892771     
-   22.5430539881985       split increased to            2  itime      604080 
-  itsplit           1
- acceleration/energy drift too large   3.85523330785681     
-   17.0613758645194       split increased to            2  itime      604237 
-  itsplit           1
- acceleration/energy drift too large   3.33851117495161     
-   12.6034438046191       split increased to            2  itime      604325 
-  itsplit           1
- acceleration/energy drift too large   5.24015612273026     
-   24.4812893208184       split increased to            2  itime      604611 
-  itsplit           1
- acceleration/energy drift too large   4.37280072611699     
-   20.7081997040893       split increased to            2  itime      604718 
-  itsplit           1
- acceleration/energy drift too large   9.54843582191015     
-   21.6420952275812       split increased to            2  itime      604815 
-  itsplit           1
 Momenta zeroed out, time           120999.80
+ acceleration/energy drift too large   2.61628232642499     
+   16.3618431127428       split increased to            2  itime      605112 
+  itsplit           1
 Momenta zeroed out, time           121199.80
 Momenta zeroed out, time           121399.80
+ acceleration/energy drift too large   5.00217095748346     
+   10.4844691767066       split increased to            2  itime      607262 
+  itsplit           1
+ acceleration/energy drift too large   3.41781776785821     
+   12.0529380256594       split increased to            2  itime      607831 
+  itsplit           1
 Momenta zeroed out, time           121599.80
- acceleration/energy drift too large   3.08244381952080     
-   13.2442480014255       split increased to            2  itime      608657 
+ acceleration/energy drift too large   4.49768616475294     
+   13.9026863749868       split increased to            2  itime      608487 
   itsplit           1
 Momenta zeroed out, time           121799.80
+ acceleration/energy drift too large   2.24940726681638     
+   12.0223028106202       split increased to            2  itime      609276 
+  itsplit           1
 Velocities reset to random values, time           121999.80
 Momenta zeroed out, time           121999.80
- acceleration/energy drift too large   3.42174979375758     
-   15.4130505921482       split increased to            2  itime      610275 
+ acceleration/energy drift too large   6.26882463801744     
+   12.4598083857362       split increased to            2  itime      610112 
   itsplit           1
-Momenta zeroed out, time           122199.80
- acceleration/energy drift too large   4.04026738662091     
-   12.0518434382064       split increased to            2  itime      611218 
-  itsplit           1
- acceleration/energy drift too large   12.4308222981770     
-   64.1112529914160       split increased to            2  itime      611545 
+ acceleration/energy drift too large   3.43481980390817     
+   13.2037195313588       split increased to            2  itime      610228 
   itsplit           1
- acceleration/energy drift too large   16.3947070478668     
-   100.280089076228       split increased to            2  itime      611844 
+ acceleration/energy drift too large   2.57003849081433     
+   20.6929314962006       split increased to            2  itime      610631 
   itsplit           1
-Momenta zeroed out, time           122399.80
- acceleration/energy drift too large   5.75765159279321     
-   17.2194840652501       split increased to            2  itime      612053 
+ acceleration/energy drift too large   2.05834107692362     
+   10.6514787214706       split increased to            2  itime      610632 
   itsplit           1
-Momenta zeroed out, time           122599.80
-Momenta zeroed out, time           122799.80
-Momenta zeroed out, time           122999.80
- acceleration/energy drift too large   5.90989757554077     
-   16.0203744488247       split increased to            2  itime      615013 
+Momenta zeroed out, time           122199.80
+ acceleration/energy drift too large   10.7470171283423     
+   52.6534540874837       split increased to            2  itime      611266 
   itsplit           1
- acceleration/energy drift too large   6.24259444326937     
-   16.3843198523721       split increased to            2  itime      615072 
+ acceleration/energy drift too large   4.72273202822896     
+   11.9460184454401       split increased to            2  itime      611782 
   itsplit           1
- acceleration/energy drift too large   11.2157133566311     
-   45.1326222125551       split increased to            2  itime      615135 
+Momenta zeroed out, time           122399.80
+ acceleration/energy drift too large   3.48323085215413     
+   12.0442279013767       split increased to            2  itime      612619 
   itsplit           1
- acceleration/energy drift too large   2.97691662097284     
-   12.8048756495319       split increased to            2  itime      615180 
+ acceleration/energy drift too large   4.42894179189667     
+   21.3733484566308       split increased to            2  itime      612773 
   itsplit           1
- acceleration/energy drift too large   6.07575682898135     
-   22.2813625073401       split increased to            2  itime      615226 
+Momenta zeroed out, time           122599.80
+ acceleration/energy drift too large   3.42444414428232     
+   19.7412327776186       split increased to            2  itime      613067 
   itsplit           1
- acceleration/energy drift too large   5.14838362466169     
-   17.0290179992479       split increased to            2  itime      615996 
+ acceleration/energy drift too large   3.86423920014212     
+   11.8664711911754       split increased to            2  itime      613913 
   itsplit           1
+Momenta zeroed out, time           122799.80
+Momenta zeroed out, time           122999.80
 Momenta zeroed out, time           123199.80
- acceleration/energy drift too large   5.87718003311410     
-   16.2743855223778       split increased to            2  itime      616291 
-  itsplit           1
- acceleration/energy drift too large   4.86314537152911     
-   17.6267633635713       split increased to            2  itime      616336 
+ acceleration/energy drift too large   6.92103148761719     
+   22.7542191203222       split increased to            2  itime      616665 
   itsplit           1
- acceleration/energy drift too large   2.18646954983728     
-   12.1672974890250       split increased to            2  itime      616532 
+ acceleration/energy drift too large   7.41171525892355     
+   20.0206356257450       split increased to            2  itime      616666 
   itsplit           1
 Momenta zeroed out, time           123399.80
- acceleration/energy drift too large   2.99901785642159     
-   10.8232527878864       split increased to            2  itime      617061 
+ acceleration/energy drift too large   2.03463480197021     
+   10.3794434427288       split increased to            2  itime      617734 
   itsplit           1
 Momenta zeroed out, time           123599.80
- acceleration/energy drift too large   1.43670301242690     
-   14.6593529848084       split increased to            2  itime      618970 
+ acceleration/energy drift too large   2.37479846439219     
+   14.2605607596770       split increased to            2  itime      618130 
+  itsplit           1
+ acceleration/energy drift too large   3.38057675141404     
+   11.8462088314313       split increased to            2  itime      618142 
+  itsplit           1
+ acceleration/energy drift too large   4.36427033740038     
+   12.4305884303263       split increased to            2  itime      618574 
   itsplit           1
 Momenta zeroed out, time           123799.80
- acceleration/energy drift too large   12.1160431283961     
-   64.9816048402280       split increased to            2  itime      619097 
+ acceleration/energy drift too large   6.00607999442044     
+   15.1948458654753       split increased to            2  itime      619047 
   itsplit           1
- acceleration/energy drift too large   2.70352819349052     
-   13.9556543338458       split increased to            4  itime      619097 
-  itsplit           2
- acceleration/energy drift too large   3.83714786306194     
-   14.6049825096885       split increased to            2  itime      619607 
+ acceleration/energy drift too large   10.3813927314607     
+   50.5514814697850       split increased to            2  itime      619096 
   itsplit           1
 Velocities reset to random values, time           123999.80
 Momenta zeroed out, time           123999.80
- acceleration/energy drift too large   6.30051199201995     
-   22.4982770484083       split increased to            2  itime      620699 
+ acceleration/energy drift too large   6.35139458323776     
+   18.6945380709234       split increased to            2  itime      620028 
+  itsplit           1
+ acceleration/energy drift too large   6.64527072314151     
+   25.3352710090667       split increased to            2  itime      620977 
+  itsplit           1
+ acceleration/energy drift too large   1.60528565961902     
+   16.4622984375172       split increased to            2  itime      620978 
   itsplit           1
 Momenta zeroed out, time           124199.80
- acceleration/energy drift too large   3.58965897510962     
-   13.8284988574927       split increased to            2  itime      621343 
+ acceleration/energy drift too large   6.73905530870914     
+   14.1877679129226       split increased to            2  itime      621270 
   itsplit           1
 Momenta zeroed out, time           124399.80
- acceleration/energy drift too large   4.48131812656396     
-   27.0768214309885       split increased to            2  itime      622689 
+ acceleration/energy drift too large   7.66435407099499     
+   18.7476000490602       split increased to            2  itime      622435 
   itsplit           1
 Momenta zeroed out, time           124599.80
- acceleration/energy drift too large   12.4577969801276     
-   53.2746717648364       split increased to            2  itime      623221 
-  itsplit           1
- acceleration/energy drift too large   2.80623240820490     
-   11.9004244335076       split increased to            2  itime      623491 
-  itsplit           1
 Momenta zeroed out, time           124799.80
- acceleration/energy drift too large   3.67333630966199     
-   14.3635031218783       split increased to            2  itime      624853 
-  itsplit           1
- acceleration/energy drift too large   5.35742017290981     
-   11.5586669682465       split increased to            2  itime      624887 
+ acceleration/energy drift too large   4.87855403454355     
+   18.0117016505728       split increased to            2  itime      624706 
   itsplit           1
 Momenta zeroed out, time           124999.80
+ acceleration/energy drift too large   7.39044139226785     
+   19.0810929586076       split increased to            2  itime      625055 
+  itsplit           1
 Momenta zeroed out, time           125199.80
- acceleration/energy drift too large   10.5682796593994     
-   51.0102473066658       split increased to            2  itime      626817 
+ acceleration/energy drift too large   4.66990799547244     
+   29.5584199626868       split increased to            2  itime      626282 
   itsplit           1
-Momenta zeroed out, time           125399.80
- acceleration/energy drift too large   6.06568566098593     
-   15.1491871289085       split increased to            2  itime      627348 
+ acceleration/energy drift too large   5.05210384599723     
+   33.5002911226848       split increased to            2  itime      626475 
   itsplit           1
- acceleration/energy drift too large   3.08595442954515     
-   15.6741667978365       split increased to            2  itime      627723 
+Momenta zeroed out, time           125399.80
+ acceleration/energy drift too large   5.05989944433950     
+   25.7857002758780       split increased to            2  itime      627791 
   itsplit           1
 Momenta zeroed out, time           125599.80
- acceleration/energy drift too large   4.70740620700208     
-   16.8312703047373       split increased to            2  itime      628562 
+ acceleration/energy drift too large   3.20421555295922     
+   13.6442214776316       split increased to            2  itime      628501 
   itsplit           1
- acceleration/energy drift too large   2.79844159765134     
-   13.0822957111288       split increased to            2  itime      628895 
+ acceleration/energy drift too large   5.88612381411486     
+   37.3581129987017       split increased to            2  itime      628506 
   itsplit           1
-Momenta zeroed out, time           125799.80
-Velocities reset to random values, time           125999.80
-Momenta zeroed out, time           125999.80
- acceleration/energy drift too large   1.66008855228386     
-   10.4899234173671       split increased to            2  itime      630506 
+ acceleration/energy drift too large   8.33477883260486     
+   36.8802343504867       split increased to            2  itime      628736 
   itsplit           1
-Momenta zeroed out, time           126199.80
- acceleration/energy drift too large   3.83337698860432     
-   17.3007726082995       split increased to            2  itime      631275 
+ acceleration/energy drift too large   10.6915327562616     
+   45.7245156114675       split increased to            2  itime      628742 
   itsplit           1
-Momenta zeroed out, time           126399.80
- acceleration/energy drift too large   2.99802167410973     
-   13.4186871738893       split increased to            2  itime      632182 
+ acceleration/energy drift too large   5.00437822305499     
+   28.7908921772743       split increased to            2  itime      628982 
   itsplit           1
-Momenta zeroed out, time           126599.80
- acceleration/energy drift too large   4.48928298356976     
-   16.3369461101641       split increased to            2  itime      633390 
+Momenta zeroed out, time           125799.80
+ acceleration/energy drift too large   3.90847931131042     
+   24.2062539606322       split increased to            2  itime      629088 
   itsplit           1
- acceleration/energy drift too large   1.96461921475704     
-   15.7592485876672       split increased to            4  itime      633390 
+ acceleration/energy drift too large   10.5414479827345     
+   44.3989955459430       split increased to            2  itime      629783 
   itsplit           1
- acceleration/energy drift too large   5.38037820775619     
-   20.2978003290943       split increased to            2  itime      633443 
+ acceleration/energy drift too large   4.42946376695968     
+   11.7298800839169       split increased to            2  itime      629813 
   itsplit           1
- acceleration/energy drift too large   11.6558995568027     
-   61.6837856837054       split increased to            2  itime      633497 
+Velocities reset to random values, time           125999.80
+Momenta zeroed out, time           125999.80
+ acceleration/energy drift too large   9.04643809488930     
+   41.3462043516170       split increased to            2  itime      630423 
   itsplit           1
- acceleration/energy drift too large   5.80191219466815     
-   24.0686740817239       split increased to            2  itime      633524 
+ acceleration/energy drift too large   4.00696714690501     
+   19.9633353248940       split increased to            2  itime      630513 
   itsplit           1
-Momenta zeroed out, time           126799.80
- acceleration/energy drift too large   4.33505569024506     
-   10.1526570502528       split increased to            2  itime      634408 
+Momenta zeroed out, time           126199.80
+Momenta zeroed out, time           126399.80
+ acceleration/energy drift too large   2.78180210176873     
+   11.6952463793664       split increased to            2  itime      632169 
   itsplit           1
- acceleration/energy drift too large   4.74431851799125     
-   13.1836853918968       split increased to            2  itime      634481 
+ acceleration/energy drift too large   4.02669226650866     
+   19.9514170886385       split increased to            2  itime      632326 
   itsplit           1
- acceleration/energy drift too large   5.60158867098976     
-   14.3456100038163       split increased to            2  itime      634500 
+Momenta zeroed out, time           126599.80
+ acceleration/energy drift too large   5.03132953449219     
+   14.0675441949406       split increased to            2  itime      633766 
   itsplit           1
- acceleration/energy drift too large   6.56275112502737     
-   10.1492967680051       split increased to            2  itime      634781 
+Momenta zeroed out, time           126799.80
+ acceleration/energy drift too large   3.36073294394985     
+   12.9109180777976       split increased to            2  itime      634639 
   itsplit           1
 Momenta zeroed out, time           126999.80
- acceleration/energy drift too large   5.24350004565879     
-   34.5657524242251       split increased to            2  itime      635245 
-  itsplit           1
- acceleration/energy drift too large   4.65528722065077     
-   19.6386351512683       split increased to            2  itime      635340 
-  itsplit           1
- acceleration/energy drift too large   2.94766003392461     
-   11.3434112201336       split increased to            2  itime      635663 
-  itsplit           1
- acceleration/energy drift too large   5.76488750699726     
-   31.5714810264383       split increased to            2  itime      635798 
-  itsplit           1
- acceleration/energy drift too large   4.37037360647351     
-   23.1074608248840       split increased to            2  itime      635930 
+ acceleration/energy drift too large   9.65736635425493     
+   40.9466700916602       split increased to            2  itime      635126 
   itsplit           1
 Momenta zeroed out, time           127199.80
- acceleration/energy drift too large   4.88183827157634     
-   22.7278452702785       split increased to            2  itime      636622 
-  itsplit           1
- acceleration/energy drift too large   5.51014079459150     
-   12.4047918057497       split increased to            2  itime      636812 
+ acceleration/energy drift too large   4.49938276987788     
+   15.3326672368519       split increased to            2  itime      636205 
   itsplit           1
- acceleration/energy drift too large   6.45182506049493     
-   11.4756750485969       split increased to            2  itime      636889 
+ acceleration/energy drift too large   4.10829750458153     
+   19.3308994292260       split increased to            2  itime      636271 
   itsplit           1
-Momenta zeroed out, time           127399.80
-Momenta zeroed out, time           127599.80
- acceleration/energy drift too large   3.35231441332128     
-   28.1317449924926       split increased to            2  itime      638000 
+ acceleration/energy drift too large   4.60636737393140     
+   30.8218652112270       split increased to            2  itime      636882 
   itsplit           1
- acceleration/energy drift too large   4.51899125271851     
-   13.1695090927789       split increased to            2  itime      638068 
+ acceleration/energy drift too large   4.43350706897838     
+   10.2734760102748       split increased to            2  itime      636991 
   itsplit           1
- acceleration/energy drift too large   3.19346210533244     
-   26.5272994102786       split increased to            2  itime      638107 
+Momenta zeroed out, time           127399.80
+ acceleration/energy drift too large   8.60762222465875     
+   46.0555198801952       split increased to            2  itime      637357 
   itsplit           1
- acceleration/energy drift too large   5.69505002351715     
-   20.1468518254394       split increased to            2  itime      638503 
+ acceleration/energy drift too large   7.76431351484382     
+   19.7882812705057       split increased to            2  itime      637627 
   itsplit           1
+Momenta zeroed out, time           127599.80
 Momenta zeroed out, time           127799.80
- acceleration/energy drift too large   6.27144013492486     
-   14.4299537068817       split increased to            2  itime      639821 
+ acceleration/energy drift too large   1.72996113080604     
+   11.0759922204512       split increased to            2  itime      639355 
+  itsplit           1
+ acceleration/energy drift too large   7.50766105397860     
+   30.0249136387207       split increased to            2  itime      639508 
   itsplit           1
 Velocities reset to random values, time           127999.80
 Momenta zeroed out, time           127999.80
- acceleration/energy drift too large   4.61870676169527     
-   10.0519925374292       split increased to            2  itime      640455 
-  itsplit           1
-Momenta zeroed out, time           128199.80
- acceleration/energy drift too large   4.84391726639270     
-   16.3753180693188       split increased to            2  itime      641884 
+ acceleration/energy drift too large   3.22169672665138     
+   11.5524803932730       split increased to            2  itime      640109 
   itsplit           1
-Momenta zeroed out, time           128399.80
- acceleration/energy drift too large   2.82476074009516     
-   14.0243518738152       split increased to            2  itime      642460 
+ acceleration/energy drift too large   5.11030071155101     
+   18.1094777494068       split increased to            2  itime      640596 
   itsplit           1
-Momenta zeroed out, time           128599.80
- acceleration/energy drift too large   4.74124557456133     
-   20.4658263047770       split increased to            2  itime      643006 
+ acceleration/energy drift too large   5.81002533344894     
+   35.0012124158206       split increased to            2  itime      640836 
   itsplit           1
- acceleration/energy drift too large   4.13779425514188     
-   12.5530933319248       split increased to            2  itime      643037 
+Momenta zeroed out, time           128199.80
+ acceleration/energy drift too large   3.67315714286810     
+   15.3128133285353       split increased to            2  itime      641133 
   itsplit           1
- acceleration/energy drift too large   3.23897062285962     
-   11.9637849795267       split increased to            2  itime      643038 
+ acceleration/energy drift too large   3.45174310057534     
+   10.5822535722128       split increased to            2  itime      641621 
   itsplit           1
- acceleration/energy drift too large   4.61285105685145     
-   11.3283448027501       split increased to            2  itime      643294 
+ acceleration/energy drift too large   5.31324322373781     
+   21.0148208135034       split increased to            2  itime      641746 
   itsplit           1
+Momenta zeroed out, time           128399.80
+Momenta zeroed out, time           128599.80
 Momenta zeroed out, time           128799.80
- acceleration/energy drift too large   8.25661612962660     
-   28.0273641229060       split increased to            2  itime      644781 
+ acceleration/energy drift too large   7.19405324136191     
+   28.1453868074548       split increased to            2  itime      644430 
   itsplit           1
 Momenta zeroed out, time           128999.80
- acceleration/energy drift too large   4.44998676298372     
-   15.8891750449373       split increased to            2  itime      645563 
+ acceleration/energy drift too large   4.12083073810677     
+   10.4127479701935       split increased to            2  itime      645023 
   itsplit           1
 Momenta zeroed out, time           129199.80
- acceleration/energy drift too large   4.67081737574927     
-   10.1425371499505       split increased to            2  itime      646524 
+ acceleration/energy drift too large   4.45537145051002     
+   20.5368388333927       split increased to            2  itime      646058 
   itsplit           1
 Momenta zeroed out, time           129399.80
- acceleration/energy drift too large   4.58053192385453     
-   20.4394203407305       split increased to            2  itime      647466 
-  itsplit           1
 Momenta zeroed out, time           129599.80
+ acceleration/energy drift too large   2.36187939708718     
+   13.7514543634240       split increased to            2  itime      648169 
+  itsplit           1
+ acceleration/energy drift too large   6.44728172804840     
+   19.3111209034101       split increased to            2  itime      648585 
+  itsplit           1
 Momenta zeroed out, time           129799.80
- acceleration/energy drift too large   11.0844082398401     
-   59.7658547204791       split increased to            2  itime      649016 
+ acceleration/energy drift too large   2.84681989285104     
+   10.9075779409978       split increased to            2  itime      649038 
+  itsplit           1
+ acceleration/energy drift too large   4.80268292415210     
+   36.7275893185279       split increased to            2  itime      649581 
   itsplit           1
- acceleration/energy drift too large   8.10208482892385     
-   24.1332293349203       split increased to            2  itime      649415 
+ acceleration/energy drift too large   6.30400467665295     
+   20.9895220949862       split increased to            2  itime      649617 
   itsplit           1
- acceleration/energy drift too large   7.91688123601666     
-   21.8437970221871       split increased to            2  itime      649785 
+ acceleration/energy drift too large   5.19858025735430     
+   27.2531195593092       split increased to            2  itime      649657 
   itsplit           1
 Velocities reset to random values, time           129999.80
 Momenta zeroed out, time           129999.80
+ acceleration/energy drift too large   2.34922138461827     
+   13.7771004394230       split increased to            2  itime      650242 
+  itsplit           1
+ acceleration/energy drift too large   12.4879942091830     
+   67.5629643712719       split increased to            2  itime      650248 
+  itsplit           1
+ acceleration/energy drift too large   3.05328192148402     
+   12.4120108340143       split increased to            2  itime      650640 
+  itsplit           1
 Momenta zeroed out, time           130199.80
 Momenta zeroed out, time           130399.80
- acceleration/energy drift too large   2.09082791673943     
-   17.1218522378159       split increased to            2  itime      652376 
+ acceleration/energy drift too large   11.1432231797629     
+   54.8779047152921       split increased to            2  itime      652130 
   itsplit           1
- acceleration/energy drift too large   5.17040182038361     
-   11.5975120882738       split increased to            2  itime      652661 
+ acceleration/energy drift too large   2.20891891362132     
+   10.4632370574981       split increased to            2  itime      652764 
   itsplit           1
 Momenta zeroed out, time           130599.80
- acceleration/energy drift too large   6.54013033560011     
-   27.9088834824816       split increased to            2  itime      653060 
-  itsplit           1
- acceleration/energy drift too large   4.06918343068700     
-   18.8666234004882       split increased to            2  itime      653570 
-  itsplit           1
- acceleration/energy drift too large   6.39173254983741     
-   42.8857999975083       split increased to            2  itime      653780 
+ acceleration/energy drift too large   3.04354869440130     
+   16.0783022019758       split increased to            2  itime      653211 
   itsplit           1
 Momenta zeroed out, time           130799.80
-Momenta zeroed out, time           130999.80
- acceleration/energy drift too large   16.6755285302889     
-   110.811945212404       split increased to            2  itime      655507 
-  itsplit           1
- acceleration/energy drift too large   7.37395822107507     
-   17.8887146527283       split increased to            2  itime      655831 
+ acceleration/energy drift too large   4.98477865338736     
+   11.5555809144355       split increased to            2  itime      654561 
   itsplit           1
+Momenta zeroed out, time           130999.80
 Momenta zeroed out, time           131199.80
- acceleration/energy drift too large   4.93565625724194     
-   19.2508878521922       split increased to            2  itime      656313 
-  itsplit           1
- acceleration/energy drift too large   6.40727669062909     
-   21.2161160995280       split increased to            2  itime      656949 
-  itsplit           1
 Momenta zeroed out, time           131399.80
- acceleration/energy drift too large   2.79289123883141     
-   13.8820319958428       split increased to            2  itime      657523 
-  itsplit           1
- acceleration/energy drift too large   4.23570318298973     
-   21.2031195606365       split increased to            2  itime      657728 
+ acceleration/energy drift too large   4.97160336374913     
+   29.5898876574298       split increased to            2  itime      657826 
   itsplit           1
 Momenta zeroed out, time           131599.80
-Momenta zeroed out, time           131799.80
- acceleration/energy drift too large   3.88295922571278     
-   16.8716896218017       split increased to            2  itime      659174 
+ acceleration/energy drift too large   10.2170598225179     
+   76.8556248175367       split increased to            2  itime      658717 
   itsplit           1
- acceleration/energy drift too large   3.85960687403784     
-   21.6600235005263       split increased to            2  itime      659261 
-  itsplit           1
- acceleration/energy drift too large   4.65265453661198     
-   12.6612360285632       split increased to            2  itime      659720 
+ acceleration/energy drift too large   4.54591316998910     
+   20.6880786667465       split increased to            2  itime      658903 
   itsplit           1
+Momenta zeroed out, time           131799.80
 Velocities reset to random values, time           131999.80
 Momenta zeroed out, time           131999.80
-Momenta zeroed out, time           132199.80
- acceleration/energy drift too large   2.96277211748853     
-   10.5861347338201       split increased to            2  itime      661463 
-  itsplit           1
- acceleration/energy drift too large   2.66013739860379     
-   10.1732042193918       split increased to            2  itime      661469 
-  itsplit           1
- acceleration/energy drift too large   2.52584326452371     
-   10.9266846001859       split increased to            2  itime      661481 
-  itsplit           1
- acceleration/energy drift too large   3.01794048290045     
-   10.0642869461094       split increased to            2  itime      661483 
-  itsplit           1
- acceleration/energy drift too large   1.21680172909544     
-   15.5127122524001       split increased to            2  itime      661487 
-  itsplit           1
- acceleration/energy drift too large   3.36607302978986     
-   21.2880498447745       split increased to            2  itime      661488 
-  itsplit           1
- acceleration/energy drift too large   2.42057704806505     
-   10.8707116123726       split increased to            2  itime      661490 
-  itsplit           1
- acceleration/energy drift too large   2.98360863138777     
-   10.6630874755513       split increased to            2  itime      661616 
-  itsplit           1
- acceleration/energy drift too large   3.24898843397342     
-   10.0833624534817       split increased to            2  itime      661666 
+ acceleration/energy drift too large   6.07166890899379     
+   22.3548866628202       split increased to            2  itime      660374 
   itsplit           1
+Momenta zeroed out, time           132199.80
 Momenta zeroed out, time           132399.80
- acceleration/energy drift too large   2.26562294071510     
-   13.9182151446820       split increased to            2  itime      662326 
-  itsplit           1
- acceleration/energy drift too large   9.93376171564262     
-   64.2878446009376       split increased to            2  itime      662400 
-  itsplit           1
- acceleration/energy drift too large   2.30099762423068     
-   22.6676385062174       split increased to            2  itime      662401 
+ acceleration/energy drift too large   3.93206899619798     
+   21.3078807803627       split increased to            2  itime      662888 
   itsplit           1
 Momenta zeroed out, time           132599.80
- acceleration/energy drift too large   10.7037538607823     
-   53.6863346691434       split increased to            2  itime      663616 
+ acceleration/energy drift too large   3.83506945698033     
+   11.4778405716289       split increased to            2  itime      663464 
   itsplit           1
- acceleration/energy drift too large   8.80535426311819     
-   35.0053171676343       split increased to            2  itime      663858 
+ acceleration/energy drift too large   6.59371666887209     
+   13.4220804901012       split increased to            2  itime      663688 
   itsplit           1
 Momenta zeroed out, time           132799.80
- acceleration/energy drift too large   5.47124277393825     
-   32.9209438408857       split increased to            2  itime      664482 
+ acceleration/energy drift too large   4.67411025977358     
+   14.6549276802405       split increased to            2  itime      664219 
   itsplit           1
- acceleration/energy drift too large   3.40708420672420     
-   10.4543536920119       split increased to            2  itime      664514 
+ acceleration/energy drift too large   4.47097537593384     
+   12.2553744557426       split increased to            2  itime      664803 
   itsplit           1
- acceleration/energy drift too large   6.62429314617783     
-   31.1426603910204       split increased to            2  itime      664915 
+ acceleration/energy drift too large   3.61946562137472     
+   10.4504030008155       split increased to            2  itime      664885 
   itsplit           1
 Momenta zeroed out, time           132999.80
- acceleration/energy drift too large   6.53602912661594     
-   29.1820730357649       split increased to            2  itime      665729 
+ acceleration/energy drift too large   7.21751447772292     
+   33.0114141172395       split increased to            2  itime      665334 
   itsplit           1
- acceleration/energy drift too large   3.08519146931691     
-   19.1536327810956       split increased to            2  itime      665760 
+ acceleration/energy drift too large   5.38542069868606     
+   25.4515838353134       split increased to            2  itime      665515 
   itsplit           1
- acceleration/energy drift too large   4.69824836029223     
-   33.2342710460518       split increased to            2  itime      665817 
+ acceleration/energy drift too large   2.40106299748491     
+   13.8872173026618       split increased to            2  itime      665686 
   itsplit           1
 Momenta zeroed out, time           133199.80
- acceleration/energy drift too large   3.91931289361582     
-   11.4425485485262       split increased to            2  itime      666171 
-  itsplit           1
- acceleration/energy drift too large   4.48846725328662     
-   13.7611858421672       split increased to            2  itime      666488 
+ acceleration/energy drift too large   6.56616571516834     
+   20.1672433608431       split increased to            2  itime      666405 
   itsplit           1
 Momenta zeroed out, time           133399.80
- acceleration/energy drift too large   9.33774688531354     
-   38.4611618734562       split increased to            2  itime      667181 
-  itsplit           1
- acceleration/energy drift too large   4.76510506152191     
-   13.0297971683094       split increased to            2  itime      667705 
-  itsplit           1
 Momenta zeroed out, time           133599.80
+ acceleration/energy drift too large   5.46924395693691     
+   16.8139829059769       split increased to            2  itime      668493 
+  itsplit           1
 Momenta zeroed out, time           133799.80
 Velocities reset to random values, time           133999.80
 Momenta zeroed out, time           133999.80
- acceleration/energy drift too large   5.84165691871513     
-   11.8358712666092       split increased to            2  itime      670421 
+ acceleration/energy drift too large   5.63616797057590     
+   27.1759318418851       split increased to            2  itime      670348 
+  itsplit           1
+ acceleration/energy drift too large   4.99927858927386     
+   16.3425078662765       split increased to            2  itime      670417 
+  itsplit           1
+ acceleration/energy drift too large   7.86991877066067     
+   25.3312481465555       split increased to            2  itime      670477 
   itsplit           1
 Momenta zeroed out, time           134199.80
- acceleration/energy drift too large   5.28328313095903     
-   12.6221403836473       split increased to            2  itime      671359 
+ acceleration/energy drift too large   2.47379939092229     
+   16.1262327696906       split increased to            2  itime      671265 
   itsplit           1
- acceleration/energy drift too large   3.85183734480275     
-   10.1490429352411       split increased to            2  itime      671689 
+ acceleration/energy drift too large   3.27841731938912     
+   11.5949673525515       split increased to            2  itime      671295 
   itsplit           1
- acceleration/energy drift too large   5.98848535389195     
-   22.2614956490478       split increased to            2  itime      671692 
+ acceleration/energy drift too large   3.27043409890296     
+   10.1205956268525       split increased to            2  itime      671299 
   itsplit           1
-Momenta zeroed out, time           134399.80
- acceleration/energy drift too large   3.96363385437111     
-   16.8226301587993       split increased to            2  itime      672781 
+ acceleration/energy drift too large   2.48097525105067     
+   11.1494867348357       split increased to            2  itime      671304 
   itsplit           1
-Momenta zeroed out, time           134599.80
- acceleration/energy drift too large   4.66136928788472     
-   11.3947331928325       split increased to            2  itime      673184 
+ acceleration/energy drift too large   2.72963471520811     
+   10.0779590102540       split increased to            2  itime      671308 
   itsplit           1
- acceleration/energy drift too large   6.17429918051255     
-   14.5186447231838       split increased to            2  itime      673412 
+ acceleration/energy drift too large   5.48807046440825     
+   31.5471488530369       split increased to            2  itime      671801 
   itsplit           1
- acceleration/energy drift too large   3.24376169866015     
-   18.4307026702759       split increased to            2  itime      673639 
+Momenta zeroed out, time           134399.80
+ acceleration/energy drift too large   5.40358511300014     
+   15.6023780483690       split increased to            2  itime      672461 
+  itsplit           1
+ acceleration/energy drift too large   3.24048072683041     
+   11.6339722274857       split increased to            2  itime      672462 
   itsplit           1
+ acceleration/energy drift too large   1.48433969613548     
+   11.2561701617822       split increased to            2  itime      672479 
+  itsplit           1
+Momenta zeroed out, time           134599.80
 Momenta zeroed out, time           134799.80
- acceleration/energy drift too large   10.4897187130700     
-   46.4876661412361       split increased to            2  itime      674594 
+ acceleration/energy drift too large   2.75592486163585     
+   19.1612313192140       split increased to            2  itime      674000 
   itsplit           1
- acceleration/energy drift too large   5.52628525690262     
-   23.3085108734455       split increased to            2  itime      674721 
+ acceleration/energy drift too large   6.50739066550314     
+   14.2328663121273       split increased to            2  itime      674424 
   itsplit           1
 Momenta zeroed out, time           134999.80
+ acceleration/energy drift too large   5.59437699011072     
+   34.8868508095893       split increased to            2  itime      675100 
+  itsplit           1
 Momenta zeroed out, time           135199.80
 Momenta zeroed out, time           135399.80
- acceleration/energy drift too large   4.32720113742363     
-   12.6537874998469       split increased to            2  itime      677396 
+ acceleration/energy drift too large   4.76783620318731     
+   18.6756996835071       split increased to            2  itime      677480 
   itsplit           1
 Momenta zeroed out, time           135599.80
- acceleration/energy drift too large   6.47121531957945     
-   15.7577587399304       split increased to            2  itime      678265 
-  itsplit           1
- acceleration/energy drift too large   2.61590485369641     
-   16.9192878913607       split increased to            2  itime      678541 
-  itsplit           1
- acceleration/energy drift too large   3.62568299709933     
-   28.2132521128516       split increased to            2  itime      678616 
-  itsplit           1
- acceleration/energy drift too large   5.72718993394393     
-   20.3344181784983       split increased to            2  itime      678918 
-  itsplit           1
 Momenta zeroed out, time           135799.80
- acceleration/energy drift too large   3.69702568575237     
-   12.1709741041726       split increased to            2  itime      679268 
+ acceleration/energy drift too large   4.02598414201943     
+   12.2546746001396       split increased to            2  itime      679071 
   itsplit           1
 Velocities reset to random values, time           135999.80
 Momenta zeroed out, time           135999.80
- acceleration/energy drift too large   5.34608409422749     
-   22.2975058755244       split increased to            2  itime      680659 
-  itsplit           1
 Momenta zeroed out, time           136199.80
 Momenta zeroed out, time           136399.80
 Momenta zeroed out, time           136599.80
- acceleration/energy drift too large   12.1358060442178     
-   53.4519703896803       split increased to            2  itime      683617 
+ acceleration/energy drift too large   3.60249117682940     
+   13.0186512149419       split increased to            2  itime      683065 
+  itsplit           1
+ acceleration/energy drift too large   3.91085233594057     
+   20.5526056063839       split increased to            2  itime      683131 
+  itsplit           1
+ acceleration/energy drift too large   9.32030429186916     
+   33.6238842469739       split increased to            2  itime      683157 
   itsplit           1
- acceleration/energy drift too large   2.48080647615029     
-   10.0594490435478       split increased to            4  itime      683617 
+ acceleration/energy drift too large   5.54616324296395     
+   38.5542200632872       split increased to            2  itime      683221 
+  itsplit           1
+ acceleration/energy drift too large   2.12541506021342     
+   10.6653947323311       split increased to            2  itime      683298 
   itsplit           1
 Momenta zeroed out, time           136799.80
- acceleration/energy drift too large   3.80316396901934     
-   16.6082780658856       split increased to            2  itime      684369 
+ acceleration/energy drift too large   5.35864582487356     
+   14.1611291185450       split increased to            2  itime      684455 
   itsplit           1
- acceleration/energy drift too large   4.83409787092641     
-   28.7327093297598       split increased to            2  itime      684838 
+ acceleration/energy drift too large   4.78699021592524     
+   12.6032510630444       split increased to            2  itime      684857 
   itsplit           1
 Momenta zeroed out, time           136999.80
- acceleration/energy drift too large   5.45920086891908     
-   19.7532032183178       split increased to            2  itime      685368 
+ acceleration/energy drift too large   18.7339612697379     
+   122.335609456892       split increased to            2  itime      685001 
   itsplit           1
- acceleration/energy drift too large   3.03553762296351     
-   18.2342674862872       split increased to            2  itime      685600 
+ acceleration/energy drift too large   3.41325428711983     
+   16.9487338511911       split increased to            4  itime      685001 
+  itsplit           2
+Momenta zeroed out, time           137199.80
+ acceleration/energy drift too large   4.77101473229840     
+   25.4479378238508       split increased to            2  itime      686812 
   itsplit           1
- acceleration/energy drift too large   2.70556459487979     
-   14.8917974580284       split increased to            2  itime      685767 
+ acceleration/energy drift too large   5.13686495905184     
+   34.0428253609511       split increased to            2  itime      686906 
   itsplit           1
-Momenta zeroed out, time           137199.80
 Momenta zeroed out, time           137399.80
- acceleration/energy drift too large   5.18829631423938     
-   14.6998393756239       split increased to            2  itime      687270 
+ acceleration/energy drift too large   5.27043057086960     
+   13.5926238355982       split increased to            2  itime      687898 
   itsplit           1
 Momenta zeroed out, time           137599.80
- acceleration/energy drift too large   3.60825937592624     
-   18.1814135737634       split increased to            2  itime      688612 
-  itsplit           1
 Momenta zeroed out, time           137799.80
- acceleration/energy drift too large   4.05286395818053     
-   10.5414025567715       split increased to            2  itime      689926 
+ acceleration/energy drift too large   10.6516412979672     
+   52.5646975297327       split increased to            2  itime      689524 
+  itsplit           1
+ acceleration/energy drift too large   6.29248195267557     
+   33.2668409828062       split increased to            2  itime      689805 
   itsplit           1
 Velocities reset to random values, time           137999.80
 Momenta zeroed out, time           137999.80
- acceleration/energy drift too large   10.4995965802156     
-   48.6912997238367       split increased to            2  itime      690349 
-  itsplit           1
- acceleration/energy drift too large   2.42098081386778     
-   10.4336230516758       split increased to            4  itime      690349 
-  itsplit           1
- acceleration/energy drift too large   4.45522051290720     
-   12.0345403993276       split increased to            2  itime      690441 
-  itsplit           1
- acceleration/energy drift too large   5.55155636789760     
-   32.7047027012441       split increased to            2  itime      690617 
+ acceleration/energy drift too large   3.79930133999661     
+   11.3121182505722       split increased to            2  itime      690065 
   itsplit           1
 Momenta zeroed out, time           138199.80
-Momenta zeroed out, time           138399.80
- acceleration/energy drift too large   1.66865838190506     
-   13.4576042560221       split increased to            2  itime      692059 
+ acceleration/energy drift too large   6.97025617435375     
+   19.6613038684582       split increased to            2  itime      691279 
   itsplit           1
- acceleration/energy drift too large   4.68717597138907     
-   14.0008521264916       split increased to            2  itime      692073 
+ acceleration/energy drift too large   5.84393982418493     
+   10.4770312038234       split increased to            2  itime      691643 
   itsplit           1
- acceleration/energy drift too large   2.10656832083703     
-   10.9494670043858       split increased to            2  itime      692500 
+ acceleration/energy drift too large   6.65053933020971     
+   19.4794806976410       split increased to            2  itime      691650 
   itsplit           1
- acceleration/energy drift too large   2.73564786092707     
-   15.3347606491152       split increased to            2  itime      692501 
+ acceleration/energy drift too large   4.66378603453020     
+   11.8030284528116       split increased to            2  itime      691848 
   itsplit           1
- acceleration/energy drift too large   5.50413028474547     
-   14.2034182995525       split increased to            2  itime      692825 
+Momenta zeroed out, time           138399.80
+ acceleration/energy drift too large   2.30834438704152     
+   12.3844194413035       split increased to            2  itime      692673 
   itsplit           1
 Momenta zeroed out, time           138599.80
- acceleration/energy drift too large   8.56065289909470     
-   37.4746770734171       split increased to            2  itime      693107 
+ acceleration/energy drift too large   6.60805880988195     
+   22.2733600026296       split increased to            2  itime      693171 
   itsplit           1
- acceleration/energy drift too large   4.49334422806315     
-   29.6746560187756       split increased to            2  itime      693251 
+ acceleration/energy drift too large   7.74565898129138     
+   29.7777912897959       split increased to            2  itime      693991 
   itsplit           1
 Momenta zeroed out, time           138799.80
- acceleration/energy drift too large   5.36070985883477     
-   32.9940438909656       split increased to            2  itime      694223 
+ acceleration/energy drift too large   15.5522982192720     
+   98.2957005341290       split increased to            2  itime      694160 
   itsplit           1
+ acceleration/energy drift too large   3.92507025612347     
+   25.4611143332790       split increased to            4  itime      694160 
+  itsplit           2
 Momenta zeroed out, time           138999.80
- acceleration/energy drift too large   8.64906206775005     
-   33.8201156806784       split increased to            2  itime      695517 
-  itsplit           1
- acceleration/energy drift too large   4.81402929786594     
-   11.5108562646406       split increased to            2  itime      695518 
-  itsplit           1
- acceleration/energy drift too large   5.99173077824868     
-   15.7939586309312       split increased to            2  itime      695800 
-  itsplit           1
- acceleration/energy drift too large   4.74341831627056     
-   27.9197245339961       split increased to            2  itime      695801 
-  itsplit           1
- acceleration/energy drift too large   3.63258104124126     
-   13.2168540588498       split increased to            2  itime      695880 
-  itsplit           1
- acceleration/energy drift too large   6.23729487427431     
-   14.2441488705109       split increased to            2  itime      695885 
-  itsplit           1
 Momenta zeroed out, time           139199.80
- acceleration/energy drift too large   2.60899774897101     
-   10.5904424745000       split increased to            2  itime      696052 
-  itsplit           1
 Momenta zeroed out, time           139399.80
- acceleration/energy drift too large   9.79570542782152     
-   49.7796526144121       split increased to            2  itime      697151 
+ acceleration/energy drift too large   4.21265096295698     
+   16.2387790451726       split increased to            2  itime      697441 
   itsplit           1
- acceleration/energy drift too large   2.45935643489328     
-   12.4573808397480       split increased to            4  itime      697151 
-  itsplit           2
 Momenta zeroed out, time           139599.80
- acceleration/energy drift too large   3.21764525161972     
-   13.3031925975677       split increased to            2  itime      698388 
-  itsplit           1
- acceleration/energy drift too large   4.36665738085892     
-   13.2245983118318       split increased to            2  itime      698494 
-  itsplit           1
- acceleration/energy drift too large   4.82445001489225     
-   20.6070064696876       split increased to            2  itime      698807 
-  itsplit           1
 Momenta zeroed out, time           139799.80
- acceleration/energy drift too large   2.64201354829540     
-   11.1840469283812       split increased to            2  itime      699747 
-  itsplit           1
 Velocities reset to random values, time           139999.80
 Momenta zeroed out, time           139999.80
- acceleration/energy drift too large   9.42278807557157     
-   42.6505610870715       split increased to            2  itime      700020 
+Momenta zeroed out, time           140199.80
+ acceleration/energy drift too large   5.50713269947865     
+   15.7975404110319       split increased to            2  itime      701230 
   itsplit           1
- acceleration/energy drift too large   5.22675729380401     
-   26.4357233748571       split increased to            2  itime      700728 
+ acceleration/energy drift too large   3.96319672862707     
+   11.6894917642942       split increased to            2  itime      701447 
   itsplit           1
-Momenta zeroed out, time           140199.80
 Momenta zeroed out, time           140399.80
-Momenta zeroed out, time           140599.80
- acceleration/energy drift too large   6.89237747817104     
-   11.9499120563532       split increased to            2  itime      703050 
-  itsplit           1
- acceleration/energy drift too large   5.71730321498152     
-   11.3988891515773       split increased to            2  itime      703070 
+ acceleration/energy drift too large   6.16260215305793     
+   12.3095295703381       split increased to            2  itime      702343 
   itsplit           1
- acceleration/energy drift too large   6.39166666277706     
-   10.3589353827171       split increased to            2  itime      703082 
+ acceleration/energy drift too large   4.38538877350534     
+   14.5051351073799       split increased to            2  itime      702587 
   itsplit           1
- acceleration/energy drift too large   4.51523933919250     
-   13.2609756430848       split increased to            2  itime      703805 
+Momenta zeroed out, time           140599.80
+ acceleration/energy drift too large   12.8280652340545     
+   59.5769414736537       split increased to            2  itime      703702 
   itsplit           1
 Momenta zeroed out, time           140799.80
- acceleration/energy drift too large   4.40840811433740     
-   18.6648571600618       split increased to            2  itime      704241 
-  itsplit           1
- acceleration/energy drift too large   6.61943531206933     
-   18.0384317146478       split increased to            2  itime      704708 
-  itsplit           1
 Momenta zeroed out, time           140999.80
 Momenta zeroed out, time           141199.80
- acceleration/energy drift too large   2.33133391762812     
-   14.4236859608535       split increased to            2  itime      706840 
+ acceleration/energy drift too large   5.16056230388735     
+   13.3382101996208       split increased to            2  itime      706093 
   itsplit           1
-Momenta zeroed out, time           141399.80
- acceleration/energy drift too large   5.92363940350402     
-   27.4078129498909       split increased to            2  itime      707154 
+ acceleration/energy drift too large   6.81895163519720     
+   15.4081462872334       split increased to            2  itime      706778 
   itsplit           1
-Momenta zeroed out, time           141599.80
- acceleration/energy drift too large   8.75793426479428     
-   36.3076363597358       split increased to            2  itime      708396 
+ acceleration/energy drift too large   6.14866739266615     
+   23.2311303886416       split increased to            2  itime      706984 
   itsplit           1
- acceleration/energy drift too large   5.18349378328326     
-   13.3622806533314       split increased to            2  itime      708720 
+Momenta zeroed out, time           141399.80
+Momenta zeroed out, time           141599.80
+ acceleration/energy drift too large   3.67934488626090     
+   10.9732496288403       split increased to            2  itime      708484 
   itsplit           1
 Momenta zeroed out, time           141799.80
- acceleration/energy drift too large   3.82037154879493     
-   10.0966850377662       split increased to            2  itime      709935 
+ acceleration/energy drift too large   5.84121023386078     
+   22.3319648348131       split increased to            2  itime      709762 
+  itsplit           1
+ acceleration/energy drift too large   9.63999571347350     
+   28.2268252030949       split increased to            2  itime      709882 
   itsplit           1
 Velocities reset to random values, time           141999.80
 Momenta zeroed out, time           141999.80
 Momenta zeroed out, time           142199.80
- acceleration/energy drift too large   8.32986474579448     
-   28.5043564573851       split increased to            2  itime      711413 
-  itsplit           1
- acceleration/energy drift too large   4.04707320552084     
-   14.2444473224014       split increased to            2  itime      711636 
+ acceleration/energy drift too large   5.54141545724042     
+   11.1645522892985       split increased to            2  itime      711380 
   itsplit           1
 Momenta zeroed out, time           142399.80
- acceleration/energy drift too large   2.42329275335301     
-   13.3179596064689       split increased to            2  itime      712073 
-  itsplit           1
- acceleration/energy drift too large   4.00172860588490     
-   30.2166291596032       split increased to            2  itime      712752 
-  itsplit           1
- acceleration/energy drift too large   5.79907976077181     
-   38.3830185277055       split increased to            2  itime      712811 
+ acceleration/energy drift too large   7.33942694238496     
+   16.8582219806974       split increased to            2  itime      712051 
   itsplit           1
 Momenta zeroed out, time           142599.80
+ acceleration/energy drift too large   5.28238120539647     
+   17.1802991583358       split increased to            2  itime      713174 
+  itsplit           1
 Momenta zeroed out, time           142799.80
- acceleration/energy drift too large   7.93953744835615     
-   24.4085470991994       split increased to            2  itime      714279 
+Momenta zeroed out, time           142999.80
+ acceleration/energy drift too large   5.99290646312296     
+   12.4299021687594       split increased to            2  itime      715437 
   itsplit           1
- acceleration/energy drift too large   3.16501591455635     
-   21.4417684386297       split increased to            2  itime      714280 
+Momenta zeroed out, time           143199.80
+ acceleration/energy drift too large   5.28231440777024     
+   22.7080291058865       split increased to            2  itime      716079 
   itsplit           1
- acceleration/energy drift too large   5.70355623949254     
-   22.4384193971592       split increased to            2  itime      714366 
+ acceleration/energy drift too large   4.96131292386808     
+   22.5046916132722       split increased to            2  itime      716392 
   itsplit           1
-Momenta zeroed out, time           142999.80
- acceleration/energy drift too large   3.92640364971017     
-   13.8774772287018       split increased to            2  itime      715475 
+Momenta zeroed out, time           143399.80
+ acceleration/energy drift too large   4.52702744423421     
+   11.9554897418193       split increased to            2  itime      717244 
   itsplit           1
- acceleration/energy drift too large   5.37977754992938     
-   15.2052534776895       split increased to            2  itime      715547 
+ acceleration/energy drift too large   3.98296672007862     
+   13.5863885589680       split increased to            2  itime      717496 
   itsplit           1
- acceleration/energy drift too large   3.90657184243363     
-   10.6124505532358       split increased to            2  itime      715548 
+Momenta zeroed out, time           143599.80
+ acceleration/energy drift too large   5.78767970288247     
+   15.2848619447694       split increased to            2  itime      718328 
   itsplit           1
-Momenta zeroed out, time           143199.80
- acceleration/energy drift too large   3.61905121579948     
-   11.7253260804488       split increased to            2  itime      716950 
+ acceleration/energy drift too large   5.18622701735504     
+   19.4656187413383       split increased to            2  itime      718522 
   itsplit           1
-Momenta zeroed out, time           143399.80
-Momenta zeroed out, time           143599.80
- acceleration/energy drift too large   5.71716440468671     
-   11.8097313164410       split increased to            2  itime      718131 
+ acceleration/energy drift too large   4.43351616992932     
+   10.8506837340914       split increased to            2  itime      718971 
   itsplit           1
 Momenta zeroed out, time           143799.80
- acceleration/energy drift too large   6.97416860056757     
-   33.7082759352774       split increased to            2  itime      719368 
-  itsplit           1
- acceleration/energy drift too large   4.94511869436802     
-   14.2413320590707       split increased to            2  itime      719780 
+ acceleration/energy drift too large   5.67403649677729     
+   19.8308522261574       split increased to            2  itime      719795 
   itsplit           1
 Velocities reset to random values, time           143999.80
 Momenta zeroed out, time           143999.80
-Momenta zeroed out, time           144199.80
- acceleration/energy drift too large   3.52226810163005     
-   28.7353736138224       split increased to            2  itime      721226 
+ acceleration/energy drift too large   2.90068812808175     
+   12.0166277281666       split increased to            2  itime      720420 
   itsplit           1
- acceleration/energy drift too large   4.71774654792630     
-   10.8251584177591       split increased to            2  itime      721254 
+ acceleration/energy drift too large   8.29910266065468     
+   18.1899025402648       split increased to            2  itime      720730 
   itsplit           1
- acceleration/energy drift too large   14.6509165863247     
-   95.0011284947630       split increased to            2  itime      721636 
-  itsplit           1
- acceleration/energy drift too large   7.04201728152803     
-   25.4816955154378       split increased to            2  itime      721908 
+Momenta zeroed out, time           144199.80
+ acceleration/energy drift too large   4.08150249195848     
+   19.0722725081757       split increased to            2  itime      721282 
   itsplit           1
 Momenta zeroed out, time           144399.80
-Momenta zeroed out, time           144599.80
- acceleration/energy drift too large   4.73855532841293     
-   18.6572813280986       split increased to            2  itime      723288 
+ acceleration/energy drift too large   7.09985844736797     
+   18.3134481788374       split increased to            2  itime      722069 
   itsplit           1
- acceleration/energy drift too large   4.52119376281697     
-   20.0772741390918       split increased to            2  itime      723627 
+Momenta zeroed out, time           144599.80
+ acceleration/energy drift too large   5.23715111101859     
+   15.4184242326817       split increased to            2  itime      723660 
   itsplit           1
- acceleration/energy drift too large   4.47335993973238     
-   10.4918029271148       split increased to            2  itime      723750 
+ acceleration/energy drift too large   5.17292883950682     
+   19.1223736455878       split increased to            2  itime      723801 
   itsplit           1
 Momenta zeroed out, time           144799.80
- acceleration/energy drift too large   4.56462204897847     
-   15.7033412663040       split increased to            2  itime      724797 
+ acceleration/energy drift too large   2.29533520840338     
+   14.3021778407016       split increased to            2  itime      724192 
   itsplit           1
-Momenta zeroed out, time           144999.80
- acceleration/energy drift too large   5.49750503029445     
-   10.4001065145513       split increased to            2  itime      725124 
+ acceleration/energy drift too large   7.87186801940146     
+   16.0884774489016       split increased to            2  itime      724202 
+  itsplit           1
+ acceleration/energy drift too large   5.52222147679118     
+   14.7299530121837       split increased to            2  itime      724666 
   itsplit           1
+ acceleration/energy drift too large   5.50016701740105     
+   23.9220789045978       split increased to            2  itime      724908 
+  itsplit           1
+Momenta zeroed out, time           144999.80
 Momenta zeroed out, time           145199.80
- acceleration/energy drift too large   5.76297051344403     
-   11.3054661177355       split increased to            2  itime      726580 
+ acceleration/energy drift too large   4.02225059186482     
+   15.3392995550491       split increased to            2  itime      726059 
   itsplit           1
 Momenta zeroed out, time           145399.80
+ acceleration/energy drift too large   3.52713947851532     
+   13.1177120775312       split increased to            2  itime      727637 
+  itsplit           1
 Momenta zeroed out, time           145599.80
-Momenta zeroed out, time           145799.80
- acceleration/energy drift too large   5.24954427379742     
-   11.4625295583967       split increased to            2  itime      729002 
+ acceleration/energy drift too large   3.83720959100597     
+   13.1405357346426       split increased to            2  itime      728809 
   itsplit           1
- acceleration/energy drift too large   5.20908864076156     
-   10.2370975193363       split increased to            2  itime      729189 
+Momenta zeroed out, time           145799.80
+ acceleration/energy drift too large   5.71227907645995     
+   17.8747143766050       split increased to            2  itime      729177 
   itsplit           1
- acceleration/energy drift too large   5.88005029011868     
-   44.5960430034284       split increased to            2  itime      729204 
+ acceleration/energy drift too large   3.99236916901055     
+   11.8813906987398       split increased to            2  itime      729600 
   itsplit           1
 Velocities reset to random values, time           145999.80
 Momenta zeroed out, time           145999.80
 Momenta zeroed out, time           146199.80
- acceleration/energy drift too large   4.05174358876579     
-   11.1174606900597       split increased to            2  itime      731440 
-  itsplit           1
- acceleration/energy drift too large   10.3560923162803     
-   43.4603380021307       split increased to            2  itime      731737 
-  itsplit           1
 Momenta zeroed out, time           146399.80
- acceleration/energy drift too large   4.78627639468765     
-   17.9284081142195       split increased to            2  itime      732592 
-  itsplit           1
- acceleration/energy drift too large   3.90147680640528     
-   23.2932108857376       split increased to            2  itime      732951 
-  itsplit           1
 Momenta zeroed out, time           146599.80
- acceleration/energy drift too large   2.42528091873654     
-   13.7952805912568       split increased to            2  itime      733040 
+ acceleration/energy drift too large   6.53199558762668     
+   18.4330815495298       split increased to            2  itime      733537 
   itsplit           1
- acceleration/energy drift too large   6.42132950720952     
-   25.8195068819707       split increased to            2  itime      733086 
+ acceleration/energy drift too large   5.64590221813592     
+   10.2797396352853       split increased to            2  itime      733875 
   itsplit           1
 Momenta zeroed out, time           146799.80
- acceleration/energy drift too large   4.88928938576451     
-   18.3016818689238       split increased to            2  itime      734206 
+ acceleration/energy drift too large   12.7062489232028     
+   62.2925171178518       split increased to            2  itime      734320 
   itsplit           1
- acceleration/energy drift too large   5.33154339047478     
-   11.7970113742345       split increased to            2  itime      734494 
+ acceleration/energy drift too large   11.2381593657216     
+   66.5159464378909       split increased to            2  itime      734888 
   itsplit           1
 Momenta zeroed out, time           146999.80
- acceleration/energy drift too large   4.96479147503439     
-   10.3534084633690       split increased to            2  itime      735316 
+ acceleration/energy drift too large   5.38364520049727     
+   17.8762886401572       split increased to            2  itime      735034 
+  itsplit           1
+ acceleration/energy drift too large   5.25857454350500     
+   10.3355031624942       split increased to            2  itime      735539 
   itsplit           1
 Momenta zeroed out, time           147199.80
- acceleration/energy drift too large   4.35551486441046     
-   18.5104931432244       split increased to            2  itime      736991 
+ acceleration/energy drift too large   5.68338018232733     
+   26.6989125172242       split increased to            2  itime      736622 
   itsplit           1
 Momenta zeroed out, time           147399.80
- acceleration/energy drift too large   13.1516622842654     
-   91.1462403997164       split increased to            2  itime      737040 
+Momenta zeroed out, time           147599.80
+ acceleration/energy drift too large   5.43462694765567     
+   12.5552161986592       split increased to            2  itime      738187 
   itsplit           1
- acceleration/energy drift too large   14.2804515026805     
-   79.3239267132110       split increased to            2  itime      737798 
+ acceleration/energy drift too large   4.02460661928729     
+   18.4321305105640       split increased to            2  itime      738424 
   itsplit           1
-Momenta zeroed out, time           147599.80
- acceleration/energy drift too large   5.77452421735548     
-   16.6744390721459       split increased to            2  itime      738084 
+Momenta zeroed out, time           147799.80
+ acceleration/energy drift too large   6.25398413232738     
+   24.9184515109518       split increased to            2  itime      739082 
   itsplit           1
- acceleration/energy drift too large   6.12537342132914     
-   13.5764992246137       split increased to            2  itime      738571 
+ acceleration/energy drift too large   3.88902879394422     
+   13.9132819581963       split increased to            2  itime      739179 
   itsplit           1
- acceleration/energy drift too large   7.74397657681078     
-   28.9954040519466       split increased to            2  itime      738776 
+ acceleration/energy drift too large   6.45660638330002     
+   31.8526607431026       split increased to            2  itime      739811 
   itsplit           1
-Momenta zeroed out, time           147799.80
 Velocities reset to random values, time           147999.80
 Momenta zeroed out, time           147999.80
- acceleration/energy drift too large   2.38400705955674     
-   12.6607620607332       split increased to            2  itime      740069 
+ acceleration/energy drift too large   6.49555572946491     
+   17.1440711570227       split increased to            2  itime      740085 
   itsplit           1
- acceleration/energy drift too large   9.84149243240204     
-   44.5953517764024       split increased to            2  itime      740940 
-  itsplit           1
- acceleration/energy drift too large   3.16702278490136     
-   10.0174987567494       split increased to            2  itime      740941 
+ acceleration/energy drift too large   3.69908087713843     
+   16.4290870821662       split increased to            2  itime      740841 
   itsplit           1
 Momenta zeroed out, time           148199.80
- acceleration/energy drift too large   2.88439018344293     
-   14.4378817236950       split increased to            2  itime      741864 
+ acceleration/energy drift too large   2.88498512500827     
+   17.6921945252621       split increased to            2  itime      741653 
+  itsplit           1
+ acceleration/energy drift too large   6.78811011260155     
+   25.4680157149934       split increased to            2  itime      741820 
   itsplit           1
 Momenta zeroed out, time           148399.80
- acceleration/energy drift too large   6.06160317989499     
-   13.0600999304801       split increased to            2  itime      742096 
+ acceleration/energy drift too large   5.15843500893618     
+   12.6731360451259       split increased to            2  itime      742431 
   itsplit           1
- acceleration/energy drift too large   2.55421642574212     
-   12.0430956084458       split increased to            2  itime      742133 
+ acceleration/energy drift too large   4.02276779868077     
+   11.6053755545314       split increased to            2  itime      742582 
   itsplit           1
 Momenta zeroed out, time           148599.80
+ acceleration/energy drift too large   5.84313496542420     
+   31.3344258094058       split increased to            2  itime      743342 
+  itsplit           1
 Momenta zeroed out, time           148799.80
-Momenta zeroed out, time           148999.80
- acceleration/energy drift too large   2.35807674550555     
-   13.8216334745745       split increased to            2  itime      745688 
+ acceleration/energy drift too large   5.37241585232487     
+   19.7400293913326       split increased to            2  itime      744027 
+  itsplit           1
+ acceleration/energy drift too large   7.04604886634935     
+   23.6583919580831       split increased to            2  itime      744358 
+  itsplit           1
+ acceleration/energy drift too large   5.96165182353312     
+   13.9600083995000       split increased to            2  itime      744561 
   itsplit           1
- acceleration/energy drift too large   4.03734496194620     
-   20.1248600419106       split increased to            2  itime      745770 
+Momenta zeroed out, time           148999.80
+ acceleration/energy drift too large   6.18072841270444     
+   15.3646570738118       split increased to            2  itime      745286 
   itsplit           1
 Momenta zeroed out, time           149199.80
+ acceleration/energy drift too large   7.28830615724435     
+   43.3663160994161       split increased to            2  itime      746025 
+  itsplit           1
 Momenta zeroed out, time           149399.80
-Momenta zeroed out, time           149599.80
- acceleration/energy drift too large   9.74093179200549     
-   39.6410935077142       split increased to            2  itime      748215 
+ acceleration/energy drift too large   4.52194652610223     
+   17.7855767369827       split increased to            2  itime      747690 
   itsplit           1
+Momenta zeroed out, time           149599.80
 Momenta zeroed out, time           149799.80
- acceleration/energy drift too large   3.70999569357053     
-   12.4436666417357       split increased to            2  itime      749729 
+ acceleration/energy drift too large   12.2581060460900     
+   70.3238121754816       split increased to            2  itime      749058 
   itsplit           1
- acceleration/energy drift too large   3.59294723435692     
-   15.4717310257076       split increased to            2  itime      749827 
+ acceleration/energy drift too large   5.75904406777477     
+   15.6219859716895       split increased to            2  itime      749296 
+  itsplit           1
+ acceleration/energy drift too large   3.90644237976754     
+   13.9962883170406       split increased to            2  itime      749525 
+  itsplit           1
+ acceleration/energy drift too large   5.01481340644161     
+   11.5542895393921       split increased to            2  itime      749655 
+  itsplit           1
+ acceleration/energy drift too large   4.24006805718627     
+   10.5112658616577       split increased to            2  itime      749831 
   itsplit           1
 Velocities reset to random values, time           149999.80
 Momenta zeroed out, time           149999.80
- acceleration/energy drift too large   7.27138308300635     
-   21.7381278092942       split increased to            2  itime      750831 
+ acceleration/energy drift too large   5.73093145030691     
+   10.0891139346161       split increased to            2  itime      750138 
+  itsplit           1
+ acceleration/energy drift too large   5.33759695218868     
+   10.7377991523813       split increased to            2  itime      750233 
   itsplit           1
 Momenta zeroed out, time           150199.80
- acceleration/energy drift too large   2.86977662699935     
-   16.3625971035507       split increased to            2  itime      751225 
+ acceleration/energy drift too large   5.68430881270434     
+   29.5375687232493       split increased to            2  itime      751807 
   itsplit           1
 Momenta zeroed out, time           150399.80
- acceleration/energy drift too large   5.39669904076880     
-   13.5819247577928       split increased to            2  itime      752590 
-  itsplit           1
 Momenta zeroed out, time           150599.80
- acceleration/energy drift too large   13.9120950084876     
-   76.3168598240528       split increased to            2  itime      753387 
-  itsplit           1
- acceleration/energy drift too large   4.98955846515571     
-   13.2171024452507       split increased to            2  itime      753831 
+ acceleration/energy drift too large   3.93717935664236     
+   11.2533346746176       split increased to            2  itime      753449 
   itsplit           1
 Momenta zeroed out, time           150799.80
 Momenta zeroed out, time           150999.80
- acceleration/energy drift too large   5.36208239499343     
-   33.5432495513086       split increased to            2  itime      755415 
-  itsplit           1
- acceleration/energy drift too large   4.50357675775886     
-   23.1305932555536       split increased to            2  itime      755590 
+ acceleration/energy drift too large   8.43392004244726     
+   31.6835064320934       split increased to            2  itime      755590 
   itsplit           1
 Momenta zeroed out, time           151199.80
- acceleration/energy drift too large   12.1961147719660     
-   65.8485979171885       split increased to            2  itime      756232 
+ acceleration/energy drift too large   2.46532131710608     
+   10.6212902162640       split increased to            2  itime      756135 
   itsplit           1
- acceleration/energy drift too large   2.95891735973767     
-   14.1617884185908       split increased to            4  itime      756232 
+ acceleration/energy drift too large   6.69261178413126     
+   22.7127674854644       split increased to            2  itime      756294 
   itsplit           1
-Momenta zeroed out, time           151399.80
- acceleration/energy drift too large   6.84150432805654     
-   52.0706768997649       split increased to            2  itime      757811 
+ acceleration/energy drift too large   5.42117119454685     
+   11.9491079569051       split increased to            2  itime      756301 
   itsplit           1
- acceleration/energy drift too large   1.69773983634727     
-   12.7946391270100       split increased to            4  itime      757811 
-  itsplit           2
+Momenta zeroed out, time           151399.80
 Momenta zeroed out, time           151599.80
- acceleration/energy drift too large   4.56798612599197     
-   28.1112262279174       split increased to            2  itime      758098 
-  itsplit           1
- acceleration/energy drift too large   5.29510544248830     
-   20.9432550511236       split increased to            2  itime      758563 
-  itsplit           1
- acceleration/energy drift too large   6.36610941452961     
-   20.2763176657392       split increased to            2  itime      758669 
-  itsplit           1
- acceleration/energy drift too large   5.06385919918307     
-   30.8151685116465       split increased to            2  itime      758814 
-  itsplit           1
 Momenta zeroed out, time           151799.80
- acceleration/energy drift too large   5.82841575828561     
-   34.2816481690454       split increased to            2  itime      759227 
+ acceleration/energy drift too large   4.41960225335512     
+   20.9063861795551       split increased to            2  itime      759349 
+  itsplit           1
+ acceleration/energy drift too large   2.12106509083014     
+   10.2444777704381       split increased to            2  itime      759417 
   itsplit           1
 Velocities reset to random values, time           151999.80
 Momenta zeroed out, time           151999.80
+ acceleration/energy drift too large   7.64531607147799     
+   15.2307305345555       split increased to            2  itime      760094 
+  itsplit           1
 Momenta zeroed out, time           152199.80
- acceleration/energy drift too large   4.95340288219555     
-   18.2491310192599       split increased to            2  itime      761337 
+ acceleration/energy drift too large   1.72931491637751     
+   13.0873178618035       split increased to            2  itime      761275 
   itsplit           1
- acceleration/energy drift too large   5.71920593663046     
-   21.3474885875898       split increased to            2  itime      761552 
+ acceleration/energy drift too large   3.21287504574858     
+   19.6288667073021       split increased to            2  itime      761434 
   itsplit           1
 Momenta zeroed out, time           152399.80
- acceleration/energy drift too large   5.92849458709409     
-   14.2203220667920       split increased to            2  itime      762606 
+ acceleration/energy drift too large   2.86313572622777     
+   14.1393141582688       split increased to            2  itime      762000 
   itsplit           1
-Momenta zeroed out, time           152599.80
- acceleration/energy drift too large   3.66145990669789     
-   18.4702399054928       split increased to            2  itime      763585 
+ acceleration/energy drift too large   2.73074020461996     
+   12.2745203715832       split increased to            2  itime      762006 
   itsplit           1
-Momenta zeroed out, time           152799.80
- acceleration/energy drift too large   3.26393179557765     
-   11.8566365790709       split increased to            2  itime      764486 
+ acceleration/energy drift too large   3.15539675890866     
+   11.7496090900194       split increased to            2  itime      762036 
   itsplit           1
- acceleration/energy drift too large   5.93159602302616     
-   20.4132876930059       split increased to            2  itime      764508 
+ acceleration/energy drift too large   3.28555587027091     
+   10.4022713618946       split increased to            2  itime      762038 
   itsplit           1
- acceleration/energy drift too large   6.16672902332313     
-   28.6290799142732       split increased to            2  itime      764805 
+ acceleration/energy drift too large   1.90070865068474     
+   11.5781776670917       split increased to            2  itime      762099 
   itsplit           1
-Momenta zeroed out, time           152999.80
- acceleration/energy drift too large   6.34244216949777     
-   24.4418847750602       split increased to            2  itime      765572 
+ acceleration/energy drift too large   1.82479195018580     
+   11.2301484874094       split increased to            2  itime      762105 
   itsplit           1
-Momenta zeroed out, time           153199.80
- acceleration/energy drift too large   6.09597984375320     
-   23.7944236506917       split increased to            2  itime      766010 
+ acceleration/energy drift too large   3.15402113180483     
+   13.7597236548031       split increased to            2  itime      762119 
+  itsplit           1
+ acceleration/energy drift too large   2.70110264768862     
+   11.3123181070170       split increased to            2  itime      762132 
+  itsplit           1
+ acceleration/energy drift too large   6.67070967409292     
+   21.7264395136498       split increased to            2  itime      762278 
+  itsplit           1
+Momenta zeroed out, time           152599.80
+ acceleration/energy drift too large   13.5038648412645     
+   93.7665164201017       split increased to            2  itime      763333 
   itsplit           1
- acceleration/energy drift too large   3.58837907360010     
-   16.3650650015827       split increased to            2  itime      766240 
+ acceleration/energy drift too large   2.38900417393068     
+   15.0001275431598       split increased to            2  itime      763334 
   itsplit           1
- acceleration/energy drift too large   4.96790732524573     
-   19.9331205903909       split increased to            2  itime      766278 
+ acceleration/energy drift too large   3.76291804424567     
+   11.7480338874305       split increased to            2  itime      763439 
   itsplit           1
- acceleration/energy drift too large   8.41048020839202     
-   39.0354210293773       split increased to            2  itime      766709 
+ acceleration/energy drift too large   3.59489149781701     
+   15.8921794748658       split increased to            2  itime      763974 
   itsplit           1
- acceleration/energy drift too large   14.9024513171590     
-   97.2425462298496       split increased to            2  itime      766806 
+Momenta zeroed out, time           152799.80
+ acceleration/energy drift too large   6.16245804716903     
+   19.6812250664992       split increased to            2  itime      764681 
+  itsplit           1
+Momenta zeroed out, time           152999.80
+ acceleration/energy drift too large   3.96214791303996     
+   11.8025921342664       split increased to            2  itime      765060 
+  itsplit           1
+ acceleration/energy drift too large   5.57684024858071     
+   18.6328744772235       split increased to            2  itime      765341 
   itsplit           1
+ acceleration/energy drift too large   2.04009111841467     
+   11.9396170231986       split increased to            2  itime      765642 
+  itsplit           1
+Momenta zeroed out, time           153199.80
 Momenta zeroed out, time           153399.80
- acceleration/energy drift too large   7.20235803526757     
-   16.6636264227251       split increased to            2  itime      767678 
+ acceleration/energy drift too large   12.3283775348264     
+   46.7338402233583       split increased to            2  itime      767825 
   itsplit           1
-Momenta zeroed out, time           153599.80
-Momenta zeroed out, time           153799.80
- acceleration/energy drift too large   5.79119494487045     
-   11.8113367848253       split increased to            2  itime      769414 
+ acceleration/energy drift too large   9.99146626757124     
+   24.0330946784385       split increased to            2  itime      767826 
   itsplit           1
- acceleration/energy drift too large   8.75717788478687     
-   33.3059159265173       split increased to            2  itime      769695 
+Momenta zeroed out, time           153599.80
+ acceleration/energy drift too large   5.99918246728478     
+   18.2444334237662       split increased to            2  itime      768359 
   itsplit           1
- acceleration/energy drift too large   6.72457299194396     
-   14.3659165979061       split increased to            2  itime      769732 
+Momenta zeroed out, time           153799.80
+ acceleration/energy drift too large   2.67908447824884     
+   13.7698063243215       split increased to            2  itime      769977 
   itsplit           1
 Velocities reset to random values, time           153999.80
 Momenta zeroed out, time           153999.80
- acceleration/energy drift too large   5.49951901242792     
-   15.6606932943489       split increased to            2  itime      770469 
+ acceleration/energy drift too large   4.18878289626372     
+   21.4724517617752       split increased to            2  itime      770657 
   itsplit           1
 Momenta zeroed out, time           154199.80
- acceleration/energy drift too large   9.27841649754596     
-   42.0850443310252       split increased to            2  itime      771115 
+ acceleration/energy drift too large   3.74339514639303     
+   13.5931848546909       split increased to            2  itime      771224 
+  itsplit           1
+ acceleration/energy drift too large   1.83040548785446     
+   12.1691474270262       split increased to            2  itime      771485 
+  itsplit           1
+ acceleration/energy drift too large   4.92715375753143     
+   26.2110767890271       split increased to            2  itime      771712 
   itsplit           1
- acceleration/energy drift too large   9.57814572305770     
-   34.9211939648962       split increased to            2  itime      771762 
+ acceleration/energy drift too large   4.11333194235911     
+   16.2992586717277       split increased to            2  itime      771776 
   itsplit           1
 Momenta zeroed out, time           154399.80
 Momenta zeroed out, time           154599.80
 Momenta zeroed out, time           154799.80
- acceleration/energy drift too large   6.33660039442649     
-   20.1878485688481       split increased to            2  itime      774683 
-  itsplit           1
- acceleration/energy drift too large   1.87512550086370     
-   10.0622432854745       split increased to            2  itime      774684 
-  itsplit           1
- acceleration/energy drift too large   4.06520292835845     
-   10.3314464434773       split increased to            2  itime      774701 
+ acceleration/energy drift too large   7.73681497887754     
+   16.7297043170218       split increased to            2  itime      774219 
   itsplit           1
 Momenta zeroed out, time           154999.80
 Momenta zeroed out, time           155199.80
 Momenta zeroed out, time           155399.80
+ acceleration/energy drift too large   3.05392729309291     
+   10.3756270611460       split increased to            2  itime      777169 
+  itsplit           1
+ acceleration/energy drift too large   3.17114873530499     
+   10.5005515942853       split increased to            2  itime      777253 
+  itsplit           1
+ acceleration/energy drift too large   4.63820160298649     
+   21.0183795055323       split increased to            2  itime      777736 
+  itsplit           1
+ acceleration/energy drift too large   3.48050011987346     
+   17.5958704742167       split increased to            2  itime      777938 
+  itsplit           1
 Momenta zeroed out, time           155599.80
+ acceleration/energy drift too large   6.24938738745427     
+   31.7556378287186       split increased to            2  itime      778701 
+  itsplit           1
 Momenta zeroed out, time           155799.80
+ acceleration/energy drift too large   3.93472084986090     
+   10.3264097164087       split increased to            2  itime      779272 
+  itsplit           1
 Velocities reset to random values, time           155999.80
 Momenta zeroed out, time           155999.80
-Momenta zeroed out, time           156199.80
- acceleration/energy drift too large   3.40790031544442     
-   20.0000976486697       split increased to            2  itime      781429 
+ acceleration/energy drift too large   6.54621090840947     
+   21.7568732578217       split increased to            2  itime      780025 
   itsplit           1
- acceleration/energy drift too large   3.19228405223636     
-   23.9332301067628       split increased to            2  itime      781814 
+ acceleration/energy drift too large   3.45736676290818     
+   12.1734621201508       split increased to            2  itime      780997 
   itsplit           1
-Momenta zeroed out, time           156399.80
- acceleration/energy drift too large   3.66153100118899     
-   11.6225078525092       split increased to            2  itime      782031 
+Momenta zeroed out, time           156199.80
+ acceleration/energy drift too large   5.28854142456393     
+   29.0100243878563       split increased to            2  itime      781087 
   itsplit           1
- acceleration/energy drift too large   4.46085898431953     
-   21.1468457934548       split increased to            2  itime      782120 
+Momenta zeroed out, time           156399.80
+ acceleration/energy drift too large   15.7176041840293     
+   114.974564544438       split increased to            2  itime      782500 
   itsplit           1
- acceleration/energy drift too large   4.55151517408955     
-   19.1225774151681       split increased to            2  itime      782160 
+ acceleration/energy drift too large   5.36681170041836     
+   10.8312768827627       split increased to            2  itime      782635 
   itsplit           1
- acceleration/energy drift too large   6.81174063030946     
-   43.9530606933589       split increased to            2  itime      782249 
+Momenta zeroed out, time           156599.80
+ acceleration/energy drift too large   14.6218142311948     
+   71.4383148169349       split increased to            2  itime      783002 
   itsplit           1
- acceleration/energy drift too large   5.02655649932083     
-   12.9831659608648       split increased to            2  itime      782460 
+ acceleration/energy drift too large   3.58313378573840     
+   17.4241961770632       split increased to            4  itime      783002 
+  itsplit           2
+ acceleration/energy drift too large   5.21111921230287     
+   28.8276337098888       split increased to            2  itime      783130 
   itsplit           1
- acceleration/energy drift too large   4.69626404047059     
-   12.1160464614106       split increased to            2  itime      782549 
+ acceleration/energy drift too large   2.20836142650659     
+   10.8267756241484       split increased to            2  itime      783526 
   itsplit           1
-Momenta zeroed out, time           156599.80
- acceleration/energy drift too large   4.56205294927086     
-   12.0675679723053       split increased to            2  itime      783613 
+ acceleration/energy drift too large   2.99527035491385     
+   16.7485737433013       split increased to            2  itime      783659 
   itsplit           1
 Momenta zeroed out, time           156799.80
- acceleration/energy drift too large   6.55666689060099     
-   24.2913722468492       split increased to            2  itime      784158 
+ acceleration/energy drift too large   2.39512561640715     
+   14.5963544331071       split increased to            2  itime      784473 
   itsplit           1
- acceleration/energy drift too large   6.22984722983184     
-   21.7410182761663       split increased to            2  itime      784346 
+ acceleration/energy drift too large   2.04352218522676     
+   12.8213936768279       split increased to            2  itime      784594 
   itsplit           1
- acceleration/energy drift too large   5.16223280277620     
-   13.1402893297398       split increased to            2  itime      784918 
+ acceleration/energy drift too large   3.49552889071353     
+   24.6797853095292       split increased to            2  itime      784820 
   itsplit           1
 Momenta zeroed out, time           156999.80
- acceleration/energy drift too large   7.58186071094477     
-   18.2034919787537       split increased to            2  itime      785162 
+ acceleration/energy drift too large   4.64862342330887     
+   12.7863777215477       split increased to            2  itime      785227 
   itsplit           1
-Momenta zeroed out, time           157199.80
- acceleration/energy drift too large   4.92171814815370     
-   13.6950135266747       split increased to            2  itime      786523 
+ acceleration/energy drift too large   6.70952938111894     
+   12.2119951082729       split increased to            2  itime      785438 
   itsplit           1
+ acceleration/energy drift too large   5.54814468997040     
+   39.5568260495110       split increased to            2  itime      785614 
+  itsplit           1
+ acceleration/energy drift too large   2.25123640634043     
+   10.3247209118097       split increased to            2  itime      785621 
+  itsplit           1
+Momenta zeroed out, time           157199.80
 Momenta zeroed out, time           157399.80
- acceleration/energy drift too large   3.78980158733951     
-   15.7409538542960       split increased to            2  itime      787339 
+ acceleration/energy drift too large   4.96176805217415     
+   14.1692817880146       split increased to            2  itime      787052 
   itsplit           1
 Momenta zeroed out, time           157599.80
- acceleration/energy drift too large   5.34241733643295     
-   16.4689637817870       split increased to            2  itime      788064 
+Momenta zeroed out, time           157799.80
+ acceleration/energy drift too large   32.3603307838644     
+   276.221139164604       split increased to            2  itime      789547 
   itsplit           1
- acceleration/energy drift too large   2.59173686745385     
-   12.8127463583559       split increased to            2  itime      788283 
-  itsplit           1
- acceleration/energy drift too large   4.83134296004495     
-   12.9371464210643       split increased to            2  itime      788552 
-  itsplit           1
- acceleration/energy drift too large   3.36788546365550     
-   16.2979685340601       split increased to            2  itime      788923 
-  itsplit           1
- acceleration/energy drift too large   5.60362185967942     
-   19.3028325385650       split increased to            2  itime      788970 
-  itsplit           1
-Momenta zeroed out, time           157799.80
- acceleration/energy drift too large   4.22821814049612     
-   11.9727814383891       split increased to            2  itime      789153 
+ acceleration/energy drift too large   7.79783014900687     
+   67.0863469559625       split increased to            4  itime      789547 
+  itsplit           2
+ acceleration/energy drift too large   5.41192970503267     
+   15.7098307300680       split increased to            2  itime      789890 
   itsplit           1
 Velocities reset to random values, time           157999.80
 Momenta zeroed out, time           157999.80
- acceleration/energy drift too large   5.42085328730576     
-   15.4294222625976       split increased to            2  itime      790658 
+ acceleration/energy drift too large   4.22351838214343     
+   18.9629458367579       split increased to            2  itime      790133 
+  itsplit           1
+ acceleration/energy drift too large   3.82932826230538     
+   15.3739874482465       split increased to            2  itime      790385 
   itsplit           1
- acceleration/energy drift too large   4.55175201649975     
-   14.5840665672223       split increased to            2  itime      790868 
+ acceleration/energy drift too large   8.16793268255447     
+   42.0806738434764       split increased to            2  itime      790634 
+  itsplit           1
+ acceleration/energy drift too large   2.70658955362010     
+   10.7062945056731       split increased to            2  itime      790870 
   itsplit           1
 Momenta zeroed out, time           158199.80
+ acceleration/energy drift too large   11.6983956641998     
+   57.7683681686998       split increased to            2  itime      791601 
+  itsplit           1
 Momenta zeroed out, time           158399.80
- acceleration/energy drift too large   4.33801637300219     
-   22.8484923471144       split increased to            2  itime      792058 
+ acceleration/energy drift too large   4.06987882867500     
+   16.3630061720513       split increased to            2  itime      792227 
   itsplit           1
-Momenta zeroed out, time           158599.80
- acceleration/energy drift too large   4.25124255663878     
-   16.8745597229380       split increased to            2  itime      793053 
+ acceleration/energy drift too large   7.53204741246047     
+   52.8215947282356       split increased to            2  itime      792251 
   itsplit           1
- acceleration/energy drift too large   5.54630779651173     
-   16.8103071740651       split increased to            2  itime      793711 
+ acceleration/energy drift too large   5.71960697723681     
+   21.7705677978207       split increased to            2  itime      792294 
   itsplit           1
-Momenta zeroed out, time           158799.80
- acceleration/energy drift too large   5.42823649835610     
-   12.3964280876340       split increased to            2  itime      794573 
+ acceleration/energy drift too large   5.30403151071424     
+   21.9109891260661       split increased to            2  itime      792505 
   itsplit           1
+Momenta zeroed out, time           158599.80
+Momenta zeroed out, time           158799.80
 Momenta zeroed out, time           158999.80
- acceleration/energy drift too large   5.15548614338858     
-   15.9437454211796       split increased to            2  itime      795303 
-  itsplit           1
- acceleration/energy drift too large   11.2719040657408     
-   49.2541740177874       split increased to            2  itime      795601 
-  itsplit           1
 Momenta zeroed out, time           159199.80
- acceleration/energy drift too large   7.52061665603749     
-   18.3678941360641       split increased to            2  itime      796070 
+ acceleration/energy drift too large   4.27231074521048     
+   21.6020963524031       split increased to            2  itime      796171 
   itsplit           1
- acceleration/energy drift too large   13.2392926293165     
-   100.571105382823       split increased to            2  itime      796735 
+ acceleration/energy drift too large   4.52712411438294     
+   10.9541762903771       split increased to            2  itime      796183 
   itsplit           1
- acceleration/energy drift too large   11.8785174934712     
-   57.8617325213028       split increased to            2  itime      796800 
+ acceleration/energy drift too large   4.40927966818468     
+   11.5196964396459       split increased to            2  itime      796188 
   itsplit           1
- acceleration/energy drift too large   2.94887698880317     
-   13.8734620325397       split increased to            4  itime      796800 
-  itsplit           2
-Momenta zeroed out, time           159399.80
- acceleration/energy drift too large   4.27563239071153     
-   24.9523514199892       split increased to            2  itime      797145 
+ acceleration/energy drift too large   4.42749399922715     
+   14.3402239113876       split increased to            2  itime      796237 
   itsplit           1
- acceleration/energy drift too large   6.55788349950529     
-   16.2623038507295       split increased to            2  itime      797331 
+ acceleration/energy drift too large   6.28943965010897     
+   15.7490782748780       split increased to            2  itime      796578 
   itsplit           1
- acceleration/energy drift too large   7.14058528892611     
-   35.3405433989933       split increased to            2  itime      797568 
+ acceleration/energy drift too large   7.41627804679576     
+   29.8909887344107       split increased to            2  itime      796664 
   itsplit           1
+Momenta zeroed out, time           159399.80
 Momenta zeroed out, time           159599.80
- acceleration/energy drift too large   10.4788614099430     
-   44.2354121149542       split increased to            2  itime      798963 
+ acceleration/energy drift too large   5.17084301964436     
+   26.1200128063756       split increased to            2  itime      798350 
+  itsplit           1
+ acceleration/energy drift too large   2.21417671577186     
+   12.6458598601972       split increased to            2  itime      798856 
   itsplit           1
 Momenta zeroed out, time           159799.80
- acceleration/energy drift too large   3.40221187571874     
-   13.2449274759362       split increased to            2  itime      799957 
+ acceleration/energy drift too large   6.59865370277117     
+   29.6311585496097       split increased to            2  itime      799771 
   itsplit           1
 Velocities reset to random values, time           159999.80
 Momenta zeroed out, time           159999.80
 Momenta zeroed out, time           160199.80
- acceleration/energy drift too large   4.47936375465572     
-   22.3557234592897       split increased to            2  itime      801528 
+ acceleration/energy drift too large   3.96942346923027     
+   10.7826557705494       split increased to            2  itime      801013 
+  itsplit           1
+ acceleration/energy drift too large   5.42645417091695     
+   28.7532792579642       split increased to            2  itime      801175 
+  itsplit           1
+ acceleration/energy drift too large   4.67473976058796     
+   21.8149199465746       split increased to            2  itime      801176 
   itsplit           1
- acceleration/energy drift too large   4.35432880985046     
-   17.8057205419091       split increased to            2  itime      801544 
+ acceleration/energy drift too large   4.30432972422120     
+   16.5713118497322       split increased to            2  itime      801237 
   itsplit           1
- acceleration/energy drift too large   6.66335072560995     
-   39.8054256197519       split increased to            2  itime      801564 
+ acceleration/energy drift too large   3.76441196112087     
+   20.6786036101046       split increased to            2  itime      801296 
+  itsplit           1
+ acceleration/energy drift too large   6.52499948595248     
+   11.7364935121036       split increased to            2  itime      801317 
+  itsplit           1
+ acceleration/energy drift too large   7.23484542818135     
+   17.4345075064348       split increased to            2  itime      801444 
   itsplit           1
 Momenta zeroed out, time           160399.80
+ acceleration/energy drift too large   4.97076481359115     
+   17.6843095823793       split increased to            2  itime      802473 
+  itsplit           1
 Momenta zeroed out, time           160599.80
- acceleration/energy drift too large   2.86105857454299     
-   10.2555205578260       split increased to            2  itime      803785 
+ acceleration/energy drift too large   6.71729235545796     
+   14.9359122141165       split increased to            2  itime      803373 
   itsplit           1
-Momenta zeroed out, time           160799.80
- acceleration/energy drift too large   6.22905164617361     
-   15.3259190799147       split increased to            2  itime      804270 
+ acceleration/energy drift too large   4.29655752451041     
+   16.4722289032427       split increased to            2  itime      803781 
+  itsplit           1
+ acceleration/energy drift too large   3.22886178979034     
+   12.1553770092702       split increased to            2  itime      803782 
+  itsplit           1
+ acceleration/energy drift too large   3.11274258830629     
+   14.2571934743536       split increased to            2  itime      803872 
   itsplit           1
+Momenta zeroed out, time           160799.80
 Momenta zeroed out, time           160999.80
+ acceleration/energy drift too large   4.51286902557150     
+   18.9864783582411       split increased to            2  itime      805650 
+  itsplit           1
+ acceleration/energy drift too large   6.05318852782339     
+   14.9137455866676       split increased to            2  itime      805927 
+  itsplit           1
 Momenta zeroed out, time           161199.80
- acceleration/energy drift too large   3.58197448831192     
-   11.7025933848496       split increased to            2  itime      806762 
+ acceleration/energy drift too large   5.27064750668687     
+   16.6795407789369       split increased to            2  itime      806177 
+  itsplit           1
+ acceleration/energy drift too large   2.64012890129064     
+   12.6017925763618       split increased to            2  itime      806425 
   itsplit           1
- acceleration/energy drift too large   7.27783382577770     
-   25.1053412583675       split increased to            2  itime      806834 
+ acceleration/energy drift too large   4.98892935089242     
+   23.8164675696041       split increased to            2  itime      806494 
   itsplit           1
 Momenta zeroed out, time           161399.80
- acceleration/energy drift too large   5.53884503989780     
-   15.2396218247274       split increased to            2  itime      807300 
+ acceleration/energy drift too large   6.80217509505230     
+   14.5038142813570       split increased to            2  itime      807607 
   itsplit           1
 Momenta zeroed out, time           161599.80
- acceleration/energy drift too large   4.68055487055944     
-   20.0034008363561       split increased to            2  itime      808904 
+ acceleration/energy drift too large   3.87812659293835     
+   12.5554847536380       split increased to            2  itime      808191 
+  itsplit           1
+ acceleration/energy drift too large   8.68335934749202     
+   40.0113507317465       split increased to            2  itime      808209 
+  itsplit           1
+ acceleration/energy drift too large   6.07391342811474     
+   27.6174647525440       split increased to            2  itime      808445 
+  itsplit           1
+ acceleration/energy drift too large   5.52526610258072     
+   13.3711801847137       split increased to            2  itime      808975 
   itsplit           1
 Momenta zeroed out, time           161799.80
- acceleration/energy drift too large   4.20442083789245     
-   11.0500866903346       split increased to            2  itime      809251 
+ acceleration/energy drift too large   5.69344464653177     
+   12.2473687635413       split increased to            2  itime      809320 
+  itsplit           1
+ acceleration/energy drift too large   4.88394449434853     
+   14.4965686258192       split increased to            2  itime      809504 
   itsplit           1
 Velocities reset to random values, time           161999.80
 Momenta zeroed out, time           161999.80
- acceleration/energy drift too large   11.2346586782355     
-   52.9537056667067       split increased to            2  itime      810562 
+Momenta zeroed out, time           162199.80
+ acceleration/energy drift too large   2.38621781521148     
+   12.7367963346212       split increased to            2  itime      811098 
   itsplit           1
- acceleration/energy drift too large   6.08478063965175     
-   37.0022940884473       split increased to            2  itime      810636 
+ acceleration/energy drift too large   3.60159872457278     
+   10.0414688352953       split increased to            2  itime      811985 
   itsplit           1
-Momenta zeroed out, time           162199.80
 Momenta zeroed out, time           162399.80
- acceleration/energy drift too large   4.79033522800034     
-   16.2745961845407       split increased to            2  itime      812305 
+ acceleration/energy drift too large   3.58229331915099     
+   11.6566704085263       split increased to            2  itime      812482 
+  itsplit           1
+ acceleration/energy drift too large   10.0958753104434     
+   48.2050725707000       split increased to            2  itime      812780 
   itsplit           1
 Momenta zeroed out, time           162599.80
 Momenta zeroed out, time           162799.80
- acceleration/energy drift too large   10.3947544949484     
-   48.6582170251197       split increased to            2  itime      814448 
+ acceleration/energy drift too large   6.04178556462895     
+   12.7981446827577       split increased to            2  itime      814253 
+  itsplit           1
+ acceleration/energy drift too large   4.23361838085739     
+   13.6512276372881       split increased to            2  itime      814363 
   itsplit           1
 Momenta zeroed out, time           162999.80
 Momenta zeroed out, time           163199.80
- acceleration/energy drift too large   6.16385957901199     
-   18.0055307598509       split increased to            2  itime      816049 
+ acceleration/energy drift too large   4.26729686874482     
+   12.1596230885035       split increased to            2  itime      816488 
+  itsplit           1
+ acceleration/energy drift too large   5.13261491210308     
+   28.9403311656043       split increased to            2  itime      816608 
   itsplit           1
 Momenta zeroed out, time           163399.80
+ acceleration/energy drift too large   6.67427856878705     
+   64.9092573693624       split increased to            2  itime      817913 
+  itsplit           1
 Momenta zeroed out, time           163599.80
- acceleration/energy drift too large   8.77408417779210     
-   43.6158621537115       split increased to            2  itime      818519 
+ acceleration/energy drift too large   9.06734223642510     
+   33.4595570289957       split increased to            2  itime      818078 
+  itsplit           1
+ acceleration/energy drift too large   4.57843776691737     
+   21.0029843140619       split increased to            2  itime      818294 
+  itsplit           1
+ acceleration/energy drift too large   5.59245079735823     
+   11.0593197834179       split increased to            2  itime      818496 
   itsplit           1
 Momenta zeroed out, time           163799.80
- acceleration/energy drift too large   6.79544420941216     
-   10.4665264547039       split increased to            2  itime      819343 
+ acceleration/energy drift too large   6.07511158539153     
+   13.6493838670381       split increased to            2  itime      819363 
   itsplit           1
 Velocities reset to random values, time           163999.80
 Momenta zeroed out, time           163999.80
- acceleration/energy drift too large   2.82124948723580     
-   10.8751014631718       split increased to            2  itime      820794 
+ acceleration/energy drift too large   9.13765566852098     
+   37.2517381676612       split increased to            2  itime      820054 
+  itsplit           1
+ acceleration/energy drift too large   7.17386412001031     
+   23.0842443702591       split increased to            2  itime      820286 
+  itsplit           1
+ acceleration/energy drift too large   5.09096016854917     
+   10.7756472430427       split increased to            2  itime      820498 
+  itsplit           1
+ acceleration/energy drift too large   4.66664159888834     
+   22.6818073648637       split increased to            2  itime      820680 
   itsplit           1
 Momenta zeroed out, time           164199.80
 Momenta zeroed out, time           164399.80
+ acceleration/energy drift too large   3.61804882898284     
+   14.7094556857209       split increased to            2  itime      822214 
+  itsplit           1
+ acceleration/energy drift too large   5.48117462762785     
+   21.3612793203977       split increased to            2  itime      822429 
+  itsplit           1
+ acceleration/energy drift too large   3.96450677366230     
+   20.3716827918799       split increased to            2  itime      822724 
+  itsplit           1
 Momenta zeroed out, time           164599.80
- acceleration/energy drift too large   4.99860707294611     
-   22.3696551658139       split increased to            2  itime      823046 
+Momenta zeroed out, time           164799.80
+ acceleration/energy drift too large   2.58936422292603     
+   14.2126550216354       split increased to            2  itime      824369 
   itsplit           1
- acceleration/energy drift too large   3.10497927689980     
-   15.7940182416533       split increased to            2  itime      823097 
+ acceleration/energy drift too large   5.97129141735954     
+   31.9344116688868       split increased to            2  itime      824931 
   itsplit           1
- acceleration/energy drift too large   1.80585625019140     
-   10.9240948552362       split increased to            2  itime      823422 
+ acceleration/energy drift too large   10.6409112388535     
+   50.4409796056339       split increased to            2  itime      824984 
   itsplit           1
- acceleration/energy drift too large   3.20666931195894     
-   10.7100272095052       split increased to            2  itime      823599 
+Momenta zeroed out, time           164999.80
+ acceleration/energy drift too large   4.15154349929640     
+   19.5880627097000       split increased to            2  itime      825124 
   itsplit           1
- acceleration/energy drift too large   3.69171857058116     
-   11.1099719426468       split increased to            2  itime      823813 
+ acceleration/energy drift too large   4.52312727927896     
+   16.4383963166362       split increased to            2  itime      825755 
   itsplit           1
- acceleration/energy drift too large   5.74176635404461     
-   15.2751855390053       split increased to            2  itime      823891 
+Momenta zeroed out, time           165199.80
+ acceleration/energy drift too large   3.20555923385859     
+   14.2975167548136       split increased to            2  itime      826151 
   itsplit           1
- acceleration/energy drift too large   4.72468851140373     
-   14.2888523824055       split increased to            2  itime      823973 
+ acceleration/energy drift too large   3.19104769365342     
+   14.1476593453074       split increased to            2  itime      826614 
   itsplit           1
-Momenta zeroed out, time           164799.80
- acceleration/energy drift too large   3.74967097566284     
-   10.9003357555287       split increased to            2  itime      824261 
+ acceleration/energy drift too large   8.03093648435718     
+   24.3917184671001       split increased to            2  itime      826665 
   itsplit           1
-Momenta zeroed out, time           164999.80
- acceleration/energy drift too large   5.05501254935047     
-   16.3619638463714       split increased to            2  itime      825665 
+ acceleration/energy drift too large   5.92040241576478     
+   33.5023558613391       split increased to            2  itime      826666 
   itsplit           1
-Momenta zeroed out, time           165199.80
- acceleration/energy drift too large   4.95792673144433     
-   25.8378824400027       split increased to            2  itime      826421 
+ acceleration/energy drift too large   7.04101306956189     
+   16.8591375724277       split increased to            2  itime      826745 
   itsplit           1
- acceleration/energy drift too large   13.7964539407482     
-   83.1004294195481       split increased to            2  itime      826549 
+ acceleration/energy drift too large   4.01998676613004     
+   11.4499290011740       split increased to            2  itime      826900 
   itsplit           1
 Momenta zeroed out, time           165399.80
- acceleration/energy drift too large   9.12799889862636     
-   35.5819385520477       split increased to            2  itime      827289 
-  itsplit           1
- acceleration/energy drift too large   4.98617044278861     
-   18.0729918778701       split increased to            2  itime      827433 
+ acceleration/energy drift too large   4.45172726022570     
+   22.4819800467560       split increased to            2  itime      827114 
   itsplit           1
 Momenta zeroed out, time           165599.80
- acceleration/energy drift too large   5.56853304728356     
-   14.6137067081411       split increased to            2  itime      828353 
+ acceleration/energy drift too large   4.16273486279294     
+   13.0780720623271       split increased to            2  itime      828099 
+  itsplit           1
+ acceleration/energy drift too large   4.65663451678635     
+   16.0264889044274       split increased to            2  itime      828644 
   itsplit           1
 Momenta zeroed out, time           165799.80
- acceleration/energy drift too large   5.47712248041487     
-   20.5008411658892       split increased to            2  itime      829215 
+ acceleration/energy drift too large   4.46307731995233     
+   17.0903612996987       split increased to            2  itime      829328 
   itsplit           1
-Velocities reset to random values, time           165999.80
-Momenta zeroed out, time           165999.80
- acceleration/energy drift too large   5.05497553012597     
-   11.5983551436927       split increased to            2  itime      830113 
+ acceleration/energy drift too large   5.29290717409465     
+   14.9511189991401       split increased to            2  itime      829549 
   itsplit           1
- acceleration/energy drift too large   5.92315402856972     
-   15.2257813181970       split increased to            2  itime      830175 
+ acceleration/energy drift too large   5.59985976376868     
+   10.9403350685332       split increased to            2  itime      829629 
   itsplit           1
- acceleration/energy drift too large   2.56537298243790     
-   13.5838710218335       split increased to            4  itime      830175 
+Velocities reset to random values, time           165999.80
+Momenta zeroed out, time           165999.80
+ acceleration/energy drift too large   10.0653334964117     
+   43.2427245287577       split increased to            2  itime      830508 
   itsplit           1
- acceleration/energy drift too large   4.11729452555917     
-   13.8976788800569       split increased to            2  itime      830387 
+ acceleration/energy drift too large   5.14210874743354     
+   27.0767678101560       split increased to            2  itime      830537 
   itsplit           1
 Momenta zeroed out, time           166199.80
- acceleration/energy drift too large   2.83877023120865     
-   10.2021708473503       split increased to            2  itime      831010 
-  itsplit           1
- acceleration/energy drift too large   3.17265726789806     
-   18.5012750248351       split increased to            2  itime      831507 
-  itsplit           1
- acceleration/energy drift too large   3.99755751865168     
-   15.5098035969510       split increased to            2  itime      831878 
+ acceleration/energy drift too large   4.06870333325366     
+   13.6287791573018       split increased to            2  itime      831413 
   itsplit           1
 Momenta zeroed out, time           166399.80
- acceleration/energy drift too large   4.92080481025900     
-   17.7249238359146       split increased to            2  itime      832177 
-  itsplit           1
-Momenta zeroed out, time           166599.80
- acceleration/energy drift too large   4.01010703368986     
-   11.7941752888990       split increased to            2  itime      833370 
+ acceleration/energy drift too large   3.96888652481423     
+   24.7836628636517       split increased to            2  itime      832351 
   itsplit           1
- acceleration/energy drift too large   4.04094321415362     
-   12.0939625604738       split increased to            2  itime      833545 
-  itsplit           1
- acceleration/energy drift too large   5.50017306158273     
-   17.5777168776788       split increased to            2  itime      833977 
+ acceleration/energy drift too large   6.75383761452633     
+   28.9032443243944       split increased to            2  itime      832823 
   itsplit           1
+Momenta zeroed out, time           166599.80
 Momenta zeroed out, time           166799.80
- acceleration/energy drift too large   7.51280074839999     
-   26.2529285582429       split increased to            2  itime      834767 
-  itsplit           1
- acceleration/energy drift too large   5.68658817346601     
-   22.8164706162551       split increased to            2  itime      834819 
-  itsplit           1
- acceleration/energy drift too large   5.18188832660827     
-   14.2582469891288       split increased to            2  itime      834919 
+ acceleration/energy drift too large   7.52484681992523     
+   27.2520153533430       split increased to            2  itime      834254 
   itsplit           1
 Momenta zeroed out, time           166999.80
 Momenta zeroed out, time           167199.80
+ acceleration/energy drift too large   3.71211107661965     
+   13.0904601798683       split increased to            2  itime      836347 
+  itsplit           1
 Momenta zeroed out, time           167399.80
- acceleration/energy drift too large   3.83695116943700     
-   12.4872416451103       split increased to            2  itime      837271 
+ acceleration/energy drift too large   3.67490601779941     
+   12.6463676323085       split increased to            2  itime      837557 
   itsplit           1
 Momenta zeroed out, time           167599.80
-Momenta zeroed out, time           167799.80
- acceleration/energy drift too large   3.41688064431041     
-   10.4503040078732       split increased to            2  itime      839747 
+ acceleration/energy drift too large   4.12663731984387     
+   23.2201709580917       split increased to            2  itime      838755 
   itsplit           1
+Momenta zeroed out, time           167799.80
 Velocities reset to random values, time           167999.80
 Momenta zeroed out, time           167999.80
+ acceleration/energy drift too large   4.40175495425445     
+   11.0557809532810       split increased to            2  itime      840248 
+  itsplit           1
 Momenta zeroed out, time           168199.80
- acceleration/energy drift too large   7.96940399785811     
-   33.2825585005035       split increased to            2  itime      841076 
+ acceleration/energy drift too large   3.04445813727281     
+   12.2248975226302       split increased to            2  itime      841054 
+  itsplit           1
+ acceleration/energy drift too large   3.77140262680588     
+   10.2769309434461       split increased to            2  itime      841757 
   itsplit           1
 Momenta zeroed out, time           168399.80
+ acceleration/energy drift too large   3.24572448888443     
+   10.0888076647893       split increased to            2  itime      842885 
+  itsplit           1
 Momenta zeroed out, time           168599.80
+ acceleration/energy drift too large   6.61106642337929     
+   16.0226366462795       split increased to            2  itime      843092 
+  itsplit           1
 Momenta zeroed out, time           168799.80
 Momenta zeroed out, time           168999.80
- acceleration/energy drift too large   4.40853956780948     
-   20.0578260303842       split increased to            2  itime      845292 
+ acceleration/energy drift too large   7.92889337121039     
+   28.9427705402764       split increased to            2  itime      845593 
+  itsplit           1
+ acceleration/energy drift too large   7.04247665097364     
+   15.3412718528569       split increased to            2  itime      845594 
   itsplit           1
 Momenta zeroed out, time           169199.80
 Momenta zeroed out, time           169399.80
- acceleration/energy drift too large   2.23263220109686     
-   10.8763556033593       split increased to            2  itime      847512 
+ acceleration/energy drift too large   4.76411355056314     
+   16.3880491227731       split increased to            2  itime      847851 
   itsplit           1
 Momenta zeroed out, time           169599.80
- acceleration/energy drift too large   6.63981301185907     
-   19.8683534624860       split increased to            2  itime      848480 
-  itsplit           1
 Momenta zeroed out, time           169799.80
- acceleration/energy drift too large   1.85622160838654     
-   13.3168153953081       split increased to            2  itime      849190 
+ acceleration/energy drift too large   4.04902848594588     
+   12.8149751747718       split increased to            2  itime      849553 
   itsplit           1
 Velocities reset to random values, time           169999.80
 Momenta zeroed out, time           169999.80
-Momenta zeroed out, time           170199.80
- acceleration/energy drift too large   5.36063865516026     
-   13.6136401762132       split increased to            2  itime      851180 
+ acceleration/energy drift too large   4.95254845150536     
+   10.8408491012356       split increased to            2  itime      850086 
   itsplit           1
- acceleration/energy drift too large   6.33631361339020     
-   16.1154371880509       split increased to            2  itime      851599 
+ acceleration/energy drift too large   4.77513192034010     
+   10.0820373688209       split increased to            2  itime      850660 
   itsplit           1
-Momenta zeroed out, time           170399.80
- acceleration/energy drift too large   3.54564921229135     
-   10.0375488676427       split increased to            2  itime      852058 
+ acceleration/energy drift too large   4.21102223547585     
+   15.3368799511833       split increased to            2  itime      850688 
   itsplit           1
-Momenta zeroed out, time           170599.80
- acceleration/energy drift too large   5.22599812719542     
-   16.5262036311214       split increased to            2  itime      853340 
+ acceleration/energy drift too large   4.48645129201727     
+   11.3271031174851       split increased to            2  itime      850903 
   itsplit           1
- acceleration/energy drift too large   4.91821476780936     
-   14.1832720806803       split increased to            2  itime      853559 
+Momenta zeroed out, time           170199.80
+ acceleration/energy drift too large   5.15773952139074     
+   10.6921308827805       split increased to            2  itime      851029 
   itsplit           1
-Momenta zeroed out, time           170799.80
- acceleration/energy drift too large   5.80800777325911     
-   16.7204161105644       split increased to            2  itime      854258 
+ acceleration/energy drift too large   2.67850424012901     
+   14.4584225566985       split increased to            2  itime      851342 
   itsplit           1
- acceleration/energy drift too large   6.10079827300908     
-   10.7516945224441       split increased to            2  itime      854703 
+ acceleration/energy drift too large   2.08908143903957     
+   13.7649971463482       split increased to            2  itime      851431 
   itsplit           1
- acceleration/energy drift too large   7.50190056712713     
-   26.2789550126280       split increased to            2  itime      854748 
+ acceleration/energy drift too large   3.49320988882348     
+   10.1162451473438       split increased to            2  itime      851432 
   itsplit           1
- acceleration/energy drift too large   2.78880421866152     
-   10.4167009407505       split increased to            2  itime      854810 
+ acceleration/energy drift too large   3.22424410738473     
+   20.6598497218561       split increased to            2  itime      851763 
   itsplit           1
- acceleration/energy drift too large   3.25837276536430     
-   12.3612097942527       split increased to            2  itime      854818 
+Momenta zeroed out, time           17 acceleration/energy drift too large   5.79317585061411     
+   22.1367895565680       split increased to            2  itime      846987 
   itsplit           1
- acceleration/energy drift too large   2.92005559119137     
-   10.8121476507363       split increased to            2  itime      854820 
+Momenta Momenta zeroed out, time           17Momenta  acceleration/energy drift too large   6.65613013962219     
+   22.0800248870111       split increased to            2  itime      853722 
   itsplit           1
- acceleration/energy drift too large   6.10544685542605     
-   10.7794404235115       split increased to            2  itime      854981 
+Momenta zeroed out, time           170799.80
+ acceleration/energy drift too large   5.62313961256661     
+   13.5104091890711       split increased to            2  itime      854506 
   itsplit           1
-Momenta zeroed out, time           170999.80
- acceleration/energy drift too large   3.26878795855611     
-   19.6853266471107       split increased to            2  itime      855302 
+ acceleration/energy drift too large   7.08547883388088     
+   14.3821320335187       split increased to            2  itime      854527 
   itsplit           1
- acceleration/energy drift too large   5.05773842496207     
-   13.1414508988836       split increased to            2  itime      855543 
+Momenta zeroed out, time           17Velocities reset to random values, time           169999.80
+Momenta zeroed out, time           169999.80
+Momenta zeroed out, time           170199.80
+ acceleration/energy drift too large   3.63395961231045     
+   14.5055916348021       split increased to     acceleration/energy drift too large   10.3695461227Momenta zeroed out, time           170399.80
+ acceleration/energy drift too large   3.33499213347350     
+    acceleration/energy drift too large   6.01325482004648     
+   23.1546639849966       split increased to            2  itime      857954 
   itsplit           1
- acceleration/energy drift too large   5.96670705925875     
-   13.5206292276591       split increased to            2  itime      855689 
+Momenta zeroed out, time           171599.80
+Momenta zeroed out, time           171799.80
+ acceleration/energy drift too large   6.20196938842Momenta zeroed out, time           170799.80
+ acceleration/energy drift too large   8.51992783996759     
+    acceleration/energy drift too large   14.1328403702154     
+   103.541772616440       split increased to            2  itime      859665 
   itsplit           1
- acceleration/energy drift too large   6.06686570515352     
-   11.8321481065958       split increased to            2  itime      855777 
+Velocities reset to random values, time           171999.80
+Momenta zeroed out, time           17Momenta zeroed out, time           170999.80
+ acceleration/energy drift too large   5.49061762194664     
+   18.7946830950938       split increased to            2  itime      855926 
   itsplit           1
 Momenta zeroed out, time           171199.80
-Momenta zeroed out, time           171399.80
- acceleration/energy drift too large   5.45835004922351     
-   13.8878174640598       split increased to            2  itime      857105 
+ acceleration/energy drift too large   7.90272796456250     
+   23.4307638839261       split increased to            2  itime      856415 
   itsplit           1
- acceleration/energy drift too large   3.81329294453585     
-   33.1112601036571       split increased to            2  itime      857190 
-  itsplit           1
-Momenta zeroed out, time           171599.80
- acceleration/energy drift too large   4.83297225451614     
-   18.3771065601113       split increased to            2  itime      858607 
+Momenta zeroed out, time           171399.80
+ acceleration/energy drift too large   6.03657777552353     
+   13.3341469907650       split increased to            2  itim acceleration/energy drift too large  acceleration/energy drift too large   5.42575311488070     
+   37.9304499771961       split increased to            2  itime      857467 
   itsplit           1
+ acceleration/energy drift too large   1.07598924991023     
+   14.9057393192851       split increased to            2  itimMomenta zeroed out, time           17Momenta zeroed out, time           171599.80
 Momenta zeroed out, time           171799.80
- acceleration/energy drift too large   2.70584369553859     
-   15.6192518717523       split increased to            2  itime      859224 
-  itsplit           1
- acceleration/energy drift too large   6.02115249944451     
-   14.1442365708588       split increased to            2  itime      859908 
-  itsplit           1
 Velocities reset to random values, time           171999.80
 Momenta zeroed out, time           171999.80
- acceleration/energy drift too large   3.03345155992603     
-   19.4298823086051       split increased to            2  itime      860894 
+ acceleration/energy drift too large   9.25160546456148     
+   40.0761510854810       split increased to            2  itime      860655 
   itsplit           1
 Momenta zeroed out, time           172199.80
- acceleration/energy drift too large   9.86424734221254     
-   13.0330752030178       split increased to            2  itime      861652 
+ acceleration/energy drift too large   3.12455730754425     
+   14.8835912698928       split increased to            2  itime      861664 
   itsplit           1
 Momenta zeroed out, time           172399.80
- acceleration/energy drift too large   5.38469589870693     
-   23.4674774089548       split increased to            2  itime      862975 
-  itsplit           1
-Momenta zeroed out, time           172599.80
- acceleration/energy drift too large   4.04523739140965     
-   13.1633147701117       split increased to            2  itime      863194 
-  itsplit           1
- acceleration/energy drift too large   10.9984345072875     
-   59.0552551057578       split increased to            2  itime      863250 
+ acceleration/energy drift too large   8.75274643525122     
+   34.6605264701539       split increased to            2  itime      862401 
   itsplit           1
- acceleration/energy drift too large   7.82958686131553     
-   30.8632581456413       split increased to            2  itime      863503 
-  itsplit           1
- acceleration/energy drift too large   5.41478919046365     
-   11.1220407973122       split increased to            2  itime      863504 
+ acceleration/energy drift too large   4.78112239254782     
+   21.7154391228016       split increased to            2  itime      862774 
   itsplit           1
+Momenta zeroed out, time           172599.80
 Momenta zeroed out, time           172799.80
- acceleration/energy drift too large   6.05993194831119     
-   21.1298470098116       split increased to            2  itime      864627 
-  itsplit           1
- acceleration/energy drift too large   2.31358968912254     
-   12.7024055401716       split increased to            2  itime      864815 
+ acceleration/energy drift too large   4.68417320962137     
+   11.1908083823964       split increased to            2  itime      864489 
   itsplit           1
 Momenta zeroed out, time           172999.80
- acceleration/energy drift too large   6.37278300244792     
-   15.7883842323819       split increased to            2  itime      865116 
+ acceleration/energy drift too large   8.65766281473334     
+   29.7169490125007       split increased to            2  itime      865096 
+  itsplit           1
+ acceleration/energy drift too large   5.02301884936396     
+   17.5179932682011       split increased to            2  itime      865195 
+  itsplit           1
+ acceleration/energy drift too large   4.70311524472504     
+   26.5367339890190       split increased to            2  itime      865791 
   itsplit           1
- acceleration/energy drift too large   3.42804296145941     
-   16.4711394620834       split increased to            2  itime      865170 
+ acceleration/energy drift too large   6.05551848773634     
+   21.5381274538483       split increased to            2  itime      865895 
   itsplit           1
 Momenta zeroed out, time           173199.80
- acceleration/energy drift too large   3.20633263139700     
-   13.7226203738842       split increased to            2  itime      866264 
+ acceleration/energy drift too large   11.6689709069753     
+   50.6324225978560       split increased to            2  itime      866318 
   itsplit           1
-Momenta zeroed out, time           173399.80
-Momenta zeroed out, time           173599.80
- acceleration/energy drift too large   9.25847607927208     
-   39.3440767739030       split increased to            2  itime      868300 
+ acceleration/energy drift too large   5.89474744311234     
+   11.9006253171515       split increased to            2  itime      866754 
   itsplit           1
- acceleration/energy drift too large   2.41919291783036     
-   11.0458491454114       split increased to            4  itime      868300 
+ acceleration/energy drift too large   4.98577158071882     
+   15.5222810174426       split increased to            2  itime      866769 
   itsplit           1
- acceleration/energy drift too large   5.23896997610145     
-   30.4459562179444       split increased to            2  itime      868768 
+Momenta zeroed out, time           173399.80
+ acceleration/energy drift too large   15.1993360325968     
+   85.3038969523152       split increased to            2  itime      867862 
   itsplit           1
- acceleration/energy drift too large   8.27360332657072     
-   32.9103318973609       split increased to            2  itime      868820 
+Momenta zeroed out, time           173599.80
+ acceleration/energy drift too large   7.45638340788638     
+   23.6255079687175       split increased to            2  itime      868128 
   itsplit           1
 Momenta zeroed out, time           173799.80
- acceleration/energy drift too large   5.04419266195088     
-   12.5805605620217       split increased to            2  itime      869665 
+ acceleration/energy drift too large   4.60288866755946     
+   21.1307720129385       split increased to            2  itime      869178 
   itsplit           1
- acceleration/energy drift too large   5.50258131091797     
-   15.8568202332224       split increased to            2  itime      869792 
+ acceleration/energy drift too large   4.09559188626980     
+   13.2573487861605       split increased to            2  itime      869282 
   itsplit           1
 Velocities reset to random values, time           173999.80
 Momenta zeroed out, time           173999.80
- acceleration/energy drift too large   4.31462796542035     
-   21.3493341192485       split increased to            2  itime      870087 
-  itsplit           1
- acceleration/energy drift too large   3.81482586350134     
-   15.7734869602203       split increased to            2  itime      870515 
-  itsplit           1
- acceleration/energy drift too large   2.62394211231919     
-   11.7035728437293       split increased to            2  itime      870516 
+ acceleration/energy drift too large   2.92456466629466     
+   15.8253991479108       split increased to            2  itime      870355 
   itsplit           1
- acceleration/energy drift too large   6.06350520373877     
-   12.9082503142030       split increased to            2  itime      870828 
+ acceleration/energy drift too large   5.28742201204099     
+   32.2472935894448       split increased to            2  itime      870622 
   itsplit           1
 Momenta zeroed out, time           174199.80
- acceleration/energy drift too large   14.2789094740216     
-   87.5123148241852       split increased to            2  itime      871324 
-  itsplit           1
- acceleration/energy drift too large   3.25946424254110     
-   18.5132742510678       split increased to            4  itime      871324 
-  itsplit           2
- acceleration/energy drift too large   9.84037843691240     
-   44.4361326439401       split increased to            2  itime      871908 
-  itsplit           1
 Momenta zeroed out, time           174399.80
- acceleration/energy drift too large   4.63963483493214     
-   26.3865022255866       split increased to            2  itime      872500 
-  itsplit           1
- acceleration/energy drift too large   3.27083150537385     
-   13.9209513621356       split increased to            2  itime      872501 
+ acceleration/energy drift too large   5.89669614660290     
+   24.2558688957682       split increased to            2  itime      872014 
   itsplit           1
 Momenta zeroed out, time           174599.80
- acceleration/energy drift too large   2.69979125605518     
-   17.0824028414673       split increased to            2  itime      873402 
+ acceleration/energy drift too large   2.49593333354335     
+   13.4865151954941       split increased to            2  itime      873569 
+  itsplit           1
+ acceleration/energy drift too large   3.95602604353229     
+   22.1454665397757       split increased to            2  itime      873730 
+  itsplit           1
+ acceleration/energy drift too large   3.74594786696355     
+   18.1442400410266       split increased to            2  itime      873798 
   itsplit           1
 Momenta zeroed out, time           174799.80
+ acceleration/energy drift too large   6.36693021247069     
+   14.4881458368869       split increased to            2  itime      874679 
+  itsplit           1
 Momenta zeroed out, time           174999.80
- acceleration/energy drift too large   5.06508663559461     
-   10.9565315415275       split increased to            2  itime      875796 
+Momenta zeroed out, time           175199.80
+ acceleration/energy drift too large   7.78099521187994     
+   31.7984914066845       split increased to            2  itime      876365 
   itsplit           1
- acceleration/energy drift too large   5.77698942695030     
-   12.1373864340674       split increased to            2  itime      875977 
+ acceleration/energy drift too large   2.40648967649685     
+   12.1453686648717       split increased to            2  itime      876627 
+  itsplit           1
+ acceleration/energy drift too large   3.37273631509421     
+   17.6983400029946       split increased to            2  itime      876724 
   itsplit           1
-Momenta zeroed out, time           175199.80
 Momenta zeroed out, time           175399.80
+ acceleration/energy drift too large   5.10679736087410     
+   20.8603772316414       split increased to            2  itime      877378 
+  itsplit           1
+ acceleration/energy drift too large   3.73688742995545     
+   11.4488777930724       split increased to            2  itime      877946 
+  itsplit           1
 Momenta zeroed out, time           175599.80
- acceleration/energy drift too large   4.12318827562174     
-   13.4285052197208       split increased to            2  itime      878271 
+ acceleration/energy drift too large   5.25096256374798     
+   17.5288682462243       split increased to            2  itime      878281 
+  itsplit           1
+ acceleration/energy drift too large   6.47141608324563     
+   16.0153577526190       split increased to            2  itime      878592 
+  itsplit           1
+ acceleration/energy drift too large   5.81705935052110     
+   17.8263550740411       split increased to            2  itime      878746 
   itsplit           1
- acceleration/energy drift too large   4.10462406589415     
-   19.8953805309864       split increased to            2  itime      878914 
+ acceleration/energy drift too large   3.32402335077352     
+   10.6807234636932       split increased to            2  itime      878747 
   itsplit           1
 Momenta zeroed out, time           175799.80
-Velocities reset to random values, time           175999.80
-Momenta zeroed out, time           175999.80
- acceleration/energy drift too large   9.54994539357701     
-   36.4897822533520       split increased to            2  itime      880166 
+ acceleration/energy drift too large   9.11223390550560     
+   37.9487052242806       split increased to            2  itime      879149 
   itsplit           1
- acceleration/energy drift too large   6.16679271290548     
-   26.1089849282637       split increased to            2  itime      880712 
+ acceleration/energy drift too large   5.03536096802371     
+   28.7260716186641       split increased to            2  itime      879311 
   itsplit           1
- acceleration/energy drift too large   4.45733590209519     
-   10.8374776798827       split increased to            2  itime      880935 
+ acceleration/energy drift too large   4.46671092226156     
+   17.5011175471153       split increased to            2  itime      879573 
   itsplit           1
-Momenta zeroed out, time           176199.80
- acceleration/energy drift too large   6.38592612931853     
-   32.5961549703337       split increased to            2  itime      881087 
+ acceleration/energy drift too large   4.97712618038329     
+   18.0766277832245       split increased to            2  itime      879587 
   itsplit           1
- acceleration/energy drift too large   3.71361900731792     
-   13.7560604189825       split increased to            2  itime      881609 
+Velocities reset to random values, time           175999.80
+Momenta zeroed out, time           175999.80
+ acceleration/energy drift too large   5.47988451408864     
+   11.1290600543291       split increased to            2  itime      880790 
+  itsplit           1
+ acceleration/energy drift too large   5.85176599728414     
+   15.1439659327440       split increased to            2  itime      880925 
   itsplit           1
+Momenta zeroed out, time           176199.80
 Momenta zeroed out, time           176399.80
 Momenta zeroed out, time           176599.80
- acceleration/energy drift too large   2.10460766559686     
-   15.3904915630271       split increased to            2  itime      883207 
-  itsplit           1
- acceleration/energy drift too large   7.71043689205411     
-   34.5272840192686       split increased to            2  itime      883658 
+ acceleration/energy drift too large   5.80374604454142     
+   14.2521904090180       split increased to            2  itime      883548 
   itsplit           1
 Momenta zeroed out, time           176799.80
- acceleration/energy drift too large   3.13651147789312     
-   16.8084241900723       split increased to            2  itime      884503 
-  itsplit           1
- acceleration/energy drift too large   3.00951133698960     
-   15.1677302345429       split increased to            2  itime      884598 
-  itsplit           1
 Momenta zeroed out, time           176999.80
- acceleration/energy drift too large   5.00277409384825     
-   12.5599194053532       split increased to            2  itime      885366 
-  itsplit           1
- acceleration/energy drift too large   5.70778430774098     
-   34.2103864504798       split increased to            2  itime      885423 
-  itsplit           1
- acceleration/energy drift too large   2.15960655540514     
-   10.1505444946387       split increased to            2  itime      885619 
+ acceleration/energy drift too large   4.98964220462507     
+   10.5297763390022       split increased to            2  itime      885198 
   itsplit           1
 Momenta zeroed out, time           177199.80
- acceleration/energy drift too large   3.04967834930710     
-   10.4391668967503       split increased to            2  itime      886317 
-  itsplit           1
- acceleration/energy drift too large   4.46663510262687     
-   29.3900593617679       split increased to            2  itime      886736 
+ acceleration/energy drift too large   4.61206290451387     
+   13.5015048348845       split increased to            2  itime      886290 
   itsplit           1
 Momenta zeroed out, time           177399.80
- acceleration/energy drift too large   5.74261262087057     
-   14.3118850980131       split increased to            2  itime      887130 
+ acceleration/energy drift too large   4.67127926328296     
+   24.1698115145938       split increased to            2  itime      887998 
   itsplit           1
 Momenta zeroed out, time           177599.80
-Momenta zeroed out, time           177799.80
- acceleration/energy drift too large   4.31029474493804     
-   11.6324030478794       split increased to            2  itime      889288 
+ acceleration/energy drift too large   4.11204175873946     
+   20.8945283741437       split increased to            2  itime      888568 
+  itsplit           1
+ acceleration/energy drift too large   6.71489043192848     
+   16.6539547040958       split increased to            2  itime      888950 
   itsplit           1
- acceleration/energy drift too large   6.42584051210195     
-   13.5873999598793       split increased to            2  itime      889426 
+Momenta zeroed out, time           177799.80
+ acceleration/energy drift too large   4.19921130579646     
+   13.7801911092059       split increased to            2  itime      889406 
   itsplit           1
- acceleration/energy drift too large   7.22404994587308     
-   27.0812291771152       split increased to            2  itime      889512 
+ acceleration/energy drift too large   2.94926187438454     
+   27.8396761002320       split increased to            2  itime      889559 
   itsplit           1
 Velocities reset to random values, time           177999.80
 Momenta zeroed out, time           177999.80
+ acceleration/energy drift too large   4.96434733398489     
+   16.7261214594262       split increased to            2  itime      890363 
+  itsplit           1
 Momenta zeroed out, time           178199.80
+ acceleration/energy drift too large   3.89576224312814     
+   12.0515530203392       split increased to            2  itime      891801 
+  itsplit           1
 Momenta zeroed out, time           178399.80
+ acceleration/energy drift too large   4.80108554383477     
+   10.1283880001463       split increased to            2  itime      892769 
+  itsplit           1
 Momenta zeroed out, time           178599.80
- acceleration/energy drift too large   6.12905442417664     
-   34.5584895899047       split increased to            2  itime      893654 
+ acceleration/energy drift too large   10.7764244932172     
+   51.6398372573981       split increased to            2  itime      893718 
   itsplit           1
 Momenta zeroed out, time           178799.80
- acceleration/energy drift too large   7.35238034205808     
-   12.5618351177621       split increased to            2  itime      894380 
+ acceleration/energy drift too large   3.94782471111586     
+   33.8584082914263       split increased to            2  itime      894029 
+  itsplit           1
+ acceleration/energy drift too large   5.94932863755722     
+   10.6989995491757       split increased to            2  itime      894476 
   itsplit           1
- acceleration/energy drift too large   5.65903732556062     
-   24.2614863094553       split increased to            2  itime      894711 
+ acceleration/energy drift too large   4.76854873475625     
+   16.6892108067992       split increased to            2  itime      894906 
   itsplit           1
 Momenta zeroed out, time           178999.80
- acceleration/energy drift too large   4.63135461189140     
-   11.8032150615223       split increased to            2  itime      895224 
+ acceleration/energy drift too large   13.3381860621799     
+   67.0074268508940       split increased to            2  itime      895699 
   itsplit           1
- acceleration/energy drift too large   4.92031261548426     
-   10.0262475215274       split increased to            2  itime      895342 
+Momenta zeroed out, time           179199.80
+ acceleration/energy drift too large   5.58951450737864     
+   17.4447089269472       split increased to            2  itime      896340 
   itsplit           1
- acceleration/energy drift too large   6.01192460643631     
-   12.2066584775302       split increased to            2  itime      895423 
+ acceleration/energy drift too large   10.7072448000711     
+   67.3959505798617       split increased to            2  itime      896521 
   itsplit           1
-Momenta zeroed out, time           179199.80
- acceleration/energy drift too large   4.83337132532843     
-   13.9306951275102       split increased to            2  itime      896063 
+ acceleration/energy drift too large   7.23938712755006     
+   36.0775076215443       split increased to            2  itime      896676 
   itsplit           1
 Momenta zeroed out, time           179399.80
-Momenta zeroed out, time           179599.80
- acceleration/energy drift too large   3.48991848931588     
-   10.3403899165691       split increased to            2  itime      898002 
-  itsplit           1
- acceleration/energy drift too large   2.21243960952515     
-   19.6764533909672       split increased to            2  itime      898274 
+ acceleration/energy drift too large   3.15191550964807     
+   18.7715246886037       split increased to            2  itime      897529 
   itsplit           1
+Momenta zeroed out, time           179599.80
 Momenta zeroed out, time           179799.80
- acceleration/energy drift too large   3.37530580266917     
-   11.3772554898312       split increased to            2  itime      899982 
-  itsplit           1
 Velocities reset to random values, time           179999.80
 Momenta zeroed out, time           179999.80
- acceleration/energy drift too large   6.33419538119236     
-   11.3561366749934       split increased to            2  itime      900856 
+ acceleration/energy drift too large   2.69115859762087     
+   10.3836885146599       split increased to            2  itime      900988 
   itsplit           1
 Momenta zeroed out, time           180199.80
-Momenta zeroed out, time           180399.80
- acceleration/energy drift too large   2.15584319037221     
-   12.2139725081663       split increased to            2  itime      902283 
+ acceleration/energy drift too large   4.74947667972210     
+   10.4252676932302       split increased to            2  itime      901172 
   itsplit           1
- acceleration/energy drift too large   5.14963997127614     
-   23.8359042445221       split increased to            2  itime      902601 
+ acceleration/energy drift too large   7.19444350648840     
+   17.2532817843771       split increased to            2  itime      901783 
   itsplit           1
- acceleration/energy drift too large   5.04412140896242     
-   17.0865179250226       split increased to            2  itime      902925 
+Momenta zeroed out, time           180399.80
+ acceleration/energy drift too large   4.61374725995446     
+   20.6679508598374       split increased to            2  itime      902077 
   itsplit           1
- acceleration/energy drift too large   3.93092402104868     
-   15.5248430948577       split increased to            2  itime      902926 
+ acceleration/energy drift too large   3.44684152630767     
+   12.5642904641108       split increased to            2  itime      902167 
   itsplit           1
- acceleration/energy drift too large   7.39740372630365     
-   35.9193452375870       split increased to            2  itime      902964 
+ acceleration/energy drift too large   7.47189774845573     
+   17.6966676269959       split increased to            2  itime      902498 
   itsplit           1
-Momenta zeroed out, time           180599.80
- acceleration/energy drift too large   11.5412296136428     
-   61.2923554476309       split increased to            2  itime      903113 
+ acceleration/energy drift too large   4.04421977556455     
+   14.9344227655890       split increased to            2  itime      902590 
   itsplit           1
-Momenta zeroed out, time           180799.80
- acceleration/energy drift too large   4.62581819301266     
-   12.1786551867024       split increased to            2  itime      904124 
+Momenta zeroed out, time           180599.80
+ acceleration/energy drift too large   5.81612504163006     
+   13.7584651674695       split increased to            2  itime      903183 
   itsplit           1
- acceleration/energy drift too large   3.49710180310252     
-   10.3793751174918       split increased to            2  itime      904489 
+ acceleration/energy drift too large   6.69118337125843     
+   20.1616988343559       split increased to            2  itime      903927 
   itsplit           1
-Momenta zeroed out, time           180999.80
- acceleration/energy drift too large   5.06397853535065     
-   22.6831431017470       split increased to            2  itime      905043 
+Momenta zeroed out, time           180799.80
+ acceleration/energy drift too large   2.61305535223824     
+   23.1023882263079       split increased to            2  itime      904610 
   itsplit           1
- acceleration/energy drift too large   4.72275526746408     
-   10.1490243298605       split increased to            2  itime      905071 
+ acceleration/energy drift too large   2.01797774541346     
+   10.0385076104787       split increased to            2  itime      904616 
   itsplit           1
- acceleration/energy drift too large   5.53945970243764     
-   28.6386277724039       split increased to            2  itime      905609 
+ acceleration/energy drift too large   2.10337249484045     
+   10.9279511731893       split increased to            2  itime      904617 
   itsplit           1
+Momenta zeroed out, time           180999.80
 Momenta zeroed out, time           181199.80
- acceleration/energy drift too large   11.3529856724296     
-   60.2107054258323       split increased to            2  itime      906104 
+ acceleration/energy drift too large   2.81199740579510     
+   12.5387034405642       split increased to            2  itime      906156 
   itsplit           1
 Momenta zeroed out, time           181399.80
- acceleration/energy drift too large   5.26734078222548     
-   14.8769994617878       split increased to            2  itime      907342 
+ acceleration/energy drift too large   5.03317408563981     
+   14.3744285181035       split increased to            2  itime      907814 
   itsplit           1
-Momenta zeroed out, time           181599.80
- acceleration/energy drift too large   4.55317600398861     
-   12.7875116951409       split increased to            2  itime      908085 
+ acceleration/energy drift too large   6.91848331395741     
+   28.4467695014591       split increased to            2  itime      907940 
   itsplit           1
- acceleration/energy drift too large   6.40198951277982     
-   21.7709330966114       split increased to            2  itime      908197 
+ acceleration/energy drift too large   7.50411936118694     
+   25.2122865869966       split increased to            2  itime      907943 
   itsplit           1
- acceleration/energy drift too large   3.28097090280466     
-   10.1605361663054       split increased to            2  itime      908947 
+Momenta zeroed out, time           181599.80
+ acceleration/energy drift too large   4.04337028249555     
+   16.2972875576431       split increased to            2  itime      908148 
   itsplit           1
 Momenta zeroed out, time           181799.80
- acceleration/energy drift too large   3.75719431957679     
-   10.0858312639152       split increased to            2  itime      909088 
-  itsplit           1
- acceleration/energy drift too large   6.08163987296349     
-   30.7906585545060       split increased to            2  itime      909420 
+ acceleration/energy drift too large   8.71615149788674     
+   40.0339232603932       split increased to            2  itime      909026 
   itsplit           1
 Velocities reset to random values, time           181999.80
 Momenta zeroed out, time           181999.80
- acceleration/energy drift too large   4.35705015557926     
-   11.2859696669304       split increased to            2  itime      910832 
+ acceleration/energy drift too large   4.93717336308780     
+   15.1486417502719       split increased to            2  itime      910329 
   itsplit           1
 Momenta zeroed out, time           182199.80
- acceleration/energy drift too large   4.50572302460707     
-   11.5986144082367       split increased to            2  itime      911196 
+ acceleration/energy drift too large   3.39083857262796     
+   14.7768357718580       split increased to            2  itime      911224 
   itsplit           1
- acceleration/energy drift too large   4.05852346579156     
-   12.5861041161328       split increased to            2  itime      911299 
+ acceleration/energy drift too large   5.05718314173017     
+   19.7086209186235       split increased to            2  itime      911965 
   itsplit           1
 Momenta zeroed out, time           182399.80
- acceleration/energy drift too large   4.96609561783053     
-   10.3611720815477       split increased to            2  itime      912816 
-  itsplit           1
- acceleration/energy drift too large   4.28045960871153     
-   12.6289305041979       split increased to            2  itime      912856 
-  itsplit           1
 Momenta zeroed out, time           182599.80
+ acceleration/energy drift too large   3.43419770860838     
+   13.5944527998231       split increased to            2  itime      913716 
+  itsplit           1
 Momenta zeroed out, time           182799.80
 Momenta zeroed out, time           182999.80
- acceleration/energy drift too large   4.63665559731667     
-   25.3500025355089       split increased to            2  itime      915366 
+ acceleration/energy drift too large   5.78359181724339     
+   12.4777831745896       split increased to            2  itime      915227 
   itsplit           1
 Momenta zeroed out, time           183199.80
- acceleration/energy drift too large   3.98521612971629     
-   12.1102170235833       split increased to            2  itime      916650 
-  itsplit           1
- acceleration/energy drift too large   4.34220297833831     
-   12.1982723608311       split increased to            2  itime      916861 
+ acceleration/energy drift too large   5.78782353902469     
+   38.2545869708314       split increased to            2  itime      916449 
   itsplit           1
+ acceleration/energy drift too large   1.49597617508054     
+   10.1513716457253       split increased to            4  itime      916449 
+  itsplit           2
 Momenta zeroed out, time           183399.80
- acceleration/energy drift too large   3.63963061189628     
-   11.6336999354714       split increased to            2  itime      917332 
+ acceleration/energy drift too large   1.88363626283723     
+   10.9826617861290       split increased to            2  itime      917157 
   itsplit           1
- acceleration/energy drift too large   7.35140749835330     
-   13.6107972135902       split increased to            2  itime      917610 
+ acceleration/energy drift too large   5.99065914636296     
+   15.9500855728197       split increased to            2  itime      917763 
   itsplit           1
 Momenta zeroed out, time           183599.80
- acceleration/energy drift too large   5.33118083119353     
-   14.0358165906739       split increased to            2  itime      918543 
+ acceleration/energy drift too large   3.33873545586320     
+   12.0392307182051       split increased to            2  itime      918591 
   itsplit           1
 Momenta zeroed out, time           183799.80
- acceleration/energy drift too large   7.21256301316808     
-   26.9900337376221       split increased to            2  itime      919687 
-  itsplit           1
- acceleration/energy drift too large   2.52826099888575     
-   10.3958213407692       split increased to            2  itime      919688 
+ acceleration/energy drift too large   2.94366059493328     
+   20.7647749669756       split increased to            2  itime      919899 
   itsplit           1
 Velocities reset to random values, time           183999.80
 Momenta zeroed out, time           183999.80
- acceleration/energy drift too large   6.37849090807269     
-   23.4757528761352       split increased to            2  itime      920342 
-  itsplit           1
 Momenta zeroed out, time           184199.80
- acceleration/energy drift too large   4.18634643749537     
-   10.9236790328096       split increased to            2  itime      921730 
+ acceleration/energy drift too large   9.05843034571026     
+   37.3291830963853       split increased to            2  itime      921331 
+  itsplit           1
+ acceleration/energy drift too large   5.50647742585092     
+   14.6493309987174       split increased to            2  itime      921440 
   itsplit           1
 Momenta zeroed out, time           184399.80
- acceleration/energy drift too large   5.51818080188978     
-   11.4828854210782       split increased to            2  itime      922382 
+ acceleration/energy drift too large   5.19256494630187     
+   15.7044839296101       split increased to            2  itime      922465 
   itsplit           1
-Momenta zeroed out, time           184599.80
- acceleration/energy drift too large   3.93398662057110     
-   28.0122110491179       split increased to            2  itime      923025 
+ acceleration/energy drift too large   2.60508004684106     
+   12.6583209249741       split increased to            2  itime      922665 
   itsplit           1
- acceleration/energy drift too large   9.56110899318639     
-   37.4004378867533       split increased to            2  itime      923082 
+ acceleration/energy drift too large   4.53904267241527     
+   15.9598300776482       split increased to            2  itime      922666 
   itsplit           1
- acceleration/energy drift too large   6.29307561256655     
-   19.6827467056978       split increased to            2  itime      923420 
+Momenta zeroed out, time           184599.80
+ acceleration/energy drift too large   6.61539150468168     
+   22.7087145716259       split increased to            2  itime      923473 
   itsplit           1
- acceleration/energy drift too large   5.63465594128910     
-   14.7980773733599       split increased to            2  itime      923789 
+ acceleration/energy drift too large   2.62399984118818     
+   14.0667052036641       split increased to            2  itime      923666 
   itsplit           1
 Momenta zeroed out, time           184799.80
- acceleration/energy drift too large   4.38210348704572     
-   12.3771706501374       split increased to            2  itime      924670 
-  itsplit           1
- acceleration/energy drift too large   2.09533449082817     
-   16.0396096079777       split increased to            2  itime      924746 
-  itsplit           1
 Momenta zeroed out, time           184999.80
- acceleration/energy drift too large   7.32796619475435     
-   22.7904773592132       split increased to            2  itime      925638 
+ acceleration/energy drift too large   4.75705853015647     
+   10.8542721913639       split increased to            2  itime      925196 
   itsplit           1
- acceleration/energy drift too large   10.2296469847052     
-   52.4828411049028       split increased to            2  itime      925676 
+ acceleration/energy drift too large   3.98305497700272     
+   21.2775087648157       split increased to            2  itime      925489 
   itsplit           1
 Momenta zeroed out, time           185199.80
- acceleration/energy drift too large   3.65522755205002     
-   11.9426561093893       split increased to            2  itime      926215 
+ acceleration/energy drift too large   5.16982400719342     
+   22.0634180908271       split increased to            2  itime      926261 
+  itsplit           1
+ acceleration/energy drift too large   4.15049602872046     
+   10.0724971797769       split increased to            2  itime      926262 
+  itsplit           1
+ acceleration/energy drift too large   7.27265154871573     
+   62.0019296927364       split increased to            2  itime      926517 
   itsplit           1
 Momenta zeroed out, time           185399.80
- acceleration/energy drift too large   6.42484042389109     
-   13.3164989739174       split increased to            2  itime      927633 
+ acceleration/energy drift too large   6.26353885042794     
+   12.9166970498801       split increased to            2  itime      927938 
   itsplit           1
 Momenta zeroed out, time           185599.80
- acceleration/energy drift too large   4.33401487634029     
-   24.1703279261566       split increased to            2  itime      928025 
-  itsplit           1
- acceleration/energy drift too large   6.57742143512250     
-   14.6737841235558       split increased to            2  itime      928874 
+ acceleration/energy drift too large   5.03994656054605     
+   12.3114890719995       split increased to            2  itime      928608 
   itsplit           1
- acceleration/energy drift too large   5.04495319161780     
-   21.1049298615358       split increased to            2  itime      928889 
+ acceleration/energy drift too large   4.43351473861390     
+   11.2502296979568       split increased to            2  itime      928609 
   itsplit           1
 Momenta zeroed out, time           185799.80
- acceleration/energy drift too large   4.56660622566379     
-   10.1089082506107       split increased to            2  itime      929165 
+ acceleration/energy drift too large   7.35596359128002     
+   27.2823774234728       split increased to            2  itime      929335 
   itsplit           1
- acceleration/energy drift too large   6.73714263322960     
-   12.9287205586696       split increased to            2  itime      929174 
+ acceleration/energy drift too large   11.0433149435662     
+   55.8954227549954       split increased to            2  itime      929349 
   itsplit           1
+ acceleration/energy drift too large   2.74421032693044     
+   15.1051554394518       split increased to            4  itime      929349 
+  itsplit           2
 Velocities reset to random values, time           185999.80
 Momenta zeroed out, time           185999.80
- acceleration/energy drift too large   3.36564682287254     
-   11.3757533775102       split increased to            2  itime      930518 
+Momenta zeroed out, time           186199.80
+ acceleration/energy drift too large   5.30020838392816     
+   17.0208308251988       split increased to            2  itime      931682 
   itsplit           1
- acceleration/energMomenta zeroed out, time           186999.80
- acceleration/energy drift too large   5.72147636614491     
-   13.4371882912150       split increased to            2  itime      935559 
-  iMomenta zeroed out,Momenta zeroed out, time   acceleration/energy drift too large   5.60860431887822     
-   13.2169375386446       split increased to            2  itime      932577 
+ acceleration/energy drift too large   5.07713117582672     
+   13.8029395363325       split increased to            2  itime      931742 
   itsplit           1
- acceleration/energy drift too large   3.06487700819738     
-   18.6677058864102       split increased to            2  itime      932897 
+Momenta zeroed out, time           186399.80
+ acceleration/energy drift too large   5.22517677801383     
+   23.4205500864939       split increased to            2  itime      932213 
   itsplit           1
- acceleration/energMomenta zeroed out, time           187399.80
- acceleration/energy drift too large   3.91522648091202     
-   11.1716385365444       split increased to            2  itime      937271 
-  iMomenta zeroed out,Momenta zeroed out, time   acceleration/energMomenta zeroed out, time           187799.80
- acceleration/energy drift too large   6.81918195952031     
-   11.0209305122672       split increased to            2  itime      939321 
+ acceleration/energy drift too large   5.44301118948815     
+   15.7365312894783       split increased to            2  itime      932226 
   itsplit           1
-Velocities reset to random values, time           187999.80
-Momenta zeroed out, time           187999.80
- acceleration/energy drift too large   6.92075259194409     
-   41.6319721138175       split increased to            2  itime      940753 
+ acceleration/energy drift too large   11.4024178134374     
+   34.6042433736559       split increased to            2  itime      932594 
   itsplit           1
- acceleration/energy drift too large   4.95540273187797     
-   22.9029343522781       split increased to            2  itime      940858 
+ acceleration/energy drift too large   5.99138371290874     
+   15.2387695378724       split increased to            2  itime      932713 
   itsplit           1
- acceleration/energy drift too large   2.69834827819957     
-   19.7060268930974       split increased to            2  itime      940859 
+ acceleration/energy drift too large   8.34760650674624     
+   37.4648824633917       split increased to            2  itime      932892 
   itsplit           1
-Momenta zeroed out, time           188199.80
- acceleration/energy drift too large   2.75943264581636     
-   16.7333970651241       split increased to            2  itime      941066 
+Momenta zeroed out, time           186599.80
+ acceleration/energy drift too large   5.29193646119078     
+   11.0707396313445       split increased to            2  itime      933134 
+  itsplit           1
+ acceleration/energy drift too large   3.02529925210351     
+   12.9328178392580       split increased to            2  itime      933135 
   itsplit           1
- acceleration/energy drift too large   5.32545499734857     
-   26.5814638549426  Momenta zeroed out, time           187599.80
- acceleration/energy drift too large   12.7585499512102     
-   57.9056659336186       split increased to            2  itime      938082 
+ acceleration/energy drift too large   9.89489211121124     
+   25.4026267865143       split increased to            2  itime      933245 
   itsplit           1
- acceleration/energy drift too large   6.99288162027808     
-   23.5618335581383       split increased to            2  itime      938213 
+Momenta zeroed out, time           186799.80
+ acceleration/energy drift too large   12.3262885017676     
+   66.8209472631266       split increased to            2  itime      934272 
   itsplit           1
- acceleration/energy drift too large   12.1157824066599     
-   62.5866112611159       split increased to            2  itime      938594 
+Momenta zeroed out, time           186999.80
+Momenta zeroed out, time           187199.80
+ acceleration/energy drift too large   4.60793128215044     
+   26.1130076681782       split increased to            2  itime      936174 
   itsplit           1
- acceleration/energy drift too large   6.83989178028174     
-   15.526806560441 acceleration/energy drift too large   4.76980090036322     
-   23.2180707399668  Momenta zeroed out, time           187799.80
- acceleration/energy drift too large   4.93586626009417     
-   12.119928614900 acceleration/energy drift too large   6.45789698814904     
-   18.5208658997093       split increased to            2  itime      943509 
+Momenta zeroed out, time           187399.80
+ acceleration/energy drift too large   2.87947537724818     
+   19.6090169724203       split increased to            2  itime      937234 
   itsplit           1
- acceleration/energy drift too large   2.75327555079396     
-   12.1910705492080   acceleration/energy drift too large   5.90934636602827     
-   46.315811878273 acceleration/energy drift too large   6.19892341672757     
-   10.6779031314020       split increased to            2  itime      943838 
+ acceleration/energy drift too large   3.44788275514330     
+   10.6116289456823       split increased to            2  itime      937869 
+  itsplit           1
+Momenta zeroed out, time           187599.80
+Momenta zeroed out, time           187799.80
+ acceleration/energy drift too large   4.59071741605364     
+   10.0714482559053       split increased to            2  itime      939983 
+  itsplit           1
+Velocities reset to random values, time           187999.80
+Momenta zeroed out, time           187999.80
+ acceleration/energy drift too large   5.52702184921599     
+   12.9534777311663       split increased to            2  itime      940944 
+  itsplit           1
+Momenta zeroed out, time           188199.80
+ acceleration/energy drift too large   5.81800261535098     
+   14.5532041879733       split increased to            2  itime      941259 
+  itsplit           1
+ acceleration/energy drift too large   14.9625262720138     
+   64.2788015684128       split increased to            2  itime      941654 
+  itsplit           1
+ acceleration/energy drift too large   5.58862590409960     
+   14.6228877284935       split increased to            2  itime      941655 
   itsplit           1
-Momenta zeroed out, time  Momenta zeroed out, time           188199.80
 Momenta zeroed out, time           188399.80
- acceleration/energy drift too large   4.11416428609605     
-   19.0412075930408       split increased to            2  itime      942265 
+ acceleration/energy drift too large   16.3324529515672     
+   75.6241150212886       split increased to            2  itime      942443 
+  itsplit           1
+ acceleration/energy drift too large   6.60914947634877     
+   22.8598760436313       split increased to            2  itime      942467 
   itsplit           1
 Momenta zeroed out, time           188599.80
- acceleration/energy drift too large   4.04344402915993     
-   17.7331480053150       split increased to            2  itime      943672 
+ acceleration/energy drift too large   4.95695273680577     
+   31.2554157170044       split increased to            2  itime      943378 
+  itsplit           1
+ acceleration/energy drift too large   5.01375181118986     
+   24.0649948221456       split increased to            2  itime      943574 
+  itsplit           1
+ acceleration/energy drift too large   11.5555878930668     
+   43.3493668489283       split increased to            2  itime      943924 
+  itsplit           1
+ acceleration/energy drift too large   4.65079887234238     
+   10.5569136118552       split increased to            2  itime      943925 
   itsplit           1
 Momenta zeroed out, time           188799.80
-Momenta zeroed out, time           188999.80
- acceleration/energy drift too large   3.37237653954635     
-   10.7696158217558       split increased to            2  itime      945007 
+ acceleration/energy drift too large   11.8903804575401     
+   50.3277232950858       split increased to            2  itime      944414 
   itsplit           1
- acceleration/energy drift too large   8.87732484340897     
-   22.9628904477650       split increased to            2  itime      945067 
+ acceleration/energy drift too large   2.50269226162370     
+   10.5681813331406       split increased to            4  itime      944414 
+  itsplit           2
+ acceleration/energy drift too large   4.74471476699034     
+   11.3821380977993       split increased to            2  itime      944666 
   itsplit           1
- acceleration/energy drift too large   9.04513013087074     
-   41.3480357766442       split increased to            2  itime      945976 
+Momenta zeroed out, time           188999.80
+ acceleration/energy drift too large   3.12925539502096     
+   25.3553573368433       split increased to            2  itime      945384 
   itsplit           1
-Momenta zeroed out, time           189199.80
- acceleration/energy drift too large   3.30108774186166     
-   11.8232448745900       split increased to            2  itime      946436 
+ acceleration/energy drift too large   4.67674725522437     
+   12.3413371909430       split increased to            2  itime      945728 
   itsplit           1
- acceleration/energy drift too large   3.35630730628574     
-   17.0056095735262       split increased to            2  itime      946466 
+Momenta zeroed out, time           189199.80
+ acceleration/energy drift too large   3.48106557333240     
+   10.3679094932316       split increased to            2  itime      946999 
   itsplit           1
 Momenta zeroed out, time           189399.80
- acceleration/energy drift too large   4.64728679442862     
-   15.4575498491515       split increased to            2  itime      947463 
+ acceleration/energy drift too large   12.4221849720910     
+   52.2894800746147       split increased to            2  itime      947268 
+  itsplit           1
+ acceleration/energy drift too large   2.97025969051733     
+   11.3867165372250       split increased to            4  itime      947268 
+  itsplit           2
+ acceleration/energy drift too large   3.99003862430670     
+   35.5689968224595       split increased to            2  itime      947562 
   itsplit           1
- acceleration/energy drift too large   4.70507562684346     
-   23.2095450539329       split increased to            2  itime      947936 
+ acceleration/energy drift too large   13.3483576644723     
+   63.1301239928080       split increased to            2  itime      947809 
   itsplit           1
 Momenta zeroed out, time           189599.80
- acceleration/energy drift too large   5.54284737782996     
-   19.6579733658994       split increased to            2  itime      948016 
+ acceleration/energy drift too large   5.71840618267853     
+   40.2179704223081       split increased to            2  itime      948895 
   itsplit           1
 Momenta zeroed out, time           189799.80
-Velocities reset to random values, time           189999.80
-Momenta zeroed out, time           189999.80
- acceleration/energy drift too large   5.09445677691361     
-   15.2795242692758       split increased to            2  itime      950255 
+ acceleration/energy drift too large   5.64402555611632     
+   14.4883941855049       split increased to            2  itime      949395 
   itsplit           1
- acceleration/energy drift too large   16.8862252925299     
-   128.884170072485       split increased to            2  itime      950987 
+ acceleration/energy drift too large   6.40789017643580     
+   27.5357728764840       split increased to            2  itime      949678 
   itsplit           1
+Velocities reset to random values, time           189999.80
+Momenta zeroed out, time           189999.80
 Momenta zeroed out, time           190199.80
-Momenta zeroed out, time           190399.80
- acceleration/energy drift too large   4.86321324352139     
-   14.9955081655863       split increased to            2  itime      952371 
+ acceleration/energy drift too large   3.63415922843677     
+   16.2505913204109       split increased to            2  itime      951949 
   itsplit           1
- acceleration/energy drift too large   5.69846292697393     
-   11.7867268008928       split increased to            2  itime      952928 
+Momenta zeroed out, time           190399.80
+ acceleration/energy drift too large   2.84455694745293     
+   17.1098776566104       split increased to            2  itime      952882 
   itsplit           1
 Momenta zeroed out, time           190599.80
- acceleration/energy drift too large   7.43608692054043     
-   15.0489748315214       split increased to            2  itime      953237 
+Momenta zeroed out, time           190799.80
+ acceleration/energy drift too large   15.7364897624656     
+   118.863681223153       split increased to            2  itime      954122 
+  itsplit           1
+ acceleration/energy drift too large   4.70183132406742     
+   16.2860246418532       split increased to            2  itime      954257 
+  itsplit           1
+ acceleration/energy drift too large   3.57070775284030     
+   14.6328504748172       split increased to            2  itime      954725 
+  itsplit           1
+Momenta zeroed out, time           190999.80
+ acceleration/energy drift too large   10.1736839556095     
+   64.2989698015661       split increased to            2  itime      955320 
+  itsplit           1
+Momenta zeroed out, time           191199.80
+ acceleration/energy drift too large   5.09856830685748     
+   12.2054846747490       split increased to            2  itime      956244 
   itsplit           1
- acceleration/energy drift too large   5.43885354921589     
-   14.1426830849902       split increased to            2  itime      953407 
+ acceleration/energy drift too large   2.68648880899515     
+   12.4499022120599       split increased to            2  itime      956289 
   itsplit           1
- acceleration/energy drift too large   5.34962370978718     
-   29.4751700788667       split increased to            2  itime      953834 
+Momenta zeroed out, time           191399.80
+ acceleration/energy drift too large   4.41570110755104     
+   10.8743004605601       split increased to            2  itime      957510 
   itsplit           1
- acceleration/energ acceleration/energy drift too large   3.97237808243992     
-   16.2773549618852       split increased to            2  itime      957780 
-  iMomenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out, acceleration/energy drift acceleration/energy drift too large   3.31646831657263     
-   11.9039410117310       split increased to            2  itime      956320 
+ acceleration/energy drift too large   5.67010965883686     
+   33.8053586733871       split increased to            2  itime      957611 
   itsplit           1
- acceleration/energy drift too large   4.49533446311984     
-   21.488160528624 acceleration/energy drift too large   5.38414219561191     
-   26.4352159273356       split increased to            2  itime   acceleration/energy drift too large   3.89859566759486     
-   21.9791300661267       split increased to            2  itime      957802 
+ acceleration/energy drift too large   5.28014171716818     
+   10.2454790855133       split increased to            2  itime      957683 
   itsplit           1
- acceleration/energy drift too large   2.72523683040342     
-   14.8148155754106       split increased to            2  itime      957840 
+Momenta zeroed out, time           191599.80
+ acceleration/energy drift too large   1.85708527235138     
+   10.2488812732808       split increased to            2  itime      958479 
   itsplit           1
- acceleration/energy drift too large   4.96832375725433     
-   13.090697993701 acceleration/energy drift too large   4.60193826323601     
-   13.7348068614570       split increased to            2  itime   acceleration/energy drift too large   6.66253462506404     
-   20.570304029426 acceleration/energy drift too large   5.92951079044894     
-   16.3634341837448  Momenta zeroed out, time           191799.80
- acceleration/energy drift too large   2.64544735067624     
-   10.6395262260571       split increased to            2  itime      959754 
+Momenta zeroed out, time           191799.80
+ acceleration/energy drift too large   3.37153988925644     
+   10.7139523814053       split increased to            2  itime      959039 
   itsplit           1
- acceleration/energy drift too large   9.44315544696384     
-   41.765942651386 acceleration/energy drift too large   5.65801390253849     
-   20.4756616096342       split increased to            2  itime      963563 
+ acceleration/energy drift too large   4.51623160244755     
+   13.0694624538012       split increased to            2  itime      959367 
   itsplit           1
-Momenta zeroed out, time  Momenta zeroed out, time           192199.80
+ acceleration/energy drift too large   8.94134598652016     
+   19.6972299697395       split increased to            2  itime      959710 
+  itsplit           1
+ acceleration/energy drift too large   6.58132566746518     
+   34.0829401600262       split increased to            2  itime      959802 
+  itsplit           1
+Velocities reset to random values, time           191999.80
+Momenta zeroed out, time           191999.80
+ acceleration/energy drift too large   8.00715832422270     
+   14.1395993204207       split increased to            2  itime      960540 
+  itsplit           1
+ acceleration/energy drift too large   2.39110229388259     
+   13.4302460867845       split increased to            2  itime      960838 
+  itsplit           1
+Momenta zeroed out, time           192199.80
 Momenta zeroed out, time           192399.80
+ acceleration/energy drift too large   5.50615096600499     
+   18.2143079231936       split increased to            2  itime      962869 
+  itsplit           1
 Momenta zeroed out, time           192599.80
 Momenta zeroed out, time           192799.80
-Momenta zeroed out, time           192999.80
- acceleration/energy drift too large   9.06806748977124     
-   23.2343184434549       split increased to            2  itime      965808 
-  itsplit           1
- acceleration/energy drift too large   7.84946278878137     
-   33.2711825211968       split increased to            2  itime      965996 
+ acceleration/energy drift too large   6.23111954687507     
+   23.2891505280479       split increased to            2  itime      964233 
   itsplit           1
+Momenta zeroed out, time           192999.80
 Momenta zeroed out, time           193199.80
- acceleration/energy drift too large   5.00581753395694     
-   34.6563975458967       split increased to            2  itime      966063 
+ acceleration/energy drift too large   6.00078938818723     
+   21.3694377738486       split increased to            2  itime      966417 
   itsplit           1
- acceleration/energy drift too large   7.50040902283547     
-   77.4521722173567       split increased to            2  itime      966199 
+ acceleration/energy drift too large   3.19978743333991     
+   10.8122135980653       split increased to            2  itime      966728 
   itsplit           1
- acceleration/energy drift too large   1.87726144234057     
-   19.1058122324199       split increased to            4  itime      966199 
-  itsplit           2
 Momenta zeroed out, time           193399.80
+ acceleration/energy drift too large   2.20125389811472     
+   14.6176921566468       split increased to            2  itime      967024 
+  itsplit           1
+ acceleration/energy drift too large   3.83596871418027     
+   13.9714962617176       split increased to            2  itime      967867 
+  itsplit           1
+ acceleration/energy drift too large   4.90083760576285     
+   28.0714411215193       split increased to            2  itime      967881 
+  itsplit           1
+ acceleration/energy drift too large   5.04025161980243     
+   12.8255953508499       split increased to            2  itime      967933 
+  itsplit           1
+ acceleration/energy drift too large   3.18186478572414     
+   10.0843766679583       split increased to            2  itime      967973 
+  itsplit           1
 Momenta zeroed out, time           193599.80
- acceleration/energy drift too large   6.43024968212869     
-   12.4464001819574       split increased to            2  itime      968789 
+ acceleration/energy drift too large   4.07891563505756     
+   16.1933897798482       split increased to            2  itime      968023 
+  itsplit           1
+ acceleration/energy drift too large   3.75349352736810     
+   22.4950620046509       split increased to            2  itime      968600 
+  itsplit           1
+ acceleration/energy drift too large   2.64050382276924     
+   16.0163377104019       split increased to            2  itime      968696 
   itsplit           1
 Momenta zeroed out, time           193799.80
 Velocities reset to random values, time           193999.80
 Momenta zeroed out, time           193999.80
- acceleration/energy drift too large   4.32546972245940     
-   18.1311176016618       split increased to            2  itime      970044 
+ acceleration/energy drift too large   5.13104118789197     
+   36.0289277685511       split increased to            2  itime      970026 
   itsplit           1
-Momenta zeroed out, time           194199.80
- acceleration/energy drift too large   4.59292055748771     
-   10.7095511731698       split increased to            2  itime      971686 
+ acceleration/energy drift too large   4.68154204511155     
+   12.3051844653772       split increased to            2  itime      970667 
   itsplit           1
- acceleration/energy drift too large   4.09346318661243     
-   11.2452749160718       split increased to            2  itime      971964 
+ acceleration/energy drift too large   2.47310141654275     
+   16.8434980410703       split increased to            2  itime      970847 
   itsplit           1
+Momenta zeroed out, time           194199.80
 Momenta zeroed out, time           194399.80
- acceleration/energy drift too large   6.11973463790244     
-   24.6891223169401       split increased to            2  itime      972439 
+ acceleration/energy drift too large   9.54225264745065     
+   43.1625637164760       split increased to            2  itime      972660 
+  itsplit           1
+ acceleration/energy drift too large   3.83915139931140     
+   11.8690978115594       split increased to            2  itime      972661 
   itsplit           1
 Momenta zeroed out, time           194599.80
- acceleration/energy drift too large   11.6819733312600     
-   75.9712401832968       split increased to            2  itime      973944 
+ acceleration/energy drift too large   3.70951211850097     
+   23.8633063306126       split increased to            2  itime      973498 
   itsplit           1
- acceleration/energy drift too large   2.44671889797482     
-   11.0919171474423       split increased to            2  itime      973945 
+ acceleration/energy drift too large   4.49425101605962     
+   13.0323555614709       split increased to            2  itime      973514 
   itsplit           1
 Momenta zeroed out, time           194799.80
+ acceleration/energy drift too large   7.01606446936654     
+   21.1929019507652       split increased to            2  itime      974170 
+  itsplit           1
 Momenta zeroed out, time           194999.80
- acceleration/energy drift too large   3.99570502852789     
-   12.9948956276383       split increased to            2  itime      975292 
+ acceleration/energy drift too large   4.10571055713520     
+   26.1517600775385       split increased to            2  itime      975608 
+  itsplit           1
+ acceleration/energy drift too large   2.88956166482073     
+   10.1785810955011       split increased to            2  itime      975655 
+  itsplit           1
+ acceleration/energy drift too large   4.51567496139731     
+   22.3841411051139       split increased to            2  itime      975979 
   itsplit           1
 Momenta zeroed out, time           195199.80
- acceleration/energy drift too large   10.6852441452841     
-   43.6231657517162       split increased to            2  itime      976212 
+ acceleration/energy drift too large   3.06442642245134     
+   13.0739157455303       split increased to            2  itime      976542 
   itsplit           1
- acceleration/energy drift too large   2.35950521599345     
-   11.2172358114790       split increased to            4  itime      976212 
-  itsplit           2
- acceleration/energy drift too large   7.00156731110027     
-   18.8352269086030       split increased to            2  itime      976424 
+ acceleration/energy drift too large   3.69039127754788     
+   11.5973841190236       split increased to            2  itime      976607 
   itsplit           1
- acceleration/energy drift too large   5.55230673730389     
-   35.7415700812389       split increased to            2  itime      976824 
+ acceleration/energy drift too large   3.42490463034189     
+   26.9886233900923       split increased to            2  itime      976973 
   itsplit           1
 Momenta zeroed out, time           195399.80
- acceleration/energy drift too large   6.23475482074541     
-   46.7971178939029       split increased to            2  itime      977477 
-  itsplit           1
- acceleration/energy drift too large   9.04061407901680     
-   29.4253435440728       split increased to            2  itime      977551 
+ acceleration/energy drift too large   4.73676718459052     
+   21.5836935503554       split increased to            2  itime      977186 
   itsplit           1
- acceleration/energy drift too large   7.37086982206154     
-   22.4321268583601       split increased to            2  itime      977967 
+ acceleration/energy drift too large   10.5070098179761     
+   57.7652857823167       split increased to            2  itime      977301 
   itsplit           1
 Momenta zeroed out, time           195599.80
- acceleration/energy drift too large   2.25377943783644     
-   10.7243983703321       split increased to            2  itime      978117 
-  itsplit           1
- acceleration/energy drift too large   4.51462398444627     
-   12.7469667546236       split increased to            2  itime      978228 
-  itsplit           1
- acceleration/energy drift too large   5.01349113907848     
-   26.8608685699119       split increased to            2  itime      978400 
-  itsplit           1
- acceleration/energy drift too large   6.80297229117564     
-   17.4545399231858       split increased to            2  itime      978462 
+ acceleration/energy drift too large   11.7425822464101     
+   66.0298688089682       split increased to            2  itime      978116 
   itsplit           1
- acceleration/energy drift too large   3.94062794520281     
-   17.2722080912516       split increased to            2  itime      978665 
+ acceleration/energy drift too large   2.93348460163706     
+   15.3847917419924       split increased to            4  itime      978116 
   itsplit           1
- acceleration/energy drift too large   4.81215513310067     
-   14.4749325929729       split increased to            2  itime      978699 
-  itsplit           1
- acceleration/energy drift too large   5.64244401925093     
-   24.2812631880006       split increased to            2  itime      978891 
+ acceleration/energy drift too large   3.82697522831296     
+   13.6089101455242       split increased to            2  itime      978882 
   itsplit           1
 Momenta zeroed out, time           195799.80
- acceleration/energy drift too large   4.75144964073074     
-   19.0262725034283       split increased to            2  itime      979045 
-  itsplit           1
- acceleration/energy drift too large   1.99412389728480     
-   11.5602911110384       split increased to            2  itime      979298 
-  itsplit           1
 Velocities reset to random values, time           195999.80
 Momenta zeroed out, time           195999.80
- acceleration/energy drift too large   5.03755053453835     
-   11.4359733790366       split increased to            2  itime      980915 
+ acceleration/energy drift too large   3.33740778904609     
+   12.4607025314315       split increased to            2  itime      980163 
+  itsplit           1
+ acceleration/energy drift too large   4.94225328187484     
+   10.4592521698621       split increased to            2  itime      980681 
   itsplit           1
 Momenta zeroed out, time           196199.80
+ acceleration/energy drift too large   2.03851571760072     
+   10.1065910455785       split increased to            2  itime      981702 
+  itsplit           1
 Momenta zeroed out, time           196399.80
- acceleration/energy drift too large   4.96366033531864     
-   13.6996318117142       split increased to            2  itime      982282 
+ acceleration/energy drift too large   4.31251636602111     
+   20.7437299612407       split increased to            2  itime      982742 
   itsplit           1
 Momenta zeroed out, time           196599.80
- acceleration/energy drift too large   8.84635184979238     
-   31.1817508905273       split increased to            2  itime      983660 
-  itsplit           1
 Momenta zeroed out, time           196799.80
- acceleration/energy drift too large   7.17509126522235     
-   49.9395600358616       split increased to            2  itime      984463 
+ acceleration/energy drift too large   4.98594536071082     
+   14.1451987155283       split increased to            2  itime      984524 
   itsplit           1
 Momenta zeroed out, time           196999.80
- acceleration/energy drift too large   4.13434169470231     
-   13.4220958170776       split increased to            2  itime      985074 
+ acceleration/energy drift too large   5.24513579557543     
+   20.0783711071267       split increased to            2  itime      985429 
   itsplit           1
- acceleration/energy drift too large   10.5166767176306     
-   56.9759317821006       spl acceleration/energy drift too large   2.34351800124292     
-   11.4909315315077       split increased to            2  itime      987693 
-  itsplit           1
-Momenta zeroed out, time           197599.80
- acceleration/energy drift too large   3.76601121271389     
-   14.2991494027425       split increased to            2  itime      988229 
+Momenta zeroed out, time           197199.80
+ acceleration/energy drift too large   4.42387500299100     
+   19.4514654747140       split increased to            2  itime      986083 
   itsplit           1
- acceleration/energy drift too large   3.82869405636985     
-   12.0645070858949       split increased to            2  itime      988234 
+ acceleration/energy drift too large   1.69124278524352     
+   10.0876110964354       split increased to            2  itime      986084 
   itsplit           1
- acceleration/energy drift too large   7.11429905740657     
-   22.3486877212264       split increased to            2  itime      988289 
+ acceleration/energy drift too large   7.95214508649913     
+   18.2612942917592       split increased to            2  itime      986197 
   itsplit           1
- acceleration/energy drift too large   4.51972435535045     
-   13.3384234408289       split increased to            2  itime      988292 
+ acceleration/energy drift too large   4.40374627356768     
+   24.4746025366912       split increased to            2  itime      986858 
   itsplit           1
- acceleration/energy drift too large   5.13186608561540     
-   13.7342913537981       split increased to           Momenta zeroed out, time           197599.80
- acceleration/energy drift too large   6.44297953629283     
-   20.7959780287786       split increased to            2  itime      988320 
+Momenta zeroed out, time           197399.80
+Momenta zeroed out, time           197599.80
+ acceleration/energy drift too large   3.64349226546632     
+   10.0501004277248       split increased to            2  itime      988117 
   itsplit           1
 Momenta zeroed out, time           197799.80
- acceleration/energy drift too large   4.43069010470873     
-   12.7435368085645       split increased to            2  itime      989578 
+ acceleration/energy drift too large   2.35758154628100     
+   10.5209293271685       split increased to            2  itime      989053 
+  itsplit           1
+ acceleration/energy drift too large   2.80545890501222     
+   22.5322063006547       split increased to            2  itime      989131 
   itsplit           1
 Velocities reset to random values, time           197999.80
 Momenta zeroed out, time           197999.80
-Momenta zeroed out, time           198199.80
- acceleration/energy drift too large   10.6588690859357     
-   81.0612954628771       split increased to            2  itime      991002 
+ acceleration/energy drift too large   3.22472694094715     
+   18.8708188153886       split increased to            2  itime      990535 
   itsplit           1
- acceleration/energy drift too large   13.3839340831687     
-   70.3046134259940       split increased to            2  itime      991456 
+ acceleration/energy drift too large   8.87456752208714     
+   38.1436955356029       split increased to            2  itime      990938 
   itsplit           1
+Momenta zeroed out, time           198199.80
 Momenta zeroed out, time           198399.80
- acceleration/energy drift too large   4.61007642782181     
-   10.6637606723730       split increased to            2  itime      992712 
+ acceleration/energy drift too large   4.65164948148503     
+   11.1169475355005       split increased to            2  itime      992686 
+  itsplit           1
+ acceleration/energy drift too large   5.77954251093474     
+   33.8904716298588       split increased to            2  itime      992799 
   itsplit           1
 Momenta zeroed out, time           198599.80
 Momenta zeroed out, time           198799.80
-Momenta zeroed out, time           198999.80
-Momenta zeroed out, time           199199.80
- acceleration/energy drift too large   9.17973060618728     
-   38.5453483432012       split increased to            2  itime      996354 
+ acceleration/energy drift too large   4.33347970630346     
+   12.7213393723561       split increased to            2  itime      994234 
   itsplit           1
-Momenta zeroed out, time           199399.80
- acceleration/energy drift too large   4.27961895849881     
-   14.0879565482862       split increased to            2  itime      997556 
-  itsplit           1
-Momenta zeroed out, time           199599.80
- acceleration/energy drift too large   2.36305951692659     
-   13.8168569441252       split increased to            2  itime      998020 
+ acceleration/energy drift too large   9.16553090097647     
+   40.3906963207193       split increased to            2  itime      994534 
   itsplit           1
- acceleration/energy drift too large   2.50182605976131     
-   17.2331789535385       split increased to            2  itime      998170 
+Momenta zeroed out, time           198999.80
+ acceleration/energy drift too large   9.45983737379044     
+   83.9891626118816       split increased to            2  itime      995483 
   itsplit           1
- acceleration/energy drift too large   5.49078735338840     
-   13.8919807954360       split increased to            2  itime      998379 
+Momenta zeroed out, time           199199.80
+ acceleration/energy drift too large   5.86683365615925     
+   18.7605344100918       split increased to            2  itime      996493 
   itsplit           1
- acceleration/energy drift too large   5.43210924614767     
-   40.7119742776104       split increased to            2  itime      998454 
+Momenta zeroed out, time           199399.80
+ acceleration/energy drift too large   3.39583371143962     
+   23.0197352385438       split increased to            2  itime      997173 
   itsplit           1
- acceleration/energy drift too large   1.37455871710174     
-   11.3387763236621       split increased to            4  itime      998454 
+ acceleration/energy drift too large   2.37938217398431     
+   15.4857797430483       split increased to            2  itime      997174 
   itsplit           1
- acceleration/energy drift too large   5.44365655191251     
-   18.4988197424900       split increased to            2  itime      998495 
+ acceleration/energy drift too large   5.73479114500320     
+   14.2675338116545       split increased to            2  itime      997331 
   itsplit           1
- acceleration/energy drift too large   4.05159504000104     
-   12.3275263150554       split increased to            2  itime      998878 
+Momenta zeroed out, time           199599.80
+ acceleration/energy drift too large   4.83932663377102     
+   12.3132607306697       split increased to            2  itime      998208 
   itsplit           1
 Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   5.41355107538355     
-   15.2173956551334       split increased to            2  itime      999444 
+ acceleration/energy drift too large   6.71591574653867     
+   11.3953394614305       split increased to            2  itime      999312 
   itsplit           1
- acceleration/energy drift too large   1.30537891209497     
-   10.5896054612517       split increased to            2  itime      999445 
+ acceleration/energy drift too large   4.28942516308445     
+   11.2255217361487       split increased to            2  itime      999444 
   itsplit           1
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
@@ -5535,162 +5610,178 @@ Momenta zeroed out, time           199999.80
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.10133E+02
+                  MD calculations setup:    1.56250E-02
+           Energy & gradient evaluation:    3.80777E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.28328E+02
+                               MD steps:    4.16840E+02
 
 
 ============================  End of MD calculation  ===========================
-   7.81250E-03
-           Energy & gradient evaluation:    3.09500E+02
+eroed out, time           199999.80
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    1.56250E-02
+           Energy & gradient evaluation:    3.80578E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.28027E+02
+                               MD steps:    4.16195E+02
 
 
 ============================  End of MD calculation  ===========================
-         194999.80
- acceleration/energy drift too large   4.69558591040740     
-   11.9069795640147       split increased to            2  itime      975287 
+gy drift too large   3.11046172157641     
+   13.0882838174922       split increased to            2  itime      980133 
   itsplit           1
- acceleration/energy drift too large   6.83371735375700     
-   17.9095603252752       split increased to            2  itime      975648 
+ acceleration/energy drift too large   4.89158743836187     
+   23.1040827065670       split increased to            2  itime      980627 
   itsplit           1
-Momenta zeroed out, time           195199.80
-Momenta zeroed out, time           195399.80
- acceleration/energy drift too large   5.12037759646051     
-   24.1288718007440       split increased to            2  itime      977263 
+ acceleration/energy drift too large   3.55198909257321     
+   14.4181408997276       split increased to            2  itime      980691 
   itsplit           1
- acceleration/energy drift too large   3.15969650273464     
-   10.9217440810535       split increased to            2  itime      977290 
+ acceleration/energy drift too large   2.52627300756646     
+   10.2277726071735       split increased to            2  itime      980694 
   itsplit           1
- acceleration/energy drift too large   3.65907225323641     
-   16.2962577403857       split increased to            2  itime      977474 
+ acceleration/energy drift too large   4.73037152498579     
+   17.7350388381627       split increased to            2  itime      980879 
   itsplit           1
- acceleration/energy drift too large   8.25193794126763     
-   39.4884818034570       split increased to            2  itime      977606 
+Momenta zeroed out, time           196199.80
+ acceleration/energy drift too large   6.87671662069307     
+   20.3206679416254       split increased to            2  itime      981105 
   itsplit           1
-Momenta zeroed out, time           195599.80
-Momenta zeroed out, time           195799.80
- acceleration/energy drift too large   4.27551299290571     
-   12.6544913791505       split increased to            2  itime      979312 
+ acceleration/energy drift too large   6.96929599450814     
+   44.5272769623800       split increased to            2  itime      981461 
   itsplit           1
-Velocities reset to random values, time           195999.80
-Momenta zeroed out, time           195999.80
-Momenta zeroed out, time           196199.80
- acceleration/energy drift too large   2.62236048571330     
-   17.1892491619200       split increased to            2  itime      981295 
+ acceleration/energy drift too large   6.45806111022391     
+   56.3106155303385       split increased to            2  itime      981726 
+  itsplit           1
+ acceleration/energy drift too large   4.45438326647409     
+   25.7629082293156       split increased to            2  itime      981833 
   itsplit           1
 Momenta zeroed out, time           196399.80
- acceleration/energy drift too large   1.97267096116682     
-   10.1445976032020       split increased to            2  itime      982189 
+ acceleration/energy drift too large   4.79978317235055     
+   14.8819591717279       split increased to            2  itime      982774 
+  itsplit           1
+ acceleration/energy drift too large   1.71882703237692     
+   14.0522393834478       split increased to            2  itime      982776 
+  itsplit           1
+ acceleration/energy drift too large   4.47328166847240     
+   11.0351125041126       split increased to            2  itime      982788 
+  itsplit           1
+ acceleration/energy drift too large   4.11154036706572     
+   13.7221785280063       split increased to            2  itime      982793 
+  itsplit           1
+ acceleration/energy drift too large   3.75603928103061     
+   10.1838000379748       split increased to            2  itime      982800 
   itsplit           1
 Momenta zeroed out, time           196599.80
- acceleration/energy drift too large   7.02573691237466     
-   11.3111429053584       split increased to            2  itime      983271 
+ acceleration/energy drift too large   4.90222842571891     
+   26.1564327150446       split increased to            2  itime      983077 
+  itsplit           1
+ acceleration/energy drift too large   6.44893607950223     
+   38.3667265500138       split increased to            2  itime      983138 
   itsplit           1
- acceleration/energy drift too large   7.01152489778519     
-   16.0211605589940       split increased to            2  itime      983792 
+ acceleration/energy drift too large   5.06273341983475     
+   20.4922913966929       split increased to            2  itime      983190 
   itsplit           1
 Momenta zeroed out, time           196799.80
- acceleration/energy drift too large   4.61814123234931     
-   12.1369681720135       split increased to            2  itime      984074 
+ acceleration/energy drift too large   4.98482827614853     
+   14.3362635704805       split increased to            2  itime      984244 
   itsplit           1
- acceleration/energy drift too large   2.26715667005644     
-   13.5822423112286       split increased to            2  itime      984192 
+ acceleration/energy drift too large   3.17469961770784     
+   11.5764712978414       split increased to            2  itime      984521 
+  itsplit           1
+ acceleration/energy drift too large   6.33487531984510     
+   23.1532295694168       split increased to            2  itime      984720 
   itsplit           1
 Momenta zeroed out, time           196999.80
-Momenta zeroed out, time           197199.80
- acceleration/energy drift too large   2.40513132804405     
-   10.5409628968269       split increased to            2  itime      986311 
+ acceleration/energy drift too large   6.36150239721908     
+   19.5262924594068       split increased to            2  itime      985217 
   itsplit           1
- acceleration/energy drift too large   4.82029469523786     
-   10.0642744105285       split increased to            2  itime      986801 
+ acceleration/energy drift too large   5.08351613691388     
+   16.1154423695880       split increased to            2  itime      985392 
   itsplit           1
-Momenta zeroed out, time           197399.80
- acceleration/energy drift too large   14.8540654736194     
-   67.5950338668522       split increased to            2  itime      987069 
+ acceleration/energy drift too large   5.71361042364937     
+   42.7137377031476       split increased to            2  itime      985596 
   itsplit           1
- acceleration/energy drift too large   3.35606221361014     
-   13.8478021981559       split increased to            4  itime      987069 
-  itsplit           2
- acceleration/energy drift too large   3.64253063490701     
-   10.8396405066243       split increased to            2  itime      987174 
+ acceleration/energy drift too large   10.5870344928269     
+   53.3061107869673       split increased to            2  itime      985947 
   itsplit           1
- acceleration/energy drift too large   7.59179474204829     
-   19.0058051981394       split increased to            2  itime      987859 
+ acceleration/energy drift too large   5.12105263676470     
+   24.1725858836499       split increased to            2  itime      985948 
+  itsplit           1
+Momenta zeroed out, time           197199.80
+ acceleration/energy drift too large   3.06867204424262     
+   10.7621264530993       split increased to            2  itime      986010 
+  itsplit           1
+ acceleration/energy drift too large   4.78891391285883     
+   13.8406311800903       split increased to            2  itime      986257 
+  itsplit           1
+ acceleration/energy drift too large   6.78244553304843     
+   19.3909160388450       split increased to            2  itime      986302 
+  itsplit           1
+Momenta zeroed out, time           197399.80
+ acceleration/energy drift too large   4.41909948873662     
+   10.6369524389039       split increased to            2  itime      987100 
   itsplit           1
 Momenta zeroed out, time           197599.80
- acceleration/energy drift too large   3.36796700754071     
-   10.1766559975682       split increased to            2  itime      988107 
+ acceleration/energy drift too large   8.90012398744210     
+   29.2642212645608       split increased to            2  itime      988387 
   itsplit           1
- acceleration/energy drift too large   6.61346971239204     
-   19.9966230819614       split increased to            2  itime      988199 
+ acceleration/energy drift too large   10.6502605597857     
+   51.1386557186764       split increased to            2  itime      988517 
   itsplit           1
-Momenta zeroed out, time           197799.80
- acceleration/energy drift too large   4.99448869426890     
-   11.7878789223994       split increased to            2  itime      989340 
+ acceleration/energy drift too large   4.29007784339324     
+   23.1924422632029       split increased to            2  itime      988962 
   itsplit           1
- acceleration/energy drift too large   7.62168417244133     
-   33.6973599841808       split increased to            2  itime      989816 
+Momenta zeroed out, time           197799.80
+ acceleration/energy drift too large   4.52815376367147     
+   29.8721177560454       split increased to            2  itime      989018 
   itsplit           1
 Velocities reset to random values, time           197999.80
 Momenta zeroed out, time           197999.80
- acceleration/energy drift too large   6.16607967173047     
-   13.3714944391459       split increased to            2  itime      990798 
+ acceleration/energy drift too large   5.01826472069678     
+   15.6257132523123       split increased to            2  itime      990709 
   itsplit           1
 Momenta zeroed out, time           198199.80
+ acceleration/energy drift too large   11.7052809660523     
+   64.6105472322486       split increased to            2  itime      991549 
+  itsplit           1
 Momenta zeroed out, time           198399.80
-Momenta zeroed out, time           198599.80
- acceleration/energy drift too large   3.58813707641396     
-   16.1913226920392       split increased to            2  itime      993344 
+ acceleration/energy drift too large   8.63995316415405     
+   103.174864797251       split increased to            2  itime      992644 
   itsplit           1
+Momenta zeroed out, time           198599.80
 Momenta zeroed out, time           198799.80
- acceleration/energy drift too large   4.23031294230189     
-   17.2710248327068       split increased to            2  itime      994238 
-  itsplit           1
- acceleration/energy drift too large   6.74599701337770     
-   21.3146611271713       split increased to            2  itime      994662 
-  itsplit           1
- acceleration/energy drift too large   4.81508945006708     
-   12.0823685688612       split increased to            2  itime      994760 
+ acceleration/energy drift too large   7.89940857680238     
+   22.1004170636890       split increased to            2  itime      994131 
   itsplit           1
 Momenta zeroed out, time           198999.80
-Momenta zeroed out, time           199199.80
-Momenta zeroed out, time           199399.80
- acceleration/energy drift too large   2.79025031816820     
-   10.1232192228505       split increased to            2  itime      997081 
+ acceleration/energy drift too large   4.25688708839807     
+   17.6283778918250       split increased to            2  itime      995338 
   itsplit           1
- acceleration/energy drift too large   3.78742591849701     
-   22.1137442113579       split increased to            2  itime      997343 
+ acceleration/energy drift too large   4.16368589944336     
+   12.8081926588765       split increased to            2  itime      995367 
   itsplit           1
- acceleration/energy drift too large   4.12717982142160     
-   21.5524130644397       split increased to            2  itime      997996 
+Momenta zeroed out, time           199199.80
+ acceleration/energy drift too large   5.45662891089447     
+   21.3426987481106       split increased to            2  itime      996513 
   itsplit           1
- acceleration/energy drift too large   2.73512301439209     
-   10.7386908675757       split increased to            2  itime      997997 
+Momenta zeroed out, time           199399.80
+ acceleration/energy drift too large   14.3248353521106     
+   65.1160111226802       split increased to            2  itime      997499 
   itsplit           1
+ acceleration/energy drift too large   3.45842531988010     
+   15.7793964080907       split increased to            4  itime      997499 
+  itsplit           2
 Momenta zeroed out, time           199599.80
- acceleration/energy drift too large   7.27066480627246     
-   14.5926988958656       split increased to            2  itime      998019 
+ acceleration/energy drift too large   2.43197926478851     
+   11.8329179317830       split increased to            2  itime      998221 
   itsplit           1
 Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   4.92126196955127     
-   12.1188046082172       split increased to            2  itime      999285 
-  itsplit           1
- acceleration/energy drift too large   3.38631005032989     
-   11.4407218724045       split increased to            2  itime      999577 
-  itsplit           1
- acceleration/energy drift too large   5.99301612548540     
-   11.1957880528319       split increased to            2  itime      999633 
-  itsplit           1
- acceleration/energy drift too large   3.26205798226750     
-   21.1112980169906       split increased to            2  itime      999693 
-  itsplit           1
- acceleration/energy drift too large   6.59408485639142     
-   11.9562694221615       split increased to            2  itime      999817 
+ acceleration/energy drift too large   7.40516765007349     
+   16.1489882027713       split increased to            2  itime      999572 
   itsplit           1
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
@@ -5698,440 +5789,313 @@ Momenta zeroed out, time           199999.80
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.10156E+02
+                  MD calculations setup:    1.56250E-02
+           Energy & gradient evaluation:    3.79445E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.29133E+02
+                               MD steps:    4.15797E+02
 
 
 ============================  End of MD calculation  ===========================
- acceleration/energy drift too large   10.1786842777894     
-   46.7576410332213       split increased to            2  itime      971049 
-  itsplit           1
- acceleration/energy drift too large   2.43321675724925     
-   10.7117871166271       split increased to            4  itime      971049 
-  itsplit           2
- acceleration/energy drift too large   4.06152838680589     
-   11.9826314510086  Momenta zeroed out, time           193599.80
- acceleration/energy drift too large   3.77104281465313     
-   10.902787343792Momenta zeroed out, time           194599.80
-Momenta zeroed out, time           194799.80
- acceleration/energy drift too large   10.5482544398762     
-   62.0635176580857       split increased to            2  itime      974722 
-  itsplit           1
-Momenta zeroed out, time           194999.80
-Momenta zeroed out, time           195199.80
-Momenta zeroed out, time           195399.80
- acceleration/energy drift too large   3.25148883903749     
-   13.1578193500419       split increased to            2  itime      977689 
-  itsplit           1
-Momenta zeroed out, time           195599.80
-Momenta zeroed out, time           195799.80
- acceleration/energy drift too large   2.73368965119320     
-   11.1420487874300       split increased to            2  itime      979236 
-  itsplit           1
- acceleration/energy drift too large   3.87588048388853     
-   19.2514398290789       split increased to            2  itime      979439 
-  itsplit           1
- acceleration/energy drift too large   7.22343534493130     
-   19.0580666773249       split increased to            2  itime      979568 
-  itsplit           1
-Velocities reset to random values, time           195999.80
-Momenta zeroed out, time           195999.80
- acceleration/energy drift too large   6.10454980510116     
-   17.1048212647806       split increased to            2  itime      980293 
-  itsplit           1
-Momenta zeroed out, time           196199.80
- acceleration/energy drift too large   5.06247145805084     
-   13.7507421634542       split increased to            2  itime      981770 
-  itsplit           1
- acceleration/energy drift too large   3.36260438356351     
-   12.6079161495256       split increased to            2  itime      981832 
+   2  itime      998571 
   itsplit           1
-Momenta zeroed out, time           196399.80
- acceleration/energy drift too large   4.52950401698399     
-   17.2816837666790       split increased to            2  itime      982104 
-  itsplit           1
- acceleration/energy drift too large   3.10819653882091     
-   20.4046859086881       split increased to            2  itime      982829 
+Momenta zeroed out, time           199799.80
+ acceleration/energy drift too large   8.65743951755431     
+   50.1954676743201       split increased to            2  itime      999734 
   itsplit           1
- acceleration/energy drift too large   4.61470876695316     
-   20.8276310463731       split increased to            2  itime      982908 
+ acceleration/energy drift too large   2.72225623425350     
+   11.2921690699820       split increased to            4  itime      999734 
   itsplit           1
-Momenta zeroed out, time           196599.80
- acceleration/energy drift too large   5.04103508644578     
-   14.8481626843086       split increased to            2  itime      983572 
+Velocities reset to random values, time           199999.80
+Momenta zeroed out, time           199999.80
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    1.95312E-02
+           Energy & gradient evaluation:    3.76832E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.12594E+02
+
+
+============================  End of MD calculation  ===========================
+itsplit           1
+ acceleration/energy drift too large   3.78112212856241     
+   14.1033947137456       split increased to            2  itime      988983 
   itsplit           1
-Momenta zeroed out, time           196799.80
- acceleration/energy drift too large   2.27719684760826     
-   17.0061577757566       split increased to            2  itime      984267 
+Momenta zeroed out, time           197799.80
+ acceleration/energy drift too large   4.73724509992056     
+   13.5603508724506       split increased to            2  itime      989739 
   itsplit           1
- acceleration/energy drift too large   3.53131459747038     
-   19.7164410738574       split increased to            2  itime      984991 
+Velocities reset to random values, time           197999.80
+Momenta zeroed out, time           197999.80
+ acceleration/energy drift too large   6.38074053967954     
+   18.7717224571994       split increased to            2  itime      990401 
   itsplit           1
-Momenta zeroed out, time           196999.80
-Momenta zeroed out, time           197199.80
- acceleration/energy drift too large   6.36209700533266     
-   24.4231145427023       split increased to            2  itime      986360 
+ acceleration/energy drift too large   5.40595749714713     
+   18.5504435403054       split increased to            2  itime      990924 
   itsplit           1
- acceleration/energy drift too large   7.76661575148519     
-   28.3627855909819       split increased to            2  itime      986605 
+ acceleration/energy drift too large   5.24783456103303     
+   13.2843842169083       split increased to            2  itime      990956 
   itsplit           1
- acceleration/energy drift too large   7.49428625394676     
-   18.7491586231141       split increased to            2  itime      986765 
+Momenta zeroed out, time           198199.80
+ acceleration/energy drift too large   3.06786676444373     
+   20.4323114115113       split increased to            2  itime      991136 
   itsplit           1
-Momenta zeroed out, time           197399.80
- acceleration/energy drift too large   5.87471478936951     
-   25.4728404100841       split increased to            2  itime      987597 
-  i acceleration/energ acceleration/energy drift too large   7.71688781798910     
-   20.9577792033999       split increased to            2  itime      987764 
+ acceleration/energy drift too large   2.22010465950839     
+   10.9585601910449       split increased to            2  itime      991440 
   itsplit           1
-Momenta zeroed out, time           197599.80
-Momenta zeroed out, time           197799.80
-Velocities reset to random values, time           197999.80
-Momenta zeroed out, time           197999.80
- acceleration/energy drift too large   5.49450046993687     
-   31.2915598258360       split increased to            2  itime      990562 
+ acceleration/energy drift too large   3.14845975147263     
+   15.2311868522624       split increased to            2  itime      991846 
   itsplit           1
- acceleration/energy drift too large   12.0989636012990     
-   71.2811509320371       split increased to            2  itime      990871 
-  itsplit           1
-Momenta zeroed out, time           198199.80
 Momenta zeroed out, time           198399.80
- acceleration/energy drift too large   3.70055318705559     
-   30.4357210900394       split increased to            2  itime      992160 
+ acceleration/energy drift too large   4.44325794511996     
+   11.3586354538475       split increased to            2  itime      992873 
   itsplit           1
 Momenta zeroed out, time           198599.80
 Momenta zeroed out, time           198799.80
- acceleration/energy drift too large   3.48965624859399     
-   18.1331088146885       split increased to            2  itime      994478 
-  itsplit           1
- acceleration/energy drift too large   5.06099283266276     
-   10.2193172722706       split increased to            2  itime      994725 
-  itsplit           1
- acceleration/energy drift too large   7.31045039350759     
-   32.7307016964451       split increased to            2  itime      994863 
-  itsplit           1
 Momenta zeroed out, time           198999.80
- acceleration/energy drift too large   10.4228354122825     
-   42.1568953446190       split increased to            2  itime      995038 
+ acceleration/energy drift too large   3.29929747465964     
+   25.0378560320686       split increased to            2  itime      995325 
   itsplit           1
 Momenta zeroed out, time           199199.80
- acceleration/energy drift too large   4.46787991659713     
-   10.0687417846305       split increased to            2  itime      996018 
-  itsplit           1
-Momenta zeroed out, time           199399.80
- acceleration/energy drift too large   5.93974961982382     
-   16.3232861464682       split increased to            2  itime      997205 
-  itsplit           1
-Momenta zeroed out, time           199599.80
- acceleration/energy drift too large   2.56397671143589     
-   20.3015623452405       split increased to            2  itime      998560 
-  itsplit           1
- acceleration/energy drift too large   2.21974007554222     
-   10.1461925712458       split increased to            2  itime      998625 
-  itsplit           1
- acceleration/energy drift too large   5.52760645235833     
-   20.0243731718174       split increased to            2  itime      998640 
-  itsplit           1
- acceleration/energy drift too large   1.85257620490044     
-   10.7273400914019       split increased to            2  itime      998768 
-  itsplit           1
-Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   6.47811246347802     
-   16.4808388069572       split increased to            2  itime      999517 
-  itsplit           1
- acceleration/energy drift too large   2.12286471709123     
-   12.7308307963350       split increased to            2  itime      999518 
+ acceleration/energy drift too large   6.02560769734857     
+   17.2830551005116       split increased to            2  itime      996547 
   itsplit           1
-Velocities reset to random values, time           199999.80
-Momenta zeroed out, time           199999.80
-
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.11238E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.29824 acceleration/energy drift too large   3.18389184027980     
-   24.8829823705052       split increased to            2  itime      995773 
-  itsplit           1
-Momenta zeroed out, time           199199.80
 Momenta zeroed out, time           199399.80
- acceleration/energy drift too large   7.31572170763760     
-   25.5772032618436       split increased to            2  itime      997175 
-  itsplit           1
- acceleration/energy drift too large   4.85335825830500     
-   25.5796907089096       split increased to            2  itime      997513 
+ acceleration/energy drift too large   3.71393049542525     
+   10.7209905824361       split increased to            2  itime      997024 
   itsplit           1
- acceleration/energy drift too large   11.5673368138012     
-   55.7166951829284       split increased to            2  itime      997680 
+ acceleration/energy drift too large   2.68483493993102     
+   12.7509305183323       split increased to            2  itime      997025 
   itsplit           1
- acceleration/energy drift too large   4.71967823597118     
-   28.0799059081904       split increased to            2  itime      997868 
+ acceleration/energy drift too large   4.75070686037886     
+   10.5124708951313       split increased to            2  itime      997212 
   itsplit           1
 Momenta zeroed out, time           199599.80
-Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   4.96419464098664     
-   11.5661326920047       split increased to            2  itime      999326 
-  itsplit           1
- acceleration/energy drift too large   10.3327414032263     
-   45.7725751628240       split increased to            2  itime      999972 
+ acceleration/energy drift too large   4.07343514605506     
+   16.2827752478053       split increased to            2  itime      998635 
   itsplit           1
+Momenta zeroed out, time           199799.80
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.12188E+02
+                  MD calculations setup:    1.95312E-02
+           Energy & gradient evaluation:    3.76684E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.31402E+02
+                               MD steps:    4.12406E+02
 
 
 ============================  End of MD calculation  ===========================
-e      966829 
-  itsplit           1
+zeroed out, time           193199.80
 Momenta zeroed out, time           193399.80
- acceleration/energy drift too large   6.09738018938475     
-   17.6314293360749       split increased to            2  itime      967904 
+ acceleration/energy drift too large   2.31149809107727     
+   10.1391038527733       split increased to            2  itime      967524 
+  itsplit           1
+ acceleration/energy drift too large   4.54753445597374     
+   31.5729010065872       split increased to            2  itime      967619 
+  itsplit           1
+ acceleration/energy drift too large   7.57638957997547     
+   31.3600713201964       split increased to            2  itime      967672 
   itsplit           1
 Momenta zeroed out, time           193599.80
+ acceleration/energy drift too large   9.64748146214997     
+   37.6397707538759       split increased to            2  itime      968338 
+  itsplit           1
 Momenta zeroed out, time           193799.80
- acceleration/energy drift too large   7.98074532860631     
-   24.1276559585278       split increased to            2  itime      969226 
+ acceleration/energy drift too large   10.4849670149119     
+   43.8678700152472       split increased to            2  itime      969396 
   itsplit           1
 Velocities reset to random values, time           193999.80
 Momenta zeroed out, time           193999.80
-Momenta zeroed out, time           194199.80
- acceleration/energy drift too large   4.31774413948208     
-   12.2699214561607       split increased to            2  itime      971221 
+ acceleration/energy drift too large   2.07821105466154     
+   10.2341686734051       split increased to            2  itime      970466 
+  itsplit           1
+ acceleration/energy drift too large   2.10332717410670     
+   11.4540591328623       split increased to            2  itime      970521 
   itsplit           1
- acceleration/energy drift too large   5.95124096939595     
-   17.9484070712339       split increased to            2  itime      971721 
+ acceleration/energy drift too large   5.94373313357277     
+   11.3489182840708       split increased to            2  itime      970533 
   itsplit           1
+Momenta zeroed out, time           194199.80
 Momenta zeroed out, time           194399.80
- acceleration/energy drift too large   3.58516038021098     
-   10.8079783161619       split increased to            2  itime      972216 
+ acceleration/energy drift too large   2.12083456320499     
+   12.5914466729457       split increased to            2  itime      972695 
   itsplit           1
- acceleration/energy drift too large   2.95879406515904     
-   10.4779843150970       split increased to            2  itime      972223 
+Momenta zeroed out, time           194599.80
+ acceleration/energy drift too large   1.91936292116280     
+   13.3291839939795       split increased to            2  itime      973010 
   itsplit           1
- acceleration/energy drift too large   3.79418590921630     
-   10.9552927290145       split increased to            2  itime      972653 
+ acceleration/energy drift too large   5.52998499683266     
+   14.6365128547157       split increased to            2  itime      973310 
+  itsplit           1
+ acceleration/energy drift too large   7.16307693800671     
+   37.4522106100229       split increased to            2  itime      973656 
   itsplit           1
-Momenta zeroed out, time           194599.80
 Momenta zeroed out, time           194799.80
- acceleration/energy drift too large   6.05072514497474     
-   13.3993326236489       split increased to            2  itime      974719 
+ acceleration/energy drift too large   3.02138458507643     
+   18.5073366413343       split increased to            2  itime      974079 
   itsplit           1
- acceleration/energy drift too large   3.13067203763366     
-   19.5939650548585       split increased to            2  itime      974840 
+ acceleration/energy drift too large   7.73178935138830     
+   15.4388172732876       split increased to            2  itime      974114 
   itsplit           1
- acceleration/energy drift too large   3.95837786404561     
-   23.1163106169423       split increased to            2  itime      974861 
+ acceleration/energy drift too large   3.80774356193479     
+   10.4030620991814       split increased to            2  itime      974358 
   itsplit           1
-Momenta zeroed out, time           194999.80
- acceleration/energy drift too large   6.46139451304006     
-   18.2194589056438       split increased to            2  itime      975092 
+ acceleration/energy drift too large   4.47254980625768     
+   12.1350924981101       split increased to            2  itime      974614 
   itsplit           1
- acceleration/energy drift too large   4.37815446368853     
-   14.8881826940714       split increased to            2  itime      975181 
+ acceleration/energy drift too large   6.36221423272000     
+   23.4151301270393       split increased to            2  itime      974879 
+  itsplit           1
+Momenta zeroed out, time           194999.80
+ acceleration/energy drift too large   4.56646880537521     
+   16.0202405025139       split increased to            2  itime      975915 
   itsplit           1
 Momenta zeroed out, time           195199.80
- acceleration/energy drift too large   8.94056274712577     
-   18.3348416591771       split increased to            2  itime      976838 
+ acceleration/energy drift too large   5.34425351310293     
+   15.7797454195153       split increased to            2  itime      976754 
   itsplit           1
 Momenta zeroed out, time           195399.80
- acceleration/energy drift too large   3.17811063228852     
-   10.7870331570982       split increased to            2  itime      977106 
-  itsplit           1
- acceleration/energy drift too large   4.92862625589482     
-   23.8578798752685       split increased to            2  itime      977170 
-  itsplit           1
- acceleration/energy drift too large   4.66969665273974     
-   20.0235150450412       split increased to            2  itime      977310 
-  itsplit           1
 Momenta zeroed out, time           195599.80
- acceleration/energy drift too large   6.31981451324586     
-   18.2365336412299       split increased to            2  itime      978272 
+ acceleration/energy drift too large   6.92643501097272     
+   24.0679750568388       split increased to            2  itime      978383 
   itsplit           1
 Momenta zeroed out, time           195799.80
- acceleration/energy drift too large   6.02385864576913     
-   39.7369547781909       split increased to            2  itime      979237 
-  itsplit           1
- acceleration/energy drift too large   4.40394897672679     
-   11.8116199504780       split increased to            2  itime      979464 
-  itsplit           1
 Velocities reset to random values, time           195999.80
 Momenta zeroed out, time           195999.80
- acceleration/energy drift too large   3.20450470934542     
-   11.0202686829428       split increased to            2  itime      980228 
+ acceleration/energy drift too large   7.61128268532396     
+   28.3809741834125       split increased to            2  itime      980474 
   itsplit           1
- acceleration/energy drift too large   6.38952607553736     
-   16.0594439300712       split increased to            2  itime      980684 
+ acceleration/energy drift too large   4.40682687143583     
+   17.2371162261124       split increased to            2  itime      980969 
   itsplit           1
 Momenta zeroed out, time           196199.80
- acceleration/energy drift too large   7.78804328892805     
-   26.8403339319769       split increased to            2  itime      981240 
+ acceleration/energy drift too large   3.69877663717645     
+   13.1645666769283       split increased to            2  itime      981220 
   itsplit           1
- acceleration/energy drift too large   1.24876306825915     
-   12.5056228934794       split increased to            2  itime      981241 
+ acceleration/energy drift too large   6.89249925206350     
+   48.6480749621190       split increased to            2  itime      981468 
   itsplit           1
- acceleration/energy drift too large   2.97302334832781     
-   23.2976270437425       split increased to            2  itime      981515 
-  itsplit           1
- acceleration/energy drift too large   12.8430012799935     
-   91.9115784193341       split increased to            2  itime      981690 
+ acceleration/energy drift too large   1.73590566918625     
+   12.2245432506830       split increased to            4  itime      981468 
+  itsplit           2
+ acceleration/energy drift too large   4.07073310011810     
+   13.1438539347148       split increased to            2  itime      981503 
   itsplit           1
- acceleration/energy drift too large   4.46719553686041     
-   11.8470758824116       split increased to            2  itime      981753 
+ acceleration/energy drift too large   3.68816910923372     
+   12.2214226408262       split increased to            2  itime      981577 
   itsplit           1
 Momenta zeroed out, time           196399.80
- acceleration/energy drift too large   4.88595885157546     
-   11.1275620737281       split increased to            2  itime      982273 
-  itsplit           1
- acceleration/energy drift too large   4.66343188472195     
-   10.0559671318158       split increased to            2  itime      982390 
-  itsplit           1
 Momenta zeroed out, time           196599.80
- acceleration/energy drift too large   4.37812318478980     
-   15.9928840505163       split increased to            2  itime      983203 
+ acceleration/energy drift too large   4.30209229505855     
+   10.4464938153654       split increased to            2  itime      983054 
   itsplit           1
- acceleration/energy drift too large   4.88738491703513     
-   23.2054105897283       split increased to            2  itime      983510 
+ acceleration/energy drift too large   10.3602930908355     
+   41.6119915767052       split increased to            2  itime      983672 
   itsplit           1
 Momenta zeroed out, time           196799.80
- acceleration/energy drift too large   3.10396152562834     
-   10.5529889771938       split increased to            2  itime      984510 
-  itsplit           1
- acceleration/energy drift too large   8.16197016949824     
-   29.4308822858313       split increased to            2  itime      984574 
-  itsplit           1
- acceleration/energy drift too large   2.91546058052582     
-   11.1579490588057       split increased to            2  itime      984602 
+ acceleration/energy drift too large   5.80821633802491     
+   11.3661960319891       split increased to            2  itime      984033 
   itsplit           1
- acceleration/energy drift too large   6.30491878830703     
-   49.0196799165929       split increased to            2  itime      984617 
+ acceleration/energy drift too large   2.83206342607492     
+   14.8266128940941       split increased to            2  itime      984828 
   itsplit           1
- acceleration/energy drift too large   3.75218786990871     
-   21.5851745613676       split increased to            2  itime      984872 
+ acceleration/energy drift too large   5.45594854156073     
+   14.2887309365883       split increased to            2  itime      984985 
   itsplit           1
 Momenta zeroed out, time           196999.80
-Momenta zeroed out, time           197199.80
- acceleration/energy drift too large   5.59125203968435     
-   12.5047463643441       split increased to            2  itime      986040 
-  itsplit           1
- acceleration/energy drift too large   3.74699636242675     
-   11.9372080567886       split increased to            2  itime      986194 
+ acceleration/energy drift too large   8.71984572351267     
+   28.8964204058546       split increased to            2  itime      985098 
   itsplit           1
- acceleration/energy drift too large   7.58817482583494     
-   37.0904571182384       split increased to            2  itime      986928 
+Momenta zeroed out, time           197199.80
+ acceleration/energy drift too large   1.79349505150737     
+   13.6784407280306       split increased to            2  itime      986559 
   itsplit           1
 Momenta zeroed out, time           197399.80
- acceleration/energy drift too large   4.50513569594190     
-   10.9192386352871       split increased to            2  itime      987024 
-  itsplit           1
- acceleration/energy drift too large   4.12571354746550     
-   10.6293346754759       split increased to            2  itime      987029 
+ acceleration/energy drift too large   3.56578748193894     
+   10.1705406651621       split increased to            2  itime      987175 
   itsplit           1
- acceleration/energy drift too large   3.73572258866277     
-   11.1814169100963       split increased to            2  itime      987031 
-  itsplit           1
- acceleration/energy drift too large   3.86609612898489     
-   10.5462247101234       split increased to            2  itime      987038 
-  itsplit           1
- acceleration/energy drift too large   4.33560533849486     
-   13.1331825679695       split increased to            2  itime      987781 
+ acceleration/energy drift too large   2.92573128245670     
+   12.4705139567149       split increased to            2  itime      987176 
   itsplit           1
 Momenta zeroed out, time           197599.80
-Momenta zeroed out, time           197799.80
- acceleration/energy drift too large   6.03135024983782     
-   12.6897391810652       split increased to            2  itime      989112 
+ acceleration/energy drift too large   6.37400765254091     
+   17.2027921198031       split increased to            2  itime      988153 
   itsplit           1
- acceleration/energy drift too large   3.57246750276514     
-   10.8496504780646       split increased to            2  itime      989160 
+ acceleration/energy drift too large   2.88862198044270     
+   13.7982729053654       split increased to            2  itime      988958 
   itsplit           1
- acceleration/energy drift too large   5.42402302719850     
-   21.6422785941157       split increased to            2  itime      989209 
-  itsplit           1
- acceleration/energy drift too large   4.65347438371249     
-   11.9523529506822       split increased to            2  itime      989256 
-  itsplit           1
- acceleration/energy drift too large   10.4951462726573     
-   53.1157136504605       split increased to            2  itime      989356 
-  itsplit           1
- acceleration/energy drift too large   10.9246413445477     
-   50.4393083850469       split increased to            2  itime      989853 
-  itsplit           1
- acceleration/energy drift too large   1.39062431519259     
-   10.4258916050211       split increased to            2  itime      989857 
-  itsplit           1
- acceleration/energy drift too large   5.77904595209665     
-   10.8940276262491       split increased to            2  itime      989916 
+Momenta zeroed out, time           197799.80
+ acceleration/energy drift too large   4.50904159032850     
+   20.5001979943335       split increased to            2  itime      989258 
   itsplit           1
 Velocities reset to random values, time           197999.80
 Momenta zeroed out, time           197999.80
- acceleration/energy drift too large   4.46906849845092     
-   20.3729615836489       split increased to            2  itime      990205 
-  itsplit           1
- acceleration/energy drift too large   5.18835691109561     
-   28.6834714208916       split increased to            2  itime      990385 
-  itsplit           1
- acceleration/energy drift too large   3.39012236527962     
-   13.5138582779323       split increased to            2  itime      990563 
+ acceleration/energy drift too large   5.46978261572512     
+   19.8795873667259       split increased to            2  itime      990937 
   itsplit           1
 Momenta zeroed out, time           198199.80
- acceleration/energy drift too large   11.8041769604181     
-   48.1890080589515       split increased to            2  itime      991651 
+ acceleration/energy drift too large   6.51180788488493     
+   15.2984223486236       split increased to            2  itime      991567 
   itsplit           1
 Momenta zeroed out, time           198399.80
- acceleration/energy drift too large   4.69647696027024     
-   11.4661766501422       split increased to            2  itime      992021 
+ acceleration/energy drift too large   4.41897472725944     
+   10.5611286966841       split increased to            2  itime      992881 
   itsplit           1
- acceleration/energy drift too large   3.22985644436729     
-   11.0861851403751       split increased to            2  itime      992055 
+Momenta zeroed out, time           198599.80
+ acceleration/energy drift too large   5.07798016850372     
+   33.5802300799006       split increased to            2  itime      993794 
   itsplit           1
- acceleration/energy drift too large   5.97452003820278     
-   21.5142460062306       split increased to            2  itime      992729 
+ acceleration/energy drift too large   13.3123099350089     
+   89.1108015037876       split increased to            2  itime      993892 
   itsplit           1
-Momenta zeroed out, time           198599.80
- acceleration/energy drift too large   9.93293988500426     
-   36.9250560109970       split increased to            2  itime      993581 
+ acceleration/energy drift too large   2.66272534410800     
+   13.5820607810251       split increased to            4  itime      993892 
   itsplit           1
-Momenta zeroed out, time           198799.80
- acceleration/energy drift too large   8.66867441550599     
-   31.0219190246367       split increased to            2  itime      994764 
+ acceleration/energy drift too large   5.91388457126812     
+   20.9196287100204       split increased to            2  itime      993979 
   itsplit           1
+Momenta zeroed out, time           198799.80
 Momenta zeroed out, time           198999.80
+ acceleration/energy drift too large   4.71013623297864     
+   11.0103438499719       split increased to            2  itime      995204 
+  itsplit           1
 Momenta zeroed out, time           199199.80
- acceleration/energy drift too large   6.68706033694623     
-   38.9379898859313       split increased to            2  itime      996714 
+ acceleration/energy drift too large   2.89731196280385     
+   12.4151861932095       split increased to            2  itime      996000 
+  itsplit           1
+ acceleration/energy drift too large   6.57950426788061     
+   27.0356280757307       split increased to            2  itime      996191 
+  itsplit           1
+ acceleration/energy drift too large   4.18772265231759     
+   14.0825835325819       split increased to            2  itime      996452 
   itsplit           1
 Momenta zeroed out, time           199399.80
-Momenta zeroed out, time           199599.80
- acceleration/energy drift too large   5.97110328198255     
-   24.1398449289532       split increased to            2  itime      998817 
+ acceleration/energy drift too large   6.71336226114505     
+   17.6078318518701       split increased to            2  itime      997084 
   itsplit           1
-Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   3.29684564246782     
-   14.5404099772931       split increased to            2  itime      999661 
+ acceleration/energy drift too large   3.21453686297472     
+   18.7344754076067       split increased to            2  itime      997098 
   itsplit           1
+Momenta zeroed out, time           199599.80
+Momenta zeroed out, time           199799.80
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.07957E+02
+                  MD calculations setup:    1.56250E-02
+           Energy & gradient evaluation:    3.78551E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.26465E+02
+                               MD steps:    4.14039E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/unres.csh b/examples/unres/new/MD/Berendsen/ff_gab/unres.csh
index c98ab23..2652ea2 100755
--- a/examples/unres/new/MD/Berendsen/ff_gab/unres.csh
+++ b/examples/unres/new/MD/Berendsen/ff_gab/unres.csh
@@ -4,9 +4,10 @@ setenv POT GB
 setenv PREFIX 1L2Y_MD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
 setenv ROTPAR $DD/scgauss.parm
@@ -15,8 +16,8 @@ setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm
 setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-setenv SCCORPAR $DD/rotcorr_AM1.parm
-#setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+#setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
 #-----------------------------------------------------------------------------
diff --git a/examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD.out_GB000 b/examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD.out_GB000
index 10335dc..45a1078 100644
--- a/examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD.out_GB000
+++ b/examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD.out_GB000
@@ -5,33 +5,33 @@
  Output file                     : 1L2Y_MD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 298
- compiled Thu Jul  5 05:49:13 2012
+ Version 2.5 build 303
+ compiled Mon Jul 23 17:44:56 2012
  compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
@@ -429,13 +429,13 @@ Initial:
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    3.75566E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.78934E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.51895E+02
+                               MD steps:    4.56156E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   457.273437500000       sec
+ Total wall clock time   456.886718750000       sec
diff --git a/examples/unres/new/MD/Langevin/ff_1l2y/fort.2 b/examples/unres/new/MD/Langevin/ff_1l2y/fort.2
index 9e06a6e..24c4765 100644
--- a/examples/unres/new/MD/Langevin/ff_1l2y/fort.2
+++ b/examples/unres/new/MD/Langevin/ff_1l2y/fort.2
@@ -5,16 +5,16 @@
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.80863E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.57230E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & g
 
+===================================  Timing  ===================================
 
-============================  End of MD calculation  ===========================
-setup:    0.00000E+00
-                               MD steps:    4.57145E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    3.80586E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.56855E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/MD/Langevin/ff_1l2y/unres.csh b/examples/unres/new/MD/Langevin/ff_1l2y/unres.csh
index 633b4ef..5db52b5 100755
--- a/examples/unres/new/MD/Langevin/ff_1l2y/unres.csh
+++ b/examples/unres/new/MD/Langevin/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.out_GB000 b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.out_GB000
index 0c9c3eb..2d93945 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.out_GB000
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.out_GB000
@@ -5,50 +5,53 @@
  Output file                     : 1L2Y_MD.out_GB000
  
  Sidechain potential file        : 
- /users/czarek/UNRES/export_v3/PARAM/scinter_GB.parm
- SCp potential file              : /users/czarek/UNRES/export_v3/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ p8g-sc
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/czarek/UNRES/export_v3/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/czarek/UNRES/export_v3/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/czarek/UNRES/export_v3/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/czarek/UNRES/export_v3/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/czarek/UNRES/export_v3/PARAM/rotcorr_AM1.parm
- Bond & inertia constant file    : /users/czarek/UNRES/export_v3/PARAM/bond.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
  Bending parameter file          : 
- /users/czarek/UNRES/export_v3/PARAM/thetaml.5parm
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
  Rotamer parameter file          : 
- /users/czarek/UNRES/export_v3/PARAM/scgauss.parm
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
  Threading database              : 
- /users/czarek/UNRES/export_v3/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
- ### LAST MODIFIED  04/08/11 11:00AM by czarek
+ ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 36
- compiled Thu Dec  1 05:12:23 2011
- compiled by czarek@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
- OS release: 2.6.34.8-68.fc13.x86_64 
- OS version: #1 SMP Thu Feb 17 15:03:58 UTC 2011 
+ OS release: 2.6.34.9-69.fc13.x86_64 
+ OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
  flags:
- CPPFLAGS = -DCRYST_BOND -DCRYST_THETA -DCRYST_S...
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
- FC= ifort 
- OPT =  -O3 -ip -w 
+ FC= ifort
+ OPT =  -g -ip -w -CB 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
  FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
  FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
  FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
- BIN = ../bin/unres_120111_mpich1_oldparm.exe
  LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
  ARCH = LINUX
  PP = /lib/cpp -P
  object = unres.o arcos.o cartprint.o chainbuild...
+ GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
+ GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
+ E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
+ E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
  ++++ End of compile info ++++
 
 Potential is GB , exponents are   6 12
@@ -58,8 +61,9 @@ S-S bridge energy:      -5.50
 d0cm:      3.78 akcm:     15.10
 akth:     11.00 akct:     12.00
 v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
- MPI: node=            0  iseed=               -3059742
- ran_num  0.273754117333397     
+ MPI: node=            0  iseed(4)=            0           0         -46
+      -45086
+ ran_num  6.422640197456531E-013
 RMSDBC =        3.0
 RMSDBC1 =        0.5
 RMSDBC1MAX =        1.5
@@ -308,32 +312,32 @@ Mesoscopic molecular dynamics (MD) calculation.
 ====================MD calculation start====================
  Initial velocities randomly generated
  Initial velocities
-  0   0.14116   0.06019   0.00651      0.00000   0.00000   0.00000
+  0   0.02267   0.06282  -0.18129      0.00000   0.00000   0.00000
   1   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
-  2  -0.17175  -0.01249  -0.15331     -0.02090  -0.05792  -0.09881
-  3   0.15276   0.01076   0.15619     -0.00869  -0.01649   0.14952
-  4   0.09714   0.21962  -0.00076     -0.13161   0.00105  -0.13191
-  5  -0.28995  -0.28661  -0.04399     -0.20794  -0.09712   0.06109
-  6   0.02606  -0.09397   0.00121      0.02142   0.02371   0.06777
-  7   0.14043   0.10719   0.11062      0.03017   0.12211   0.14888
-  8  -0.15894   0.05289  -0.04945     -0.08870  -0.06076   0.05527
-  9   0.00083  -0.06721  -0.12843      0.11538  -0.05179  -0.14286
- 10   0.29223  -0.07835   0.13064      0.07317   0.00083   0.11341
- 11  -0.41159   0.15104  -0.01780      0.00000   0.00000   0.00000
- 12   0.28145  -0.01326   0.08243      0.00000   0.00000   0.00000
- 13  -0.33623   0.09347  -0.10808     -0.02992   0.03048  -0.13246
- 14   0.40983   0.00917  -0.03051      0.24109  -0.19177  -0.02812
- 15  -0.14238  -0.04269   0.11329     -0.06397  -0.14551  -0.10490
- 16  -0.11159  -0.01629   0.01549      0.00000   0.00000   0.00000
- 17   0.08712  -0.04737   0.04618      0.02491  -0.13909  -0.04091
- 18  -0.17195  -0.14441  -0.13341      0.13324  -0.01700  -0.06373
- 19   0.13399   0.09745  -0.00585      0.01171   0.10181  -0.02391
- 20  -0.08296  -0.16674   0.16475      0.07397  -0.09732  -0.22217
- 21   0.00000   0.00000   0.00000      0.05726   0.10954  -0.06352
+  2  -0.36014  -0.22705  -0.00171     -0.06904  -0.02446   0.24778
+  3   0.27655   0.20645   0.14150      0.26200   0.15105   0.09342
+  4   0.10834  -0.11941   0.14712      0.10330  -0.09595   0.03277
+  5   0.05798  -0.08974   0.08325      0.03879   0.02648  -0.14707
+  6   0.01211   0.16444  -0.14711     -0.01628   0.11599  -0.16511
+  7  -0.01010  -0.05513   0.03662     -0.18958   0.06429   0.04531
+  8  -0.01799   0.13439  -0.04510      0.02318   0.10657   0.03722
+  9  -0.26458  -0.01929   0.09531     -0.22533  -0.17075  -0.04594
+ 10   0.14062  -0.06051  -0.18363      0.20415  -0.15549  -0.17329
+ 11  -0.14145   0.13159  -0.00733      0.00000   0.00000   0.00000
+ 12   0.19745  -0.24261   0.01759      0.00000   0.00000   0.00000
+ 13  -0.15305   0.28008   0.07251      0.06558   0.14824   0.10057
+ 14   0.11104  -0.31941   0.15684     -0.02949  -0.09688   0.05398
+ 15   0.14534   0.10342  -0.23754     -0.13923   0.07952   0.07655
+ 16  -0.11969   0.14757   0.15002      0.00000   0.00000   0.00000
+ 17  -0.09007  -0.15856  -0.20234     -0.07955  -0.08516  -0.10245
+ 18   0.24139   0.09063   0.14043     -0.02074   0.10220   0.04907
+ 19  -0.14354  -0.07226  -0.29143     -0.12408  -0.06855  -0.02978
+ 20   0.28536   0.09023   0.56577      0.02348   0.16297   0.19270
+ 21   0.00000   0.00000   0.00000     -0.13725  -0.06434  -0.21957
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
-  2.057102891604313E-017  3.164773679391251E-017 -5.308652623495002E-018
+  1.837610523517500E-017 -2.960594732333751E-018  9.596410511702503E-018
 
 
               alpha-carbon coordinates            centroid coordinates
@@ -389,7 +393,7 @@ D    22     3.800    90.000   180.000     0.000   180.000   180.000
 
 Virtual-chain energies:
 
-EVDW=     -1.947821E+01 WEIGHT=    1.352790D+00 (SC-SC)
+EVDW=     -1.680592E+01 WEIGHT=    1.352790D+00 (SC-SC)
 EVDW2=     2.387106E+01 WEIGHT=    1.593040D+00 (SC-p)
 EES=      -7.520330E+00 WEIGHT=    7.153400D-01 (p-p)
 EVDWPP=   -2.624923E+01 WEIGHT=    1.137100D-01 (p-p VDW)
@@ -398,7 +402,7 @@ EBE=       1.082023E+00 WEIGHT=    1.138730D+00 (bending)
 ESC=       9.168846E+01 WEIGHT=    1.625800D-01 (SC local)
 ETORS=     2.664535E-15 WEIGHT=    1.985990D+00 (torsional)
 ETORSD=   -2.547586E+00 WEIGHT=    1.570690D+00 (double torsional)
-EHBP=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
+EHPB=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
 ECORR4=   -4.501075E+00 WEIGHT=    4.288700D-01 (multi-body)
 ECORR5=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
 ECORR6=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
@@ -410,26 +414,6800 @@ ESCCOR=    0.000000E+00 WEIGHT=    0.000000D+00 (backbone-rotamer corr)
 EDIHC=     0.000000E+00 (dihedral angle constraints)
 ESS=       0.000000E+00 (disulfide-bridge intrinsic energy)
 UCONST=     0.000000E+00 (Constraint energy)
-ETOT=      2.121298E+01 (total)
+ETOT=      2.482802E+01 (total)
 
 Initial:
-           Kinetic energy   2.60624E+01
-         potential energy   2.12130E+01
-             total energy   4.72754E+01
+           Kinetic energy   3.16218E+01
+         potential energy   2.48280E+01
+             total energy   5.64498E+01
 
-    maximum acceleration    9.35162E-01
+    maximum acceleration    7.07629E-01
 
+ acceleration/energy drift too large   5.53334427250612     
+   14.0333749201923       split increased to            2  itime         691 
+  itsplit           1
+ acceleration/energy drift too large   3.01926621757694     
+   12.4435653655930       split increased to            2  itime         760 
+  itsplit           1
+ acceleration/energy drift too large   6.99336597524701     
+   40.0073284011889       split increased to            2  itime         858 
+  itsplit           1
+ acceleration/energy drift too large   2.61411008309278     
+   18.8713939712841       split increased to            2  itime         903 
+  itsplit           1
+ acceleration/energy drift too large   5.25779594945681     
+   33.9160029310141       split increased to            2  itime        1014 
+  itsplit           1
+ acceleration/energy drift too large   10.2022012449163     
+   37.0305314146081       split increased to            2  itime        1163 
+  itsplit           1
+ acceleration/energy drift too large   2.31793673205906     
+   11.4527183262993       split increased to            2  itime        1225 
+  itsplit           1
+ acceleration/energy drift too large   3.24285407795580     
+   18.2763716902980       split increased to            2  itime        1736 
+  itsplit           1
+ acceleration/energy drift too large   6.92003143874492     
+   16.2280569830541       split increased to            2  itime        1852 
+  itsplit           1
+ acceleration/energy drift too large   2.78843633163088     
+   11.1144283631456       split increased to            2  itime        1955 
+  itsplit           1
+ acceleration/energy drift too large   3.34585378888907     
+   15.6317112181760       split increased to            2  itime        1994 
+  itsplit           1
+ acceleration/energy drift too large   3.35100158536561     
+   10.4039895077980       split increased to            2  itime        2270 
+  itsplit           1
+ acceleration/energy drift too large   3.81336548546242     
+   11.0572402296664       split increased to            2  itime        2289 
+  itsplit           1
+ acceleration/energy drift too large   7.36302894130634     
+   24.4615067706451       split increased to            2  itime        3233 
+  itsplit           1
+ acceleration/energy drift too large   7.23852326571972     
+   11.4143733491347       split increased to            2  itime        3386 
+  itsplit           1
+ acceleration/energy drift too large   5.30598268401108     
+   11.4965425963762       split increased to            2  itime        3622 
+  itsplit           1
+ acceleration/energy drift too large   4.33370446791498     
+   17.2292209651819       split increased to            2  itime        3632 
+  itsplit           1
+ acceleration/energy drift too large   4.37560081008054     
+   11.9714610201356       split increased to            2  itime        3989 
+  itsplit           1
+ acceleration/energy drift too large   2.98903915872598     
+   10.7628609252721       split increased to            2  itime        4004 
+  itsplit           1
+ acceleration/energy drift too large   4.63063775537497     
+   10.4452335236689       split increased to            2  itime        4739 
+  itsplit           1
+ acceleration/energy drift too large   5.50284190373970     
+   17.5732145011782       split increased to            2  itime        4817 
+  itsplit           1
+ acceleration/energy drift too large   9.62274829653999     
+   32.9708820630543       split increased to            2  itime        5311 
+  itsplit           1
+ acceleration/energy drift too large   2.57055311803859     
+   12.9531503992635       split increased to            4  itime        5311 
+  itsplit           1
+ acceleration/energy drift too large   6.74932719643256     
+   30.3842374450518       split increased to            2  itime        5579 
+  itsplit           1
+ acceleration/energy drift too large   4.59983791560385     
+   10.4082361916246       split increased to            2  itime        5608 
+  itsplit           1
+ acceleration/energy drift too large   6.13209509759479     
+   15.5901579594852       split increased to            2  itime        5982 
+  itsplit           1
+ acceleration/energy drift too large   5.01735547315877     
+   25.5125121615484       split increased to            2  itime        6603 
+  itsplit           1
+ acceleration/energy drift too large   5.83334054284543     
+   44.6255383519587       split increased to            2  itime        6681 
+  itsplit           1
+ acceleration/energy drift too large   5.27101599610550     
+   10.7202178906054       split increased to            2  itime        6958 
+  itsplit           1
+ acceleration/energy drift too large   5.32868492149732     
+   13.1973502734653       split increased to            2  itime        6963 
+  itsplit           1
+ acceleration/energy drift too large   5.17668304549555     
+   18.7359333077805       split increased to            2  itime        8112 
+  itsplit           1
+ acceleration/energy drift too large   4.90088578560153     
+   20.4374305026680       split increased to            2  itime        8904 
+  itsplit           1
+ acceleration/energy drift too large   6.76998334610828     
+   26.1748229891340       split increased to            2  itime        9076 
+  itsplit           1
+ acceleration/energy drift too large   4.86155418949894     
+   10.6220026146707       split increased to            2  itime        9333 
+  itsplit           1
+ acceleration/energy drift too large   15.0571359248656     
+   89.3616670304506       split increased to            2  itime       10090 
+  itsplit           1
+ acceleration/energy drift too large   14.5578750192641     
+   97.3576493930961       split increased to            2  itime       10230 
+  itsplit           1
+ acceleration/energy drift too large   3.90363815729320     
+   10.8027685460179       split increased to            2  itime       10237 
+  itsplit           1
+ acceleration/energy drift too large   2.98511684066795     
+   10.0006521464419       split increased to            2  itime       10611 
+  itsplit           1
+ acceleration/energy drift too large   6.20234043960764     
+   53.0691957231351       split increased to            2  itime       11373 
+  itsplit           1
+ acceleration/energy drift too large   8.98209393721838     
+   39.0248898259911       split increased to            2  itime       11747 
+  itsplit           1
+ acceleration/energy drift too large   8.57154594994884     
+   25.2267108886742       split increased to            2  itime       12835 
+  itsplit           1
+ acceleration/energy drift too large   2.86037424951488     
+   11.7325961117105       split increased to            2  itime       13114 
+  itsplit           1
+ acceleration/energy drift too large   5.74158102022659     
+   19.6712698916970       split increased to            2  itime       13453 
+  itsplit           1
+ acceleration/energy drift too large   2.66045715638658     
+   11.6446161821721       split increased to            2  itime       16386 
+  itsplit           1
+ acceleration/energy drift too large   3.75191479425134     
+   11.7043385026200       split increased to            2  itime       16434 
+  itsplit           1
+ acceleration/energy drift too large   5.29151998035347     
+   15.7563002273402       split increased to            2  itime       17168 
+  itsplit           1
+ acceleration/energy drift too large   6.32888452918866     
+   12.5765474625934       split increased to            2  itime       17169 
+  itsplit           1
+ acceleration/energy drift too large   6.98744710940944     
+   17.6324486139944       split increased to            2  itime       17605 
+  itsplit           1
+ acceleration/energy drift too large   3.72986591767551     
+   10.6219905391854       split increased to            2  itime       18798 
+  itsplit           1
+ acceleration/energy drift too large   3.37224537081566     
+   10.0424303294783       split increased to            2  itime       18801 
+  itsplit           1
+ acceleration/energy drift too large   11.2102078366465     
+   65.7273155449492       split increased to            2  itime       18987 
+  itsplit           1
+ acceleration/energy drift too large   3.32386253463195     
+   12.7425930846613       split increased to            2  itime       19028 
+  itsplit           1
+ acceleration/energy drift too large   2.24511861492044     
+   11.2338129302409       split increased to            2  itime       19350 
+  itsplit           1
+ acceleration/energy drift too large   5.01116037560110     
+   27.4185464951483       split increased to            2  itime       19439 
+  itsplit           1
+ acceleration/energy drift too large   10.9492288543843     
+   58.7402135743846       split increased to            2  itime       20691 
+  itsplit           1
+ acceleration/energy drift too large   3.48972413597076     
+   10.9019510289704       split increased to            2  itime       20967 
+  itsplit           1
+ acceleration/energy drift too large   4.01757790956743     
+   10.4634569257918       split increased to            2  itime       21043 
+  itsplit           1
+ acceleration/energy drift too large   9.84065429441193     
+   43.4918336402065       split increased to            2  itime       21163 
+  itsplit           1
+ acceleration/energy drift too large   3.41800608430491     
+   12.5292366278746       split increased to            2  itime       21177 
+  itsplit           1
+ acceleration/energy drift too large   3.31183394351263     
+   14.9620973877420       split increased to            2  itime       21182 
+  itsplit           1
+ acceleration/energy drift too large   4.24075226911826     
+   11.7661568572352       split increased to            2  itime       21240 
+  itsplit           1
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+ acceleration/energy drift too large   8.30260722386201     
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+  itsplit           1
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.11953E+02
-                    Stochastic MD setup:    0.00000E+00
+                  MD calculations setup:    5.46875E-02
+           Energy & gradient evaluation:    3.80621E+02
+                    Stochastic MD setup:    3.90625E-03
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.65984E+02
+                               MD steps:    4.60289E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   373.972656250000       sec
+ Total wall clock time   461.593750000000       sec
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_000.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_000.rst
index 5aa1802..0b4f6f3 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_000.rst
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_000.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_001.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_001.rst
index fd3f754..1372ff3 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_001.rst
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_001.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_002.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_002.rst
index f457ce8..0fb5cdc 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_002.rst
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_002.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_003.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_003.rst
index 85028ba..fcfffa9 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_003.rst
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_003.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst
index 648a39e..9bf1949 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_005.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_005.rst
index a6d699b..7a64be2 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_005.rst
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_005.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_006.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_006.rst
index 9f2b545..37328f1 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_006.rst
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_006.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_007.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_007.rst
index a3e3155..c663965 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_007.rst
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_007.rst
@@ -1,90 +1,90 @@
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-   -0.26370E+00   -0.34382E+01   -0.15537E+01
-    0.92421E+00   -0.33163E+01    0.17252E+01
-    0.14880E+01   -0.17893E+01   -0.30741E+01
+    0.66860E+00   -0.16549E+01    0.33070E+01
+   -0.28638E+01    0.13994E+01    0.20427E+01
+    0.17576E+01   -0.83552E+00    0.32873E+01
+    0.30803E+01    0.20400E+01   -0.81094E+00
+   -0.21553E+01    0.30952E+01   -0.31842E+00
+   -0.13642E+01   -0.44768E+00    0.35720E+01
+    0.34303E+01    0.46611E+00    0.14548E+01
+    0.26797E+00    0.34782E+01   -0.15547E+01
+    0.27388E+00    0.16330E+01    0.34077E+01
+   -0.36895E+01    0.73187E+00    0.33846E+00
+   -0.34201E+01   -0.11865E+01    0.14614E+01
+   -0.77481E+00   -0.33410E+01   -0.16890E+01
+   -0.35322E+01    0.95868E-01    0.13809E+01
+   -0.13601E+01    0.19348E+01   -0.29064E+01
+    0.20388E+01   -0.19068E+01   -0.26240E+01
+   -0.78040E+00   -0.36568E+01   -0.74655E+00
+    0.12223E+01   -0.14708E+01    0.33011E+01
+    0.58307E+00   -0.36959E+01   -0.45363E+00
+    0.37686E+00   -0.13660E+01    0.35464E+01
     0.38000E+01   -0.25738E-29   -0.46537E-14
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.15326E+01    0.10698E+00    0.76858E+00
-   -0.53586E+00   -0.18788E+01   -0.28948E-01
-    0.18356E+01   -0.16555E+01    0.50392E+00
-   -0.58771E+00   -0.16842E+01    0.31703E+00
-   -0.12488E+01    0.15971E+00    0.18503E+01
-    0.12906E+01   -0.53209E+00    0.21638E+01
-    0.10855E+01   -0.13116E+01    0.88458E+00
-   -0.15452E+01   -0.20397E+01   -0.20731E+00
-    0.81268E+00   -0.63105E+00    0.13845E+01
+    0.14607E+01    0.62212E+00   -0.24477E+00
+    0.18107E+01   -0.62525E+00   -0.14482E+00
+   -0.19517E+01   -0.59227E+00    0.14462E+01
+   -0.32166E-01   -0.17231E+01    0.22797E+00
+    0.14349E+01   -0.54003E+00   -0.16197E+01
+   -0.14460E+01    0.18398E+01   -0.10634E+01
+   -0.14539E+01   -0.12519E+01    0.12368E+00
+    0.84623E+00   -0.22190E+01   -0.78856E+00
+   -0.95634E+00    0.17971E+00   -0.13856E+01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.67137E+00   -0.10733E+01    0.33948E+00
-    0.54757E+00    0.39137E+00   -0.92339E+00
-    0.22156E+00   -0.10245E+01    0.54635E+00
+   -0.10622E+01    0.48228E+00   -0.67987E+00
+   -0.27539E+00   -0.11179E+01    0.17604E+00
+    0.23805E+00    0.58539E+00    0.95212E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.30122E+01   -0.35329E+00   -0.10438E+00
-   -0.10499E+01    0.21280E+00    0.82626E+00
-    0.71134E+00    0.57977E+00   -0.96394E+00
-   -0.12328E+01   -0.25749E+00   -0.42102E+00
-   -0.31239E+00    0.96445E+00   -0.65661E+00
+    0.28425E+01    0.80066E+00    0.46233E+00
+    0.10755E+01    0.24656E+00   -0.80078E+00
+   -0.95965E+00    0.89479E+00    0.40443E+00
+    0.11813E+01    0.28698E+00   -0.47191E+00
+   -0.72608E+00   -0.58217E+00    0.65914E+00
     0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB000.stat b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB000.stat
index 2311548..d2ec126 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB000.stat
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB000.stat
@@ -1,101 +1,101 @@
-         0           0.00      26.062      21.213      47.275  12.87 0.000   NaN   NaN 0.935     236.452     300.000      15.552    0 
-     10000        2000.00      35.083     -18.888      16.194  12.00 0.214 0.250 0.170 1.722     318.287     300.000      15.068    0 
-     20000        4000.00      31.407     -20.843      10.564   8.95 0.071 0.667 0.152 1.618     284.943     300.000      13.066    0 
-     30000        6000.00      26.509     -34.238      -7.730   8.09 0.429 0.500 0.197 1.815     240.500     300.000      10.411    0 
-     40000        8000.00      30.810     -27.649       3.161   6.69 0.214 0.571 0.182 1.510     279.523     300.000      10.312    0 
-     50000       10000.00      36.538     -34.786       1.752   6.06 0.214 0.625 0.295 2.541     331.490     300.000       7.792    0 
-     60000       12000.00      32.084     -40.185      -8.101   5.18 0.214 0.727 0.417 1.836     291.086     300.000       7.330    0 
-     70000       14000.00      32.570     -41.329      -8.759   4.66 0.143 0.867 0.339 1.162     295.494     300.000       7.354    0 
-     80000       16000.00      31.780     -39.911      -8.130   5.54 0.214 0.700 0.368 1.814     288.326     300.000       7.194    0 
-     90000       18000.00      35.566     -36.513      -0.947   4.32 0.429 0.647 0.369 1.607     322.672     300.000       7.259    0 
-    100000       20000.00      27.093     -26.753       0.340   4.44 0.214 0.625 0.534 2.180     245.798     300.000       7.132    0 
-    110000       22000.00      35.561     -45.224      -9.662   5.38 0.214 0.769 0.339 3.426     322.632     300.000       7.050    0 
-    120000       24000.00      38.763     -48.032      -9.269   5.49 0.357 0.750 0.427 1.934     351.676     300.000       6.976    0 
-    130000       26000.00      35.502     -39.286      -3.784   4.75 0.286 0.556 0.348 2.705     322.092     300.000       7.601    0 
-    140000       28000.00      32.882     -31.004       1.878   5.06 0.214 0.625 0.438 1.897     298.325     300.000       7.035    0 
-    150000       30000.00      32.707     -33.796      -1.088   4.31 0.214 0.750 0.360 2.729     296.736     300.000       7.347    0 
-    160000       32000.00      31.833     -43.063     -11.230   4.14 0.214 0.667 0.343 1.402     288.807     300.000       7.597    0 
-    170000       34000.00      34.526     -43.728      -9.203   4.08 0.286 0.667 0.288 1.263     313.235     300.000       7.446    0 
-    180000       36000.00      33.891     -44.277     -10.387   3.28 0.429 0.500 0.352 1.888     307.475     300.000       6.542    0 
-    190000       38000.00      40.308     -36.220       4.088   3.23 0.357 0.545 0.281 2.470     365.696     300.000       6.992    0 
-    200000       40000.00      36.750     -40.648      -3.898   3.61 0.286 0.778 0.366 2.152     333.411     300.000       6.615    0 
-    210000       42000.00      35.061     -44.571      -9.510   3.29 0.357 0.667 0.355 1.665     318.090     300.000       6.513    0 
-    220000       44000.00      38.714     -42.897      -4.183   4.31 0.357 0.545 0.198 1.586     351.233     300.000       7.745    0 
-    230000       46000.00      43.199     -38.768       4.430   3.22 0.143 0.800 0.223 3.923     391.921     300.000       7.258    0 
-    240000       48000.00      27.720     -44.339     -16.619   3.42 0.571 0.579 0.280 3.824     251.487     300.000       6.755    0 
-    250000       50000.00      44.045     -47.710      -3.665   4.36 0.357 0.615 0.392 2.118     399.601     300.000       6.922    0 
-    260000       52000.00      29.951     -46.335     -16.383   3.58 0.286 0.714 0.289 1.462     271.735     300.000       6.501    0 
-    270000       54000.00      29.450     -33.899      -4.449   3.99 0.357 0.688 0.259 1.724     267.182     300.000       6.980    0 
-    280000       56000.00      20.349     -39.155     -18.806   4.29 0.286 0.765 0.313 2.280     184.614     300.000       6.583    0 
-    290000       58000.00      35.168     -49.984     -14.815   4.43 0.429 0.538 0.336 0.981     319.064     300.000       6.850    0 
-    300000       60000.00      41.056     -43.565      -2.509   3.97 0.357 0.688 0.412 1.277     372.484     300.000       6.702    0 
-    310000       62000.00      28.336     -33.795      -5.460   3.90 0.214 0.727 0.331 2.000     257.076     300.000       6.589    0 
-    320000       64000.00      32.280     -45.499     -13.219   3.86 0.429 0.714 0.390 1.515     292.861     300.000       6.470    0 
-    330000       66000.00      40.536     -30.226      10.310   4.13 0.286 0.636 0.409 1.344     367.764     300.000       6.643    0 
-    340000       68000.00      32.257     -42.023      -9.766   4.37 0.357 0.667 0.345 1.768     292.651     300.000       6.743    0 
-    350000       70000.00      37.498     -52.558     -15.060   3.38 0.500 0.611 0.348 0.899     340.201     300.000       6.373    0 
-    360000       72000.00      32.718     -37.955      -5.237   3.79 0.357 0.643 0.396 2.487     296.836     300.000       6.480    0 
-    370000       74000.00      35.469     -48.622     -13.152   3.94 0.429 0.625 0.403 3.853     321.797     300.000       6.348    0 
-    380000       76000.00      27.915     -33.784      -5.869   3.62 0.214 0.750 0.273 1.712     253.260     300.000       6.923    0 
-    390000       78000.00      29.946     -32.556      -2.610   3.30 0.214 0.727 0.339 4.281     271.689     300.000       6.696    0 
-    400000       80000.00      31.270     -40.213      -8.944   2.70 0.500 0.632 0.285 1.764     283.696     300.000       6.552    0 
-    410000       82000.00      27.043     -40.290     -13.247   2.33 0.357 0.615 0.262 1.634     245.349     300.000       6.978    0 
-    420000       84000.00      41.958     -43.490      -1.531   2.28 0.571 0.529 0.350 2.413     380.668     300.000       6.521    0 
-    430000       86000.00      36.673     -39.843      -3.170   2.12 0.357 0.545 0.326 1.181     332.713     300.000       6.960    0 
-    440000       88000.00      30.918     -43.975     -13.058   2.39 0.429 0.647 0.324 0.967     280.500     300.000       6.534    0 
-    450000       90000.00      40.887     -39.154       1.733   2.01 0.286 0.692 0.346 2.925     370.948     300.000       6.494    0 
-    460000       92000.00      34.338     -47.095     -12.757   3.28 0.357 0.545 0.293 3.179     311.531     300.000       7.189    0 
-    470000       94000.00      39.344     -46.510      -7.165   3.54 0.286 0.667 0.352 2.256     356.951     300.000       6.567    0 
-    480000       96000.00      39.647     -41.371      -1.724   2.98 0.429 0.571 0.299 2.147     359.697     300.000       6.803    0 
-    490000       98000.00      34.198     -46.830     -12.632   3.88 0.357 0.750 0.405 1.899     310.260     300.000       6.512    0 
-    500000      100000.00      33.728     -53.833     -20.105   4.41 0.286 0.789 0.414 1.013     305.995     300.000       6.358    0 
-    510000      102000.00      43.801     -51.389      -7.588   3.65 0.357 0.643 0.240 1.404     397.387     300.000       6.940    0 
-    520000      104000.00      33.719     -42.997      -9.278   2.86 0.357 0.500 0.277 1.235     305.918     300.000       6.964    0 
-    530000      106000.00      42.585     -40.275       2.311   2.93 0.286 0.636 0.236 1.572     386.354     300.000       7.014    0 
-    540000      108000.00      39.027     -31.422       7.605   3.61 0.286 0.692 0.399 2.265     354.073     300.000       6.305    0 
-    550000      110000.00      30.291     -40.813     -10.522   3.93 0.143 0.818 0.393 1.715     274.811     300.000       7.095    0 
-    560000      112000.00      34.922     -34.055       0.866   3.94 0.214 0.812 0.327 2.309     316.827     300.000       6.689    0 
-    570000      114000.00      37.458     -34.468       2.990   4.49 0.143 0.818 0.413 1.510     339.839     300.000       7.383    0 
-    580000      116000.00      37.843     -39.926      -2.083   5.29 0.286 0.733 0.379 0.853     343.333     300.000       7.050    0 
-    590000      118000.00      35.944     -31.485       4.458   5.34 0.286 0.556 0.293 2.565     326.098     300.000       7.480    0 
-    600000      120000.00      35.143     -45.915     -10.772   4.93 0.143 0.857 0.386 0.814     318.833     300.000       6.593    0 
-    610000      122000.00      29.488     -43.848     -14.360   4.54 0.357 0.688 0.327 2.042     267.528     300.000       6.825    0 
-    620000      124000.00      37.379     -36.931       0.448   6.25 0.286 0.600 0.309 1.845     339.117     300.000       8.106    0 
-    630000      126000.00      33.734     -43.845     -10.111   5.39 0.071 0.909 0.450 1.164     306.050     300.000       6.990    0 
-    640000      128000.00      34.893     -46.558     -11.664   5.81 0.143 0.833 0.443 2.038     316.571     300.000       7.183    0 
-    650000      130000.00      39.588     -32.779       6.809   5.86 0.143 0.800 0.414 1.242     359.159     300.000       6.937    0 
-    660000      132000.00      34.586     -50.995     -16.409   6.10 0.286 0.750 0.366 0.697     313.782     300.000       7.121    0 
-    670000      134000.00      37.244     -38.436      -1.192   5.48 0.214 0.786 0.403 0.993     337.896     300.000       7.217    0 
-    680000      136000.00      32.720     -43.087     -10.367   5.48 0.214 0.727 0.384 1.885     296.850     300.000       7.677    0 
-    690000      138000.00      39.508     -40.753      -1.245   5.42 0.286 0.765 0.393 1.972     358.435     300.000       6.939    0 
-    700000      140000.00      30.175     -46.757     -16.582   4.88 0.214 0.667 0.278 2.065     273.762     300.000       7.274    0 
-    710000      142000.00      31.687     -40.323      -8.635   5.22 0.214 0.769 0.322 1.558     287.485     300.000       6.714    0 
-    720000      144000.00      38.974     -38.599       0.374   5.07 0.214 0.786 0.334 3.478     353.589     300.000       6.745    0 
-    730000      146000.00      39.888     -49.359      -9.472   4.77 0.357 0.583 0.337 1.123     361.884     300.000       7.016    0 
-    740000      148000.00      38.849     -40.047      -1.198   4.91 0.143 0.800 0.400 2.012     352.455     300.000       6.799    0 
-    750000      150000.00      36.481     -41.645      -5.164   4.86 0.286 0.692 0.266 1.074     330.971     300.000       7.369    0 
-    760000      152000.00      45.153     -37.745       7.408   5.34 0.286 0.500 0.312 1.340     409.654     300.000       7.082    0 
-    770000      154000.00      25.920     -43.406     -17.486   5.72 0.214 0.786 0.377 2.325     235.159     300.000       6.873    0 
-    780000      156000.00      46.375     -38.241       8.134   5.44 0.214 0.727 0.401 1.346     420.734     300.000       6.892    0 
-    790000      158000.00      36.067     -39.568      -3.501   5.29 0.214 0.769 0.381 2.500     327.222     300.000       6.992    0 
-    800000      160000.00      33.287     -46.878     -13.591   5.43 0.143 0.889 0.389 1.779     301.999     300.000       6.311    0 
-    810000      162000.00      34.896     -47.498     -12.602   5.57 0.214 0.667 0.268 0.838     316.595     300.000       7.170    0 
-    820000      164000.00      31.923     -40.134      -8.211   5.49 0.143 0.778 0.404 2.106     289.619     300.000       6.912    0 
-    830000      166000.00      33.609     -47.914     -14.304   5.32 0.214 0.786 0.377 2.416     304.921     300.000       6.698    0 
-    840000      168000.00      47.623     -34.205      13.418   5.66 0.286 0.600 0.236 3.059     432.061     300.000       6.775    0 
-    850000      170000.00      29.485     -36.771      -7.287   6.38 0.071 0.857 0.351 1.529     267.499     300.000       6.972    0 
-    860000      172000.00      40.235     -35.745       4.490   5.46 0.143 0.833 0.326 2.372     365.033     300.000       6.725    0 
-    870000      174000.00      36.761     -41.052      -4.291   5.15 0.071 0.917 0.432 1.475     333.516     300.000       6.601    0 
-    880000      176000.00      32.319     -38.982      -6.663   5.61 0.214 0.812 0.364 1.876     293.211     300.000       7.052    0 
-    890000      178000.00      52.991     -34.467      18.524   5.38 0.357 0.615 0.427 2.464     480.762     300.000       7.179    0 
-    900000      180000.00      36.445     -41.189      -4.744   5.03 0.071 0.889 0.394 0.853     330.650     300.000       7.516    0 
-    910000      182000.00      29.419     -30.946      -1.527   4.62 0.214 0.667 0.404 1.374     266.903     300.000       6.966    0 
-    920000      184000.00      36.295     -37.917      -1.622   5.20 0.071 0.900 0.323 1.142     329.287     300.000       7.116    0 
-    930000      186000.00      28.437     -51.806     -23.370   5.25 0.357 0.667 0.297 1.474     257.992     300.000       7.138    0 
-    940000      188000.00      30.599     -33.081      -2.482   5.01 0.214 0.750 0.405 1.435     277.609     300.000       6.928    0 
-    950000      190000.00      43.534     -31.087      12.447   4.79 0.286 0.600 0.227 2.005     394.964     300.000       6.923    0 
-    960000      192000.00      36.309     -41.505      -5.196   5.14 0.357 0.643 0.318 2.221     329.416     300.000       7.008    0 
-    970000      194000.00      33.434     -42.964      -9.530   5.09 0.214 0.750 0.394 1.892     303.328     300.000       7.003    0 
-    980000      196000.00      36.082     -34.526       1.557   4.94 0.214 0.769 0.364 2.108     327.356     300.000       6.872    0 
-    990000      198000.00      34.506     -36.068      -1.562   4.64 0.214 0.625 0.392 0.788     313.055     300.000       7.035    0 
-   1000000      200000.00      29.273     -40.411     -11.138   5.06 0.214 0.750 0.413 3.389     265.580     300.000       7.319    0 
+         0           0.00      31.622      24.828      56.450  12.87 0.000   NaN   NaN 0.708     286.889     300.000      15.552    0 
+     10000        2000.00      33.507     -10.927      22.580  11.16 0.000   NaN   NaN 1.764     303.991     300.000      14.830    0 
+     20000        4000.00      36.286      -4.416      31.870   9.12 0.000 1.000 0.273 1.492     329.207     300.000      12.930    0 
+     30000        6000.00      39.071      -1.481      37.591  13.39 0.000   NaN   NaN 3.997     354.475     300.000      16.870    0 
+     40000        8000.00      43.981       0.721      44.702  12.80 0.000   NaN   NaN 1.826     399.017     300.000      15.894    0 
+     50000       10000.00      29.521      -8.789      20.732  13.97 0.000   NaN   NaN 1.577     267.828     300.000      17.417    0 
+     60000       12000.00      40.085     -20.254      19.831   7.79 0.071 0.667 0.227 1.112     363.670     300.000      10.586    0 
+     70000       14000.00      31.469     -12.637      18.833   9.76 0.071 0.500 0.205 1.799     285.507     300.000      12.961    0 
+     80000       16000.00      30.797     -11.856      18.941   9.97 0.143 0.000 0.159 1.387     279.408     300.000      13.348    0 
+     90000       18000.00      35.700     -14.469      21.231  11.04 0.071 0.500 0.159 2.084     323.890     300.000      14.428    0 
+    100000       20000.00      25.077     -19.489       5.588   6.70 0.000 1.000 0.212 2.040     227.513     300.000      11.039    0 
+    110000       22000.00      41.987     -13.683      28.304   6.97 0.071 0.833 0.250 1.156     380.925     300.000      10.324    0 
+    120000       24000.00      32.893     -35.265      -2.372   5.08 0.071 0.875 0.256 1.106     298.420     300.000       8.345    0 
+    130000       26000.00      27.433     -27.779      -0.346   6.96 0.143 0.778 0.197 1.470     248.885     300.000       9.416    0 
+    140000       28000.00      25.650     -30.651      -5.001   7.05 0.143 0.818 0.264 1.364     232.711     300.000       7.913    0 
+    150000       30000.00      34.210     -34.432      -0.223   6.98 0.214 0.727 0.244 1.957     310.368     300.000       7.439    0 
+    160000       32000.00      42.185     -24.558      17.627   6.74 0.071 0.917 0.303 2.085     382.725     300.000       7.123    0 
+    170000       34000.00      32.920     -43.743     -10.822   6.58 0.286 0.600 0.227 1.630     298.671     300.000       7.329    0 
+    180000       36000.00      36.775     -41.210      -4.434   4.90 0.429 0.500 0.201 1.796     333.645     300.000       8.491    0 
+    190000       38000.00      41.898     -32.644       9.254   4.35 0.286 0.600 0.195 1.278     380.119     300.000       7.388    0 
+    200000       40000.00      31.774     -38.133      -6.359   5.66 0.357 0.444 0.177 2.044     288.268     300.000       8.075    0 
+    210000       42000.00      28.475     -29.628      -1.154   6.80 0.286 0.667 0.212 3.400     258.338     300.000       7.399    0 
+    220000       44000.00      36.622     -26.908       9.714   6.80 0.357 0.643 0.256 1.181     332.251     300.000       7.071    0 
+    230000       46000.00      28.964     -27.652       1.313   6.47 0.214 0.571 0.208 3.174     262.778     300.000       8.348    0 
+    240000       48000.00      32.241     -30.209       2.032   6.54 0.286 0.429 0.266 2.163     292.503     300.000       7.081    0 
+    250000       50000.00      40.260     -39.811       0.449   6.43 0.357 0.545 0.285 2.270     365.264     300.000       6.915    0 
+    260000       52000.00      32.652     -35.104      -2.452   5.20 0.214 0.727 0.227 1.753     296.232     300.000       7.330    0 
+    270000       54000.00      32.725     -26.542       6.182   4.83 0.357 0.500 0.186 1.616     296.894     300.000       7.230    0 
+    280000       56000.00      34.150     -23.541      10.609   5.03 0.286 0.429 0.312 2.353     309.826     300.000       6.912    0 
+    290000       58000.00      30.275     -33.568      -3.293   5.64 0.143 0.778 0.298 1.351     274.671     300.000       7.051    0 
+    300000       60000.00      43.001     -29.976      13.024   6.80 0.071 0.857 0.221 1.611     390.123     300.000       7.681    0 
+    310000       62000.00      41.427     -32.952       8.475   6.24 0.143 0.778 0.237 2.118     375.851     300.000       7.004    0 
+    320000       64000.00      32.722     -31.045       1.677   3.97 0.357 0.615 0.273 1.841     296.871     300.000       6.954    0 
+    330000       66000.00      28.303     -24.063       4.240   4.58 0.214 0.727 0.393 1.732     256.777     300.000       7.224    0 
+    340000       68000.00      36.598     -31.607       4.991   4.29 0.071 0.833 0.197 1.769     332.035     300.000       7.171    0 
+    350000       70000.00      34.195     -30.716       3.479   3.87 0.429 0.667 0.273 1.320     310.237     300.000       6.610    0 
+    360000       72000.00      31.337     -30.375       0.962   4.55 0.143 0.667 0.220 1.413     284.305     300.000       7.701    0 
+    370000       74000.00      36.086     -36.683      -0.597   3.47 0.429 0.538 0.294 1.226     327.391     300.000       7.355    0 
+    380000       76000.00      38.902     -35.123       3.779   3.37 0.143 0.846 0.311 1.055     352.939     300.000       6.933    0 
+    390000       78000.00      31.278     -37.735      -6.457   6.62 0.357 0.545 0.207 1.429     283.768     300.000       7.967    0 
+    400000       80000.00      33.528     -30.542       2.986   6.69 0.143 0.833 0.307 2.225     304.187     300.000       6.873    0 
+    410000       82000.00      37.485     -24.044      13.440   4.79 0.429 0.455 0.343 1.137     340.081     300.000       6.737    0 
+    420000       84000.00      32.469     -37.446      -4.977   4.48 0.214 0.667 0.333 1.617     294.578     300.000       7.349    0 
+    430000       86000.00      30.342     -29.554       0.788   4.86 0.071 0.875 0.278 1.179     275.278     300.000       7.232    0 
+    440000       88000.00      34.977     -30.775       4.202   4.95 0.429 0.455 0.231 2.301     317.333     300.000       7.415    0 
+    450000       90000.00      29.039     -43.055     -14.015   4.11 0.429 0.600 0.324 0.965     263.461     300.000       7.080    0 
+    460000       92000.00      35.260     -26.977       8.284   5.00 0.214 0.571 0.260 1.334     319.900     300.000       7.089    0 
+    470000       94000.00      34.229     -41.263      -7.034   5.08 0.143 0.778 0.258 1.558     310.547     300.000       7.109    0 
+    480000       96000.00      31.501     -39.683      -8.182   5.55 0.286 0.636 0.240 1.473     285.791     300.000       7.129    0 
+    490000       98000.00      42.483     -38.209       4.274   5.21 0.357 0.615 0.339 1.951     385.430     300.000       6.690    0 
+    500000      100000.00      31.951     -37.882      -5.931   5.45 0.214 0.769 0.297 1.535     289.876     300.000       6.978    0 
+    510000      102000.00      28.565     -29.129      -0.564   4.83 0.286 0.692 0.231 1.248     259.158     300.000       7.166    0 
+    520000      104000.00      40.956     -36.432       4.523   4.74 0.214 0.500 0.197 1.236     371.572     300.000       7.440    0 
+    530000      106000.00      27.834     -37.045      -9.211   4.87 0.143 0.667 0.167 2.243     252.522     300.000       7.630    0 
+    540000      108000.00      28.296     -33.083      -4.787   5.25 0.071 0.909 0.318 1.946     256.719     300.000       6.700    0 
+    550000      110000.00      41.793     -42.701      -0.909   5.61 0.357 0.615 0.311 1.602     379.165     300.000       6.325    0 
+    560000      112000.00      46.199     -28.009      18.190   6.66 0.286 0.636 0.273 1.978     419.139     300.000       6.881    0 
+    570000      114000.00      28.349     -42.428     -14.079   5.78 0.143 0.833 0.451 1.919     257.201     300.000       6.883    0 
+    580000      116000.00      33.589     -41.785      -8.196   4.76 0.286 0.692 0.325 1.164     304.734     300.000       7.228    0 
+    590000      118000.00      25.685     -40.542     -14.857   4.49 0.357 0.500 0.264 2.881     233.026     300.000       7.218    0 
+    600000      120000.00      33.554     -36.066      -2.512   5.52 0.357 0.545 0.310 1.872     304.421     300.000       6.780    0 
+    610000      122000.00      32.770     -29.971       2.798   5.43 0.214 0.700 0.323 1.586     297.302     300.000       7.009    0 
+    620000      124000.00      30.536     -43.497     -12.961   4.79 0.357 0.667 0.336 1.317     277.040     300.000       7.005    0 
+    630000      126000.00      35.021     -35.855      -0.834   5.47 0.286 0.600 0.223 0.961     317.729     300.000       6.956    0 
+    640000      128000.00      35.902     -37.698      -1.795   5.03 0.214 0.750 0.239 1.016     325.723     300.000       6.823    0 
+    650000      130000.00      31.559     -32.175      -0.615   5.06 0.357 0.643 0.286 1.808     286.324     300.000       7.369    0 
+    660000      132000.00      27.369     -31.367      -3.998   4.81 0.286 0.636 0.384 1.600     248.303     300.000       7.253    0 
+    670000      134000.00      31.167     -37.491      -6.324   4.59 0.286 0.733 0.233 1.144     282.763     300.000       7.263    0 
+    680000      136000.00      27.640     -30.340      -2.700   5.08 0.429 0.333 0.354 0.698     250.768     300.000       7.263    0 
+    690000      138000.00      35.261     -23.035      12.226   5.01 0.143 0.667 0.235 1.083     319.906     300.000       7.850    0 
+    700000      140000.00      41.047     -23.729      17.318   5.00 0.214 0.400 0.291 1.068     372.400     300.000       7.529    0 
+    710000      142000.00      37.136     -32.919       4.217   4.66 0.143 0.714 0.286 1.653     336.920     300.000       7.201    0 
+    720000      144000.00      31.476     -38.666      -7.191   5.20 0.143 0.833 0.288 1.484     285.563     300.000       7.129    0 
+    730000      146000.00      35.754     -24.089      11.665   5.14 0.214 0.500 0.265 1.907     324.377     300.000       7.492    0 
+    740000      148000.00      38.256     -27.286      10.970   6.00 0.143 0.714 0.396 2.654     347.080     300.000       7.377    0 
+    750000      150000.00      35.032     -32.536       2.495   6.01 0.214 0.625 0.256 1.596     317.826     300.000       7.112    0 
+    760000      152000.00      37.783     -30.354       7.429   5.48 0.214 0.625 0.222 3.149     342.790     300.000       7.754    0 
+    770000      154000.00      26.170     -34.421      -8.251   5.63 0.143 0.800 0.282 1.577     237.428     300.000       6.772    0 
+    780000      156000.00      32.976     -35.343      -2.367   4.73 0.286 0.600 0.441 2.407     299.175     300.000       7.047    0 
+    790000      158000.00      35.334     -21.214      14.120   4.67 0.000 1.000 0.333 2.724     320.564     300.000       8.542    0 
+    800000      160000.00      39.865     -31.595       8.271   4.79 0.143 0.778 0.298 2.120     361.679     300.000       7.394    0 
+    810000      162000.00      33.553     -33.961      -0.408   4.52 0.143 0.778 0.298 3.051     304.406     300.000       7.393    0 
+    820000      164000.00      26.573     -33.251      -6.678   5.01 0.286 0.667 0.299 1.154     241.081     300.000       7.475    0 
+    830000      166000.00      38.091     -27.535      10.556   4.64 0.214 0.667 0.419 2.336     345.577     300.000       7.345    0 
+    840000      168000.00      42.013     -43.208      -1.195   4.93 0.214 0.750 0.341 1.360     381.162     300.000       7.159    0 
+    850000      170000.00      31.035     -34.058      -3.022   5.04 0.214 0.750 0.371 3.660     281.568     300.000       7.434    0 
+    860000      172000.00      32.152     -40.860      -8.707   4.95 0.214 0.750 0.314 2.370     291.701     300.000       7.347    0 
+    870000      174000.00      33.200     -31.096       2.104   3.36 0.143 0.778 0.253 0.697     301.210     300.000       7.203    0 
+    880000      176000.00      35.521     -29.095       6.426   3.91 0.357 0.583 0.303 3.089     322.268     300.000       6.615    0 
+    890000      178000.00      36.090     -34.575       1.515   4.00 0.357 0.643 0.396 3.807     327.430     300.000       6.489    0 
+    900000      180000.00      35.508     -35.564      -0.056   3.88 0.429 0.538 0.276 1.059     322.148     300.000       6.608    0 
+    910000      182000.00      48.776     -33.719      15.057   2.56 0.429 0.143 0.260 2.678     442.519     300.000       7.114    0 
+    920000      184000.00      37.214     -32.865       4.349   4.08 0.214 0.750 0.371 1.928     337.625     300.000       6.672    0 
+    930000      186000.00      32.739     -20.568      12.171   2.14 0.357 0.444 0.323 2.259     297.022     300.000       7.033    0 
+    940000      188000.00      34.465     -34.591      -0.126   3.32 0.286 0.667 0.261 1.414     312.680     300.000       6.771    0 
+    950000      190000.00      32.841     -32.509       0.332   4.77 0.286 0.692 0.357 2.648     297.952     300.000       6.722    0 
+    960000      192000.00      25.501     -38.172     -12.671   3.45 0.429 0.647 0.332 2.080     231.362     300.000       6.576    0 
+    970000      194000.00      27.334     -39.349     -12.015   4.16 0.500 0.588 0.374 2.655     247.989     300.000       6.617    0 
+    980000      196000.00      29.279     -37.183      -7.904   3.19 0.143 0.750 0.330 1.572     265.634     300.000       6.862    0 
+    990000      198000.00      35.512     -29.225       6.287   3.36 0.214 0.700 0.332 0.141     322.183     300.000       7.463    0 
+   1000000      200000.00      34.667     -43.698      -9.031   3.88 0.214 0.727 0.293 2.207     314.516     300.000       6.745    0 
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB001.stat b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB001.stat
index 39b676c..6891099 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB001.stat
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB001.stat
@@ -1,101 +1,101 @@
-         0           0.00      31.974      21.213      53.187  12.87 0.000   NaN   NaN 0.935     290.081     300.000      15.552    1 
-     10000        2000.00      33.959      -3.661      30.298   9.97 0.143 0.333 0.167 1.640     308.091     300.000      14.310    1 
-     20000        4000.00      43.095      -2.553      40.542   9.00 0.000 1.000 0.227 0.894     390.979     300.000      10.734    1 
-     30000        6000.00      34.806     -44.138      -9.331   5.33 0.143 0.818 0.269 1.678     315.782     300.000       7.724    1 
-     40000        8000.00      39.346     -39.845      -0.498   3.97 0.214 0.500 0.205 2.528     356.969     300.000       7.827    1 
-     50000       10000.00      24.786     -38.836     -14.050   6.43 0.143 0.833 0.265 2.867     224.875     300.000       7.293    1 
-     60000       12000.00      35.523     -28.125       7.398   5.82 0.143 0.778 0.232 2.595     322.283     300.000       7.608    1 
-     70000       14000.00      40.529     -32.391       8.138   5.41 0.071 0.900 0.241 1.185     367.698     300.000       8.016    1 
-     80000       16000.00      44.580     -35.676       8.904   3.40 0.143 0.818 0.318 2.637     404.455     300.000       7.123    1 
-     90000       18000.00      32.222     -35.447      -3.226   3.37 0.214 0.786 0.354 1.947     292.333     300.000       6.947    1 
-    100000       20000.00      39.884     -26.621      13.262   3.27 0.214 0.700 0.495 1.664     361.845     300.000       6.669    1 
-    110000       22000.00      36.109     -41.092      -4.983   3.69 0.071 0.909 0.293 1.108     327.603     300.000       6.951    1 
-    120000       24000.00      38.185     -38.241      -0.055   3.25 0.286 0.714 0.438 5.261     346.438     300.000       6.979    1 
-    130000       26000.00      37.233     -39.235      -2.002   3.17 0.143 0.778 0.328 2.709     337.797     300.000       6.655    1 
-    140000       28000.00      35.259     -40.863      -5.604   3.26 0.357 0.643 0.321 1.532     319.887     300.000       6.498    1 
-    150000       30000.00      30.108     -42.927     -12.819   3.51 0.286 0.714 0.256 1.128     273.151     300.000       6.670    1 
-    160000       32000.00      28.945     -50.548     -21.603   3.25 0.429 0.571 0.373 1.140     262.600     300.000       6.736    1 
-    170000       34000.00      29.402     -29.063       0.339   3.13 0.357 0.444 0.258 3.786     266.754     300.000       6.969    1 
-    180000       36000.00      33.180     -42.516      -9.336   3.79 0.214 0.812 0.287 0.949     301.025     300.000       6.546    1 
-    190000       38000.00      38.552     -46.431      -7.879   3.96 0.214 0.750 0.398 2.104     349.767     300.000       6.753    1 
-    200000       40000.00      36.851     -45.850      -8.999   4.49 0.214 0.750 0.295 2.170     334.329     300.000       6.663    1 
-    210000       42000.00      33.496     -43.055      -9.559   2.63 0.286 0.667 0.246 1.730     303.889     300.000       6.805    1 
-    220000       44000.00      34.445     -40.854      -6.409   2.49 0.357 0.583 0.364 2.400     312.505     300.000       6.713    1 
-    230000       46000.00      31.990     -42.681     -10.690   3.00 0.286 0.600 0.236 2.082     290.234     300.000       6.925    1 
-    240000       48000.00      29.696     -37.846      -8.150   2.40 0.429 0.538 0.308 1.679     269.419     300.000       6.711    1 
-    250000       50000.00      39.569     -46.318      -6.748   3.16 0.286 0.636 0.310 1.467     358.992     300.000       6.394    1 
-    260000       52000.00      39.298     -33.115       6.182   1.93 0.286 0.556 0.313 4.151     356.528     300.000       6.783    1 
-    270000       54000.00      36.907     -38.960      -2.053   1.77 0.357 0.583 0.307 1.869     334.838     300.000       6.760    1 
-    280000       56000.00      27.271     -51.878     -24.607   2.64 0.357 0.583 0.326 1.654     247.417     300.000       6.925    1 
-    290000       58000.00      35.128     -45.954     -10.826   2.75 0.357 0.688 0.403 1.692     318.703     300.000       6.471    1 
-    300000       60000.00      42.175     -45.445      -3.269   1.70 0.429 0.333 0.364 2.424     382.637     300.000       6.980    1 
-    310000       62000.00      32.758     -49.420     -16.661   2.49 0.429 0.647 0.283 3.371     297.201     300.000       6.567    1 
-    320000       64000.00      30.094     -45.640     -15.547   1.99 0.429 0.647 0.324 2.485     273.027     300.000       6.954    1 
-    330000       66000.00      31.118     -48.219     -17.102   3.02 0.214 0.800 0.385 1.706     282.316     300.000       6.371    1 
-    340000       68000.00      27.102     -51.930     -24.829   2.65 0.429 0.600 0.270 1.913     245.882     300.000       6.628    1 
-    350000       70000.00      32.725     -45.932     -13.207   2.90 0.500 0.562 0.293 1.961     296.894     300.000       6.714    1 
-    360000       72000.00      35.084     -55.600     -20.516   3.84 0.500 0.588 0.393 1.076     318.301     300.000       6.277    1 
-    370000       74000.00      30.639     -47.398     -16.759   3.93 0.429 0.667 0.374 1.619     277.974     300.000       6.340    1 
-    380000       76000.00      28.693     -48.534     -19.841   3.69 0.286 0.778 0.326 1.065     260.318     300.000       6.214    1 
-    390000       78000.00      45.262     -42.263       2.999   4.70 0.071 0.889 0.273 0.805     410.641     300.000       6.699    1 
-    400000       80000.00      27.134     -40.874     -13.740   3.96 0.143 0.800 0.314 1.049     246.175     300.000       7.058    1 
-    410000       82000.00      32.381     -31.901       0.480   4.03 0.214 0.750 0.307 1.640     293.774     300.000       7.047    1 
-    420000       84000.00      34.688     -49.582     -14.894   4.92 0.071 0.933 0.430 2.006     314.711     300.000       6.808    1 
-    430000       86000.00      29.737     -49.144     -19.407   4.69 0.214 0.769 0.360 1.833     269.789     300.000       6.856    1 
-    440000       88000.00      29.058     -22.700       6.358   3.60 0.214 0.500 0.273 1.533     263.630     300.000       7.402    1 
-    450000       90000.00      31.355     -28.000       3.355   4.25 0.286 0.556 0.308 1.376     284.465     300.000       7.281    1 
-    460000       92000.00      33.633     -45.960     -12.328   4.45 0.286 0.733 0.424 1.440     305.133     300.000       6.942    1 
-    470000       94000.00      38.385     -42.642      -4.257   3.93 0.286 0.500 0.222 1.801     348.252     300.000       7.737    1 
-    480000       96000.00      32.210     -36.253      -4.043   3.73 0.286 0.500 0.193 1.407     292.225     300.000       7.579    1 
-    490000       98000.00      37.585     -36.484       1.101   3.58 0.286 0.556 0.177 3.153     340.989     300.000       7.951    1 
-    500000      100000.00      29.402     -39.674     -10.272   3.38 0.286 0.600 0.227 1.408     266.750     300.000       7.449    1 
-    510000      102000.00      40.862     -22.696      18.166   3.89 0.214 0.727 0.298 1.198     370.723     300.000       6.997    1 
-    520000      104000.00      42.636     -38.969       3.668   4.94 0.429 0.500 0.318 4.471     386.819     300.000       7.197    1 
-    530000      106000.00      37.777     -31.420       6.357   5.12 0.429 0.500 0.292 1.994     342.734     300.000       6.810    1 
-    540000      108000.00      34.567     -35.484      -0.917   3.50 0.357 0.615 0.283 1.687     313.609     300.000       6.839    1 
-    550000      110000.00      35.250     -42.001      -6.751   3.91 0.357 0.667 0.361 0.963     319.809     300.000       6.849    1 
-    560000      112000.00      33.632     -32.913       0.719   2.96 0.429 0.538 0.276 0.777     305.126     300.000       6.561    1 
-    570000      114000.00      42.615     -39.415       3.200   2.46 0.286 0.714 0.370 1.112     386.629     300.000       6.502    1 
-    580000      116000.00      36.382     -34.703       1.678   2.63 0.357 0.444 0.253 5.014     330.075     300.000       6.956    1 
-    590000      118000.00      40.046     -43.132      -3.086   3.28 0.286 0.636 0.360 1.685     363.314     300.000       6.705    1 
-    600000      120000.00      32.042     -46.643     -14.601   2.28 0.357 0.667 0.309 2.094     290.699     300.000       6.616    1 
-    610000      122000.00      35.059     -40.055      -4.997   2.73 0.357 0.583 0.246 2.373     318.069     300.000       6.674    1 
-    620000      124000.00      31.448     -39.200      -7.752   3.29 0.286 0.750 0.335 2.404     285.313     300.000       6.748    1 
-    630000      126000.00      30.710     -52.313     -21.604   3.88 0.500 0.650 0.400 1.274     278.615     300.000       6.144    1 
-    640000      128000.00      29.603     -43.225     -13.622   3.65 0.500 0.562 0.355 2.504     268.574     300.000       6.434    1 
-    650000      130000.00      37.463     -33.049       4.414   3.25 0.214 0.727 0.256 0.879     339.883     300.000       6.611    1 
-    660000      132000.00      46.193     -39.216       6.977   3.14 0.286 0.667 0.280 0.926     419.086     300.000       7.506    1 
-    670000      134000.00      29.997     -47.124     -17.127   3.70 0.429 0.625 0.327 0.995     272.149     300.000       6.596    1 
-    680000      136000.00      35.830     -43.869      -8.039   3.30 0.357 0.688 0.312 1.263     325.067     300.000       6.747    1 
-    690000      138000.00      35.782     -39.767      -3.985   4.25 0.357 0.706 0.388 1.620     324.635     300.000       6.786    1 
-    700000      140000.00      35.842     -39.701      -3.858   4.18 0.286 0.714 0.334 2.490     325.179     300.000       6.566    1 
-    710000      142000.00      40.905     -45.707      -4.803   3.60 0.357 0.688 0.432 1.268     371.110     300.000       6.812    1 
-    720000      144000.00      33.087     -41.987      -8.901   3.93 0.214 0.769 0.423 1.888     300.178     300.000       6.809    1 
-    730000      146000.00      34.107     -36.221      -2.114   3.12 0.214 0.500 0.167 1.322     309.433     300.000       7.706    1 
-    740000      148000.00      37.591     -40.335      -2.744   2.44 0.500 0.417 0.197 1.429     341.041     300.000       7.102    1 
-    750000      150000.00      35.205     -47.138     -11.933   3.20 0.357 0.500 0.236 1.682     319.398     300.000       6.517    1 
-    760000      152000.00      34.183     -33.625       0.558   3.25 0.357 0.722 0.359 1.190     310.127     300.000       6.474    1 
-    770000      154000.00      36.454     -48.976     -12.522   3.52 0.429 0.571 0.224 1.640     330.729     300.000       6.762    1 
-    780000      156000.00      41.901     -41.725       0.176   2.72 0.429 0.400 0.282 2.815     380.148     300.000       7.161    1 
-    790000      158000.00      34.375     -37.432      -3.057   2.47 0.500 0.500 0.286 1.820     311.869     300.000       6.998    1 
-    800000      160000.00      35.866     -40.038      -4.172   3.95 0.214 0.769 0.385 0.505     325.394     300.000       6.765    1 
-    810000      162000.00      35.221     -46.565     -11.344   3.66 0.357 0.643 0.373 1.142     319.543     300.000       6.799    1 
-    820000      164000.00      37.234     -44.211      -6.977   3.51 0.143 0.714 0.279 0.933     337.807     300.000       6.901    1 
-    830000      166000.00      35.744     -44.496      -8.751   3.95 0.286 0.692 0.290 2.297     324.291     300.000       6.701    1 
-    840000      168000.00      34.552     -48.750     -14.198   3.86 0.286 0.750 0.310 1.966     313.477     300.000       6.506    1 
-    850000      170000.00      34.878     -45.982     -11.103   3.81 0.357 0.643 0.412 1.947     316.436     300.000       6.484    1 
-    860000      172000.00      32.878     -40.667      -7.789   2.31 0.357 0.545 0.236 1.708     298.286     300.000       7.064    1 
-    870000      174000.00      30.147     -52.354     -22.207   2.72 0.214 0.750 0.360 1.649     273.505     300.000       6.675    1 
-    880000      176000.00      27.359     -43.004     -15.645   2.97 0.214 0.769 0.336 1.884     248.216     300.000       6.700    1 
-    890000      178000.00      31.353     -29.596       1.757   3.85 0.214 0.750 0.383 2.362     284.452     300.000       6.831    1 
-    900000      180000.00      37.358     -44.744      -7.386   3.45 0.143 0.833 0.402 1.906     338.928     300.000       7.130    1 
-    910000      182000.00      28.507     -35.862      -7.356   4.15 0.071 0.923 0.371 1.241     258.626     300.000       6.760    1 
-    920000      184000.00      34.449     -35.394      -0.945   2.78 0.214 0.727 0.240 2.371     312.537     300.000       7.178    1 
-    930000      186000.00      42.323     -42.401      -0.078   3.61 0.214 0.833 0.323 1.579     383.978     300.000       7.019    1 
-    940000      188000.00      37.086     -31.210       5.875   3.25 0.357 0.615 0.311 2.528     336.459     300.000       6.654    1 
-    950000      190000.00      35.999     -43.551      -7.552   3.48 0.214 0.727 0.380 1.873     326.601     300.000       7.329    1 
-    960000      192000.00      35.852     -42.693      -6.840   2.79 0.286 0.556 0.247 2.142     325.268     300.000       7.494    1 
-    970000      194000.00      47.121     -35.907      11.213   3.49 0.357 0.667 0.282 1.794     427.505     300.000       7.096    1 
-    980000      196000.00      38.027     -38.045      -0.018   3.99 0.357 0.444 0.354 1.866     344.997     300.000       7.202    1 
-    990000      198000.00      37.409     -45.188      -7.779   4.21 0.286 0.667 0.352 2.887     339.390     300.000       7.171    1 
-   1000000      200000.00      32.793     -36.225      -3.432   3.66 0.500 0.533 0.336 1.247     297.518     300.000       6.802    1 
+         0           0.00      30.401      24.828      55.229  12.87 0.000   NaN   NaN 0.708     275.816     300.000      15.552    1 
+     10000        2000.00      39.754       5.993      45.747  12.03 0.000   NaN   NaN 2.176     360.668     300.000      15.498    1 
+     20000        4000.00      30.397      -9.832      20.565  11.96 0.000   NaN   NaN 1.606     275.780     300.000      14.875    1 
+     30000        6000.00      35.271      -2.385      32.885   9.89 0.071 0.000 0.182 2.822     319.994     300.000      13.568    1 
+     40000        8000.00      44.600     -21.504      23.097  11.27 0.071 0.667 0.182 1.633     404.637     300.000      14.520    1 
+     50000       10000.00      28.713     -12.972      15.741  10.83 0.071 0.667 0.152 1.369     260.502     300.000      14.695    1 
+     60000       12000.00      34.152     -12.919      21.233  10.47 0.071 0.667 0.136 2.047     309.845     300.000      13.243    1 
+     70000       14000.00      36.803     -27.016       9.787   8.68 0.286 0.429 0.162 1.806     333.897     300.000      11.615    1 
+     80000       16000.00      37.278     -26.824      10.454  10.59 0.143 0.600 0.145 2.094     338.202     300.000      13.607    1 
+     90000       18000.00      36.120     -16.499      19.621   8.98 0.143 0.333 0.152 2.278     327.698     300.000      11.677    1 
+    100000       20000.00      36.369     -29.370       6.999   7.83 0.071 0.833 0.167 1.595     329.963     300.000      10.585    1 
+    110000       22000.00      38.646     -36.894       1.752   5.14 0.500 0.562 0.352 1.633     350.612     300.000       6.809    1 
+    120000       24000.00      25.649     -41.629     -15.979   5.28 0.286 0.692 0.238 2.043     232.704     300.000       6.436    1 
+    130000       26000.00      33.597     -34.528      -0.932   5.76 0.357 0.643 0.321 1.964     304.806     300.000       6.622    1 
+    140000       28000.00      32.971     -21.658      11.312   5.06 0.286 0.600 0.386 1.366     299.127     300.000       6.845    1 
+    150000       30000.00      25.420     -36.465     -11.045   5.15 0.429 0.500 0.413 1.491     230.620     300.000       6.829    1 
+    160000       32000.00      38.778     -23.608      15.171   5.13 0.286 0.636 0.355 0.808     351.818     300.000       6.827    1 
+    170000       34000.00      39.592     -21.997      17.595   5.85 0.143 0.667 0.318 2.149     359.196     300.000       8.309    1 
+    180000       36000.00      41.997     -21.004      20.992   6.12 0.286 0.500 0.188 2.461     381.016     300.000       8.646    1 
+    190000       38000.00      34.029     -34.495      -0.467   5.23 0.071 0.875 0.318 1.816     308.726     300.000       7.361    1 
+    200000       40000.00      25.939     -32.308      -6.369   5.06 0.429 0.571 0.380 2.144     235.330     300.000       6.387    1 
+    210000       42000.00      40.531     -35.874       4.656   5.24 0.357 0.444 0.354 0.926     367.715     300.000       7.232    1 
+    220000       44000.00      36.913     -19.095      17.818   5.44 0.214 0.571 0.390 2.588     334.897     300.000       7.483    1 
+    230000       46000.00      29.359     -29.563      -0.204   5.72 0.143 0.600 0.509 2.288     266.360     300.000       7.728    1 
+    240000       48000.00      35.199     -31.047       4.152   4.77 0.286 0.500 0.222 2.638     319.341     300.000       7.357    1 
+    250000       50000.00      34.913     -37.827      -2.914   4.76 0.143 0.800 0.282 1.333     316.753     300.000       7.204    1 
+    260000       52000.00      31.720     -24.915       6.805   4.68 0.286 0.636 0.231 2.552     287.782     300.000       6.917    1 
+    270000       54000.00      34.667     -33.125       1.541   4.17 0.143 0.714 0.253 0.741     314.515     300.000       7.988    1 
+    280000       56000.00      30.568     -29.463       1.104   4.64 0.286 0.692 0.220 1.961     277.326     300.000       7.752    1 
+    290000       58000.00      34.973     -30.589       4.384   4.90 0.143 0.714 0.188 0.804     317.295     300.000       7.672    1 
+    300000       60000.00      38.663     -18.701      19.962   4.96 0.071 0.833 0.295 2.321     350.767     300.000       7.493    1 
+    310000       62000.00      34.856     -32.135       2.721   4.54 0.214 0.700 0.318 1.366     316.229     300.000       6.842    1 
+    320000       64000.00      35.289     -23.588      11.701   4.86 0.357 0.643 0.266 1.172     320.161     300.000       6.628    1 
+    330000       66000.00      33.103     -45.846     -12.743   5.45 0.286 0.733 0.288 1.513     300.328     300.000       6.920    1 
+    340000       68000.00      31.276     -34.189      -2.913   5.82 0.214 0.750 0.273 2.173     283.748     300.000       6.962    1 
+    350000       70000.00      30.785     -38.228      -7.442   5.76 0.143 0.867 0.339 0.899     279.300     300.000       6.746    1 
+    360000       72000.00      35.848     -31.155       4.693   5.57 0.143 0.833 0.379 1.107     325.233     300.000       7.045    1 
+    370000       74000.00      31.865     -31.849       0.016   4.38 0.286 0.600 0.223 1.896     289.092     300.000       7.110    1 
+    380000       76000.00      32.151     -40.494      -8.343   4.95 0.214 0.727 0.310 2.573     291.691     300.000       6.870    1 
+    390000       78000.00      39.143     -37.033       2.110   4.71 0.357 0.500 0.314 1.369     355.127     300.000       7.569    1 
+    400000       80000.00      35.056     -31.200       3.857   4.63 0.286 0.600 0.236 2.099     318.049     300.000       7.259    1 
+    410000       82000.00      30.157     -30.068       0.089   5.70 0.143 0.667 0.189 2.410     273.596     300.000       7.559    1 
+    420000       84000.00      33.559     -31.324       2.235   5.46 0.143 0.750 0.347 1.039     304.463     300.000       6.953    1 
+    430000       86000.00      36.567     -33.042       3.526   6.08 0.143 0.846 0.406 2.622     331.758     300.000       6.831    1 
+    440000       88000.00      33.626     -35.003      -1.377   5.54 0.143 0.818 0.335 1.442     305.076     300.000       6.967    1 
+    450000       90000.00      29.783     -33.811      -4.028   4.97 0.143 0.500 0.318 1.908     270.206     300.000       7.138    1 
+    460000       92000.00      32.850     -27.379       5.471   5.87 0.143 0.714 0.318 1.511     298.032     300.000       6.953    1 
+    470000       94000.00      28.748     -26.675       2.073   5.99 0.143 0.714 0.305 3.128     260.814     300.000       7.080    1 
+    480000       96000.00      35.478     -35.917      -0.439   5.35 0.143 0.846 0.360 1.606     321.876     300.000       6.925    1 
+    490000       98000.00      28.594     -41.658     -13.064   4.17 0.286 0.556 0.338 1.198     259.421     300.000       7.342    1 
+    500000      100000.00      35.740     -26.520       9.221   5.67 0.357 0.667 0.312 1.423     324.256     300.000       6.601    1 
+    510000      102000.00      35.003     -40.947      -5.943   6.04 0.214 0.667 0.232 1.079     317.567     300.000       7.251    1 
+    520000      104000.00      33.064     -32.531       0.533   4.67 0.357 0.545 0.339 2.471     299.975     300.000       7.280    1 
+    530000      106000.00      32.758     -27.396       5.362   5.59 0.143 0.750 0.261 2.367     297.201     300.000       7.453    1 
+    540000      108000.00      40.419     -25.271      15.148   5.16 0.214 0.625 0.188 1.268     366.701     300.000       7.696    1 
+    550000      110000.00      31.836     -39.922      -8.086   5.52 0.143 0.833 0.345 1.453     288.830     300.000       6.825    1 
+    560000      112000.00      37.984     -37.803       0.181   4.31 0.214 0.750 0.322 1.794     344.615     300.000       7.223    1 
+    570000      114000.00      40.957     -15.994      24.963   4.33 0.071 0.900 0.291 3.070     371.579     300.000       7.006    1 
+    580000      116000.00      32.093     -35.156      -3.063   4.06 0.214 0.667 0.364 0.720     291.167     300.000       7.626    1 
+    590000      118000.00      33.654     -28.832       4.822   4.49 0.071 0.833 0.333 2.006     305.322     300.000       7.615    1 
+    600000      120000.00      32.840     -32.193       0.647   4.40 0.286 0.692 0.329 1.877     297.938     300.000       6.761    1 
+    610000      122000.00      43.049     -31.857      11.192   4.93 0.143 0.778 0.288 2.726     390.559     300.000       7.682    1 
+    620000      124000.00      38.007     -17.542      20.465   5.08 0.286 0.600 0.223 2.475     344.819     300.000       7.761    1 
+    630000      126000.00      34.729     -21.922      12.806   4.11 0.143 0.818 0.409 2.269     315.075     300.000       7.474    1 
+    640000      128000.00      26.442     -21.930       4.511   3.81 0.214 0.625 0.369 2.576     239.895     300.000       8.418    1 
+    650000      130000.00      33.146     -19.828      13.318   4.53 0.214 0.667 0.338 2.093     300.716     300.000       8.079    1 
+    660000      132000.00      32.837     -20.069      12.768   5.09 0.143 0.778 0.394 2.576     297.914     300.000       8.158    1 
+    670000      134000.00      35.430     -28.640       6.790   5.25 0.214 0.667 0.293 1.516     321.443     300.000       7.647    1 
+    680000      136000.00      34.761     -32.887       1.874   5.24 0.214 0.700 0.341 2.502     315.372     300.000       7.021    1 
+    690000      138000.00      36.916     -40.035      -3.119   3.95 0.143 0.882 0.318 1.169     334.921     300.000       6.886    1 
+    700000      140000.00      32.914     -34.999      -2.085   4.71 0.214 0.750 0.436 1.521     298.615     300.000       6.899    1 
+    710000      142000.00      33.926     -38.121      -4.195   5.87 0.214 0.812 0.381 1.336     307.793     300.000       6.712    1 
+    720000      144000.00      34.897     -40.923      -6.026   5.68 0.286 0.750 0.372 2.279     316.601     300.000       6.673    1 
+    730000      146000.00      35.743     -38.403      -2.660   5.06 0.214 0.786 0.347 1.543     324.279     300.000       6.675    1 
+    740000      148000.00      39.304     -39.216       0.087   4.60 0.214 0.667 0.237 1.101     356.585     300.000       7.232    1 
+    750000      150000.00      32.627     -44.254     -11.628   5.07 0.357 0.667 0.364 1.508     296.007     300.000       6.784    1 
+    760000      152000.00      39.699     -37.429       2.270   5.57 0.143 0.800 0.332 2.815     360.167     300.000       6.855    1 
+    770000      154000.00      35.064     -31.607       3.458   5.16 0.214 0.786 0.302 0.751     318.122     300.000       6.947    1 
+    780000      156000.00      45.540     -22.720      22.820   4.30 0.214 0.700 0.327 1.847     413.163     300.000       7.430    1 
+    790000      158000.00      37.756     -27.012      10.744   3.70 0.214 0.700 0.286 0.915     342.542     300.000       7.833    1 
+    800000      160000.00      30.894     -22.215       8.680   4.26 0.214 0.571 0.286 1.931     280.289     300.000       7.644    1 
+    810000      162000.00      34.358     -34.214       0.144   4.40 0.214 0.727 0.326 2.951     311.712     300.000       7.268    1 
+    820000      164000.00      32.449     -35.700      -3.251   4.66 0.143 0.750 0.330 1.458     294.393     300.000       7.470    1 
+    830000      166000.00      40.807     -27.723      13.083   4.54 0.214 0.727 0.231 2.178     370.219     300.000       7.471    1 
+    840000      168000.00      33.977     -29.372       4.605   4.56 0.143 0.800 0.286 3.394     308.258     300.000       7.022    1 
+    850000      170000.00      32.056     -30.572       1.484   4.64 0.214 0.750 0.303 2.820     290.827     300.000       7.197    1 
+    860000      172000.00      30.086     -24.066       6.020   4.47 0.214 0.700 0.359 1.156     272.954     300.000       7.250    1 
+    870000      174000.00      46.973     -43.725       3.248   4.52 0.357 0.667 0.300 1.976     426.160     300.000       7.288    1 
+    880000      176000.00      35.774     -43.289      -7.514   5.20 0.286 0.692 0.308 1.791     324.565     300.000       7.068    1 
+    890000      178000.00      44.820     -39.726       5.094   5.42 0.357 0.615 0.385 2.872     406.632     300.000       6.778    1 
+    900000      180000.00      37.711     -19.462      18.248   4.67 0.071 0.875 0.426 1.837     342.131     300.000       7.462    1 
+    910000      182000.00      41.599     -18.316      23.283   4.30 0.071 0.900 0.295 2.173     377.411     300.000       7.444    1 
+    920000      184000.00      29.132     -29.270      -0.139   5.63 0.071 0.889 0.288 1.419     264.298     300.000       6.910    1 
+    930000      186000.00      44.132     -40.327       3.805   5.11 0.357 0.643 0.364 1.637     400.386     300.000       6.842    1 
+    940000      188000.00      46.248     -22.638      23.610   4.28 0.357 0.375 0.301 1.784     419.586     300.000       7.406    1 
+    950000      190000.00      27.827     -37.045      -9.217   5.62 0.143 0.800 0.368 1.739     252.463     300.000       7.055    1 
+    960000      192000.00      36.579     -35.342       1.236   4.99 0.214 0.700 0.282 1.851     331.860     300.000       6.724    1 
+    970000      194000.00      35.803     -39.718      -3.916   4.21 0.286 0.667 0.375 1.397     324.820     300.000       7.250    1 
+    980000      196000.00      34.170     -37.861      -3.691   5.23 0.357 0.615 0.245 1.335     310.008     300.000       6.952    1 
+    990000      198000.00      38.176     -27.668      10.508   4.70 0.214 0.400 0.145 2.840     346.351     300.000       8.014    1 
+   1000000      200000.00      29.987     -36.392      -6.405   5.29 0.286 0.600 0.305 2.341     272.057     300.000       7.253    1 
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB002.stat b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB002.stat
index 0da0831..7a0aa46 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB002.stat
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB002.stat
@@ -1,101 +1,101 @@
-         0           0.00      31.805      21.213      53.018  12.87 0.000   NaN   NaN 0.935     288.554     300.000      15.552    2 
-     10000        2000.00      37.369      -9.319      28.051  10.58 0.071 0.667 0.167 1.175     339.034     300.000      13.915    2 
-     20000        4000.00      31.702     -16.958      14.744   8.91 0.214 0.000 0.152 2.283     287.621     300.000      12.293    2 
-     30000        6000.00      32.607     -12.047      20.560   9.21 0.071 0.800 0.173 2.811     295.829     300.000      11.856    2 
-     40000        8000.00      32.123     -22.503       9.620   7.14 0.000 1.000 0.273 1.045     291.438     300.000       9.180    2 
-     50000       10000.00      36.124      -5.671      30.452   5.67 0.214 0.625 0.199 2.164     327.732     300.000       7.236    2 
-     60000       12000.00      24.654     -25.946      -1.292   6.13 0.071 0.923 0.322 1.658     223.671     300.000       7.453    2 
-     70000       14000.00      28.938     -35.486      -6.548   6.48 0.214 0.750 0.295 1.411     262.541     300.000       7.568    2 
-     80000       16000.00      38.734     -42.764      -4.030   5.79 0.214 0.700 0.286 1.323     351.418     300.000       7.210    2 
-     90000       18000.00      38.547     -42.409      -3.862   5.35 0.143 0.818 0.388 1.508     349.722     300.000       6.686    2 
-    100000       20000.00      41.016     -24.432      16.584   5.36 0.214 0.769 0.378 1.911     372.122     300.000       6.777    2 
-    110000       22000.00      34.750     -48.127     -13.377   5.43 0.214 0.750 0.311 1.079     315.269     300.000       6.816    2 
-    120000       24000.00      36.616     -42.056      -5.440   5.52 0.286 0.789 0.328 3.197     332.200     300.000       6.828    2 
-    130000       26000.00      37.490     -42.234      -4.745   5.72 0.214 0.800 0.397 3.727     340.125     300.000       6.775    2 
-    140000       28000.00      29.673     -37.098      -7.425   5.32 0.143 0.846 0.381 2.091     269.206     300.000       6.978    2 
-    150000       30000.00      30.536     -42.696     -12.160   5.54 0.357 0.667 0.385 2.053     277.043     300.000       6.997    2 
-    160000       32000.00      32.641     -29.771       2.870   5.52 0.143 0.778 0.374 0.998     296.137     300.000       7.330    2 
-    170000       34000.00      40.163     -39.235       0.927   5.54 0.286 0.733 0.464 1.322     364.377     300.000       6.689    2 
-    180000       36000.00      37.870     -38.206      -0.336   5.14 0.429 0.400 0.345 2.378     343.573     300.000       7.084    2 
-    190000       38000.00      33.784     -31.516       2.268   5.92 0.286 0.667 0.333 1.318     306.506     300.000       6.436    2 
-    200000       40000.00      33.564     -39.208      -5.644   5.44 0.286 0.667 0.383 2.124     304.514     300.000       7.135    2 
-    210000       42000.00      34.665     -40.668      -6.003   5.71 0.143 0.778 0.263 1.409     314.496     300.000       7.118    2 
-    220000       44000.00      30.721     -34.688      -3.968   5.29 0.286 0.692 0.301 2.443     278.714     300.000       6.656    2 
-    230000       46000.00      28.420     -44.566     -16.146   6.50 0.214 0.667 0.308 2.294     257.844     300.000       7.043    2 
-    240000       48000.00      27.840     -38.153     -10.313   6.00 0.214 0.800 0.379 1.354     252.574     300.000       6.788    2 
-    250000       50000.00      37.262     -31.374       5.888   5.28 0.214 0.824 0.393 2.530     338.060     300.000       7.182    2 
-    260000       52000.00      32.834     -40.300      -7.466   4.96 0.357 0.643 0.282 2.719     297.891     300.000       6.545    2 
-    270000       54000.00      43.800     -26.923      16.877   5.27 0.071 0.889 0.258 1.646     397.380     300.000       7.112    2 
-    280000       56000.00      26.933     -37.992     -11.059   5.63 0.071 0.857 0.253 1.607     244.354     300.000       7.554    2 
-    290000       58000.00      26.926     -46.958     -20.032   5.02 0.214 0.824 0.390 1.296     244.286     300.000       6.975    2 
-    300000       60000.00      52.759     -46.478       6.281   4.96 0.357 0.500 0.259 2.637     478.654     300.000       7.305    2 
-    310000       62000.00      27.148     -44.328     -17.180   4.50 0.286 0.500 0.301 1.192     246.297     300.000       7.171    2 
-    320000       64000.00      53.415     -36.002      17.412   5.25 0.429 0.500 0.258 3.004     484.604     300.000       6.662    2 
-    330000       66000.00      31.554     -26.717       4.837   6.64 0.214 0.625 0.278 1.980     286.276     300.000       6.994    2 
-    340000       68000.00      39.777     -44.523      -4.746   7.33 0.214 0.571 0.221 1.917     360.876     300.000       7.530    2 
-    350000       70000.00      31.547     -47.404     -15.857   6.38 0.286 0.636 0.289 2.110     286.214     300.000       6.957    2 
-    360000       72000.00      41.869     -45.471      -3.603   5.84 0.286 0.692 0.294 2.632     379.854     300.000       6.779    2 
-    370000       74000.00      37.201     -50.468     -13.267   4.93 0.429 0.455 0.211 1.955     337.506     300.000       6.995    2 
-    380000       76000.00      37.408     -28.149       9.258   5.37 0.214 0.727 0.240 2.117     339.382     300.000       7.154    2 
-    390000       78000.00      29.715     -46.676     -16.961   5.47 0.286 0.636 0.289 2.141     269.588     300.000       7.092    2 
-    400000       80000.00      38.331     -39.800      -1.469   4.94 0.143 0.714 0.299 1.981     347.758     300.000       6.713    2 
-    410000       82000.00      38.038     -34.604       3.434   5.39 0.286 0.692 0.374 1.081     345.104     300.000       6.750    2 
-    420000       84000.00      31.462     -39.922      -8.460   4.76 0.357 0.583 0.284 3.331     285.437     300.000       6.901    2 
-    430000       86000.00      31.885     -42.948     -11.062   5.67 0.143 0.750 0.330 0.682     289.278     300.000       7.136    2 
-    440000       88000.00      32.566     -36.115      -3.549   5.76 0.143 0.800 0.382 1.169     295.456     300.000       6.869    2 
-    450000       90000.00      35.347     -45.900     -10.553   5.75 0.214 0.812 0.366 1.928     320.686     300.000       6.762    2 
-    460000       92000.00      31.432     -42.419     -10.988   6.23 0.143 0.833 0.398 1.700     285.163     300.000       6.741    2 
-    470000       94000.00      31.991     -42.817     -10.826   6.42 0.143 0.818 0.368 1.960     290.236     300.000       6.670    2 
-    480000       96000.00      39.971     -56.108     -16.137   6.01 0.214 0.833 0.301 1.767     362.637     300.000       6.665    2 
-    490000       98000.00      36.917     -45.101      -8.184   6.09 0.143 0.857 0.354 1.557     334.930     300.000       6.792    2 
-    500000      100000.00      28.652     -35.096      -6.445   4.54 0.357 0.643 0.240 2.044     259.942     300.000       7.074    2 
-    510000      102000.00      53.919     -30.274      23.645   5.17 0.143 0.750 0.307 3.241     489.180     300.000       6.791    2 
-    520000      104000.00      37.055     -42.633      -5.578   5.19 0.214 0.800 0.348 2.025     336.179     300.000       6.407    2 
-    530000      106000.00      35.999     -35.649       0.350   5.88 0.143 0.818 0.347 2.685     326.604     300.000       7.047    2 
-    540000      108000.00      41.136     -47.276      -6.140   5.84 0.214 0.800 0.330 2.269     373.211     300.000       6.838    2 
-    550000      110000.00      34.564     -39.222      -4.658   6.05 0.143 0.818 0.364 1.935     313.582     300.000       6.897    2 
-    560000      112000.00      36.258     -52.916     -16.658   5.79 0.286 0.692 0.409 1.448     328.954     300.000       6.863    2 
-    570000      114000.00      37.903     -42.681      -4.778   4.90 0.214 0.625 0.381 1.003     343.877     300.000       7.146    2 
-    580000      116000.00      36.293     -43.983      -7.690   5.92 0.357 0.615 0.315 1.482     329.266     300.000       6.645    2 
-    590000      118000.00      35.414     -48.423     -13.009   6.35 0.214 0.800 0.415 1.030     321.290     300.000       6.485    2 
-    600000      120000.00      41.634     -39.799       1.835   6.24 0.214 0.800 0.306 1.583     377.725     300.000       6.590    2 
-    610000      122000.00      44.158     -42.277       1.881   5.81 0.143 0.833 0.428 1.199     400.626     300.000       6.897    2 
-    620000      124000.00      25.684     -46.961     -21.276   5.99 0.286 0.692 0.329 1.458     233.022     300.000       6.713    2 
-    630000      126000.00      30.341     -45.307     -14.966   6.15 0.143 0.833 0.311 1.242     275.268     300.000       6.634    2 
-    640000      128000.00      40.354     -48.181      -7.827   5.53 0.214 0.750 0.379 1.565     366.111     300.000       6.769    2 
-    650000      130000.00      42.053     -35.991       6.061   5.89 0.214 0.786 0.364 1.219     381.523     300.000       6.647    2 
-    660000      132000.00      50.001     -49.293       0.708   5.95 0.286 0.750 0.398 1.878     453.639     300.000       6.742    2 
-    670000      134000.00      32.065     -41.023      -8.958   5.90 0.214 0.750 0.337 2.043     290.911     300.000       6.991    2 
-    680000      136000.00      36.506     -33.182       3.324   5.23 0.357 0.643 0.302 1.647     331.201     300.000       6.852    2 
-    690000      138000.00      25.669     -39.040     -13.372   6.09 0.143 0.867 0.448 1.156     232.878     300.000       7.072    2 
-    700000      140000.00      39.338     -43.173      -3.835   5.85 0.143 0.833 0.322 1.281     356.894     300.000       6.858    2 
-    710000      142000.00      42.785     -36.598       6.187   5.15 0.143 0.667 0.318 3.078     388.168     300.000       7.092    2 
-    720000      144000.00      36.058     -41.728      -5.670   5.65 0.214 0.769 0.339 1.166     327.135     300.000       6.787    2 
-    730000      146000.00      35.706     -49.915     -14.210   6.13 0.143 0.867 0.358 2.780     323.941     300.000       6.600    2 
-    740000      148000.00      37.448     -38.980      -1.532   5.64 0.286 0.500 0.205 1.702     339.749     300.000       7.874    2 
-    750000      150000.00      35.479     -42.174      -6.695   5.54 0.214 0.727 0.421 1.487     321.883     300.000       7.202    2 
-    760000      152000.00      33.803     -48.415     -14.613   5.70 0.143 0.818 0.318 1.527     306.676     300.000       6.957    2 
-    770000      154000.00      33.530     -47.977     -14.448   5.73 0.143 0.800 0.432 0.591     304.197     300.000       6.984    2 
-    780000      156000.00      34.992     -34.796       0.196   6.13 0.214 0.700 0.332 0.979     317.465     300.000       7.155    2 
-    790000      158000.00      32.795     -49.929     -17.134   5.87 0.286 0.692 0.290 0.902     297.534     300.000       6.652    2 
-    800000      160000.00      37.540     -42.901      -5.361   5.69 0.286 0.636 0.318 1.654     340.583     300.000       6.775    2 
-    810000      162000.00      38.347     -46.988      -8.641   5.20 0.286 0.667 0.201 1.666     347.902     300.000       7.076    2 
-    820000      164000.00      30.293     -38.007      -7.714   5.60 0.286 0.667 0.348 2.558     274.831     300.000       6.749    2 
-    830000      166000.00      37.515     -33.983       3.532   6.57 0.143 0.714 0.188 1.829     340.353     300.000       8.356    2 
-    840000      168000.00      26.571     -30.128      -3.557   4.30 0.143 0.778 0.384 1.177     241.062     300.000       6.589    2 
-    850000      170000.00      38.908     -43.427      -4.519   6.11 0.143 0.667 0.182 1.904     352.992     300.000       8.253    2 
-    860000      172000.00      33.525     -37.410      -3.885   5.09 0.286 0.750 0.310 1.058     304.158     300.000       6.578    2 
-    870000      174000.00      27.782     -34.054      -6.271   4.68 0.286 0.600 0.227 2.351     252.057     300.000       7.432    2 
-    880000      176000.00      24.247     -46.534     -22.288   2.65 0.286 0.600 0.268 1.361     219.978     300.000       6.939    2 
-    890000      178000.00      29.857     -33.931      -4.074   3.69 0.286 0.636 0.194 2.478     270.874     300.000       8.137    2 
-    900000      180000.00      39.513     -41.266      -1.753   3.07 0.214 0.769 0.220 2.185     358.481     300.000       6.929    2 
-    910000      182000.00      33.112     -38.318      -5.205   3.93 0.071 0.900 0.282 2.615     300.412     300.000       7.496    2 
-    920000      184000.00      40.507     -54.923     -14.416   3.96 0.286 0.750 0.284 2.226     367.501     300.000       6.488    2 
-    930000      186000.00      39.418     -26.220      13.198   4.24 0.143 0.778 0.217 0.737     357.625     300.000       8.457    2 
-    940000      188000.00      34.746     -43.650      -8.904   5.59 0.286 0.600 0.223 2.712     315.232     300.000       8.058    2 
-    950000      190000.00      32.029     -34.540      -2.510   6.66 0.286 0.667 0.216 4.547     290.585     300.000       7.119    2 
-    960000      192000.00      29.114     -47.105     -17.991   5.11 0.143 0.833 0.277 1.319     264.140     300.000       6.686    2 
-    970000      194000.00      34.167     -39.280      -5.113   4.65 0.357 0.643 0.286 3.848     309.980     300.000       6.745    2 
-    980000      196000.00      39.933     -40.676      -0.743   6.62 0.143 0.889 0.301 1.944     362.292     300.000       6.715    2 
-    990000      198000.00      30.627     -41.525     -10.897   4.46 0.143 0.800 0.232 1.486     277.865     300.000       6.720    2 
-   1000000      200000.00      34.843     -50.614     -15.770   5.18 0.286 0.600 0.332 1.326     316.118     300.000       6.577    2 
+         0           0.00      33.444      24.828      58.272  12.87 0.000   NaN   NaN 0.708     303.422     300.000      15.552    2 
+     10000        2000.00      34.359     -10.906      23.453  11.12 0.071 0.500 0.159 2.063     311.720     300.000      14.958    2 
+     20000        4000.00      38.264     -12.545      25.719  11.05 0.000   NaN   NaN 0.926     347.151     300.000      15.423    2 
+     30000        6000.00      30.089     -10.586      19.503  11.62 0.000   NaN   NaN 1.852     272.984     300.000      15.638    2 
+     40000        8000.00      33.254     -11.776      21.478  12.98 0.000   NaN   NaN 2.271     301.696     300.000      17.048    2 
+     50000       10000.00      29.080       1.623      30.703  11.96 0.000 1.000 0.136 2.447     263.827     300.000      16.090    2 
+     60000       12000.00      32.564      -4.332      28.231   9.14 0.000   NaN   NaN 1.719     295.434     300.000      14.126    2 
+     70000       14000.00      36.950     -19.098      17.852   7.86 0.000 1.000 0.239 2.067     335.234     300.000      10.699    2 
+     80000       16000.00      29.457     -18.550      10.908   4.60 0.071 0.800 0.245 1.644     267.252     300.000       8.305    2 
+     90000       18000.00      34.152     -23.350      10.803   5.34 0.143 0.714 0.331 0.754     309.848     300.000       7.603    2 
+    100000       20000.00      30.266     -34.640      -4.374   4.80 0.000 1.000 0.309 1.187     274.587     300.000       6.991    2 
+    110000       22000.00      34.030     -30.386       3.644   4.48 0.214 0.667 0.338 0.982     308.736     300.000       7.190    2 
+    120000       24000.00      29.493     -37.197      -7.704   3.09 0.143 0.833 0.420 1.789     267.574     300.000       6.899    2 
+    130000       26000.00      42.661     -41.883       0.779   3.00 0.214 0.727 0.372 0.888     387.045     300.000       6.842    2 
+    140000       28000.00      30.962     -32.298      -1.336   3.28 0.286 0.600 0.291 1.396     280.902     300.000       6.693    2 
+    150000       30000.00      29.664     -38.934      -9.271   3.17 0.214 0.727 0.380 1.485     269.126     300.000       6.721    2 
+    160000       32000.00      34.325     -31.681       2.644   4.61 0.071 0.929 0.386 1.456     311.414     300.000       6.508    2 
+    170000       34000.00      32.249     -32.631      -0.383   4.58 0.071 0.923 0.374 1.084     292.578     300.000       7.279    2 
+    180000       36000.00      30.281     -34.265      -3.984   4.91 0.214 0.750 0.375 2.776     274.725     300.000       6.725    2 
+    190000       38000.00      33.742     -35.980      -2.239   5.37 0.214 0.769 0.332 2.195     306.121     300.000       6.921    2 
+    200000       40000.00      37.031     -29.832       7.199   4.37 0.286 0.667 0.261 1.800     335.967     300.000       7.393    2 
+    210000       42000.00      31.964     -39.492      -7.528   4.09 0.143 0.778 0.348 1.268     289.991     300.000       7.385    2 
+    220000       44000.00      33.414     -23.473       9.942   3.78 0.286 0.636 0.479 3.636     303.150     300.000       7.919    2 
+    230000       46000.00      39.419     -29.232      10.187   4.73 0.429 0.571 0.357 1.332     357.632     300.000       7.206    2 
+    240000       48000.00      36.675     -37.994      -1.319   4.81 0.143 0.833 0.379 2.022     332.730     300.000       7.462    2 
+    250000       50000.00      29.636     -36.073      -6.437   4.96 0.143 0.600 0.245 1.778     268.874     300.000       7.447    2 
+    260000       52000.00      48.837     -35.203      13.635   5.47 0.286 0.636 0.240 1.374     443.078     300.000       6.959    2 
+    270000       54000.00      43.443     -26.801      16.642   4.53 0.286 0.600 0.295 1.543     394.137     300.000       7.234    2 
+    280000       56000.00      31.600     -22.776       8.824   4.95 0.214 0.625 0.244 2.191     286.694     300.000       7.124    2 
+    290000       58000.00      36.698     -36.591       0.107   4.46 0.214 0.500 0.205 2.010     332.942     300.000       7.883    2 
+    300000       60000.00      40.732     -25.607      15.125   3.39 0.357 0.545 0.186 0.192     369.540     300.000       7.376    2 
+    310000       62000.00      35.181     -36.288      -1.107   5.88 0.286 0.636 0.293 1.581     319.177     300.000       6.763    2 
+    320000       64000.00      38.752     -29.980       8.772   5.57 0.214 0.625 0.250 1.771     351.574     300.000       7.155    2 
+    330000       66000.00      36.883     -32.446       4.437   6.43 0.214 0.750 0.261 2.059     334.624     300.000       6.819    2 
+    340000       68000.00      31.573     -34.960      -3.386   5.95 0.214 0.727 0.322 0.896     286.447     300.000       6.887    2 
+    350000       70000.00      35.844     -35.095       0.750   5.39 0.357 0.545 0.260 1.130     325.198     300.000       7.059    2 
+    360000       72000.00      34.686     -32.014       2.672   5.59 0.357 0.545 0.248 1.605     314.691     300.000       7.106    2 
+    370000       74000.00      31.804     -32.427      -0.623   4.42 0.214 0.727 0.351 1.312     288.544     300.000       7.367    2 
+    380000       76000.00      43.348     -33.668       9.680   5.15 0.286 0.556 0.268 1.014     393.276     300.000       7.493    2 
+    390000       78000.00      32.586     -32.417       0.169   4.87 0.286 0.556 0.273 1.199     295.636     300.000       7.122    2 
+    400000       80000.00      34.883     -42.754      -7.871   5.41 0.286 0.714 0.318 2.246     316.478     300.000       6.447    2 
+    410000       82000.00      36.894     -36.086       0.807   5.94 0.286 0.556 0.263 1.668     334.717     300.000       6.945    2 
+    420000       84000.00      41.793     -28.296      13.497   5.20 0.214 0.727 0.393 1.194     379.164     300.000       6.957    2 
+    430000       86000.00      32.794     -45.317     -12.523   5.02 0.286 0.667 0.375 1.551     297.525     300.000       6.814    2 
+    440000       88000.00      41.603     -25.130      16.473   4.47 0.286 0.692 0.262 2.603     377.442     300.000       7.267    2 
+    450000       90000.00      39.049     -37.926       1.123   5.07 0.286 0.600 0.355 1.672     354.273     300.000       7.103    2 
+    460000       92000.00      38.883     -39.752      -0.869   5.35 0.286 0.500 0.307 1.011     352.765     300.000       7.173    2 
+    470000       94000.00      36.451     -32.006       4.445   5.52 0.214 0.700 0.295 2.294     330.701     300.000       6.913    2 
+    480000       96000.00      32.498     -42.393      -9.896   4.45 0.286 0.556 0.313 1.061     294.837     300.000       7.360    2 
+    490000       98000.00      28.776     -31.616      -2.840   4.04 0.357 0.615 0.266 1.370     261.067     300.000       7.090    2 
+    500000      100000.00      29.623     -27.876       1.748   4.41 0.357 0.444 0.263 1.493     268.759     300.000       7.450    2 
+    510000      102000.00      32.238     -47.874     -15.636   5.47 0.286 0.733 0.294 1.466     292.479     300.000       6.841    2 
+    520000      104000.00      30.335     -31.509      -1.174   4.80 0.429 0.647 0.283 2.972     275.213     300.000       6.942    2 
+    530000      106000.00      50.029     -35.901      14.127   4.82 0.286 0.636 0.252 2.002     453.885     300.000       7.110    2 
+    540000      108000.00      37.942     -42.443      -4.501   4.77 0.214 0.700 0.241 1.030     344.231     300.000       7.045    2 
+    550000      110000.00      43.234     -42.609       0.625   5.30 0.357 0.545 0.368 1.675     392.242     300.000       7.101    2 
+    560000      112000.00      33.987     -41.641      -7.654   5.40 0.286 0.750 0.312 2.005     308.346     300.000       6.717    2 
+    570000      114000.00      34.909     -31.682       3.227   5.11 0.143 0.778 0.303 1.233     316.715     300.000       6.988    2 
+    580000      116000.00      31.437     -29.377       2.061   5.06 0.357 0.500 0.241 1.967     285.216     300.000       7.133    2 
+    590000      118000.00      47.682     -34.703      12.979   4.36 0.357 0.500 0.300 1.479     432.596     300.000       7.250    2 
+    600000      120000.00      38.771     -29.944       8.828   4.58 0.143 0.750 0.290 1.584     351.753     300.000       6.930    2 
+    610000      122000.00      32.793     -32.880      -0.088   6.26 0.214 0.667 0.263 2.341     297.512     300.000       7.188    2 
+    620000      124000.00      33.051     -31.919       1.133   7.73 0.214 0.625 0.176 2.034     299.858     300.000       7.932    2 
+    630000      126000.00      30.961     -18.867      12.094   5.74 0.143 0.778 0.323 1.264     280.895     300.000       7.332    2 
+    640000      128000.00      24.508     -26.191      -1.683   5.93 0.143 0.800 0.214 1.098     222.349     300.000       8.368    2 
+    650000      130000.00      38.196     -27.204      10.992   3.36 0.286 0.556 0.192 3.114     346.534     300.000       7.815    2 
+    660000      132000.00      28.358     -25.768       2.590   5.22 0.357 0.444 0.177 1.853     257.278     300.000       9.026    2 
+    670000      134000.00      34.715     -50.277     -15.562   2.52 0.286 0.636 0.264 1.410     314.957     300.000       7.475    2 
+    680000      136000.00      32.156     -28.667       3.489   3.06 0.500 0.462 0.322 1.615     291.733     300.000       6.714    2 
+    690000      138000.00      40.452     -30.417      10.035   2.21 0.214 0.667 0.278 1.091     366.998     300.000       7.550    2 
+    700000      140000.00      40.672     -13.955      26.718   3.58 0.071 0.800 0.282 2.332     369.001     300.000       7.707    2 
+    710000      142000.00      25.036     -28.445      -3.409   3.60 0.214 0.700 0.364 1.461     227.142     300.000       7.962    2 
+    720000      144000.00      30.768     -44.575     -13.806   3.56 0.286 0.692 0.350 1.198     279.146     300.000       6.627    2 
+    730000      146000.00      34.236     -35.264      -1.027   3.19 0.500 0.632 0.409 1.479     310.610     300.000       6.684    2 
+    740000      148000.00      36.373     -41.350      -4.977   4.87 0.357 0.688 0.347 3.941     329.994     300.000       6.541    2 
+    750000      150000.00      38.481     -31.819       6.662   4.09 0.357 0.583 0.375 2.166     349.122     300.000       6.749    2 
+    760000      152000.00      35.090     -39.153      -4.064   4.16 0.143 0.818 0.368 1.188     318.352     300.000       6.903    2 
+    770000      154000.00      27.614     -33.319      -5.706   3.54 0.214 0.500 0.182 1.318     250.525     300.000       7.228    2 
+    780000      156000.00      36.072     -23.569      12.503   3.67 0.286 0.600 0.423 1.757     327.262     300.000       6.785    2 
+    790000      158000.00      38.621     -36.102       2.519   2.07 0.500 0.417 0.258 2.950     350.393     300.000       6.911    2 
+    800000      160000.00      35.144     -30.804       4.340   3.10 0.357 0.444 0.222 1.501     318.845     300.000       7.635    2 
+    810000      162000.00      40.534     -29.139      11.395   3.77 0.286 0.692 0.273 1.378     367.742     300.000       7.358    2 
+    820000      164000.00      34.043     -30.963       3.080   2.39 0.500 0.300 0.282 1.910     308.852     300.000       7.230    2 
+    830000      166000.00      34.722     -34.646       0.077   2.29 0.429 0.667 0.318 1.827     315.019     300.000       6.830    2 
+    840000      168000.00      35.537     -35.426       0.111   3.23 0.357 0.750 0.400 1.536     322.408     300.000       6.469    2 
+    850000      170000.00      45.267     -21.263      24.005   3.52 0.429 0.538 0.325 2.193     410.688     300.000       6.631    2 
+    860000      172000.00      42.774     -45.083      -2.309   3.08 0.500 0.417 0.250 0.855     388.071     300.000       7.008    2 
+    870000      174000.00      33.817     -23.606      10.211   4.56 0.286 0.667 0.360 2.210     306.809     300.000       6.878    2 
+    880000      176000.00      32.942     -37.874      -4.932   4.34 0.214 0.750 0.352 1.151     298.863     300.000       7.035    2 
+    890000      178000.00      37.944     -38.994      -1.051   3.74 0.214 0.786 0.403 2.355     344.244     300.000       6.779    2 
+    900000      180000.00      33.259     -33.194       0.064   2.96 0.571 0.467 0.218 1.947     301.740     300.000       7.138    2 
+    910000      182000.00      32.617     -29.685       2.933   3.67 0.286 0.556 0.384 1.793     295.921     300.000       7.586    2 
+    920000      184000.00      30.032     -22.824       7.208   4.37 0.214 0.700 0.291 2.451     272.464     300.000       8.202    2 
+    930000      186000.00      27.340     -25.177       2.162   4.51 0.357 0.583 0.254 1.111     248.040     300.000       7.361    2 
+    940000      188000.00      29.540     -31.970      -2.430   5.56 0.214 0.750 0.273 2.588     268.001     300.000       6.570    2 
+    950000      190000.00      42.136     -34.546       7.589   5.18 0.286 0.636 0.236 1.582     382.276     300.000       7.187    2 
+    960000      192000.00      29.966     -33.201      -3.235   5.63 0.214 0.667 0.354 1.679     271.871     300.000       7.102    2 
+    970000      194000.00      39.049     -19.073      19.976   5.21 0.286 0.500 0.182 1.514     354.271     300.000       7.512    2 
+    980000      196000.00      34.477     -34.293       0.184   5.66 0.214 0.571 0.188 1.776     312.790     300.000       7.801    2 
+    990000      198000.00      37.151     -19.535      17.616   7.40 0.214 0.571 0.169 3.021     337.050     300.000       8.055    2 
+   1000000      200000.00      37.712     -30.807       6.904   6.06 0.214 0.812 0.327 0.948     342.139     300.000       6.528    2 
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB003.stat b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB003.stat
index 6f46a0a..898c95a 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB003.stat
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB003.stat
@@ -1,101 +1,101 @@
-         0           0.00      31.821      21.213      53.034  12.87 0.000   NaN   NaN 0.935     288.700     300.000      15.552    3 
-     10000        2000.00      31.435      -4.960      26.476   9.49 0.000 1.000 0.182 1.904     285.195     300.000      13.617    3 
-     20000        4000.00      29.331     -15.929      13.402   6.53 0.071 0.875 0.318 2.223     266.103     300.000       9.082    3 
-     30000        6000.00      36.403     -38.319      -1.915   5.95 0.286 0.714 0.266 3.138     330.271     300.000       8.341    3 
-     40000        8000.00      41.762     -22.933      18.829   6.67 0.143 0.800 0.273 2.095     378.886     300.000       8.795    3 
-     50000       10000.00      28.815     -34.279      -5.464   6.31 0.143 0.714 0.299 3.278     261.421     300.000       8.504    3 
-     60000       12000.00      33.872     -15.441      18.432   7.45 0.143 0.750 0.273 2.870     307.308     300.000       9.330    3 
-     70000       14000.00      40.179     -35.023       5.156   7.78 0.143 0.800 0.277 1.415     364.522     300.000       8.795    3 
-     80000       16000.00      40.064     -36.979       3.085   7.04 0.143 0.818 0.281 1.832     363.482     300.000       9.139    3 
-     90000       18000.00      37.068     -33.019       4.049   5.04 0.286 0.636 0.236 1.028     336.302     300.000       7.737    3 
-    100000       20000.00      39.372     -44.810      -5.439   4.94 0.286 0.667 0.261 1.922     357.200     300.000       6.933    3 
-    110000       22000.00      30.452     -44.312     -13.860   4.91 0.286 0.556 0.263 1.870     276.273     300.000       6.990    3 
-    120000       24000.00      30.263     -42.208     -11.945   4.47 0.143 0.818 0.244 1.265     274.566     300.000       7.100    3 
-    130000       26000.00      36.446     -35.331       1.115   5.39 0.357 0.643 0.393 2.119     330.656     300.000       6.713    3 
-    140000       28000.00      36.728     -43.030      -6.302   5.46 0.143 0.833 0.330 1.209     333.217     300.000       6.967    3 
-    150000       30000.00      31.947     -46.351     -14.404   5.08 0.214 0.769 0.346 1.379     289.836     300.000       6.759    3 
-    160000       32000.00      31.441     -28.831       2.610   6.73 0.071 0.857 0.279 1.453     285.246     300.000       7.271    3 
-    170000       34000.00      35.368     -46.562     -11.194   5.71 0.357 0.688 0.341 2.165     320.875     300.000       6.816    3 
-    180000       36000.00      40.812     -47.012      -6.201   5.77 0.357 0.667 0.312 0.411     370.265     300.000       6.598    3 
-    190000       38000.00      35.782     -48.702     -12.919   5.66 0.357 0.583 0.284 1.426     324.637     300.000       6.946    3 
-    200000       40000.00      28.991     -41.674     -12.683   4.84 0.286 0.692 0.238 2.442     263.025     300.000       6.848    3 
-    210000       42000.00      30.178     -44.909     -14.731   4.65 0.286 0.667 0.258 1.447     273.795     300.000       6.949    3 
-    220000       44000.00      53.818     -39.561      14.257   5.14 0.143 0.750 0.358 1.538     488.261     300.000       7.241    3 
-    230000       46000.00      42.020     -42.525      -0.505   4.54 0.357 0.643 0.244 2.061     381.227     300.000       7.327    3 
-    240000       48000.00      29.277     -37.155      -7.878   5.02 0.214 0.667 0.318 1.761     265.619     300.000       7.096    3 
-    250000       50000.00      37.075     -41.621      -4.546   5.89 0.214 0.625 0.324 1.349     336.366     300.000       7.033    3 
-    260000       52000.00      35.384     -42.914      -7.529   5.76 0.357 0.615 0.357 1.453     321.026     300.000       7.015    3 
-    270000       54000.00      34.847     -39.347      -4.501   5.10 0.214 0.667 0.409 2.589     316.146     300.000       6.962    3 
-    280000       56000.00      29.459     -34.827      -5.368   6.71 0.214 0.750 0.299 1.397     267.266     300.000       6.677    3 
-    290000       58000.00      32.351     -47.975     -15.625   7.35 0.286 0.692 0.245 0.786     293.503     300.000       7.255    3 
-    300000       60000.00      32.437     -45.614     -13.177   6.67 0.071 0.923 0.343 1.881     294.286     300.000       6.632    3 
-    310000       62000.00      29.363     -28.187       1.176   5.83 0.357 0.500 0.264 1.591     266.399     300.000       7.248    3 
-    320000       64000.00      43.095     -39.287       3.808   5.74 0.286 0.733 0.276 3.420     390.977     300.000       6.896    3 
-    330000       66000.00      34.970     -45.301     -10.331   5.02 0.357 0.545 0.318 1.220     317.270     300.000       7.143    3 
-    340000       68000.00      32.815     -40.542      -7.727   5.13 0.286 0.667 0.269 1.024     297.713     300.000       6.804    3 
-    350000       70000.00      33.712     -40.184      -6.472   6.01 0.429 0.625 0.278 1.311     305.857     300.000       6.665    3 
-    360000       72000.00      40.251     -40.775      -0.524   5.71 0.214 0.750 0.277 1.703     365.173     300.000       6.744    3 
-    370000       74000.00      35.406     -44.658      -9.252   4.64 0.214 0.769 0.315 1.762     321.222     300.000       6.849    3 
-    380000       76000.00      29.911     -30.899      -0.988   5.32 0.143 0.667 0.174 3.254     271.365     300.000       7.468    3 
-    390000       78000.00      40.867     -51.321     -10.454   4.60 0.286 0.636 0.269 2.408     370.771     300.000       7.328    3 
-    400000       80000.00      34.174     -36.189      -2.015   4.51 0.357 0.643 0.451 1.379     310.044     300.000       7.399    3 
-    410000       82000.00      42.325     -48.270      -5.944   4.64 0.214 0.786 0.380 1.405     383.997     300.000       7.078    3 
-    420000       84000.00      42.186     -43.320      -1.134   4.95 0.071 0.900 0.341 0.902     382.730     300.000       7.005    3 
-    430000       86000.00      41.738     -43.795      -2.058   4.85 0.143 0.778 0.333 1.608     378.664     300.000       7.105    3 
-    440000       88000.00      42.122     -27.560      14.562   4.87 0.214 0.625 0.347 2.723     382.149     300.000       7.565    3 
-    450000       90000.00      30.710     -30.567       0.143   5.33 0.214 0.786 0.351 1.309     278.616     300.000       7.555    3 
-    460000       92000.00      38.817     -44.002      -5.185   4.76 0.214 0.800 0.424 1.007     352.167     300.000       6.943    3 
-    470000       94000.00      33.255     -38.979      -5.724   4.84 0.143 0.750 0.341 1.428     301.707     300.000       7.523    3 
-    480000       96000.00      36.952     -29.564       7.388   5.15 0.143 0.778 0.288 2.839     335.247     300.000       6.913    3 
-    490000       98000.00      29.619     -44.817     -15.199   4.45 0.214 0.769 0.364 1.429     268.716     300.000       7.162    3 
-    500000      100000.00      32.104     -41.233      -9.129   4.50 0.286 0.636 0.306 2.063     291.263     300.000       7.287    3 
-    510000      102000.00      26.964     -42.128     -15.164   4.92 0.286 0.667 0.318 2.873     244.634     300.000       7.141    3 
-    520000      104000.00      33.476     -36.261      -2.785   4.43 0.214 0.700 0.305 2.240     303.708     300.000       7.081    3 
-    530000      106000.00      38.185     -37.243       0.942   4.91 0.214 0.625 0.284 1.707     346.438     300.000       7.469    3 
-    540000      108000.00      31.615     -34.472      -2.858   4.97 0.143 0.833 0.371 1.408     286.826     300.000       7.319    3 
-    550000      110000.00      36.691     -38.010      -1.319   5.12 0.214 0.750 0.424 3.090     332.877     300.000       6.895    3 
-    560000      112000.00      32.806     -32.659       0.147   4.86 0.071 0.889 0.419 2.663     297.636     300.000       7.356    3 
-    570000      114000.00      34.654     -44.486      -9.832   4.58 0.286 0.692 0.364 2.766     314.400     300.000       7.078    3 
-    580000      116000.00      25.926     -43.325     -17.399   4.72 0.286 0.667 0.360 1.919     235.211     300.000       7.533    3 
-    590000      118000.00      50.007     -46.897       3.109   4.91 0.357 0.545 0.273 3.252     453.686     300.000       6.893    3 
-    600000      120000.00      30.049     -43.308     -13.260   4.62 0.143 0.800 0.309 1.495     272.617     300.000       6.921    3 
-    610000      122000.00      38.933     -38.185       0.749   4.73 0.214 0.625 0.210 1.503     353.224     300.000       7.608    3 
-    620000      124000.00      34.258     -33.783       0.475   4.74 0.286 0.600 0.195 1.978     310.810     300.000       7.305    3 
-    630000      126000.00      37.953     -44.588      -6.635   5.80 0.143 0.818 0.343 1.300     344.332     300.000       6.884    3 
-    640000      128000.00      30.342     -35.516      -5.174   6.04 0.286 0.667 0.409 1.890     275.277     300.000       6.638    3 
-    650000      130000.00      37.271     -42.462      -5.191   6.22 0.214 0.800 0.388 2.800     338.144     300.000       6.806    3 
-    660000      132000.00      30.831     -43.578     -12.748   5.33 0.357 0.583 0.424 0.663     279.710     300.000       7.150    3 
-    670000      134000.00      31.226     -39.818      -8.593   5.61 0.429 0.625 0.361 1.510     283.297     300.000       6.868    3 
-    680000      136000.00      37.092     -35.999       1.093   5.77 0.143 0.750 0.472 1.505     336.518     300.000       6.973    3 
-    690000      138000.00      31.739     -28.192       3.548   5.73 0.214 0.667 0.384 2.419     287.956     300.000       7.064    3 
-    700000      140000.00      30.464     -45.762     -15.298   5.04 0.286 0.636 0.442 1.965     276.384     300.000       6.787    3 
-    710000      142000.00      38.158     -40.395      -2.237   5.44 0.286 0.714 0.360 2.428     346.189     300.000       6.720    3 
-    720000      144000.00      36.384     -37.944      -1.561   6.07 0.214 0.750 0.364 1.392     330.090     300.000       7.134    3 
-    730000      146000.00      35.026     -32.739       2.287   6.47 0.214 0.727 0.322 2.008     317.775     300.000       7.171    3 
-    740000      148000.00      37.001     -33.843       3.158   5.15 0.357 0.583 0.398 2.083     335.693     300.000       6.972    3 
-    750000      150000.00      32.256     -45.391     -13.135   5.84 0.357 0.583 0.360 1.609     292.645     300.000       6.681    3 
-    760000      152000.00      36.360     -31.089       5.271   5.90 0.143 0.833 0.371 1.608     329.876     300.000       6.719    3 
-    770000      154000.00      27.173     -27.261      -0.088   6.01 0.071 0.917 0.360 1.050     246.529     300.000       6.864    3 
-    780000      156000.00      33.551     -31.590       1.961   6.09 0.143 0.818 0.376 1.324     304.389     300.000       7.024    3 
-    790000      158000.00      31.404     -32.438      -1.034   6.28 0.214 0.769 0.385 1.498     284.914     300.000       6.858    3 
-    800000      160000.00      37.028     -50.288     -13.260   5.66 0.071 0.917 0.390 1.535     335.935     300.000       7.043    3 
-    810000      162000.00      31.776     -43.556     -11.780   5.46 0.214 0.700 0.500 1.349     288.285     300.000       7.236    3 
-    820000      164000.00      35.055     -33.026       2.029   6.08 0.214 0.571 0.266 1.448     318.036     300.000       7.477    3 
-    830000      166000.00      37.088     -36.917       0.171   5.06 0.214 0.667 0.263 2.585     336.479     300.000       7.312    3 
-    840000      168000.00      28.326     -42.607     -14.281   5.49 0.214 0.750 0.284 1.352     256.986     300.000       7.093    3 
-    850000      170000.00      42.553     -46.733      -4.180   5.68 0.214 0.750 0.318 3.199     386.061     300.000       6.988    3 
-    860000      172000.00      42.282     -42.193       0.089   5.89 0.143 0.833 0.394 1.902     383.608     300.000       6.875    3 
-    870000      174000.00      27.687     -34.903      -7.216   5.54 0.143 0.778 0.343 1.824     251.189     300.000       7.072    3 
-    880000      176000.00      39.972     -28.395      11.577   5.64 0.214 0.786 0.338 2.132     362.646     300.000       6.598    3 
-    890000      178000.00      33.578     -28.992       4.586   4.59 0.214 0.571 0.305 2.496     304.639     300.000       6.822    3 
-    900000      180000.00      41.327     -40.536       0.791   4.90 0.286 0.667 0.299 1.601     374.944     300.000       7.014    3 
-    910000      182000.00      45.221     -48.810      -3.589   6.85 0.286 0.714 0.227 1.741     410.272     300.000       7.164    3 
-    920000      184000.00      44.026     -43.604       0.422   5.62 0.214 0.727 0.388 1.962     399.424     300.000       6.913    3 
-    930000      186000.00      34.540     -56.953     -22.413   6.16 0.143 0.857 0.341 1.087     313.369     300.000       6.827    3 
-    940000      188000.00      36.888     -42.135      -5.247   4.89 0.286 0.733 0.358 2.312     334.667     300.000       7.066    3 
-    950000      190000.00      32.500     -34.755      -2.255   5.67 0.214 0.727 0.248 2.775     294.854     300.000       7.167    3 
-    960000      192000.00      29.674     -31.158      -1.484   5.11 0.286 0.667 0.273 1.225     269.217     300.000       6.937    3 
-    970000      194000.00      36.340     -44.783      -8.443   5.32 0.500 0.533 0.261 3.204     329.693     300.000       6.951    3 
-    980000      196000.00      40.789     -46.067      -5.278   5.37 0.214 0.727 0.285 1.343     370.061     300.000       6.852    3 
-    990000      198000.00      26.636     -36.190      -9.554   4.02 0.286 0.692 0.294 1.025     241.653     300.000       6.922    3 
-   1000000      200000.00      35.142     -52.420     -17.278   2.18 0.500 0.533 0.291 2.409     318.826     300.000       6.805    3 
+         0           0.00      28.343      24.828      53.171  12.87 0.000   NaN   NaN 0.708     257.144     300.000      15.552    3 
+     10000        2000.00      29.138       0.618      29.756  12.17 0.071 0.000 0.136 2.334     264.352     300.000      16.218    3 
+     20000        4000.00      36.848     -16.787      20.062   8.41 0.214 0.400 0.155 1.861     334.307     300.000      12.200    3 
+     30000        6000.00      35.123     -28.708       6.415   9.22 0.286 0.500 0.165 4.411     318.656     300.000      11.973    3 
+     40000        8000.00      29.933     -34.244      -4.311   5.29 0.214 0.700 0.218 1.714     271.570     300.000       7.915    3 
+     50000       10000.00      32.693     -28.252       4.441   6.14 0.286 0.667 0.223 2.770     296.608     300.000       7.466    3 
+     60000       12000.00      33.042     -27.374       5.668   6.61 0.214 0.667 0.242 2.069     299.771     300.000       8.055    3 
+     70000       14000.00      34.928     -30.350       4.578   5.92 0.143 0.714 0.188 1.752     316.881     300.000       7.958    3 
+     80000       16000.00      31.934     -39.057      -7.123   6.44 0.143 0.778 0.253 1.959     289.724     300.000       8.165    3 
+     90000       18000.00      40.115     -36.445       3.670   3.59 0.143 0.778 0.419 2.953     363.948     300.000       6.907    3 
+    100000       20000.00      32.058     -44.342     -12.284   4.59 0.357 0.667 0.391 1.269     290.848     300.000       6.518    3 
+    110000       22000.00      35.022     -33.687       1.335   3.31 0.357 0.444 0.384 2.083     317.735     300.000       7.060    3 
+    120000       24000.00      45.252     -36.062       9.190   3.14 0.286 0.600 0.305 1.042     410.554     300.000       6.811    3 
+    130000       26000.00      42.482     -41.805       0.677   4.32 0.357 0.667 0.406 1.129     385.420     300.000       6.601    3 
+    140000       28000.00      31.098     -33.763      -2.664   3.87 0.286 0.765 0.452 1.992     282.138     300.000       6.518    3 
+    150000       30000.00      35.154     -39.224      -4.069   3.42 0.286 0.733 0.355 2.457     318.938     300.000       6.390    3 
+    160000       32000.00      30.769     -34.465      -3.696   3.95 0.357 0.583 0.375 1.630     279.154     300.000       6.810    3 
+    170000       34000.00      31.773     -38.561      -6.788   3.47 0.214 0.750 0.394 2.011     288.263     300.000       6.777    3 
+    180000       36000.00      34.656     -31.078       3.578   3.53 0.286 0.714 0.396 2.165     314.420     300.000       6.591    3 
+    190000       38000.00      38.816     -29.449       9.367   3.97 0.143 0.750 0.312 1.475     352.160     300.000       7.416    3 
+    200000       40000.00      37.275     -24.785      12.489   3.45 0.357 0.583 0.258 1.327     338.175     300.000       6.631    3 
+    210000       42000.00      32.273     -33.868      -1.595   3.51 0.286 0.600 0.277 1.133     292.799     300.000       7.031    3 
+    220000       44000.00      35.767     -34.981       0.786   4.28 0.214 0.786 0.282 2.074     324.497     300.000       6.971    3 
+    230000       46000.00      29.450     -31.727      -2.277   4.47 0.286 0.692 0.280 2.137     267.188     300.000       6.630    3 
+    240000       48000.00      32.974     -27.915       5.060   3.32 0.357 0.500 0.245 1.726     299.160     300.000       7.517    3 
+    250000       50000.00      32.959     -25.872       7.086   3.74 0.214 0.571 0.188 1.163     299.019     300.000       8.666    3 
+    260000       52000.00      35.189     -22.077      13.112   5.08 0.071 0.800 0.200 1.822     319.251     300.000       8.141    3 
+    270000       54000.00      41.861     -34.644       7.217   6.31 0.357 0.583 0.220 1.301     379.783     300.000       7.823    3 
+    280000       56000.00      37.921     -34.057       3.864   4.94 0.214 0.727 0.248 1.669     344.039     300.000       9.008    3 
+    290000       58000.00      31.275     -31.762      -0.487   4.38 0.429 0.647 0.447 1.574     283.743     300.000       6.245    3 
+    300000       60000.00      32.911     -34.944      -2.033   3.95 0.500 0.611 0.381 2.254     298.586     300.000       6.395    3 
+    310000       62000.00      40.145     -50.033      -9.888   3.65 0.286 0.714 0.419 1.327     364.220     300.000       6.714    3 
+    320000       64000.00      36.781     -25.681      11.100   3.72 0.143 0.800 0.491 1.095     333.694     300.000       7.324    3 
+    330000       66000.00      38.466     -37.256       1.210   3.01 0.357 0.667 0.306 1.529     348.981     300.000       6.421    3 
+    340000       68000.00      33.833     -41.751      -7.918   3.89 0.500 0.417 0.398 1.039     306.951     300.000       6.721    3 
+    350000       70000.00      29.065     -46.014     -16.949   3.37 0.429 0.684 0.349 1.273     263.695     300.000       6.372    3 
+    360000       72000.00      31.194     -29.130       2.064   2.45 0.214 0.571 0.260 1.731     283.004     300.000       7.041    3 
+    370000       74000.00      45.438     -26.039      19.399   3.11 0.286 0.556 0.364 2.856     412.235     300.000       6.721    3 
+    380000       76000.00      27.676     -41.622     -13.947   3.73 0.429 0.600 0.270 1.387     251.089     300.000       6.857    3 
+    390000       78000.00      37.434     -37.745      -0.311   3.98 0.429 0.538 0.409 1.451     339.624     300.000       6.714    3 
+    400000       80000.00      44.158     -39.842       4.316   3.91 0.357 0.750 0.425 2.279     400.623     300.000       6.526    3 
+    410000       82000.00      33.450     -36.286      -2.837   3.60 0.357 0.667 0.436 3.081     303.474     300.000       6.542    3 
+    420000       84000.00      34.203     -30.601       3.603   3.70 0.357 0.667 0.409 2.098     310.309     300.000       6.439    3 
+    430000       86000.00      34.537     -26.398       8.139   3.44 0.214 0.700 0.377 2.609     313.341     300.000       7.557    3 
+    440000       88000.00      34.505     -41.888      -7.383   3.11 0.286 0.714 0.386 2.222     313.050     300.000       7.067    3 
+    450000       90000.00      33.492     -41.007      -7.515   3.63 0.214 0.800 0.382 1.480     303.859     300.000       6.930    3 
+    460000       92000.00      41.220     -38.895       2.324   2.98 0.429 0.647 0.380 1.627     373.965     300.000       6.719    3 
+    470000       94000.00      34.986     -38.608      -3.622   3.46 0.357 0.583 0.348 1.143     317.411     300.000       6.983    3 
+    480000       96000.00      34.581     -33.111       1.469   3.63 0.286 0.500 0.426 1.709     313.735     300.000       7.124    3 
+    490000       98000.00      34.587     -37.430      -2.842   3.62 0.357 0.615 0.416 2.062     313.793     300.000       6.950    3 
+    500000      100000.00      31.978     -39.734      -7.756   3.71 0.429 0.667 0.417 4.019     290.119     300.000       6.590    3 
+    510000      102000.00      29.763     -30.016      -0.253   3.55 0.357 0.583 0.409 2.613     270.023     300.000       6.679    3 
+    520000      104000.00      32.941     -35.984      -3.043   3.56 0.214 0.769 0.283 1.382     298.858     300.000       7.000    3 
+    530000      106000.00      34.285     -34.318      -0.033   2.48 0.357 0.583 0.295 2.005     311.051     300.000       7.078    3 
+    540000      108000.00      26.893     -28.122      -1.228   2.98 0.500 0.562 0.233 1.509     243.990     300.000       6.704    3 
+    550000      110000.00      29.889     -23.075       6.814   2.58 0.286 0.333 0.280 2.139     271.172     300.000       7.818    3 
+    560000      112000.00      40.160     -31.567       8.592   1.98 0.429 0.625 0.344 2.059     364.352     300.000       6.491    3 
+    570000      114000.00      37.584     -31.619       5.965   3.01 0.429 0.600 0.224 1.133     340.978     300.000       6.968    3 
+    580000      116000.00      25.941     -35.502      -9.561   2.63 0.286 0.733 0.276 1.906     235.349     300.000       6.724    3 
+    590000      118000.00      38.219     -33.111       5.108   2.28 0.500 0.300 0.200 2.507     346.745     300.000       7.392    3 
+    600000      120000.00      31.686     -32.855      -1.169   3.88 0.286 0.667 0.311 1.763     287.475     300.000       6.848    3 
+    610000      122000.00      32.793     -31.480       1.313   4.23 0.071 0.875 0.222 1.634     297.514     300.000       7.212    3 
+    620000      124000.00      34.023     -30.671       3.352   3.42 0.286 0.750 0.315 2.415     308.673     300.000       6.807    3 
+    630000      126000.00      33.237     -26.513       6.724   3.37 0.214 0.700 0.341 1.533     301.542     300.000       7.094    3 
+    640000      128000.00      23.033     -19.373       3.660   3.56 0.214 0.625 0.483 1.044     208.969     300.000       7.124    3 
+    650000      130000.00      33.183     -38.997      -5.814   6.74 0.286 0.692 0.259 1.490     301.057     300.000       7.395    3 
+    660000      132000.00      44.060     -15.989      28.071   6.50 0.286 0.333 0.174 1.632     399.736     300.000       9.005    3 
+    670000      134000.00      28.874     -29.364      -0.490   4.51 0.286 0.600 0.218 2.663     261.961     300.000       7.171    3 
+    680000      136000.00      24.957     -26.022      -1.065   4.36 0.214 0.625 0.426 0.999     226.422     300.000       7.935    3 
+    690000      138000.00      41.460     -32.919       8.541   5.13 0.357 0.583 0.364 2.449     376.143     300.000       6.969    3 
+    700000      140000.00      45.147     -38.033       7.114   3.82 0.143 0.833 0.277 1.938     409.596     300.000       7.703    3 
+    710000      142000.00      36.399     -33.347       3.053   4.41 0.214 0.727 0.343 1.716     330.233     300.000       7.091    3 
+    720000      144000.00      33.942     -22.382      11.560   3.79 0.214 0.571 0.338 2.324     307.944     300.000       7.216    3 
+    730000      146000.00      32.777     -33.052      -0.275   4.57 0.357 0.667 0.412 2.211     297.372     300.000       7.168    3 
+    740000      148000.00      33.832     -24.208       9.624   4.93 0.214 0.700 0.318 1.169     306.943     300.000       6.740    3 
+    750000      150000.00      33.745     -29.553       4.192   5.04 0.286 0.714 0.305 2.761     306.149     300.000       7.353    3 
+    760000      152000.00      34.190     -37.780      -3.590   4.20 0.286 0.667 0.367 1.955     310.186     300.000       7.191    3 
+    770000      154000.00      31.338     -35.332      -3.994   4.91 0.214 0.769 0.353 2.447     284.312     300.000       7.249    3 
+    780000      156000.00      38.066     -25.080      12.987   4.83 0.214 0.727 0.314 2.593     345.355     300.000       7.674    3 
+    790000      158000.00      37.185     -37.957      -0.771   4.38 0.286 0.636 0.302 1.619     337.363     300.000       7.206    3 
+    800000      160000.00      30.791     -30.531       0.260   4.88 0.214 0.769 0.276 1.299     279.356     300.000       7.087    3 
+    810000      162000.00      35.632     -37.888      -2.256   4.75 0.286 0.765 0.401 0.889     323.271     300.000       6.761    3 
+    820000      164000.00      35.113     -17.217      17.896   4.36 0.071 0.833 0.326 3.489     318.565     300.000       8.133    3 
+    830000      166000.00      27.011     -30.726      -3.716   4.24 0.143 0.714 0.318 1.462     245.054     300.000       7.423    3 
+    840000      168000.00      30.810     -32.217      -1.407   3.95 0.357 0.500 0.259 1.830     279.527     300.000       7.191    3 
+    850000      170000.00      32.706     -36.237      -3.531   4.79 0.357 0.643 0.377 1.204     296.727     300.000       7.018    3 
+    860000      172000.00      41.979     -29.929      12.050   6.23 0.214 0.667 0.202 1.860     380.858     300.000       7.265    3 
+    870000      174000.00      40.128     -25.097      15.031   5.73 0.071 0.889 0.303 0.860     364.066     300.000       6.798    3 
+    880000      176000.00      43.113     -27.796      15.316   5.76 0.286 0.600 0.200 2.766     391.140     300.000       7.321    3 
+    890000      178000.00      36.063     -37.288      -1.226   5.59 0.357 0.643 0.331 1.809     327.178     300.000       6.944    3 
+    900000      180000.00      30.628     -46.859     -16.231   5.55 0.357 0.583 0.303 2.313     277.876     300.000       6.765    3 
+    910000      182000.00      35.194     -28.671       6.523   5.21 0.071 0.750 0.273 1.553     319.300     300.000       7.612    3 
+    920000      184000.00      37.804     -15.281      22.523   5.00 0.286 0.556 0.247 1.673     342.980     300.000       7.310    3 
+    930000      186000.00      35.678     -36.312      -0.634   4.98 0.143 0.833 0.326 1.603     323.693     300.000       6.986    3 
+    940000      188000.00      36.597     -30.032       6.565   6.22 0.286 0.556 0.288 1.425     332.025     300.000       7.189    3 
+    950000      190000.00      22.365     -30.520      -8.155   6.27 0.286 0.600 0.286 1.752     202.910     300.000       6.972    3 
+    960000      192000.00      33.562     -19.334      14.228   6.99 0.071 0.800 0.164 1.086     304.492     300.000       7.940    3 
+    970000      194000.00      42.174     -42.196      -0.022   4.73 0.286 0.692 0.322 2.295     382.621     300.000       6.978    3 
+    980000      196000.00      43.114     -31.505      11.609   4.68 0.071 0.889 0.242 1.240     391.153     300.000       7.357    3 
+    990000      198000.00      30.216     -38.508      -8.293   5.34 0.000 1.000 0.318 0.593     274.131     300.000       7.209    3 
+   1000000      200000.00      37.637     -30.645       6.992   3.81 0.286 0.556 0.253 1.043     341.458     300.000       7.742    3 
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB004.stat b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB004.stat
index 9647c1d..4867029 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB004.stat
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB004.stat
@@ -1,101 +1,101 @@
-         0           0.00      32.201      21.213      53.414  12.87 0.000   NaN   NaN 0.935     292.146     300.000      15.552    4 
-     10000        2000.00      29.782     -16.839      12.943   8.15 0.000   NaN   NaN 1.850     270.194     300.000      11.999    4 
-     20000        4000.00      26.258      -4.368      21.890   6.24 0.000 1.000 0.205 2.203     238.228     300.000       9.494    4 
-     30000        6000.00      41.889     -12.330      29.559   6.02 0.000 1.000 0.420 1.967     380.036     300.000       9.704    4 
-     40000        8000.00      38.070     -15.350      22.720   6.27 0.071 0.889 0.480 2.375     345.393     300.000       8.801    4 
-     50000       10000.00      32.850     -31.627       1.223   5.56 0.071 0.889 0.439 1.772     298.035     300.000       8.003    4 
-     60000       12000.00      26.969     -42.015     -15.047   5.49 0.071 0.900 0.418 1.801     244.673     300.000       7.943    4 
-     70000       14000.00      28.490     -19.915       8.575   6.16 0.071 0.875 0.420 2.012     258.477     300.000       8.782    4 
-     80000       16000.00      37.889     -29.101       8.788   5.87 0.071 0.900 0.391 1.308     343.749     300.000       8.968    4 
-     90000       18000.00      30.253     -22.858       7.396   6.03 0.000 1.000 0.492 2.643     274.474     300.000       8.766    4 
-    100000       20000.00      45.184     -36.375       8.810   5.00 0.143 0.833 0.379 1.066     409.936     300.000       7.160    4 
-    110000       22000.00      32.606     -31.017       1.590   5.23 0.214 0.750 0.284 1.679     295.821     300.000       8.323    4 
-    120000       24000.00      36.810     -29.576       7.234   4.48 0.286 0.556 0.354 1.248     333.957     300.000       6.837    4 
-    130000       26000.00      34.792     -30.458       4.334   4.58 0.286 0.556 0.278 1.580     315.655     300.000       7.106    4 
-    140000       28000.00      36.682     -40.144      -3.461   4.30 0.214 0.625 0.239 1.417     332.800     300.000       7.481    4 
-    150000       30000.00      33.460     -33.189       0.271   4.37 0.286 0.667 0.299 2.360     303.562     300.000       7.200    4 
-    160000       32000.00      28.171     -36.536      -8.365   4.44 0.357 0.643 0.383 1.976     255.582     300.000       6.915    4 
-    170000       34000.00      34.414     -40.940      -6.526   5.27 0.214 0.786 0.373 2.288     312.226     300.000       6.397    4 
-    180000       36000.00      33.323     -36.235      -2.912   4.54 0.214 0.727 0.442 2.203     302.321     300.000       7.451    4 
-    190000       38000.00      33.584     -35.008      -1.423   6.04 0.143 0.800 0.191 1.370     304.695     300.000       7.700    4 
-    200000       40000.00      25.234     -48.791     -23.557   5.64 0.071 0.900 0.295 2.148     228.940     300.000       6.847    4 
-    210000       42000.00      36.102     -45.956      -9.853   6.69 0.214 0.812 0.298 1.139     327.538     300.000       6.960    4 
-    220000       44000.00      31.252     -34.121      -2.869   5.21 0.071 0.917 0.258 1.386     283.535     300.000       7.088    4 
-    230000       46000.00      40.127     -43.124      -2.997   4.13 0.143 0.714 0.156 2.247     364.050     300.000       7.216    4 
-    240000       48000.00      34.233     -44.149      -9.916   2.72 0.214 0.700 0.314 1.048     310.584     300.000       7.031    4 
-    250000       50000.00      37.842     -43.494      -5.652   3.80 0.286 0.765 0.377 2.829     343.325     300.000       6.429    4 
-    260000       52000.00      34.320     -35.755      -1.435   3.69 0.143 0.750 0.239 1.178     311.370     300.000       7.310    4 
-    270000       54000.00      32.813     -37.787      -4.974   4.70 0.214 0.800 0.315 2.051     297.699     300.000       6.782    4 
-    280000       56000.00      30.446     -27.036       3.410   3.57 0.286 0.692 0.329 2.809     276.220     300.000       7.238    4 
-    290000       58000.00      33.214     -43.676     -10.462   4.62 0.357 0.643 0.295 2.778     301.338     300.000       6.877    4 
-    300000       60000.00      38.838     -46.931      -8.093   4.15 0.286 0.692 0.266 1.315     352.358     300.000       7.125    4 
-    310000       62000.00      49.430     -31.155      18.276   3.39 0.214 0.727 0.240 2.262     448.459     300.000       7.213    4 
-    320000       64000.00      28.179     -50.012     -21.833   4.05 0.214 0.727 0.244 1.411     255.658     300.000       6.651    4 
-    330000       66000.00      34.425     -36.983      -2.558   3.92 0.143 0.750 0.318 1.355     312.323     300.000       6.917    4 
-    340000       68000.00      42.577     -38.077       4.500   4.47 0.143 0.857 0.308 1.272     386.280     300.000       6.687    4 
-    350000       70000.00      29.051     -42.798     -13.747   4.59 0.143 0.857 0.305 2.661     263.561     300.000       7.075    4 
-    360000       72000.00      32.344     -47.548     -15.204   4.68 0.071 0.933 0.348 1.052     293.440     300.000       6.618    4 
-    370000       74000.00      37.329     -35.039       2.290   3.44 0.143 0.750 0.358 2.013     338.667     300.000       7.163    4 
-    380000       76000.00      34.112     -41.967      -7.854   3.90 0.286 0.714 0.276 1.874     309.485     300.000       6.906    4 
-    390000       78000.00      29.717     -47.024     -17.307   4.24 0.286 0.714 0.286 1.563     269.604     300.000       6.697    4 
-    400000       80000.00      38.652     -46.921      -8.270   4.47 0.429 0.700 0.327 2.170     350.667     300.000       6.602    4 
-    410000       82000.00      37.304     -47.472     -10.169   4.02 0.286 0.667 0.318 1.417     338.437     300.000       7.097    4 
-    420000       84000.00      29.274     -37.709      -8.436   4.63 0.357 0.688 0.355 1.648     265.585     300.000       6.885    4 
-    430000       86000.00      33.287     -35.984      -2.696   5.38 0.214 0.786 0.386 1.541     301.999     300.000       6.662    4 
-    440000       88000.00      33.030     -46.402     -13.373   5.06 0.214 0.769 0.367 0.828     299.661     300.000       7.064    4 
-    450000       90000.00      39.719     -43.080      -3.361   5.34 0.286 0.500 0.375 2.001     360.353     300.000       7.501    4 
-    460000       92000.00      33.833     -25.677       8.156   5.49 0.214 0.750 0.379 2.322     306.946     300.000       6.880    4 
-    470000       94000.00      37.642     -33.314       4.328   5.42 0.071 0.917 0.348 2.372     341.507     300.000       6.558    4 
-    480000       96000.00      28.732     -34.771      -6.038   6.34 0.286 0.778 0.323 1.430     260.676     300.000       6.882    4 
-    490000       98000.00      28.413     -44.547     -16.134   5.13 0.143 0.857 0.253 2.356     257.782     300.000       7.293    4 
-    500000      100000.00      31.493     -39.332      -7.840   4.91 0.143 0.882 0.353 1.581     285.719     300.000       6.560    4 
-    510000      102000.00      35.171     -38.781      -3.610   4.64 0.286 0.667 0.409 1.501     319.092     300.000       7.342    4 
-    520000      104000.00      39.668     -37.272       2.397   4.19 0.286 0.714 0.302 2.827     359.892     300.000       7.362    4 
-    530000      106000.00      31.894     -40.832      -8.939   5.20 0.357 0.688 0.443 2.230     289.356     300.000       6.896    4 
-    540000      108000.00      34.579     -46.266     -11.687   4.52 0.429 0.625 0.366 2.418     313.719     300.000       6.547    4 
-    550000      110000.00      34.359     -38.326      -3.967   4.55 0.286 0.692 0.402 1.632     311.720     300.000       6.798    4 
-    560000      112000.00      40.723     -44.458      -3.736   4.30 0.357 0.750 0.325 1.623     369.457     300.000       6.445    4 
-    570000      114000.00      35.532     -36.468      -0.935   3.49 0.214 0.833 0.389 2.571     322.367     300.000       6.474    4 
-    580000      116000.00      30.322     -40.553     -10.230   3.76 0.214 0.727 0.285 1.447     275.101     300.000       6.756    4 
-    590000      118000.00      36.936     -45.291      -8.355   3.95 0.286 0.692 0.448 1.904     335.104     300.000       6.250    4 
-    600000      120000.00      30.915     -47.799     -16.883   3.28 0.357 0.688 0.349 1.832     280.480     300.000       6.246    4 
-    610000      122000.00      38.240     -50.641     -12.401   4.60 0.286 0.778 0.455 2.374     346.931     300.000       6.681    4 
-    620000      124000.00      33.465     -46.693     -13.228   3.57 0.429 0.714 0.323 1.366     303.613     300.000       6.062    4 
-    630000      126000.00      32.003     -36.015      -4.012   3.93 0.286 0.692 0.402 2.291     290.345     300.000       6.762    4 
-    640000      128000.00      35.050     -56.425     -21.375   3.73 0.286 0.733 0.406 1.891     317.990     300.000       6.323    4 
-    650000      130000.00      29.510     -49.139     -19.629   3.64 0.357 0.706 0.342 1.349     267.731     300.000       6.545    4 
-    660000      132000.00      41.214     -45.567      -4.353   3.55 0.429 0.625 0.372 3.259     373.918     300.000       6.360    4 
-    670000      134000.00      37.512     -51.909     -14.397   3.67 0.286 0.750 0.389 0.561     340.330     300.000       6.362    4 
-    680000      136000.00      29.961     -40.726     -10.766   3.22 0.286 0.692 0.381 1.473     271.818     300.000       6.661    4 
-    690000      138000.00      36.847     -46.957     -10.110   4.37 0.286 0.765 0.372 1.206     334.295     300.000       6.589    4 
-    700000      140000.00      35.410     -40.933      -5.523   4.47 0.214 0.824 0.439 0.910     321.261     300.000       6.579    4 
-    710000      142000.00      34.862     -32.832       2.030   4.32 0.286 0.733 0.358 2.917     316.282     300.000       6.520    4 
-    720000      144000.00      32.928     -47.756     -14.828   3.82 0.286 0.778 0.366 4.086     298.739     300.000       6.318    4 
-    730000      146000.00      37.162     -44.861      -7.699   4.23 0.214 0.842 0.395 2.235     337.154     300.000       6.520    4 
-    740000      148000.00      29.692     -44.512     -14.820   3.69 0.214 0.769 0.367 1.963     269.379     300.000       6.528    4 
-    750000      150000.00      29.622     -55.288     -25.665   2.24 0.643 0.526 0.311 1.576     268.749     300.000       6.622    4 
-    760000      152000.00      31.191     -42.459     -11.268   2.24 0.286 0.600 0.286 1.019     282.979     300.000       6.837    4 
-    770000      154000.00      33.568     -37.244      -3.676   3.33 0.286 0.636 0.178 2.428     304.543     300.000       7.414    4 
-    780000      156000.00      41.399     -36.428       4.971   5.80 0.143 0.600 0.164 0.978     375.591     300.000      10.097    4 
-    790000      158000.00      34.845     -36.980      -2.135   4.61 0.143 0.800 0.182 1.616     316.131     300.000       7.736    4 
-    800000      160000.00      34.281     -46.006     -11.725   6.85 0.214 0.750 0.254 1.490     311.014     300.000       7.144    4 
-    810000      162000.00      32.226     -37.254      -5.028   7.13 0.143 0.667 0.220 1.129     292.371     300.000       7.812    4 
-    820000      164000.00      41.724     -37.915       3.809   6.46 0.071 0.875 0.227 2.396     378.537     300.000       7.646    4 
-    830000      166000.00      30.732     -32.380      -1.648   5.78 0.071 0.833 0.212 1.348     278.816     300.000       7.910    4 
-    840000      168000.00      35.742     -48.895     -13.152   6.88 0.286 0.636 0.194 1.275     324.274     300.000       7.723    4 
-    850000      170000.00      33.992     -41.701      -7.709   6.56 0.214 0.727 0.219 1.508     308.389     300.000       7.344    4 
-    860000      172000.00      32.995     -41.416      -8.420   6.89 0.286 0.500 0.210 2.198     299.351     300.000       7.369    4 
-    870000      174000.00      40.198     -28.829      11.369   6.51 0.357 0.444 0.197 1.877     364.699     300.000       8.424    4 
-    880000      176000.00      36.360     -40.368      -4.008   6.59 0.357 0.615 0.241 3.999     329.877     300.000       7.150    4 
-    890000      178000.00      33.782     -38.911      -5.129   3.43 0.286 0.600 0.259 1.160     306.487     300.000       6.899    4 
-    900000      180000.00      32.450     -45.188     -12.739   4.60 0.214 0.824 0.412 2.477     294.400     300.000       6.558    4 
-    910000      182000.00      43.096     -39.620       3.477   4.24 0.429 0.538 0.280 2.698     390.992     300.000       6.964    4 
-    920000      184000.00      43.046     -43.684      -0.637   3.76 0.286 0.750 0.395 2.471     390.538     300.000       6.736    4 
-    930000      186000.00      32.616     -47.881     -15.264   3.66 0.500 0.500 0.328 2.141     295.910     300.000       6.979    4 
-    940000      188000.00      29.471     -45.093     -15.622   4.06 0.357 0.667 0.406 0.962     267.379     300.000       6.504    4 
-    950000      190000.00      48.372     -41.389       6.983   3.74 0.357 0.667 0.415 1.151     438.854     300.000       6.739    4 
-    960000      192000.00      41.933     -47.054      -5.121   4.35 0.357 0.750 0.452 2.420     380.438     300.000       6.671    4 
-    970000      194000.00      37.228     -51.690     -14.462   3.75 0.429 0.571 0.364 2.064     337.749     300.000       6.909    4 
-    980000      196000.00      33.618     -47.192     -13.573   3.44 0.286 0.692 0.367 2.086     305.004     300.000       6.817    4 
-    990000      198000.00      46.342     -39.101       7.241   2.60 0.357 0.545 0.289 1.545     420.436     300.000       6.910    4 
-   1000000      200000.00      32.444     -48.790     -16.346   3.87 0.286 0.765 0.406 2.185     294.350     300.000       6.361    4 
+         0           0.00      28.286      24.828      53.114  12.87 0.000   NaN   NaN 0.708     256.624     300.000      15.552    4 
+     10000        2000.00      36.376      16.676      53.052  10.38 0.071 0.500 0.159 2.391     330.018     300.000      13.923    4 
+     20000        4000.00      31.622      -9.732      21.890  10.06 0.000 1.000 0.227 0.920     286.889     300.000      12.075    4 
+     30000        6000.00      36.040      -1.419      34.621   9.51 0.143 0.714 0.221 2.677     326.976     300.000      11.636    4 
+     40000        8000.00      31.577     -18.386      13.191   7.20 0.214 0.700 0.259 1.226     286.487     300.000       9.944    4 
+     50000       10000.00      28.434     -16.664      11.770   5.90 0.214 0.667 0.263 1.306     257.970     300.000       8.794    4 
+     60000       12000.00      39.995     -33.495       6.499   6.31 0.286 0.500 0.193 1.941     362.854     300.000       9.846    4 
+     70000       14000.00      36.560     -25.110      11.450   6.71 0.214 0.400 0.155 1.636     331.692     300.000      10.367    4 
+     80000       16000.00      32.154     -21.642      10.511   7.97 0.214 0.667 0.187 2.764     291.715     300.000      10.771    4 
+     90000       18000.00      39.151     -25.394      13.757   7.32 0.286 0.500 0.182 1.754     355.200     300.000      10.444    4 
+    100000       20000.00      36.061     -18.248      17.813   6.42 0.214 0.571 0.240 1.678     327.161     300.000       9.468    4 
+    110000       22000.00      42.811     -23.485      19.326   6.37 0.071 0.833 0.220 2.170     388.407     300.000       9.659    4 
+    120000       24000.00      40.094      -8.984      31.110   6.93 0.143 0.333 0.242 2.173     363.753     300.000       9.203    4 
+    130000       26000.00      26.024     -25.824       0.200   5.06 0.071 0.857 0.266 1.603     236.099     300.000       8.770    4 
+    140000       28000.00      33.430     -23.416      10.015   6.44 0.143 0.667 0.189 2.245     303.298     300.000       9.696    4 
+    150000       30000.00      37.650     -23.337      14.313   4.60 0.143 0.778 0.414 1.446     341.577     300.000       7.829    4 
+    160000       32000.00      29.644     -37.517      -7.874   5.89 0.143 0.833 0.269 1.223     268.942     300.000       7.309    4 
+    170000       34000.00      42.143     -30.368      11.775   4.86 0.143 0.800 0.205 1.179     382.343     300.000       7.538    4 
+    180000       36000.00      37.215     -44.503      -7.289   5.64 0.143 0.857 0.341 1.259     337.629     300.000       6.792    4 
+    190000       38000.00      31.569     -35.957      -4.388   4.43 0.143 0.818 0.347 1.864     286.412     300.000       7.022    4 
+    200000       40000.00      39.898     -38.972       0.926   4.56 0.214 0.625 0.233 1.930     361.973     300.000       7.393    4 
+    210000       42000.00      34.113     -39.122      -5.008   4.83 0.286 0.636 0.298 1.510     309.492     300.000       7.201    4 
+    220000       44000.00      30.889     -31.920      -1.031   4.96 0.286 0.667 0.269 1.467     280.245     300.000       6.949    4 
+    230000       46000.00      34.477     -33.120       1.357   5.79 0.071 0.875 0.295 1.643     312.794     300.000       7.183    4 
+    240000       48000.00      42.874     -32.455      10.419   5.99 0.357 0.583 0.311 1.844     388.978     300.000       6.896    4 
+    250000       50000.00      30.871     -35.484      -4.613   6.28 0.143 0.667 0.265 1.292     280.079     300.000       7.443    4 
+    260000       52000.00      27.401     -29.985      -2.583   4.78 0.143 0.667 0.280 1.389     248.600     300.000       7.399    4 
+    270000       54000.00      34.671     -23.944      10.727   4.78 0.143 0.714 0.344 1.988     314.555     300.000       7.327    4 
+    280000       56000.00      30.698     -40.907     -10.209   4.37 0.214 0.750 0.333 1.854     278.509     300.000       6.482    4 
+    290000       58000.00      33.333     -44.626     -11.293   4.33 0.214 0.700 0.318 1.594     302.410     300.000       6.635    4 
+    300000       60000.00      36.381     -32.040       4.341   4.44 0.286 0.500 0.244 1.730     330.071     300.000       7.311    4 
+    310000       62000.00      31.683     -32.186      -0.503   4.15 0.429 0.538 0.304 2.213     287.445     300.000       7.204    4 
+    320000       64000.00      46.609     -42.559       4.050   4.99 0.214 0.750 0.367 1.867     422.857     300.000       6.815    4 
+    330000       66000.00      37.661     -32.167       5.494   4.77 0.214 0.727 0.355 1.723     341.683     300.000       7.108    4 
+    340000       68000.00      34.003     -25.729       8.274   3.95 0.071 0.875 0.398 1.394     308.495     300.000       7.186    4 
+    350000       70000.00      33.091     -29.255       3.836   4.83 0.071 0.875 0.489 1.400     300.219     300.000       6.977    4 
+    360000       72000.00      27.286     -21.810       5.475   4.76 0.143 0.818 0.413 1.714     247.549     300.000       7.083    4 
+    370000       74000.00      31.823     -42.955     -11.131   4.72 0.214 0.800 0.403 0.720     288.719     300.000       6.931    4 
+    380000       76000.00      43.693     -28.285      15.408   4.51 0.286 0.667 0.371 1.234     396.404     300.000       7.620    4 
+    390000       78000.00      32.125     -24.502       7.623   4.61 0.143 0.800 0.305 0.725     291.451     300.000       7.121    4 
+    400000       80000.00      35.053     -41.344      -6.292   4.63 0.143 0.818 0.475 2.108     318.015     300.000       7.137    4 
+    410000       82000.00      39.603     -36.202       3.401   4.98 0.143 0.714 0.396 1.485     359.295     300.000       7.047    4 
+    420000       84000.00      38.548     -35.912       2.636   4.69 0.214 0.786 0.386 2.055     349.730     300.000       7.305    4 
+    430000       86000.00      36.947     -27.720       9.227   3.97 0.214 0.667 0.258 3.156     335.204     300.000       7.527    4 
+    440000       88000.00      31.180     -37.568      -6.388   4.25 0.357 0.583 0.261 1.576     282.881     300.000       6.906    4 
+    450000       90000.00      32.340     -32.443      -0.103   5.45 0.286 0.556 0.258 1.124     293.410     300.000       7.162    4 
+    460000       92000.00      33.806     -35.564      -1.758   5.95 0.214 0.786 0.289 1.459     306.706     300.000       7.071    4 
+    470000       94000.00      37.911     -19.350      18.561   4.89 0.429 0.538 0.283 1.231     343.945     300.000       7.193    4 
+    480000       96000.00      39.503     -32.558       6.944   6.70 0.143 0.833 0.330 1.329     358.388     300.000       6.704    4 
+    490000       98000.00      38.169     -37.001       1.168   4.84 0.214 0.769 0.262 2.636     346.293     300.000       7.496    4 
+    500000      100000.00      37.702     -29.975       7.727   4.61 0.357 0.615 0.241 2.594     342.050     300.000       7.000    4 
+    510000      102000.00      30.694     -24.952       5.742   4.57 0.071 0.800 0.200 1.290     278.468     300.000       7.812    4 
+    520000      104000.00      34.363     -42.869      -8.506   4.99 0.357 0.643 0.250 1.706     311.758     300.000       6.954    4 
+    530000      106000.00      30.055     -38.315      -8.261   4.71 0.214 0.625 0.267 2.521     272.671     300.000       7.101    4 
+    540000      108000.00      31.099     -22.964       8.136   5.20 0.286 0.692 0.280 1.553     282.148     300.000       7.166    4 
+    550000      110000.00      32.434     -31.477       0.957   5.30 0.286 0.600 0.277 1.718     294.256     300.000       7.157    4 
+    560000      112000.00      32.089     -35.817      -3.728   5.25 0.286 0.692 0.213 1.298     291.124     300.000       7.001    4 
+    570000      114000.00      39.320     -38.891       0.429   6.37 0.429 0.500 0.250 2.055     356.728     300.000       6.904    4 
+    580000      116000.00      35.928     -19.895      16.033   4.54 0.071 0.800 0.300 1.840     325.959     300.000       7.739    4 
+    590000      118000.00      37.053     -35.443       1.610   4.47 0.214 0.727 0.322 1.687     336.166     300.000       7.070    4 
+    600000      120000.00      43.901     -18.846      25.055   4.20 0.214 0.667 0.313 1.583     398.293     300.000       7.097    4 
+    610000      122000.00      29.570     -33.473      -3.903   3.99 0.143 0.778 0.455 2.022     268.274     300.000       7.230    4 
+    620000      124000.00      31.050     -46.354     -15.305   5.12 0.143 0.818 0.459 1.172     281.699     300.000       6.748    4 
+    630000      126000.00      42.002     -36.857       5.145   5.82 0.286 0.556 0.227 2.268     381.064     300.000       7.733    4 
+    640000      128000.00      35.283     -31.660       3.623   5.19 0.429 0.500 0.337 2.604     320.104     300.000       7.137    4 
+    650000      130000.00      34.043     -35.660      -1.617   5.62 0.071 0.900 0.441 1.838     308.853     300.000       6.872    4 
+    660000      132000.00      31.211     -35.702      -4.491   4.58 0.214 0.625 0.381 0.896     283.162     300.000       6.985    4 
+    670000      134000.00      38.435     -38.012       0.423   4.49 0.286 0.692 0.441 2.048     348.702     300.000       6.979    4 
+    680000      136000.00      41.152     -40.275       0.877   3.82 0.214 0.700 0.359 2.153     373.352     300.000       7.242    4 
+    690000      138000.00      29.177     -34.694      -5.517   4.22 0.286 0.714 0.276 1.290     264.709     300.000       7.219    4 
+    700000      140000.00      41.613     -21.254      20.360   3.96 0.143 0.800 0.427 2.601     377.538     300.000       7.086    4 
+    710000      142000.00      34.347     -38.432      -4.085   4.16 0.143 0.750 0.256 1.728     311.618     300.000       7.492    4 
+    720000      144000.00      35.816     -37.202      -1.386   5.10 0.357 0.615 0.297 1.401     324.940     300.000       6.772    4 
+    730000      146000.00      31.845     -24.341       7.503   5.45 0.357 0.500 0.236 1.599     288.913     300.000       8.936    4 
+    740000      148000.00      41.146     -26.588      14.558   5.07 0.143 0.800 0.264 1.671     373.299     300.000       8.052    4 
+    750000      150000.00      36.453     -21.964      14.489   4.45 0.286 0.600 0.355 2.525     330.724     300.000       7.969    4 
+    760000      152000.00      43.338     -29.884      13.454   4.88 0.143 0.750 0.426 2.578     393.187     300.000       7.154    4 
+    770000      154000.00      37.086     -29.337       7.750   4.59 0.357 0.667 0.355 1.784     336.468     300.000       7.086    4 
+    780000      156000.00      39.427     -31.242       8.185   4.69 0.214 0.625 0.318 1.776     357.705     300.000       7.537    4 
+    790000      158000.00      30.882     -31.478      -0.595   5.62 0.214 0.786 0.344 1.557     280.181     300.000       6.842    4 
+    800000      160000.00      39.142     -23.228      15.914   4.83 0.214 0.625 0.278 1.454     355.116     300.000       7.645    4 
+    810000      162000.00      29.552     -23.643       5.909   5.36 0.286 0.500 0.170 1.108     268.107     300.000       8.695    4 
+    820000      164000.00      35.176     -33.398       1.778   4.31 0.357 0.615 0.346 2.521     319.133     300.000       7.600    4 
+    830000      166000.00      37.878     -32.638       5.240   4.27 0.286 0.556 0.283 1.415     343.650     300.000       7.861    4 
+    840000      168000.00      36.414     -23.858      12.556   5.20 0.214 0.769 0.301 1.783     330.364     300.000       7.481    4 
+    850000      170000.00      32.099     -34.631      -2.532   4.32 0.286 0.556 0.187 1.862     291.221     300.000       7.153    4 
+    860000      172000.00      34.981     -34.236       0.745   5.10 0.143 0.800 0.300 2.173     317.367     300.000       7.109    4 
+    870000      174000.00      29.313     -39.451     -10.139   4.63 0.286 0.636 0.335 2.209     265.939     300.000       6.476    4 
+    880000      176000.00      39.834     -29.555      10.279   4.64 0.357 0.500 0.191 1.652     361.396     300.000       7.324    4 
+    890000      178000.00      27.713     -27.230       0.483   4.96 0.214 0.500 0.265 1.227     251.427     300.000       7.455    4 
+    900000      180000.00      38.777     -27.389      11.388   4.08 0.143 0.714 0.260 1.828     351.809     300.000       7.937    4 
+    910000      182000.00      31.913     -26.441       5.472   4.51 0.214 0.667 0.379 1.397     289.531     300.000       7.301    4 
+    920000      184000.00      34.262     -33.639       0.622   4.29 0.071 0.875 0.403 2.033     310.839     300.000       7.206    4 
+    930000      186000.00      37.026     -41.595      -4.569   4.71 0.286 0.600 0.323 1.205     335.918     300.000       7.148    4 
+    940000      188000.00      39.716      -9.799      29.917   5.99 0.143 0.800 0.268 2.611     360.321     300.000       7.027    4 
+    950000      190000.00      37.729     -18.921      18.808   4.76 0.071 0.500 0.227 1.563     342.297     300.000       7.630    4 
+    960000      192000.00      40.515     -30.745       9.770   5.76 0.071 0.889 0.379 1.676     367.576     300.000       6.986    4 
+    970000      194000.00      40.576     -30.001      10.575   5.06 0.214 0.750 0.330 3.181     368.131     300.000       6.774    4 
+    980000      196000.00      46.819     -43.825       2.994   4.59 0.286 0.733 0.318 1.968     424.767     300.000       6.872    4 
+    990000      198000.00      27.662     -38.248     -10.586   4.99 0.143 0.846 0.329 1.534     250.961     300.000       6.753    4 
+   1000000      200000.00      26.823     -36.418      -9.595   4.89 0.214 0.750 0.447 2.114     243.354     300.000       6.886    4 
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB005.stat b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB005.stat
index 3f5a3cf..ed95c15 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB005.stat
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB005.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.270      21.213      54.483  12.87 0.000   NaN   NaN 0.935     301.842     300.000      15.552    5 
-     10000        2000.00      49.027       4.381      53.408   8.41 0.000   NaN   NaN 3.241     444.799     300.000      13.006    5 
-     20000        4000.00      38.730     -20.495      18.235  10.44 0.000   NaN   NaN 2.054     351.377     300.000      14.995    5 
-     30000        6000.00      42.577       2.802      45.379  12.51 0.000   NaN   NaN 4.537     386.277     300.000      16.236    5 
-     40000        8000.00      31.688      -6.589      25.099  12.28 0.000   NaN   NaN 4.227     287.489     300.000      15.989    5 
-     50000       10000.00      29.301     -24.826       4.475   9.21 0.143 0.500 0.193 1.470     265.832     300.000      12.130    5 
-     60000       12000.00      30.765     -24.040       6.726   6.59 0.143 0.818 0.269 2.778     279.118     300.000       7.530    5 
-     70000       14000.00      31.268     -42.255     -10.987   6.34 0.071 0.889 0.207 1.184     283.680     300.000       8.044    5 
-     80000       16000.00      43.090     -40.089       3.001   3.44 0.214 0.571 0.169 2.238     390.937     300.000       7.444    5 
-     90000       18000.00      35.568     -33.020       2.547   4.76 0.143 0.818 0.219 1.083     322.687     300.000       7.511    5 
-    100000       20000.00      33.503     -44.284     -10.782   4.90 0.143 0.818 0.227 3.289     303.952     300.000       7.245    5 
-    110000       22000.00      33.713     -36.711      -2.997   6.23 0.286 0.667 0.208 1.635     305.865     300.000       7.159    5 
-    120000       24000.00      37.717     -40.753      -3.036   6.96 0.143 0.818 0.231 1.935     342.189     300.000       7.009    5 
-    130000       26000.00      36.103     -39.882      -3.779   6.93 0.214 0.750 0.318 2.390     327.542     300.000       6.456    5 
-    140000       28000.00      38.182     -41.750      -3.568   4.56 0.286 0.556 0.192 2.813     346.411     300.000       7.664    5 
-    150000       30000.00      34.330     -45.582     -11.252   5.40 0.071 0.923 0.280 2.161     311.458     300.000       6.929    5 
-    160000       32000.00      34.391     -45.434     -11.042   4.75 0.357 0.615 0.283 0.975     312.016     300.000       6.572    5 
-    170000       34000.00      38.985     -40.667      -1.682   4.29 0.286 0.600 0.323 0.999     353.690     300.000       7.026    5 
-    180000       36000.00      31.883     -42.833     -10.950   5.70 0.286 0.733 0.318 1.046     289.258     300.000       6.709    5 
-    190000       38000.00      23.754     -37.749     -13.995   5.58 0.214 0.571 0.331 1.436     215.511     300.000       6.875    5 
-    200000       40000.00      35.107     -39.114      -4.007   5.06 0.214 0.812 0.341 2.245     318.504     300.000       6.640    5 
-    210000       42000.00      32.283     -38.076      -5.793   5.01 0.357 0.583 0.462 2.480     292.886     300.000       6.797    5 
-    220000       44000.00      43.029     -44.447      -1.418   5.48 0.286 0.692 0.434 2.013     390.377     300.000       6.535    5 
-    230000       46000.00      37.125     -38.644      -1.519   4.01 0.214 0.700 0.177 1.564     336.819     300.000       7.396    5 
-    240000       48000.00      30.585     -35.272      -4.687   5.19 0.357 0.286 0.156 0.885     277.484     300.000       7.893    5 
-    250000       50000.00      39.546     -43.237      -3.691   4.75 0.143 0.778 0.263 1.753     358.782     300.000       6.927    5 
-    260000       52000.00      38.711     -43.965      -5.254   4.81 0.143 0.800 0.314 1.569     351.209     300.000       7.089    5 
-    270000       54000.00      37.042     -35.239       1.803   4.64 0.214 0.750 0.231 3.634     336.063     300.000       8.256    5 
-    280000       56000.00      28.247     -32.413      -4.166   4.12 0.357 0.688 0.327 2.417     256.271     300.000       7.250    5 
-    290000       58000.00      35.966     -40.402      -4.436   5.19 0.286 0.636 0.273 1.591     326.299     300.000       7.444    5 
-    300000       60000.00      31.809     -35.497      -3.688   4.65 0.143 0.778 0.455 2.302     288.588     300.000       7.479    5 
-    310000       62000.00      27.619     -42.390     -14.770   5.22 0.214 0.769 0.311 1.418     250.577     300.000       7.037    5 
-    320000       64000.00      36.476     -36.451       0.026   4.51 0.214 0.750 0.311 1.265     330.931     300.000       7.074    5 
-    330000       66000.00      32.913     -38.805      -5.892   4.53 0.214 0.750 0.390 1.155     298.602     300.000       7.033    5 
-    340000       68000.00      26.500     -37.084     -10.584   4.55 0.143 0.846 0.357 2.415     240.423     300.000       6.854    5 
-    350000       70000.00      41.561     -41.919      -0.357   5.63 0.286 0.714 0.338 1.719     377.065     300.000       6.830    5 
-    360000       72000.00      34.273     -49.294     -15.021   5.56 0.214 0.786 0.451 2.316     310.943     300.000       6.714    5 
-    370000       74000.00      31.249     -37.645      -6.396   5.70 0.214 0.750 0.314 4.069     283.505     300.000       6.858    5 
-    380000       76000.00      35.055     -42.340      -7.285   5.83 0.143 0.800 0.355 2.683     318.037     300.000       6.950    5 
-    390000       78000.00      34.806     -41.083      -6.276   5.60 0.143 0.800 0.368 1.545     315.782     300.000       6.764    5 
-    400000       80000.00      33.926     -46.016     -12.090   6.45 0.143 0.778 0.374 0.733     307.798     300.000       6.912    5 
-    410000       82000.00      37.849     -46.238      -8.388   5.65 0.214 0.700 0.255 3.101     343.387     300.000       7.406    5 
-    420000       84000.00      27.723     -39.085     -11.362   6.09 0.214 0.750 0.356 1.237     251.518     300.000       6.703    5 
-    430000       86000.00      38.406     -47.134      -8.728   5.93 0.286 0.733 0.315 2.677     348.438     300.000       6.926    5 
-    440000       88000.00      34.517     -35.474      -0.958   5.84 0.286 0.556 0.268 1.889     313.153     300.000       7.069    5 
-    450000       90000.00      38.488     -45.226      -6.738   5.91 0.143 0.875 0.386 2.584     349.183     300.000       6.720    5 
-    460000       92000.00      37.650     -47.518      -9.868   6.03 0.214 0.727 0.326 2.111     341.582     300.000       6.837    5 
-    470000       94000.00      28.106     -36.695      -8.589   5.35 0.214 0.625 0.426 1.373     254.992     300.000       7.044    5 
-    480000       96000.00      29.574     -29.169       0.405   5.74 0.143 0.750 0.301 1.822     268.306     300.000       6.958    5 
-    490000       98000.00      39.714     -32.144       7.570   5.78 0.143 0.714 0.240 3.066     360.308     300.000       7.081    5 
-    500000      100000.00      30.461     -39.711      -9.249   6.01 0.214 0.727 0.417 1.120     276.360     300.000       6.877    5 
-    510000      102000.00      41.141     -35.490       5.651   5.57 0.214 0.667 0.293 1.405     373.256     300.000       7.020    5 
-    520000      104000.00      37.506     -45.763      -8.258   5.58 0.286 0.733 0.364 1.267     340.270     300.000       6.643    5 
-    530000      106000.00      33.660     -38.063      -4.403   5.95 0.143 0.778 0.379 1.148     305.379     300.000       6.812    5 
-    540000      108000.00      35.776     -32.360       3.416   4.31 0.071 0.923 0.332 4.015     324.575     300.000       7.416    5 
-    550000      110000.00      33.171     -43.403     -10.231   5.00 0.286 0.714 0.276 2.463     300.948     300.000       6.625    5 
-    560000      112000.00      30.253     -35.354      -5.101   4.48 0.286 0.500 0.193 2.062     274.475     300.000       7.368    5 
-    570000      114000.00      32.800     -41.633      -8.833   5.03 0.143 0.800 0.318 1.709     297.576     300.000       6.760    5 
-    580000      116000.00      31.539     -48.901     -17.362   5.76 0.214 0.769 0.346 2.005     286.141     300.000       6.641    5 
-    590000      118000.00      38.604     -40.891      -2.287   5.14 0.357 0.583 0.330 1.659     350.239     300.000       7.131    5 
-    600000      120000.00      33.885     -29.270       4.615   5.72 0.214 0.400 0.200 2.420     307.425     300.000       8.293    5 
-    610000      122000.00      40.770     -34.069       6.701   6.26 0.214 0.727 0.202 1.484     369.882     300.000       8.020    5 
-    620000      124000.00      36.718     -34.982       1.736   5.91 0.357 0.667 0.209 2.460     333.123     300.000       7.328    5 
-    630000      126000.00      33.227     -30.401       2.826   5.09 0.143 0.750 0.188 2.128     301.451     300.000       8.869    5 
-    640000      128000.00      31.370     -32.963      -1.593   4.32 0.357 0.500 0.227 1.200     284.607     300.000       7.133    5 
-    650000      130000.00      35.674     -40.541      -4.868   6.59 0.500 0.417 0.182 1.285     323.649     300.000       8.233    5 
-    660000      132000.00      27.703     -36.986      -9.283   5.95 0.143 0.778 0.182 1.255     251.336     300.000       8.369    5 
-    670000      134000.00      30.334     -39.929      -9.595   5.63 0.143 0.714 0.175 1.633     275.204     300.000       8.786    5 
-    680000      136000.00      42.069     -49.803      -7.733   3.69 0.143 0.714 0.182 0.786     381.675     300.000       7.781    5 
-    690000      138000.00      27.668     -45.402     -17.735   4.99 0.357 0.583 0.223 1.439     251.015     300.000       7.433    5 
-    700000      140000.00      36.047     -49.239     -13.192   6.24 0.357 0.706 0.278 1.711     327.035     300.000       6.855    5 
-    710000      142000.00      37.668     -44.456      -6.788   7.20 0.357 0.737 0.297 1.307     341.741     300.000       6.630    5 
-    720000      144000.00      30.809     -39.215      -8.406   5.47 0.143 0.846 0.234 2.003     279.511     300.000       7.124    5 
-    730000      146000.00      39.680     -44.114      -4.434   5.93 0.214 0.812 0.259 3.209     359.995     300.000       6.822    5 
-    740000      148000.00      42.427     -33.856       8.571   5.75 0.286 0.600 0.214 2.142     384.923     300.000       7.472    5 
-    750000      150000.00      33.238     -47.285     -14.047   5.72 0.357 0.667 0.255 1.485     301.553     300.000       6.901    5 
-    760000      152000.00      35.314     -47.606     -12.292   5.96 0.214 0.727 0.240 1.255     320.391     300.000       7.257    5 
-    770000      154000.00      47.401     -34.547      12.854   5.05 0.214 0.625 0.233 2.608     430.048     300.000       7.644    5 
-    780000      156000.00      43.837     -37.251       6.587   5.05 0.214 0.727 0.231 0.949     397.714     300.000       7.402    5 
-    790000      158000.00      35.645     -36.210      -0.565   2.19 0.643 0.526 0.289 2.084     323.389     300.000       6.704    5 
-    800000      160000.00      31.881     -43.025     -11.144   3.03 0.429 0.500 0.364 2.144     289.236     300.000       6.641    5 
-    810000      162000.00      38.897     -54.201     -15.304   2.28 0.357 0.688 0.355 0.801     352.893     300.000       6.548    5 
-    820000      164000.00      34.951     -47.366     -12.415   2.59 0.357 0.615 0.308 1.149     317.097     300.000       6.433    5 
-    830000      166000.00      38.675     -48.356      -9.681   2.91 0.286 0.714 0.390 1.866     350.878     300.000       6.376    5 
-    840000      168000.00      49.277     -43.473       5.804   2.72 0.429 0.571 0.263 2.348     447.063     300.000       7.080    5 
-    850000      170000.00      31.601     -37.440      -5.839   3.48 0.214 0.625 0.324 1.769     286.703     300.000       7.178    5 
-    860000      172000.00      34.618     -36.036      -1.419   3.51 0.286 0.714 0.302 1.981     314.069     300.000       6.629    5 
-    870000      174000.00      33.345     -38.917      -5.572   1.73 0.357 0.444 0.197 2.836     302.519     300.000       7.115    5 
-    880000      176000.00      40.694     -36.717       3.977   3.65 0.429 0.500 0.182 0.969     369.200     300.000       7.867    5 
-    890000      178000.00      45.674     -43.167       2.507   2.40 0.357 0.545 0.310 0.760     414.379     300.000       6.741    5 
-    900000      180000.00      35.474     -46.227     -10.753   2.68 0.571 0.500 0.315 1.861     321.837     300.000       6.314    5 
-    910000      182000.00      50.521     -46.321       4.200   1.71 0.500 0.462 0.297 1.256     458.352     300.000       6.503    5 
-    920000      184000.00      35.460     -50.092     -14.632   2.29 0.500 0.500 0.289 1.100     321.709     300.000       6.654    5 
-    930000      186000.00      36.143     -40.766      -4.623   1.84 0.429 0.538 0.248 2.874     327.904     300.000       6.851    5 
-    940000      188000.00      30.184     -43.607     -13.424   1.64 0.571 0.429 0.318 1.350     273.841     300.000       6.708    5 
-    950000      190000.00      42.057     -36.471       5.586   2.63 0.357 0.615 0.318 2.006     381.562     300.000       6.728    5 
-    960000      192000.00      38.995     -34.614       4.381   2.93 0.286 0.556 0.328 1.232     353.783     300.000       6.526    5 
-    970000      194000.00      29.627     -58.392     -28.765   2.42 0.500 0.533 0.276 1.465     268.791     300.000       6.673    5 
-    980000      196000.00      41.166     -44.237      -3.071   3.77 0.286 0.667 0.235 1.827     373.478     300.000       6.949    5 
-    990000      198000.00      31.052     -36.231      -5.180   3.61 0.286 0.733 0.373 1.663     281.717     300.000       6.343    5 
-   1000000      200000.00      41.213     -40.522       0.691   3.04 0.286 0.667 0.371 1.440     373.904     300.000       6.577    5 
+         0           0.00      34.855      24.828      59.683  12.87 0.000   NaN   NaN 0.708     316.222     300.000      15.552    5 
+     10000        2000.00      37.229     -14.431      22.798  10.76 0.071 0.500 0.182 1.870     337.760     300.000      14.423    5 
+     20000        4000.00      33.284     -12.578      20.705  10.45 0.000 1.000 0.167 3.076     301.966     300.000      12.935    5 
+     30000        6000.00      29.731     -25.213       4.518   9.43 0.214 0.250 0.159 0.952     269.736     300.000      11.742    5 
+     40000        8000.00      32.988     -31.991       0.997   6.93 0.214 0.625 0.216 2.329     299.288     300.000       8.242    5 
+     50000       10000.00      32.354     -19.325      13.029   6.48 0.214 0.625 0.182 1.196     293.532     300.000       8.283    5 
+     60000       12000.00      34.445     -29.960       4.485   4.46 0.214 0.700 0.205 2.334     312.505     300.000       7.363    5 
+     70000       14000.00      26.509     -34.885      -8.377   3.15 0.286 0.636 0.347 1.279     240.500     300.000       6.939    5 
+     80000       16000.00      40.230     -46.118      -5.888   2.38 0.357 0.444 0.389 0.767     364.986     300.000       7.228    5 
+     90000       18000.00      32.944     -47.421     -14.476   3.20 0.429 0.600 0.321 1.088     298.886     300.000       6.669    5 
+    100000       20000.00      34.355     -34.050       0.305   3.44 0.286 0.500 0.369 2.550     311.691     300.000       6.888    5 
+    110000       22000.00      34.585     -34.223       0.362   4.62 0.286 0.667 0.386 0.754     313.775     300.000       6.692    5 
+    120000       24000.00      32.363     -40.327      -7.964   3.04 0.286 0.733 0.348 2.351     293.612     300.000       6.856    5 
+    130000       26000.00      40.421     -37.078       3.343   3.77 0.286 0.692 0.336 1.690     366.722     300.000       7.133    5 
+    140000       28000.00      27.001     -34.797      -7.796   3.74 0.357 0.667 0.327 1.434     244.970     300.000       7.086    5 
+    150000       30000.00      35.803     -44.517      -8.714   3.36 0.571 0.467 0.339 1.247     324.826     300.000       6.604    5 
+    160000       32000.00      35.425     -37.215      -1.790   3.89 0.214 0.833 0.409 2.842     321.394     300.000       6.463    5 
+    170000       34000.00      38.000     -33.987       4.013   3.01 0.286 0.733 0.352 2.055     344.760     300.000       6.786    5 
+    180000       36000.00      36.794     -40.135      -3.341   2.51 0.500 0.500 0.263 1.218     333.813     300.000       7.043    5 
+    190000       38000.00      35.167     -34.889       0.278   3.40 0.286 0.636 0.331 1.776     319.051     300.000       6.983    5 
+    200000       40000.00      31.441     -37.405      -5.964   3.37 0.214 0.786 0.299 1.823     285.249     300.000       7.451    5 
+    210000       42000.00      44.064     -29.918      14.147   4.41 0.214 0.625 0.392 1.721     399.773     300.000       7.367    5 
+    220000       44000.00      38.720     -35.648       3.072   4.89 0.214 0.667 0.374 1.710     351.287     300.000       7.589    5 
+    230000       46000.00      34.117     -37.393      -3.276   3.80 0.214 0.786 0.341 3.269     309.526     300.000       6.878    5 
+    240000       48000.00      44.460     -28.747      15.714   3.11 0.214 0.500 0.242 3.071     403.368     300.000       7.650    5 
+    250000       50000.00      30.185     -33.225      -3.039   4.21 0.214 0.667 0.268 2.666     273.857     300.000       7.396    5 
+    260000       52000.00      35.795     -39.133      -3.338   3.70 0.357 0.615 0.367 1.035     324.751     300.000       7.073    5 
+    270000       54000.00      27.288     -31.022      -3.734   4.41 0.214 0.800 0.370 1.745     247.574     300.000       6.725    5 
+    280000       56000.00      30.135     -38.670      -8.535   2.87 0.357 0.615 0.329 1.718     273.402     300.000       6.610    5 
+    290000       58000.00      29.963     -43.694     -13.731   3.13 0.429 0.455 0.351 1.524     271.837     300.000       6.748    5 
+    300000       60000.00      30.788     -29.760       1.028   4.88 0.286 0.692 0.280 0.778     279.328     300.000       6.666    5 
+    310000       62000.00      26.851     -34.921      -8.070   3.87 0.214 0.571 0.214 1.022     243.605     300.000       7.267    5 
+    320000       64000.00      31.695     -25.302       6.393   3.80 0.071 0.889 0.369 1.557     287.552     300.000       6.629    5 
+    330000       66000.00      30.909     -20.041      10.868   5.22 0.214 0.667 0.202 3.332     280.418     300.000       7.644    5 
+    340000       68000.00      38.396     -23.553      14.843   4.86 0.143 0.600 0.264 2.564     348.350     300.000       7.431    5 
+    350000       70000.00      37.775     -40.613      -2.839   4.57 0.286 0.765 0.356 1.691     342.711     300.000       6.809    5 
+    360000       72000.00      33.908     -32.518       1.390   3.85 0.357 0.643 0.266 2.028     307.629     300.000       6.976    5 
+    370000       74000.00      30.649     -32.857      -2.208   4.96 0.143 0.818 0.409 1.291     278.065     300.000       6.839    5 
+    380000       76000.00      35.589     -28.719       6.870   5.30 0.214 0.500 0.212 1.187     322.884     300.000       8.192    5 
+    390000       78000.00      34.838     -37.685      -2.847   5.87 0.286 0.714 0.221 1.741     316.065     300.000       7.462    5 
+    400000       80000.00      33.124     -37.325      -4.201   5.10 0.286 0.733 0.245 3.110     300.519     300.000       7.036    5 
+    410000       82000.00      39.003     -47.876      -8.873   4.98 0.357 0.737 0.239 1.545     353.854     300.000       6.760    5 
+    420000       84000.00      35.838     -29.453       6.385   4.74 0.357 0.667 0.227 1.775     325.138     300.000       7.332    5 
+    430000       86000.00      38.877     -43.302      -4.425   5.77 0.214 0.727 0.231 2.692     352.709     300.000       6.884    5 
+    440000       88000.00      40.237     -44.092      -3.854   6.58 0.286 0.667 0.223 1.175     365.055     300.000       7.445    5 
+    450000       90000.00      41.083     -46.831      -5.748   5.70 0.286 0.667 0.216 2.227     372.725     300.000       7.611    5 
+    460000       92000.00      36.699     -27.404       9.296   7.22 0.143 0.800 0.236 0.890     332.953     300.000       7.723    5 
+    470000       94000.00      32.140     -32.683      -0.543   7.31 0.286 0.556 0.162 1.061     291.594     300.000       9.222    5 
+    480000       96000.00      27.640     -41.292     -13.652   6.71 0.286 0.714 0.224 1.658     250.762     300.000       6.817    5 
+    490000       98000.00      28.845     -34.318      -5.473   6.05 0.286 0.600 0.200 1.504     261.694     300.000       7.725    5 
+    500000      100000.00      35.441     -33.770       1.670   4.58 0.214 0.750 0.231 2.321     321.535     300.000       7.374    5 
+    510000      102000.00      32.744     -32.060       0.685   4.00 0.214 0.727 0.215 0.909     297.072     300.000       7.190    5 
+    520000      104000.00      49.651     -35.294      14.357   5.92 0.214 0.700 0.227 1.900     450.463     300.000       7.634    5 
+    530000      106000.00      34.662     -29.531       5.131   6.90 0.286 0.636 0.186 1.965     314.471     300.000       7.632    5 
+    540000      108000.00      36.204     -29.556       6.648   6.82 0.214 0.750 0.231 2.061     328.458     300.000       7.314    5 
+    550000      110000.00      34.951     -22.211      12.740   6.10 0.286 0.667 0.273 2.578     317.093     300.000       7.021    5 
+    560000      112000.00      25.596     -35.831     -10.235   6.83 0.214 0.667 0.202 1.788     232.216     300.000       7.654    5 
+    570000      114000.00      36.847     -31.235       5.612   6.42 0.071 0.857 0.182 1.757     334.296     300.000       7.925    5 
+    580000      116000.00      39.605     -25.323      14.282   6.41 0.143 0.714 0.208 2.666     359.318     300.000       7.530    5 
+    590000      118000.00      36.673     -41.317      -4.644   6.82 0.286 0.636 0.194 2.301     332.716     300.000       8.025    5 
+    600000      120000.00      34.397     -28.179       6.219   5.66 0.143 0.750 0.182 1.696     312.068     300.000       8.770    5 
+    610000      122000.00      34.022     -39.467      -5.445   6.39 0.214 0.769 0.245 1.200     308.668     300.000       7.188    5 
+    620000      124000.00      28.590     -27.035       1.555   5.59 0.214 0.571 0.169 1.746     259.385     300.000       8.301    5 
+    630000      126000.00      36.246     -32.193       4.053   2.11 0.357 0.500 0.286 2.082     328.843     300.000       7.025    5 
+    640000      128000.00      34.249     -29.255       4.994   2.15 0.500 0.364 0.318 1.879     310.728     300.000       7.047    5 
+    650000      130000.00      28.844     -32.548      -3.704   3.14 0.357 0.667 0.285 2.808     261.687     300.000       6.781    5 
+    660000      132000.00      39.135     -34.224       4.911   2.96 0.357 0.667 0.330 1.865     355.057     300.000       6.706    5 
+    670000      134000.00      34.564     -31.991       2.573   3.26 0.357 0.500 0.182 2.733     313.582     300.000       6.940    5 
+    680000      136000.00      36.875     -35.761       1.114   2.75 0.429 0.500 0.201 2.889     334.549     300.000       7.061    5 
+    690000      138000.00      33.293     -35.561      -2.268   2.81 0.429 0.600 0.333 1.293     302.047     300.000       6.636    5 
+    700000      140000.00      36.617     -32.919       3.698   3.69 0.214 0.800 0.379 1.422     332.207     300.000       6.707    5 
+    710000      142000.00      36.611     -33.191       3.421   1.95 0.286 0.692 0.392 1.518     332.158     300.000       7.057    5 
+    720000      144000.00      36.848     -30.961       5.887   3.62 0.286 0.500 0.170 2.257     334.305     300.000       7.253    5 
+    730000      146000.00      33.147     -26.350       6.797   4.21 0.286 0.636 0.298 2.099     300.727     300.000       7.056    5 
+    740000      148000.00      24.823     -32.040      -7.217   4.88 0.357 0.545 0.248 1.501     225.209     300.000       7.163    5 
+    750000      150000.00      40.605     -45.169      -4.564   4.82 0.286 0.636 0.277 0.776     368.391     300.000       7.411    5 
+    760000      152000.00      36.898     -31.094       5.804   4.12 0.500 0.500 0.231 1.874     334.756     300.000       6.973    5 
+    770000      154000.00      36.523     -25.520      11.003   4.82 0.214 0.667 0.263 1.485     331.357     300.000       6.998    5 
+    780000      156000.00      36.475     -31.136       5.339   3.50 0.286 0.692 0.304 2.899     330.920     300.000       7.185    5 
+    790000      158000.00      39.130     -32.598       6.532   3.34 0.214 0.700 0.336 2.480     355.008     300.000       6.639    5 
+    800000      160000.00      31.883     -32.883      -1.000   3.17 0.143 0.750 0.540 2.203     289.256     300.000       6.780    5 
+    810000      162000.00      41.177     -27.476      13.700   2.50 0.286 0.714 0.289 1.785     373.575     300.000       7.162    5 
+    820000      164000.00      34.703     -41.692      -6.989   4.07 0.357 0.615 0.189 1.902     314.841     300.000       7.185    5 
+    830000      166000.00      37.678     -23.170      14.508   2.91 0.429 0.625 0.222 2.371     341.833     300.000       6.896    5 
+    840000      168000.00      29.707     -38.319      -8.612   3.01 0.286 0.636 0.277 0.773     269.519     300.000       7.535    5 
+    850000      170000.00      36.762     -15.354      21.408   5.15 0.071 0.750 0.170 2.785     333.523     300.000       9.448    5 
+    860000      172000.00      31.077     -39.851      -8.774   4.80 0.214 0.769 0.343 2.104     281.947     300.000       7.057    5 
+    870000      174000.00      30.801     -34.026      -3.225   6.35 0.286 0.556 0.217 1.949     279.444     300.000       6.891    5 
+    880000      176000.00      35.420     -43.836      -8.415   5.29 0.286 0.636 0.236 1.140     321.350     300.000       6.752    5 
+    890000      178000.00      36.238     -16.021      20.217   4.90 0.286 0.636 0.293 2.942     328.772     300.000       7.035    5 
+    900000      180000.00      36.319     -25.063      11.256   6.29 0.286 0.692 0.357 2.560     329.507     300.000       7.157    5 
+    910000      182000.00      31.436     -31.986      -0.550   6.58 0.143 0.800 0.350 1.256     285.207     300.000       7.031    5 
+    920000      184000.00      33.287     -29.189       4.098   6.49 0.286 0.500 0.222 3.089     301.998     300.000       6.964    5 
+    930000      186000.00      33.232     -36.406      -3.174   6.65 0.286 0.500 0.312 1.212     301.493     300.000       6.725    5 
+    940000      188000.00      36.391     -14.290      22.101   6.85 0.357 0.545 0.207 1.405     330.162     300.000       7.697    5 
+    950000      190000.00      37.091     -36.018       1.073   5.28 0.429 0.625 0.332 2.130     336.513     300.000       7.085    5 
+    960000      192000.00      35.162     -31.365       3.796   7.08 0.286 0.200 0.145 1.304     319.003     300.000       7.125    5 
+    970000      194000.00      51.618     -24.014      27.604   4.61 0.286 0.429 0.182 1.531     468.307     300.000       7.954    5 
+    980000      196000.00      36.426     -29.094       7.333   6.00 0.071 0.800 0.282 1.301     330.480     300.000       8.278    5 
+    990000      198000.00      33.941     -33.119       0.821   4.23 0.357 0.615 0.238 2.398     307.927     300.000       6.899    5 
+   1000000      200000.00      48.983     -25.855      23.128   4.19 0.286 0.636 0.256 1.584     444.399     300.000       6.805    5 
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB006.stat b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB006.stat
index 435478a..02b2ef0 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB006.stat
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB006.stat
@@ -1,101 +1,101 @@
-         0           0.00      38.989      21.213      60.202  12.87 0.000   NaN   NaN 0.935     353.726     300.000      15.552    6 
-     10000        2000.00      42.516     -21.823      20.694   8.08 0.071 0.667 0.167 1.080     385.730     300.000      11.421    6 
-     20000        4000.00      37.806      -8.698      29.108   7.58 0.000 1.000 0.152 1.670     342.999     300.000      11.888    6 
-     30000        6000.00      25.262     -15.685       9.577   6.97 0.000 1.000 0.182 1.761     229.194     300.000      11.889    6 
-     40000        8000.00      38.123     -13.966      24.157   5.99 0.071 0.667 0.227 3.795     345.870     300.000       9.373    6 
-     50000       10000.00      30.990     -43.258     -12.269   5.98 0.143 0.857 0.269 1.600     281.153     300.000       6.796    6 
-     60000       12000.00      33.494     -44.747     -11.253   6.34 0.214 0.812 0.290 1.650     303.876     300.000       7.010    6 
-     70000       14000.00      39.083     -44.809      -5.726   5.54 0.214 0.769 0.259 2.480     354.581     300.000       7.235    6 
-     80000       16000.00      37.236     -45.930      -8.694   4.32 0.214 0.727 0.368 0.900     337.821     300.000       6.951    6 
-     90000       18000.00      50.686     -42.114       8.572   4.65 0.286 0.692 0.427 3.407     459.848     300.000       7.228    6 
-    100000       20000.00      33.665     -42.122      -8.458   4.82 0.357 0.722 0.389 1.825     305.422     300.000       6.928    6 
-    110000       22000.00      27.998     -42.576     -14.578   4.65 0.143 0.800 0.264 2.393     254.009     300.000       7.114    6 
-    120000       24000.00      37.078     -45.302      -8.224   4.91 0.143 0.778 0.303 1.314     336.387     300.000       7.076    6 
-    130000       26000.00      35.502     -52.373     -16.871   5.55 0.143 0.857 0.289 1.571     322.089     300.000       7.250    6 
-    140000       28000.00      37.622     -25.476      12.146   6.78 0.143 0.833 0.314 1.514     341.328     300.000       6.932    6 
-    150000       30000.00      36.823     -34.103       2.720   6.60 0.143 0.667 0.220 1.838     334.074     300.000       8.178    6 
-    160000       32000.00      38.689     -35.757       2.933   4.57 0.286 0.692 0.276 2.436     351.011     300.000       7.516    6 
-    170000       34000.00      30.862     -34.444      -3.583   6.59 0.214 0.750 0.239 1.270     279.992     300.000       7.792    6 
-    180000       36000.00      32.881     -37.174      -4.293   8.48 0.214 0.625 0.250 1.521     298.317     300.000       9.881    6 
-    190000       38000.00      39.762     -25.847      13.915   5.99 0.071 0.909 0.364 1.903     360.739     300.000       7.909    6 
-    200000       40000.00      40.391     -36.646       3.746   5.47 0.143 0.800 0.309 3.933     366.452     300.000       7.309    6 
-    210000       42000.00      37.797     -33.818       3.979   4.87 0.071 0.909 0.331 0.947     342.913     300.000       7.907    6 
-    220000       44000.00      34.540     -36.510      -1.970   6.30 0.143 0.818 0.306 2.816     313.364     300.000       7.464    6 
-    230000       46000.00      30.279     -24.894       5.385   5.63 0.214 0.571 0.351 1.511     274.708     300.000       7.235    6 
-    240000       48000.00      26.034     -39.246     -13.212   6.32 0.000 1.000 0.290 0.945     236.192     300.000       7.490    6 
-    250000       50000.00      40.953     -27.648      13.304   6.06 0.143 0.800 0.368 2.805     371.545     300.000       7.385    6 
-    260000       52000.00      37.494     -35.826       1.668   5.79 0.143 0.846 0.381 2.482     340.168     300.000       6.712    6 
-    270000       54000.00      28.967     -33.187      -4.219   5.87 0.143 0.800 0.305 0.811     262.805     300.000       7.017    6 
-    280000       56000.00      41.186     -33.306       7.880   5.66 0.143 0.778 0.343 2.113     373.656     300.000       7.601    6 
-    290000       58000.00      39.911     -40.926      -1.015   5.99 0.214 0.571 0.331 1.688     362.090     300.000       7.559    6 
-    300000       60000.00      29.216     -43.333     -14.117   5.99 0.286 0.600 0.273 1.968     265.060     300.000       6.915    6 
-    310000       62000.00      36.774     -44.855      -8.080   6.77 0.214 0.667 0.313 1.434     333.637     300.000       7.224    6 
-    320000       64000.00      34.023     -37.482      -3.460   6.86 0.214 0.750 0.250 1.999     308.671     300.000       7.092    6 
-    330000       66000.00      35.185     -37.175      -1.990   5.25 0.429 0.625 0.318 2.362     319.214     300.000       7.227    6 
-    340000       68000.00      42.727     -44.096      -1.368   5.76 0.214 0.727 0.244 2.240     387.646     300.000       7.240    6 
-    350000       70000.00      32.442     -50.075     -17.633   4.98 0.214 0.700 0.300 2.396     294.331     300.000       7.096    6 
-    360000       72000.00      30.213     -48.228     -18.016   4.86 0.214 0.786 0.312 1.978     274.105     300.000       6.788    6 
-    370000       74000.00      36.315     -46.656     -10.340   5.01 0.143 0.778 0.343 1.626     329.473     300.000       7.071    6 
-    380000       76000.00      32.148     -25.455       6.693   5.55 0.214 0.500 0.174 1.641     291.661     300.000       6.946    6 
-    390000       78000.00      45.283     -44.045       1.238   5.93 0.286 0.667 0.273 2.058     410.835     300.000       7.322    6 
-    400000       80000.00      38.160     -38.919      -0.759   5.65 0.214 0.700 0.364 1.996     346.207     300.000       6.839    6 
-    410000       82000.00      29.739     -36.170      -6.431   6.26 0.143 0.778 0.313 2.286     269.809     300.000       7.005    6 
-    420000       84000.00      36.223     -37.266      -1.042   6.05 0.071 0.833 0.455 0.835     328.638     300.000       7.355    6 
-    430000       86000.00      30.483     -41.053     -10.570   6.06 0.286 0.733 0.342 2.113     276.559     300.000       6.705    6 
-    440000       88000.00      40.928     -37.583       3.345   5.77 0.214 0.769 0.360 1.670     371.316     300.000       6.914    6 
-    450000       90000.00      35.953     -42.413      -6.460   5.34 0.214 0.625 0.284 2.433     326.183     300.000       7.402    6 
-    460000       92000.00      30.617     -40.358      -9.742   6.10 0.214 0.769 0.315 2.477     277.770     300.000       6.905    6 
-    470000       94000.00      36.780     -32.306       4.475   6.17 0.357 0.643 0.334 2.890     333.690     300.000       6.910    6 
-    480000       96000.00      32.223     -45.920     -13.697   6.00 0.214 0.667 0.394 2.022     292.341     300.000       6.838    6 
-    490000       98000.00      42.774     -47.186      -4.412   6.29 0.214 0.750 0.379 1.599     388.069     300.000       6.642    6 
-    500000      100000.00      33.650     -52.192     -18.542   6.30 0.286 0.692 0.318 1.313     305.292     300.000       6.728    6 
-    510000      102000.00      38.432     -49.876     -11.445   5.62 0.143 0.800 0.323 1.516     348.673     300.000       7.070    6 
-    520000      104000.00      38.096     -50.211     -12.116   6.17 0.286 0.733 0.330 3.317     345.623     300.000       6.586    6 
-    530000      106000.00      36.321     -42.388      -6.067   6.34 0.143 0.818 0.360 0.943     329.520     300.000       6.800    6 
-    540000      108000.00      31.323     -41.996     -10.673   5.58 0.214 0.769 0.332 1.847     284.180     300.000       6.847    6 
-    550000      110000.00      32.981     -49.058     -16.077   4.91 0.214 0.812 0.341 1.085     299.219     300.000       6.764    6 
-    560000      112000.00      29.788     -45.650     -15.862   5.66 0.214 0.824 0.388 3.069     270.254     300.000       6.847    6 
-    570000      114000.00      29.235     -33.064      -3.828   4.80 0.214 0.769 0.364 2.967     265.237     300.000       7.082    6 
-    580000      116000.00      37.813     -40.943      -3.130   4.63 0.286 0.556 0.258 1.368     343.055     300.000       7.193    6 
-    590000      118000.00      40.431     -34.786       5.645   4.41 0.143 0.667 0.288 1.210     366.811     300.000       7.444    6 
-    600000      120000.00      27.093     -32.291      -5.198   5.56 0.214 0.750 0.299 2.558     245.804     300.000       7.024    6 
-    610000      122000.00      32.573     -33.213      -0.640   6.65 0.143 0.714 0.247 1.218     295.521     300.000       7.030    6 
-    620000      124000.00      33.908     -34.308      -0.400   4.47 0.357 0.643 0.334 1.317     307.634     300.000       6.853    6 
-    630000      126000.00      27.680     -37.927     -10.247   4.38 0.286 0.636 0.351 2.095     251.125     300.000       6.952    6 
-    640000      128000.00      30.917     -45.097     -14.180   5.40 0.214 0.812 0.330 1.722     280.495     300.000       6.802    6 
-    650000      130000.00      33.411     -44.150     -10.740   5.59 0.357 0.643 0.286 1.589     303.119     300.000       7.206    6 
-    660000      132000.00      30.399     -44.566     -14.167   5.28 0.286 0.692 0.332 2.120     275.795     300.000       6.732    6 
-    670000      134000.00      32.903     -33.106      -0.203   5.51 0.357 0.444 0.419 2.088     298.513     300.000       7.029    6 
-    680000      136000.00      36.050     -32.811       3.239   5.65 0.214 0.750 0.326 0.788     327.061     300.000       6.810    6 
-    690000      138000.00      27.958     -37.449      -9.490   6.89 0.000 1.000 0.237 4.287     253.652     300.000       6.800    6 
-    700000      140000.00      39.126     -33.706       5.420   6.97 0.143 0.846 0.259 2.492     354.969     300.000       6.620    6 
-    710000      142000.00      37.430     -51.107     -13.677   6.45 0.286 0.750 0.278 1.408     339.581     300.000       6.824    6 
-    720000      144000.00      35.701     -51.965     -16.264   6.12 0.286 0.765 0.409 1.897     323.900     300.000       6.779    6 
-    730000      146000.00      39.094     -46.287      -7.193   5.97 0.286 0.692 0.329 2.745     354.679     300.000       6.860    6 
-    740000      148000.00      29.143     -39.858     -10.715   5.94 0.143 0.818 0.335 1.409     264.398     300.000       6.845    6 
-    750000      150000.00      35.179     -36.283      -1.104   5.66 0.143 0.800 0.377 2.025     319.158     300.000       6.842    6 
-    760000      152000.00      41.938     -41.272       0.666   4.65 0.143 0.800 0.318 1.663     380.484     300.000       7.603    6 
-    770000      154000.00      33.448     -37.516      -4.068   4.90 0.143 0.750 0.312 1.024     303.458     300.000       7.022    6 
-    780000      156000.00      31.241     -30.575       0.666   4.71 0.143 0.778 0.419 0.947     283.434     300.000       7.503    6 
-    790000      158000.00      28.996     -41.190     -12.194   4.93 0.143 0.875 0.364 1.239     263.069     300.000       6.960    6 
-    800000      160000.00      34.635     -27.310       7.325   5.07 0.071 0.875 0.398 1.126     314.223     300.000       7.123    6 
-    810000      162000.00      44.115     -32.663      11.452   4.86 0.071 0.800 0.291 1.556     400.235     300.000       7.299    6 
-    820000      164000.00      31.528     -29.622       1.906   4.75 0.357 0.583 0.330 1.661     286.038     300.000       6.571    6 
-    830000      166000.00      34.715     -27.250       7.465   4.78 0.143 0.800 0.245 0.936     314.952     300.000       7.050    6 
-    840000      168000.00      38.094     -29.776       8.318   4.93 0.143 0.778 0.313 1.406     345.605     300.000       7.390    6 
-    850000      170000.00      32.191     -35.777      -3.586   4.67 0.143 0.778 0.419 1.177     292.050     300.000       7.169    6 
-    860000      172000.00      23.988     -34.527     -10.539   4.40 0.214 0.667 0.303 1.611     217.632     300.000       7.473    6 
-    870000      174000.00      42.479     -35.994       6.485   4.69 0.286 0.500 0.261 1.335     385.390     300.000       7.304    6 
-    880000      176000.00      27.948     -44.960     -17.012   4.81 0.214 0.786 0.451 1.682     253.554     300.000       6.652    6 
-    890000      178000.00      32.621     -46.472     -13.851   4.63 0.286 0.692 0.371 1.854     295.952     300.000       6.764    6 
-    900000      180000.00      34.207     -32.850       1.357   5.15 0.143 0.778 0.343 1.335     310.346     300.000       6.801    6 
-    910000      182000.00      31.492     -45.697     -14.204   5.08 0.357 0.667 0.373 1.628     285.714     300.000       7.114    6 
-    920000      184000.00      41.233     -55.610     -14.377   4.90 0.357 0.706 0.380 1.201     374.090     300.000       6.865    6 
-    930000      186000.00      28.470     -40.189     -11.719   4.66 0.286 0.733 0.406 1.938     258.293     300.000       6.958    6 
-    940000      188000.00      26.696     -30.759      -4.063   4.20 0.143 0.833 0.223 2.359     242.200     300.000       7.445    6 
-    950000      190000.00      40.099     -34.268       5.831   5.20 0.286 0.714 0.286 2.265     363.800     300.000       7.193    6 
-    960000      192000.00      33.904     -42.450      -8.546   4.87 0.214 0.786 0.390 1.542     307.592     300.000       7.444    6 
-    970000      194000.00      33.187     -37.166      -3.979   5.06 0.143 0.800 0.386 0.899     301.088     300.000       7.099    6 
-    980000      196000.00      36.578     -30.126       6.452   4.90 0.143 0.778 0.308 1.039     331.852     300.000       7.456    6 
-    990000      198000.00      42.497     -33.515       8.982   4.77 0.286 0.750 0.335 2.154     385.553     300.000       6.995    6 
-   1000000      200000.00      38.501     -48.325      -9.823   4.85 0.214 0.750 0.345 1.306     349.302     300.000       7.037    6 
+         0           0.00      35.724      24.828      60.552  12.87 0.000   NaN   NaN 0.708     324.108     300.000      15.552    6 
+     10000        2000.00      33.982       5.972      39.955   8.69 0.000   NaN   NaN 2.087     308.304     300.000      12.336    6 
+     20000        4000.00      38.206      -5.771      32.435   7.11 0.071 0.875 0.301 1.720     346.628     300.000       9.493    6 
+     30000        6000.00      32.607     -23.876       8.731   6.31 0.071 0.800 0.345 1.120     295.826     300.000       7.962    6 
+     40000        8000.00      44.628     -14.226      30.402   5.99 0.143 0.667 0.182 1.143     404.887     300.000       8.024    6 
+     50000       10000.00      38.175     -22.904      15.271   6.36 0.071 0.857 0.286 2.664     346.346     300.000       7.536    6 
+     60000       12000.00      26.383     -17.780       8.602   6.37 0.143 0.800 0.323 3.268     239.357     300.000       6.827    6 
+     70000       14000.00      36.021     -32.206       3.815   6.23 0.143 0.818 0.512 1.248     326.798     300.000       6.763    6 
+     80000       16000.00      34.616     -30.393       4.223   6.92 0.286 0.667 0.379 1.024     314.050     300.000       6.932    6 
+     90000       18000.00      30.028     -17.291      12.737   6.20 0.071 0.857 0.253 3.467     272.431     300.000       7.327    6 
+    100000       20000.00      34.604     -24.054      10.550   5.44 0.143 0.800 0.282 2.492     313.948     300.000       7.458    6 
+    110000       22000.00      33.461     -27.720       5.741   6.81 0.143 0.600 0.236 1.585     303.576     300.000       7.689    6 
+    120000       24000.00      32.516     -32.777      -0.262   6.99 0.143 0.778 0.333 1.969     294.998     300.000       7.297    6 
+    130000       26000.00      35.054     -26.379       8.675   5.81 0.071 0.667 0.227 2.227     318.030     300.000       7.721    6 
+    140000       28000.00      35.314     -15.239      20.076   4.89 0.214 0.571 0.182 2.106     320.389     300.000       7.788    6 
+    150000       30000.00      27.919     -27.996      -0.076   4.98 0.071 0.900 0.409 0.979     253.299     300.000       7.374    6 
+    160000       32000.00      36.922     -26.309      10.612   4.33 0.214 0.667 0.348 1.443     334.973     300.000       7.185    6 
+    170000       34000.00      40.169     -26.151      14.019   4.98 0.214 0.667 0.303 2.295     364.435     300.000       7.557    6 
+    180000       36000.00      33.882     -30.638       3.244   6.42 0.143 0.714 0.312 1.454     307.393     300.000       7.758    6 
+    190000       38000.00      35.143     -11.277      23.866   6.64 0.143 0.714 0.370 2.493     318.834     300.000       8.025    6 
+    200000       40000.00      33.574     -13.388      20.186   5.47 0.214 0.667 0.338 1.901     304.599     300.000       7.688    6 
+    210000       42000.00      28.050     -13.919      14.131   6.10 0.143 0.778 0.263 1.239     254.485     300.000       7.654    6 
+    220000       44000.00      36.438     -23.255      13.183   5.39 0.143 0.778 0.273 1.608     330.585     300.000       7.007    6 
+    230000       46000.00      38.968     -22.333      16.635   5.86 0.214 0.750 0.447 1.480     353.540     300.000       6.617    6 
+    240000       48000.00      36.623     -30.651       5.972   5.31 0.143 0.800 0.391 2.210     332.264     300.000       7.313    6 
+    250000       50000.00      32.793     -24.698       8.095   4.94 0.071 0.875 0.392 2.087     297.516     300.000       7.145    6 
+    260000       52000.00      35.426     -25.065      10.361   4.78 0.143 0.750 0.347 1.173     321.405     300.000       6.997    6 
+    270000       54000.00      34.766     -28.417       6.349   5.56 0.214 0.700 0.355 2.500     315.418     300.000       6.955    6 
+    280000       56000.00      25.052     -28.968      -3.916   5.61 0.143 0.867 0.330 2.514     227.286     300.000       6.499    6 
+    290000       58000.00      34.741     -28.691       6.050   5.33 0.143 0.818 0.273 1.488     315.185     300.000       6.756    6 
+    300000       60000.00      30.118     -28.265       1.853   5.65 0.071 0.857 0.351 2.145     273.244     300.000       6.988    6 
+    310000       62000.00      35.472     -24.428      11.044   6.00 0.143 0.778 0.354 2.332     321.820     300.000       7.360    6 
+    320000       64000.00      33.080     -19.810      13.270   5.57 0.143 0.750 0.432 1.984     300.120     300.000       6.846    6 
+    330000       66000.00      27.580     -21.830       5.750   5.22 0.071 0.833 0.227 1.495     250.217     300.000       7.742    6 
+    340000       68000.00      34.347     -17.686      16.661   5.31 0.143 0.750 0.261 2.137     311.613     300.000       8.039    6 
+    350000       70000.00      38.752     -22.315      16.437   4.61 0.143 0.750 0.364 1.802     351.579     300.000       7.365    6 
+    360000       72000.00      35.037     -23.566      11.471   4.59 0.071 0.857 0.325 1.260     317.875     300.000       7.587    6 
+    370000       74000.00      55.030     -21.630      33.400   7.20 0.071 0.857 0.357 2.521     499.263     300.000       8.788    6 
+    380000       76000.00      30.485     -29.079       1.406   6.29 0.071 0.900 0.477 1.649     276.573     300.000       8.781    6 
+    390000       78000.00      38.647     -22.937      15.710   5.19 0.143 0.778 0.389 2.161     350.628     300.000       7.406    6 
+    400000       80000.00      32.696     -20.261      12.434   5.43 0.143 0.667 0.386 2.462     296.631     300.000       8.239    6 
+    410000       82000.00      29.130     -15.464      13.667   5.98 0.143 0.778 0.404 2.245     264.287     300.000       7.065    6 
+    420000       84000.00      26.105     -35.190      -9.085   4.85 0.143 0.846 0.392 1.730     236.836     300.000       6.539    6 
+    430000       86000.00      38.966     -30.237       8.729   4.62 0.143 0.833 0.348 2.211     353.516     300.000       6.770    6 
+    440000       88000.00      31.323     -35.315      -3.993   4.64 0.143 0.818 0.326 1.337     284.177     300.000       6.707    6 
+    450000       90000.00      31.661     -18.060      13.601   5.15 0.143 0.667 0.326 1.773     287.243     300.000       7.510    6 
+    460000       92000.00      26.134     -31.710      -5.576   4.67 0.143 0.714 0.344 1.655     237.098     300.000       7.116    6 
+    470000       94000.00      37.642     -28.532       9.110   5.04 0.071 0.750 0.352 3.815     341.509     300.000       7.486    6 
+    480000       96000.00      29.791     -21.524       8.266   5.01 0.143 0.667 0.348 2.081     270.276     300.000       7.672    6 
+    490000       98000.00      32.511     -16.138      16.373   4.34 0.071 0.800 0.400 1.598     294.952     300.000       7.901    6 
+    500000      100000.00      41.164      -9.286      31.878   4.60 0.143 0.750 0.307 2.406     373.460     300.000       6.996    6 
+    510000      102000.00      47.355     -23.812      23.543   5.34 0.143 0.800 0.345 2.324     429.627     300.000       6.904    6 
+    520000      104000.00      36.065     -33.254       2.812   4.80 0.143 0.750 0.403 1.942     327.205     300.000       7.596    6 
+    530000      106000.00      32.696     -30.414       2.282   4.80 0.143 0.833 0.269 1.580     296.631     300.000       7.543    6 
+    540000      108000.00      37.549     -27.466      10.083   5.46 0.143 0.750 0.295 1.368     340.662     300.000       7.655    6 
+    550000      110000.00      30.705     -26.355       4.351   5.02 0.214 0.500 0.273 1.516     278.574     300.000       7.627    6 
+    560000      112000.00      36.696     -33.321       3.375   4.87 0.143 0.714 0.305 1.260     332.922     300.000       6.886    6 
+    570000      114000.00      28.527     -39.472     -10.945   4.58 0.071 0.909 0.434 2.260     258.812     300.000       6.754    6 
+    580000      116000.00      33.433     -37.970      -4.536   4.84 0.143 0.800 0.373 1.718     303.325     300.000       6.644    6 
+    590000      118000.00      30.195     -37.334      -7.139   4.52 0.143 0.800 0.336 1.986     273.944     300.000       6.940    6 
+    600000      120000.00      39.885     -34.910       4.975   4.55 0.214 0.750 0.367 2.883     361.855     300.000       6.895    6 
+    610000      122000.00      42.425     -35.325       7.100   4.60 0.143 0.778 0.313 1.485     384.902     300.000       6.879    6 
+    620000      124000.00      32.345     -22.485       9.860   4.85 0.071 0.833 0.356 1.346     293.454     300.000       7.409    6 
+    630000      126000.00      31.409     -27.681       3.728   3.69 0.357 0.375 0.347 2.333     284.958     300.000       7.586    6 
+    640000      128000.00      27.758     -26.584       1.174   4.23 0.286 0.600 0.382 1.748     251.834     300.000       7.322    6 
+    650000      130000.00      36.910     -39.081      -2.171   5.02 0.571 0.500 0.369 2.477     334.866     300.000       7.186    6 
+    660000      132000.00      34.823     -34.066       0.757   4.88 0.357 0.615 0.350 3.029     315.933     300.000       7.242    6 
+    670000      134000.00      38.744     -39.247      -0.503   5.05 0.143 0.846 0.339 1.490     351.503     300.000       6.736    6 
+    680000      136000.00      30.491     -38.942      -8.450   5.13 0.286 0.692 0.399 2.584     276.631     300.000       6.516    6 
+    690000      138000.00      42.147     -40.014       2.132   4.85 0.500 0.462 0.353 1.588     382.379     300.000       7.134    6 
+    700000      140000.00      36.967     -32.847       4.119   4.97 0.286 0.429 0.240 2.373     335.382     300.000       7.541    6 
+    710000      142000.00      43.586     -23.139      20.447   5.25 0.286 0.667 0.239 0.779     395.435     300.000       6.990    6 
+    720000      144000.00      42.471     -29.154      13.316   4.70 0.357 0.583 0.333 1.766     385.315     300.000       6.914    6 
+    730000      146000.00      35.044     -31.462       3.581   5.35 0.286 0.600 0.295 2.688     317.935     300.000       6.849    6 
+    740000      148000.00      31.500     -40.387      -8.887   4.62 0.143 0.778 0.227 1.137     285.788     300.000       7.250    6 
+    750000      150000.00      42.946     -31.377      11.569   5.95 0.143 0.857 0.289 2.307     389.629     300.000       6.705    6 
+    760000      152000.00      30.563     -30.947      -0.384   4.23 0.214 0.625 0.193 1.008     277.283     300.000       8.054    6 
+    770000      154000.00      36.329     -39.086      -2.757   4.69 0.286 0.692 0.336 1.856     329.597     300.000       6.940    6 
+    780000      156000.00      38.862     -36.228       2.634   4.65 0.214 0.727 0.281 2.216     352.575     300.000       6.880    6 
+    790000      158000.00      34.570     -34.414       0.156   4.96 0.214 0.667 0.237 1.945     313.639     300.000       7.117    6 
+    800000      160000.00      33.370     -38.161      -4.792   4.98 0.214 0.571 0.195 1.582     302.746     300.000       7.272    6 
+    810000      162000.00      31.455     -36.601      -5.146   5.10 0.429 0.500 0.322 1.699     285.379     300.000       7.258    6 
+    820000      164000.00      32.410     -28.884       3.527   5.61 0.286 0.500 0.250 1.684     294.042     300.000       7.016    6 
+    830000      166000.00      36.367     -32.944       3.424   5.62 0.286 0.692 0.252 2.296     329.943     300.000       7.126    6 
+    840000      168000.00      37.371     -24.221      13.150   4.91 0.286 0.692 0.290 2.412     339.047     300.000       6.940    6 
+    850000      170000.00      35.370     -36.654      -1.284   5.33 0.357 0.583 0.269 1.710     320.892     300.000       7.404    6 
+    860000      172000.00      22.520     -32.235      -9.715   5.94 0.286 0.692 0.266 1.312     204.311     300.000       7.198    6 
+    870000      174000.00      36.637     -31.191       5.446   6.06 0.286 0.636 0.269 1.601     332.389     300.000       7.596    6 
+    880000      176000.00      31.078     -38.835      -7.757   5.86 0.286 0.667 0.326 3.751     281.957     300.000       6.861    6 
+    890000      178000.00      31.178     -35.295      -4.117   5.37 0.429 0.647 0.361 1.205     282.859     300.000       6.715    6 
+    900000      180000.00      27.791     -36.125      -8.333   6.56 0.071 0.900 0.345 1.610     252.137     300.000       7.113    6 
+    910000      182000.00      30.946     -24.664       6.282   5.41 0.143 0.667 0.288 1.105     280.758     300.000       7.823    6 
+    920000      184000.00      38.022     -16.312      21.710   5.41 0.214 0.667 0.384 1.822     344.959     300.000       7.046    6 
+    930000      186000.00      27.978     -37.608      -9.630   4.84 0.214 0.727 0.322 1.761     253.829     300.000       7.351    6 
+    940000      188000.00      33.819     -37.966      -4.148   4.45 0.143 0.778 0.414 1.211     306.820     300.000       7.535    6 
+    950000      190000.00      30.547      -9.175      21.373   4.69 0.214 0.727 0.421 1.642     277.143     300.000       7.216    6 
+    960000      192000.00      39.683     -35.544       4.140   3.43 0.143 0.800 0.277 1.935     360.028     300.000       7.465    6 
+    970000      194000.00      34.346     -15.857      18.489   3.29 0.357 0.375 0.295 2.591     311.608     300.000       7.848    6 
+    980000      196000.00      30.889     -22.031       8.858   2.80 0.143 0.800 0.264 1.085     280.237     300.000       7.597    6 
+    990000      198000.00      30.700     -27.128       3.573   3.39 0.571 0.429 0.276 1.206     278.531     300.000       7.217    6 
+   1000000      200000.00      38.231     -32.490       5.741   3.39 0.286 0.636 0.351 1.471     346.851     300.000       7.151    6 
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB007.stat b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB007.stat
index 695cae2..1c015de 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB007.stat
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB007.stat
@@ -1,101 +1,101 @@
-         0           0.00      34.944      21.213      56.157  12.87 0.000   NaN   NaN 0.935     317.030     300.000      15.552    7 
-     10000        2000.00      35.502     -10.885      24.617  12.39 0.000   NaN   NaN 1.453     322.094     300.000      16.304    7 
-     20000        4000.00      38.372     -19.496      18.876  11.77 0.000 1.000 0.136 1.828     348.129     300.000      15.449    7 
-     30000        6000.00      36.935     -13.022      23.913  10.73 0.000   NaN   NaN 1.586     335.095     300.000      15.493    7 
-     40000        8000.00      38.093      -5.390      32.704   5.34 0.000 1.000 0.341 2.068     345.602     300.000       8.438    7 
-     50000       10000.00      21.866     -26.666      -4.800   5.13 0.214 0.786 0.386 1.505     198.376     300.000       6.901    7 
-     60000       12000.00      45.773     -24.828      20.944   3.54 0.214 0.625 0.466 1.638     415.275     300.000       7.173    7 
-     70000       14000.00      23.739     -35.702     -11.963   4.19 0.214 0.667 0.283 1.573     215.370     300.000       7.342    7 
-     80000       16000.00      39.879     -30.493       9.386   4.37 0.286 0.750 0.358 2.331     361.805     300.000       6.248    7 
-     90000       18000.00      35.594     -41.488      -5.894   3.58 0.429 0.571 0.295 3.217     322.929     300.000       6.707    7 
-    100000       20000.00      38.087     -51.702     -13.615   3.03 0.500 0.500 0.305 1.887     345.543     300.000       6.651    7 
-    110000       22000.00      27.840     -36.522      -8.682   3.72 0.286 0.733 0.485 2.212     252.579     300.000       6.751    7 
-    120000       24000.00      37.894     -41.561      -3.666   3.80 0.286 0.636 0.335 2.532     343.795     300.000       6.530    7 
-    130000       26000.00      38.071     -37.487       0.584   2.83 0.500 0.562 0.361 2.428     345.403     300.000       6.717    7 
-    140000       28000.00      43.115     -39.324       3.792   3.80 0.286 0.692 0.451 1.202     391.163     300.000       6.324    7 
-    150000       30000.00      38.155     -48.085      -9.930   3.80 0.429 0.571 0.354 2.504     346.165     300.000       6.970    7 
-    160000       32000.00      30.660     -42.880     -12.220   2.77 0.286 0.750 0.401 2.138     278.160     300.000       6.430    7 
-    170000       34000.00      30.920     -43.076     -12.156   3.40 0.429 0.647 0.353 0.956     280.519     300.000       6.817    7 
-    180000       36000.00      32.044     -45.294     -13.250   3.56 0.286 0.733 0.355 1.110     290.717     300.000       6.509    7 
-    190000       38000.00      31.567     -43.854     -12.287   3.62 0.500 0.632 0.380 1.532     286.394     300.000       6.372    7 
-    200000       40000.00      34.882     -44.529      -9.646   2.55 0.500 0.588 0.374 1.450     316.472     300.000       6.726    7 
-    210000       42000.00      37.112     -35.451       1.662   2.34 0.357 0.667 0.330 1.352     336.702     300.000       6.855    7 
-    220000       44000.00      38.930     -57.511     -18.581   4.04 0.357 0.688 0.398 1.273     353.194     300.000       6.220    7 
-    230000       46000.00      28.386     -42.720     -14.334   4.03 0.357 0.667 0.430 1.902     257.533     300.000       6.285    7 
-    240000       48000.00      41.371     -47.848      -6.477   2.95 0.500 0.533 0.273 1.090     375.337     300.000       6.605    7 
-    250000       50000.00      38.373     -48.521     -10.148   2.97 0.357 0.615 0.311 1.131     348.139     300.000       6.741    7 
-    260000       52000.00      37.991     -47.574      -9.583   2.80 0.357 0.643 0.328 3.425     344.674     300.000       6.822    7 
-    270000       54000.00      31.950     -48.059     -16.109   3.50 0.286 0.600 0.400 1.180     289.863     300.000       6.674    7 
-    280000       56000.00      31.106     -40.574      -9.468   2.12 0.429 0.571 0.315 1.777     282.209     300.000       6.638    7 
-    290000       58000.00      33.674     -49.275     -15.601   2.25 0.429 0.625 0.287 3.024     305.509     300.000       6.483    7 
-    300000       60000.00      41.484     -34.841       6.643   2.82 0.357 0.545 0.252 0.779     376.368     300.000       6.806    7 
-    310000       62000.00      38.823     -41.056      -2.233   2.19 0.357 0.615 0.315 1.480     352.223     300.000       6.504    7 
-    320000       64000.00      31.191     -46.931     -15.740   2.77 0.357 0.643 0.247 1.824     282.979     300.000       6.478    7 
-    330000       66000.00      32.288     -40.408      -8.120   2.67 0.286 0.692 0.241 0.789     292.934     300.000       6.922    7 
-    340000       68000.00      36.549     -45.433      -8.883   1.97 0.214 0.727 0.293 2.781     331.595     300.000       6.734    7 
-    350000       70000.00      34.147     -33.251       0.895   4.08 0.214 0.700 0.177 1.868     309.797     300.000       8.720    7 
-    360000       72000.00      28.528     -45.397     -16.870   5.42 0.286 0.600 0.191 1.094     258.818     300.000       8.113    7 
-    370000       74000.00      31.385     -51.696     -20.310   4.98 0.357 0.750 0.227 1.598     284.744     300.000       6.789    7 
-    380000       76000.00      34.051     -40.211      -6.160   6.56 0.071 0.929 0.292 2.147     308.926     300.000       6.570    7 
-    390000       78000.00      28.247     -48.958     -20.710   5.52 0.214 0.750 0.394 1.749     256.274     300.000       6.797    7 
-    400000       80000.00      34.964     -46.056     -11.092   6.58 0.214 0.727 0.318 1.409     317.214     300.000       6.724    7 
-    410000       82000.00      36.065     -50.389     -14.323   6.88 0.214 0.800 0.312 0.853     327.202     300.000       6.799    7 
-    420000       84000.00      31.728     -41.618      -9.889   6.83 0.286 0.714 0.279 2.385     287.856     300.000       6.832    7 
-    430000       86000.00      33.751     -48.214     -14.463   6.35 0.357 0.688 0.324 1.365     306.206     300.000       6.430    7 
-    440000       88000.00      39.422     -36.782       2.640   5.43 0.143 0.833 0.258 0.898     357.654     300.000       6.820    7 
-    450000       90000.00      26.987     -32.219      -5.233   7.41 0.286 0.556 0.187 1.838     244.837     300.000       7.834    7 
-    460000       92000.00      34.878     -35.371      -0.493   7.31 0.143 0.778 0.197 3.904     316.434     300.000       7.965    7 
-    470000       94000.00      32.380     -39.519      -7.140   7.06 0.143 0.818 0.244 3.492     293.764     300.000       7.483    7 
-    480000       96000.00      33.060     -50.312     -17.252   6.07 0.286 0.692 0.213 1.972     299.934     300.000       7.593    7 
-    490000       98000.00      40.417     -52.423     -12.006   6.06 0.214 0.727 0.198 2.348     366.684     300.000       7.568    7 
-    500000      100000.00      23.618     -33.644     -10.026   5.46 0.214 0.700 0.164 1.211     214.278     300.000       8.062    7 
-    510000      102000.00      35.553     -31.996       3.556   4.46 0.214 0.700 0.223 1.495     322.552     300.000       7.545    7 
-    520000      104000.00      37.147     -31.915       5.232   3.29 0.143 0.800 0.405 2.399     337.020     300.000       6.582    7 
-    530000      106000.00      32.036     -42.320     -10.284   3.15 0.286 0.667 0.424 1.844     290.645     300.000       6.860    7 
-    540000      108000.00      39.688     -45.553      -5.866   3.44 0.429 0.571 0.370 2.092     360.067     300.000       6.358    7 
-    550000      110000.00      40.553     -50.973     -10.420   3.38 0.286 0.778 0.361 2.630     367.917     300.000       6.551    7 
-    560000      112000.00      32.347     -60.813     -28.466   3.16 0.571 0.556 0.386 2.202     293.469     300.000       6.485    7 
-    570000      114000.00      32.667     -45.778     -13.110   2.71 0.571 0.467 0.258 1.301     296.375     300.000       6.651    7 
-    580000      116000.00      31.212     -49.782     -18.570   3.26 0.500 0.500 0.416 2.341     283.170     300.000       6.450    7 
-    590000      118000.00      27.229     -42.717     -15.488   2.82 0.500 0.533 0.385 1.271     247.033     300.000       6.655    7 
-    600000      120000.00      37.130     -46.730      -9.600   3.81 0.571 0.636 0.415 1.232     336.862     300.000       6.310    7 
-    610000      122000.00      28.722     -38.286      -9.563   2.70 0.357 0.615 0.318 3.361     260.583     300.000       6.834    7 
-    620000      124000.00      39.861     -49.383      -9.522   3.58 0.429 0.625 0.369 1.838     361.637     300.000       6.722    7 
-    630000      126000.00      33.648     -42.482      -8.835   2.29 0.357 0.583 0.277 2.293     305.270     300.000       7.110    7 
-    640000      128000.00      50.789     -32.621      18.167   2.60 0.429 0.455 0.269 1.496     460.780     300.000       7.794    7 
-    650000      130000.00      38.530     -55.240     -16.710   4.22 0.286 0.714 0.305 1.290     349.561     300.000       6.974    7 
-    660000      132000.00      32.946     -33.458      -0.511   2.50 0.500 0.462 0.234 3.095     298.905     300.000       7.019    7 
-    670000      134000.00      31.633     -37.549      -5.915   2.77 0.357 0.615 0.266 1.114     286.993     300.000       6.938    7 
-    680000      136000.00      33.589     -47.230     -13.641   3.68 0.357 0.773 0.310 2.140     304.733     300.000       6.370    7 
-    690000      138000.00      33.384     -41.027      -7.643   3.49 0.357 0.615 0.441 1.269     302.874     300.000       6.642    7 
-    700000      140000.00      42.921     -49.855      -6.934   4.04 0.357 0.706 0.441 2.695     389.401     300.000       6.232    7 
-    710000      142000.00      40.780     -47.060      -6.280   2.97 0.429 0.400 0.314 1.389     369.973     300.000       6.701    7 
-    720000      144000.00      36.157     -41.888      -5.731   3.08 0.357 0.643 0.347 2.040     328.036     300.000       6.710    7 
-    730000      146000.00      45.324     -44.568       0.757   3.67 0.357 0.667 0.352 1.055     411.207     300.000       6.428    7 
-    740000      148000.00      38.369     -43.220      -4.851   3.38 0.429 0.538 0.378 1.696     348.106     300.000       6.951    7 
-    750000      150000.00      33.443     -41.464      -8.021   3.93 0.357 0.688 0.335 1.591     303.413     300.000       7.182    7 
-    760000      152000.00      34.233     -41.764      -7.531   3.88 0.286 0.600 0.186 3.495     310.581     300.000       7.768    7 
-    770000      154000.00      30.368     -46.825     -16.457   4.07 0.429 0.625 0.361 3.204     275.514     300.000       6.517    7 
-    780000      156000.00      23.554     -39.486     -15.932   2.91 0.214 0.625 0.409 2.020     213.690     300.000       6.878    7 
-    790000      158000.00      41.908     -56.078     -14.170   3.69 0.286 0.733 0.388 1.601     380.213     300.000       6.257    7 
-    800000      160000.00      39.579     -40.554      -0.975   2.59 0.643 0.471 0.380 1.191     359.079     300.000       6.852    7 
-    810000      162000.00      30.928     -51.096     -20.168   3.32 0.571 0.529 0.380 2.471     280.591     300.000       6.297    7 
-    820000      164000.00      32.544     -39.716      -7.172   3.40 0.357 0.688 0.372 1.715     295.257     300.000       6.606    7 
-    830000      166000.00      40.036     -54.095     -14.059   4.08 0.357 0.667 0.397 1.572     363.230     300.000       6.334    7 
-    840000      168000.00      33.990     -36.920      -2.930   2.85 0.500 0.364 0.335 1.938     308.376     300.000       6.765    7 
-    850000      170000.00      32.323     -42.052      -9.730   3.38 0.429 0.625 0.409 3.222     293.248     300.000       6.691    7 
-    860000      172000.00      38.482     -38.232       0.251   4.08 0.357 0.643 0.438 1.285     349.129     300.000       7.044    7 
-    870000      174000.00      25.540     -53.868     -28.328   3.68 0.286 0.692 0.395 2.748     231.709     300.000       6.529    7 
-    880000      176000.00      32.148     -33.979      -1.831   4.22 0.286 0.778 0.407 1.930     291.668     300.000       6.734    7 
-    890000      178000.00      35.465     -32.310       3.155   3.81 0.214 0.769 0.262 2.088     321.761     300.000       6.550    7 
-    900000      180000.00      42.643     -52.398      -9.756   4.31 0.357 0.722 0.417 1.883     386.875     300.000       6.495    7 
-    910000      182000.00      39.255     -43.774      -4.519   3.43 0.214 0.750 0.337 0.959     356.140     300.000       6.702    7 
-    920000      184000.00      32.739     -43.505     -10.766   4.51 0.357 0.667 0.406 1.920     297.024     300.000       6.677    7 
-    930000      186000.00      31.142     -47.254     -16.112   3.58 0.429 0.625 0.412 1.066     282.532     300.000       6.549    7 
-    940000      188000.00      32.066     -43.785     -11.719   3.07 0.357 0.706 0.350 1.284     290.916     300.000       6.588    7 
-    950000      190000.00      30.914     -46.349     -15.435   2.59 0.500 0.500 0.409 3.474     280.468     300.000       6.637    7 
-    960000      192000.00      37.803     -50.298     -12.495   3.29 0.500 0.533 0.342 2.213     342.971     300.000       6.538    7 
-    970000      194000.00      27.041     -43.095     -16.054   3.12 0.357 0.583 0.216 1.830     245.327     300.000       7.474    7 
-    980000      196000.00      34.807     -47.059     -12.252   2.23 0.429 0.571 0.244 2.104     315.791     300.000       6.992    7 
-    990000      198000.00      38.415     -30.011       8.404   3.19 0.214 0.667 0.247 2.403     348.521     300.000       6.948    7 
-   1000000      200000.00      40.605     -44.769      -4.164   3.07 0.357 0.643 0.256 1.927     368.391     300.000       6.556    7 
+         0           0.00      37.313      24.828      62.141  12.87 0.000   NaN   NaN 0.708     338.523     300.000      15.552    7 
+     10000        2000.00      36.595      -9.045      27.550  11.43 0.000 1.000 0.273 1.121     332.011     300.000      14.646    7 
+     20000        4000.00      29.854     -14.184      15.670   8.83 0.071 0.500 0.205 1.526     270.855     300.000      13.046    7 
+     30000        6000.00      35.989     -18.076      17.912   7.15 0.000 1.000 0.295 1.989     326.506     300.000      10.731    7 
+     40000        8000.00      30.855     -11.504      19.352   8.40 0.000 1.000 0.295 2.240     279.934     300.000      11.069    7 
+     50000       10000.00      31.375      -7.367      24.008   9.16 0.000 1.000 0.261 1.473     284.653     300.000      11.065    7 
+     60000       12000.00      36.151     -11.575      24.576   8.42 0.000 1.000 0.250 2.147     327.978     300.000      11.516    7 
+     70000       14000.00      42.864      -4.649      38.216   8.94 0.000 1.000 0.273 2.341     388.886     300.000      13.380    7 
+     80000       16000.00      40.396      -3.553      36.843   8.28 0.143 0.600 0.264 1.114     366.497     300.000      11.507    7 
+     90000       18000.00      32.313      -5.228      27.085   9.53 0.000   NaN   NaN 1.295     293.162     300.000      14.157    7 
+    100000       20000.00      38.510       2.147      40.657  10.38 0.000   NaN   NaN 1.878     349.384     300.000      14.455    7 
+    110000       22000.00      39.596     -14.403      25.193   7.74 0.000 1.000 0.250 1.039     359.237     300.000      12.142    7 
+    120000       24000.00      33.970     -14.272      19.698   5.89 0.000 1.000 0.250 2.821     308.192     300.000      10.237    7 
+    130000       26000.00      33.269     -14.942      18.328   5.79 0.071 0.875 0.511 2.632     301.838     300.000       7.705    7 
+    140000       28000.00      44.846     -18.669      26.177   6.25 0.071 0.875 0.381 2.556     406.866     300.000       7.709    7 
+    150000       30000.00      38.261     -17.379      20.883   5.98 0.143 0.714 0.403 1.041     347.127     300.000       7.321    7 
+    160000       32000.00      34.579     -22.966      11.613   5.72 0.143 0.778 0.384 1.621     313.716     300.000       7.552    7 
+    170000       34000.00      34.380     -18.074      16.306   4.99 0.071 0.900 0.441 1.600     311.910     300.000       7.371    7 
+    180000       36000.00      38.854     -10.971      27.883   5.54 0.071 0.917 0.394 1.970     352.502     300.000       7.071    7 
+    190000       38000.00      37.186     -22.945      14.241   6.03 0.071 0.889 0.323 1.651     337.374     300.000       7.716    7 
+    200000       40000.00      36.492     -26.804       9.688   5.39 0.071 0.833 0.242 1.324     331.078     300.000       8.414    7 
+    210000       42000.00      31.762     -40.240      -8.478   4.66 0.214 0.727 0.335 0.719     288.158     300.000       7.206    7 
+    220000       44000.00      29.823     -44.258     -14.435   4.75 0.143 0.846 0.399 1.238     270.569     300.000       6.504    7 
+    230000       46000.00      34.955     -38.632      -3.676   4.77 0.286 0.600 0.377 1.886     317.133     300.000       7.119    7 
+    240000       48000.00      31.511     -30.627       0.883   5.34 0.286 0.667 0.390 1.370     285.881     300.000       7.199    7 
+    250000       50000.00      33.722     -36.420      -2.698   5.33 0.214 0.727 0.244 1.211     305.947     300.000       6.969    7 
+    260000       52000.00      35.469     -26.249       9.220   5.94 0.143 0.875 0.330 1.724     321.796     300.000       6.854    7 
+    270000       54000.00      30.380     -28.163       2.217   5.80 0.143 0.857 0.377 1.691     275.622     300.000       7.154    7 
+    280000       56000.00      32.917     -34.515      -1.597   5.45 0.214 0.750 0.292 1.070     298.642     300.000       7.000    7 
+    290000       58000.00      47.967     -31.769      16.198   5.84 0.214 0.727 0.380 1.251     435.183     300.000       6.974    7 
+    300000       60000.00      23.790     -30.714      -6.924   5.95 0.286 0.636 0.277 1.391     215.833     300.000       6.879    7 
+    310000       62000.00      36.762     -23.983      12.779   5.55 0.071 0.875 0.244 2.428     333.528     300.000       7.153    7 
+    320000       64000.00      35.704     -35.010       0.694   6.14 0.214 0.812 0.332 0.986     323.922     300.000       6.541    7 
+    330000       66000.00      34.164     -33.123       1.041   5.58 0.214 0.812 0.287 2.237     309.953     300.000       6.820    7 
+    340000       68000.00      39.417     -29.290      10.127   5.55 0.143 0.818 0.322 1.427     357.614     300.000       7.155    7 
+    350000       70000.00      33.245     -27.055       6.191   5.72 0.143 0.750 0.307 1.254     301.617     300.000       7.346    7 
+    360000       72000.00      34.173     -33.486       0.687   5.41 0.357 0.667 0.300 2.292     310.034     300.000       6.628    7 
+    370000       74000.00      41.593     -37.070       4.522   5.23 0.357 0.688 0.349 2.811     377.349     300.000       6.353    7 
+    380000       76000.00      29.132     -40.549     -11.417   5.11 0.143 0.818 0.289 1.061     264.303     300.000       7.035    7 
+    390000       78000.00      51.953     -26.367      25.586   5.22 0.357 0.615 0.343 2.512     471.342     300.000       6.743    7 
+    400000       80000.00      30.180     -33.110      -2.930   5.68 0.286 0.636 0.335 1.218     273.812     300.000       6.948    7 
+    410000       82000.00      30.852     -34.585      -3.732   5.87 0.143 0.833 0.303 2.108     279.907     300.000       6.728    7 
+    420000       84000.00      38.680     -39.539      -0.859   5.79 0.143 0.778 0.323 0.991     350.928     300.000       7.018    7 
+    430000       86000.00      36.741     -34.653       2.088   5.38 0.500 0.462 0.294 1.679     333.330     300.000       7.185    7 
+    440000       88000.00      34.997     -29.970       5.027   5.32 0.286 0.556 0.247 1.790     317.507     300.000       7.137    7 
+    450000       90000.00      37.579     -43.167      -5.588   5.54 0.214 0.700 0.250 2.398     340.936     300.000       7.247    7 
+    460000       92000.00      30.486     -33.950      -3.464   5.69 0.357 0.688 0.253 1.679     276.584     300.000       6.932    7 
+    470000       94000.00      31.927     -19.008      12.919   4.46 0.214 0.750 0.367 1.269     289.655     300.000       6.759    7 
+    480000       96000.00      36.501     -34.452       2.049   4.62 0.286 0.556 0.303 1.903     331.159     300.000       7.536    7 
+    490000       98000.00      32.365     -33.787      -1.422   5.13 0.214 0.727 0.306 1.945     293.634     300.000       7.017    7 
+    500000      100000.00      40.459     -37.873       2.586   4.30 0.071 0.833 0.220 1.021     367.064     300.000       7.672    7 
+    510000      102000.00      32.604     -42.977     -10.373   4.65 0.214 0.700 0.345 2.176     295.800     300.000       7.318    7 
+    520000      104000.00      34.934     -36.612      -1.678   4.73 0.214 0.750 0.364 2.176     316.939     300.000       7.160    7 
+    530000      106000.00      27.586     -30.766      -3.180   4.08 0.286 0.636 0.285 2.737     250.270     300.000       7.878    7 
+    540000      108000.00      34.241     -39.968      -5.727   6.84 0.143 0.778 0.288 3.218     310.654     300.000       6.932    7 
+    550000      110000.00      41.096     -35.078       6.018   5.76 0.286 0.733 0.382 2.114     372.844     300.000       6.810    7 
+    560000      112000.00      43.381     -26.073      17.308   6.14 0.286 0.733 0.303 2.593     393.573     300.000       6.688    7 
+    570000      114000.00      36.784     -30.767       6.017   5.69 0.214 0.700 0.355 1.244     333.725     300.000       6.684    7 
+    580000      116000.00      39.197     -24.715      14.483   6.81 0.214 0.727 0.360 2.212     355.619     300.000       6.941    7 
+    590000      118000.00      31.393     -35.262      -3.869   5.47 0.357 0.643 0.308 1.050     284.816     300.000       6.715    7 
+    600000      120000.00      28.959     -35.801      -6.842   4.23 0.214 0.625 0.307 2.300     262.729     300.000       7.156    7 
+    610000      122000.00      35.841     -26.245       9.596   4.60 0.214 0.625 0.244 1.536     325.172     300.000       6.873    7 
+    620000      124000.00      36.552     -28.866       7.685   5.73 0.143 0.750 0.284 1.921     331.615     300.000       7.220    7 
+    630000      126000.00      31.489     -15.729      15.760   5.38 0.286 0.333 0.197 1.452     285.681     300.000       7.574    7 
+    640000      128000.00      29.130     -35.887      -6.757   6.28 0.357 0.545 0.244 2.370     264.286     300.000       6.995    7 
+    650000      130000.00      35.045     -34.910       0.135   4.31 0.286 0.636 0.244 1.536     317.950     300.000       7.207    7 
+    660000      132000.00      30.840     -36.994      -6.154   4.89 0.143 0.714 0.318 1.745     279.800     300.000       7.275    7 
+    670000      134000.00      38.165     -34.154       4.011   6.19 0.071 0.875 0.301 1.893     346.252     300.000       7.179    7 
+    680000      136000.00      30.689     -30.031       0.658   4.55 0.429 0.500 0.212 3.209     278.423     300.000       7.641    7 
+    690000      138000.00      28.383     -25.654       2.729   4.41 0.214 0.700 0.268 1.666     257.504     300.000       7.402    7 
+    700000      140000.00      33.238     -30.143       3.095   4.02 0.214 0.400 0.173 1.351     301.548     300.000       8.110    7 
+    710000      142000.00      27.422     -37.968     -10.546   5.25 0.143 0.778 0.253 0.736     248.791     300.000       8.158    7 
+    720000      144000.00      29.404     -31.937      -2.532   5.43 0.286 0.714 0.315 1.948     266.772     300.000       7.015    7 
+    730000      146000.00      34.635     -36.790      -2.155   5.00 0.143 0.800 0.250 2.478     314.224     300.000       7.220    7 
+    740000      148000.00      38.714     -29.606       9.108   5.34 0.214 0.786 0.396 0.864     351.232     300.000       7.173    7 
+    750000      150000.00      35.433     -32.394       3.039   5.36 0.429 0.600 0.273 0.992     321.467     300.000       6.604    7 
+    760000      152000.00      38.297     -32.516       5.782   5.33 0.214 0.667 0.298 2.504     347.452     300.000       7.059    7 
+    770000      154000.00      31.239     -29.589       1.649   5.34 0.357 0.583 0.333 3.242     283.415     300.000       6.969    7 
+    780000      156000.00      32.914     -32.829       0.085   4.75 0.286 0.556 0.298 2.492     298.617     300.000       7.197    7 
+    790000      158000.00      39.020     -36.727       2.293   5.11 0.214 0.750 0.269 1.207     354.011     300.000       7.262    7 
+    800000      160000.00      41.409     -37.587       3.822   5.12 0.143 0.818 0.347 1.231     375.688     300.000       7.167    7 
+    810000      162000.00      36.828     -26.032      10.796   4.90 0.214 0.727 0.347 1.158     334.123     300.000       7.342    7 
+    820000      164000.00      33.804     -34.519      -0.716   5.18 0.143 0.667 0.326 1.331     306.683     300.000       7.617    7 
+    830000      166000.00      40.658     -32.200       8.458   4.91 0.143 0.714 0.325 1.482     368.872     300.000       7.328    7 
+    840000      168000.00      32.479     -33.164      -0.685   5.11 0.143 0.750 0.352 0.706     294.669     300.000       6.534    7 
+    850000      170000.00      30.574     -28.568       2.006   4.77 0.143 0.750 0.216 1.583     277.384     300.000       8.258    7 
+    860000      172000.00      31.873     -31.411       0.462   4.00 0.000 1.000 0.510 1.172     289.167     300.000       7.702    7 
+    870000      174000.00      35.901     -41.953      -6.052   4.66 0.286 0.733 0.355 1.072     325.710     300.000       6.868    7 
+    880000      176000.00      30.302     -34.498      -4.196   3.94 0.286 0.714 0.299 1.773     274.917     300.000       7.328    7 
+    890000      178000.00      30.566     -34.051      -3.485   3.34 0.500 0.500 0.305 1.782     277.311     300.000       6.774    7 
+    900000      180000.00      29.205     -32.704      -3.498   4.02 0.214 0.625 0.347 2.468     264.966     300.000       6.858    7 
+    910000      182000.00      35.980     -24.113      11.867   4.30 0.143 0.800 0.309 4.014     326.432     300.000       6.607    7 
+    920000      184000.00      36.006     -38.315      -2.308   4.26 0.357 0.615 0.458 1.536     326.668     300.000       6.398    7 
+    930000      186000.00      29.103     -41.648     -12.545   4.26 0.286 0.714 0.390 1.901     264.035     300.000       6.443    7 
+    940000      188000.00      35.256     -28.815       6.441   3.83 0.286 0.500 0.358 1.603     319.856     300.000       6.819    7 
+    950000      190000.00      33.319     -27.123       6.196   3.70 0.429 0.600 0.385 1.701     302.287     300.000       6.609    7 
+    960000      192000.00      39.775     -24.031      15.744   4.33 0.357 0.667 0.333 2.969     360.855     300.000       6.624    7 
+    970000      194000.00      38.146     -38.052       0.094   3.84 0.357 0.615 0.448 1.277     346.078     300.000       6.544    7 
+    980000      196000.00      30.619     -32.743      -2.125   4.24 0.143 0.778 0.283 1.446     277.787     300.000       6.674    7 
+    990000      198000.00      41.252     -35.256       5.996   3.34 0.143 0.778 0.404 1.704     374.260     300.000       7.618    7 
+   1000000      200000.00      30.837     -43.290     -12.453   3.87 0.143 0.867 0.318 1.431     279.769     300.000       7.312    7 
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD000.cx b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD000.cx
index a67579da18fe2551062e284785279d2649faf950..0514d6ae4d2662c58e707cfd5a51bee5233a3776 100644
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD001.cx b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD001.cx
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD003.cx b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD003.cx
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD004.cx b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD004.cx
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD005.cx b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD005.cx
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD007.cx b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD007.cx
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diff --git a/examples/unres/new/MD/Langevin/ff_gab/fort.2 b/examples/unres/new/MD/Langevin/ff_gab/fort.2
index d281a5a..694ce93 100644
--- a/examples/unres/new/MD/Langevin/ff_gab/fort.2
+++ b/examples/unres/new/MD/Langevin/ff_gab/fort.2
@@ -1,13 +1,7399 @@
 ====================MD calculation start====================
+ acceleration/energy drift too large   4.42946403205639     
+   19.0159959185495       split increased to            2  itime         414 
+  itsplit           1
+ acceleration/energy drift too large   4.56204741613333     
+   11.0387276761167       split increased to            2  itime        1338 
+  itsplit           1
+ acceleration/energy drift too large   5.79148033225988     
+   11.7786131839674       split increased to            2  itime        1706 
+  itsplit           1
+ acceleration/energy drift too large   2.44615531534254     
+   15.8358218640382       split increased to            2  itime        2040 
+  itsplit           1
+ acceleration/energy drift too large   4.46001744072067     
+   12.6800727856665       split increased to            2  itime        2051 
+  itsplit           1
+ acceleration/energy drift too large   3.87009614554561     
+   12.9086824036765       split increased to            2  itime        2075 
+  itsplit           1
+ acceleration/energy drift too large   3.34512379858351     
+   10.3652869858760       split increased to            2  itime        2538 
+  itsplit           1
+ acceleration/energy drift too large   2.32692539490024     
+   14.0761479697302       split increased to            2  itime        2793 
+  itsplit           1
+ acceleration/energy drift too large   4.80782455688606     
+   22.6071206682562       split increased to            2  itime        3474 
+  itsplit           1
+ acceleration/energy drift too large   4.07788014859026     
+   10.9869918654286       split increased to            2  itime        3534 
+  itsplit           1
+ acceleration/energy drift too large   4.38723235634867     
+   11.0211203782466       split increased to            2  itime        3595 
+  itsplit           1
+ acceleration/energy drift too large   3.42290853987128     
+   10.1506296823442       split increased to            2  itime        3996 
+  itsplit           1
+ acceleration/energy drift too large   4.59653483917123     
+   26.3591892514498       split increased to            2  itime        4202 
+  itsplit           1
+ acceleration/energy drift too large   5.07909282740634     
+   13.7047687618885       split increased to            2  itime        4517 
+  itsplit           1
+ acceleration/energy drift too large   7.25694992619506     
+   18.9508421994266       split increased to            2  itime        5679 
+  itsplit           1
+ acceleration/energy drift too large   4.26769131497632     
+   19.9627375197873       split increased to            2  itime        6789 
+  itsplit           1
+ acceleration/energy drift too large   13.5355727496654     
+   60.6902106348383       split increased to            2  itime        7021 
+  itsplit           1
+ acceleration/energy drift too large   4.34435516414396     
+   12.0140552556912       split increased to            2  itime        7034 
+  itsplit           1
+ acceleration/energy drift too large   5.16149616957566     
+   15.5297180730937       split increased to            2  itime        7315 
+  itsplit           1
+ acceleration/energy drift too large   5.53447344998510     
+   12.3734702912447       split increased to            2  itime        7916 
+  itsplit           1
+ acceleration/energy drift too large   4.12356753823195     
+   11.1693336510532       split increased to            2  itime        8389 
+  itsplit           1
+ acceleration/energy drift too large   4.70434749111342     
+   21.6594931587906       split increased to            2  itime       10028 
+  itsplit           1
+ acceleration/energy drift too large   5.34975970614591     
+   16.1469173743451       split increased to            2  itime       10141 
+  itsplit           1
+ acceleration/energy drift too large   5.86381170373686     
+   20.4235777875546       split increased to            2  itime       10536 
+  itsplit           1
+ acceleration/energy drift too large   6.89784407211345     
+   27.1853459578646       split increased to            2  itime       10607 
+  itsplit           1
+ acceleration/energy drift too large   6.66042080989831     
+   17.0891957146393       split increased to            2  itime       10805 
+  itsplit           1
+ acceleration/energy drift too large   5.44706213444098     
+   37.2997193470655       split increased to            2  itime       11819 
+  itsplit           1
+ acceleration/energy drift too large   3.39319203325259     
+   24.0938419337638       split increased to            2  itime       12576 
+  itsplit           1
+ acceleration/energy drift too large   2.29979964228123     
+   13.7923418965375       split increased to            2  itime       15228 
+  itsplit           1
+ acceleration/energy drift too large   3.17180344299723     
+   10.0666105858783       split increased to            2  itime       16283 
+  itsplit           1
+ acceleration/energy drift too large   4.47414841096554     
+   20.1421957523073       split increased to            2  itime       18408 
+  itsplit           1
+ acceleration/energy drift too large   3.71478859499183     
+   16.4453471311778       split increased to            2  itime       18409 
+  itsplit           1
+ acceleration/energy drift too large   4.36358711300889     
+   10.5149325895103       split increased to            2  itime       18411 
+  itsplit           1
+ acceleration/energy drift too large   3.53986429405787     
+   10.9094887300612       split increased to            2  itime       18545 
+  itsplit           1
+ acceleration/energy drift too large   4.23624226541407     
+   10.1051675092139       split increased to            2  itime       18568 
+  itsplit           1
+ acceleration/energy drift too large   2.88497612820227     
+   10.0863609603531       split increased to            2  itime       18569 
+  itsplit           1
+ acceleration/energy drift too large   4.59237584521022     
+   15.1811226193626       split increased to            2  itime       18607 
+  itsplit           1
+ acceleration/energy drift too large   6.30986732669732     
+   26.4761383369633       split increased to            2  itime       19181 
+  itsplit           1
+ acceleration/energy drift too large   6.17875475943113     
+   38.6764707695495       split increased to            2  itime       19575 
+  itsplit           1
+ acceleration/energy drift too large   2.97295535395818     
+   12.0592369102293       split increased to            2  itime       19599 
+  itsplit           1
+ acceleration/energy drift too large   4.04630272675639     
+   11.3711076365354       split increased to            2  itime       21162 
+  itsplit           1
+ acceleration/energy drift too large   4.85869597303205     
+   15.5777078703712       split increased to            2  itime       21216 
+  itsplit           1
+ acceleration/energy drift too large   6.85358084122478     
+   25.2632439183845       split increased to            2  itime       21242 
+  itsplit           1
+ acceleration/energy drift too large   6.33063823418115     
+   14.4812520190817       split increased to            2  itime       22597 
+  itsplit           1
+ acceleration/energy drift too large   4.80976361763729     
+   18.1752022483907       split increased to            2  itime       22712 
+  itsplit           1
+ acceleration/energy drift too large   6.17221771539961     
+   20.6513838389858       split increased to            2  itime       24220 
+  itsplit           1
+ acceleration/energy drift too large   2.96422953037688     
+   10.3532315766659       split increased to            2  itime       24250 
+  itsplit           1
+ acceleration/energy drift too large   7.05932709579341     
+   23.7184246352647       split increased to            2  itime       24831 
+  itsplit           1
+ acceleration/energy drift too large   5.67851391860701     
+   13.9674639636564       split increased to            2  itime       27306 
+  itsplit           1
+ acceleration/energy drift too large   11.5307043587422     
+   74.2705533336642       split increased to            2  itime       27379 
+  itsplit           1
+ acceleration/energy drift too large   2.11992237534373     
+   10.2827134901015       split increased to            4  itime       27379 
+  itsplit           2
+ acceleration/energy drift too large   4.48852801825560     
+   24.2954690066836       split increased to            2  itime       27655 
+  itsplit           1
+ acceleration/energy drift too large   3.87450970015322     
+   10.9130244013804       split increased to            2  itime       27661 
+  itsplit           1
+ acceleration/energy drift too large   6.40696610930957     
+   14.8240196700001       split increased to            2  itime       28047 
+  itsplit           1
+ acceleration/energy drift too large   7.98891979711503     
+   23.5654821218523       split increased to            2  itime       28647 
+  itsplit           1
+ acceleration/energy drift too large   5.56791198392459     
+   11.4105972816688       split increased to            2  itime       29281 
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+ acceleration/energy drift too large   2.93220062294083     
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+ acceleration/energy drift too large   11.1949428008422     
+   60.2675056164884       split increased to            2  itime      999030 
+  itsplit           1
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.19180E+02
+                  MD calculations setup:    4.68750E-02
+           Energy & gradient evaluation:    3.81281E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.73914E+02
+                               MD steps:    4.59309E+02
+
+
+============================  End of MD calculation  ===========================
+      906630 
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+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    5.07812E-02
+           Energy & gradient evaluation:    3.78371E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.56746E+02
+
+
+============================  End of MD calculation  ===========================
+      919423 
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+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    5.46875E-02
+           Energy & gradient evaluation:    3.81312E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.61523E+02
+
+
+============================  End of MD calculation  ===========================
+      994243 
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+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    5.07812E-02
+           Energy & gradient evaluation:    3.81070E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.60305E+02
+
+
+============================  End of MD calculation  ===========================
+      959640 
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+ acceleration/energy drift too large   5.95048860707461     
+   22.5548181424639       split increased to            2  itime      994819 
+  itsplit           1
+ acceleration/energy drift too large   4.04781913224046     
+   10.3928460020290       split increased to            2  itime      994879 
+  itsplit           1
+ acceleration/energy drift too large   15.4576134267611     
+   84.8979699554765       split increased to            2  itime      994868 
+  itsplit           1
+ acceleration/energy drift too large   3.95031118248825     
+   17.9028380108018       split increased to            2  itime      995722 
+  itsplit           1
+ acceleration/energy drift too large   6.29030528629601     
+   20.6469888474423       split increased to            2  itime      997373 
+  itsplit           1
+ acceleration/energy drift too large   5.24732967593016     
+   13.9915631089912       split increased to            2  itime      999014 
+  itsplit           1
+ acceleration/energy drift too large   12.0330770531389     
+   82.4469407692470       split increased to            2  itime      999141 
+  itsplit           1
+ acceleration/energy drift too large   4.22983585447048     
+   16.1986006882868       split increased to            2  itime      999550 
+  itsplit           1
+ acceleration/energy drift too large   3.47626902987554     
+   14.9041922379515       split increased to            2  itime      999722 
+  itsplit           1
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    5.07812E-02
+           Energy & gradient evaluation:    3.76781E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.55750E+02
+
+
+============================  End of MD calculation  ===========================
+      998562 
+  itsplit           1
+ acceleration/energy drift too large   2.87157630636126     
+   10.8299349420648       split increased to            2  itime      998747 
+  itsplit           1
+ acceleration/energy drift too large   3.53918051983384     
+   11.9808761787180       split increased to            2  itime      998821 
+  itsplit           1
+ acceleration/energy drift too large   5.02875767513497     
+   14.0314404818564       split increased to            2  itime      998837 
+  itsplit           1
+ acceleration/energy drift too large   3.93689197151675     
+   13.2576366691304       split increased to            2  itime      999190 
+  itsplit           1
+ acceleration/energy drift too large   5.42158808920752     
+   37.5567740607870       split increased to            2  itime      999529 
+  itsplit           1
+ acceleration/energy drift too large   4.43082338200882     
+   15.6708837883572       split increased to            2  itime      999960 
+  itsplit           1
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    5.07812E-02
+           Energy & gradient evaluation:    3.75883E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.56074E+02
+
+
+============================  End of MD calculation  ===========================
+      956916 
+  itsplit           1
+ acceleration/energy drift too large   2.86362903201897     
+   10.6939090924120       split increased to            2  itime      957975 
+  itsplit           1
+ acceleration/energy drift too large   4.66932145946162     
+   12.5376422430858       split increased to            2  itime      958162 
+  itsplit           1
+ acceleration/energy drift too large   2.92736353916507     
+   10.7699260584562       split increased to            2  itime      958566 
+  itsplit           1
+ acceleration/energy drift too large   8.01977367835856     
+   32.4723438416439       split increased to            2  itime      959153 
+  itsplit           1
+ acceleration/energy drift too large   2.59725290615866     
+   10.3629303600699       split increased to            2  itime      959189 
+  itsplit           1
+ acceleration/energy drift too large   3.17733636490322     
+   10.4515728091229       split increased to            2  itime      959225 
+  itsplit           1
+ acceleration/energy drift too large   2.99646953238259     
+   11.8651775321553       split increased to            2  itime      959288 
+  itsplit           1
+ acceleration/energy drift too large   5.57177888132692     
+   10.3318154405029       split increased to            2  itime      959447 
+  itsplit           1
+ acceleration/energy drift too large   12.9679500102387     
+   80.1819914262546       split increased to            2  itime      959827 
+  itsplit           1
+ acceleration/energy drift too large   2.29764695345347     
+   10.3769538100085       split increased to            4  itime      959827 
+  itsplit           2
+ acceleration/energy drift too large   3.20234271291907     
+   11.0737813299324       split increased to            2  itime      960376 
+  itsplit           1
+ acceleration/energy drift too large   3.08517306885769     
+   10.4161470928043       split increased to            2  itime      960381 
+  itsplit           1
+ acceleration/energy drift too large   9.70544628805943     
+   43.9136274999623       split increased to            2  itime      960984 
+  itsplit           1
+ acceleration/energy drift too large   2.43940482057319     
+   10.9678461730903       split increased to            4  itime      960984 
+  itsplit           2
+ acceleration/energy drift too large   7.60205644966121     
+   29.7003788458090       split increased to            2  itime      961051 
+  itsplit           1
+ acceleration/energy drift too large   5.59378442975050     
+   13.1356968218936       split increased to            2  itime      963121 
+  itsplit           1
+ acceleration/energy drift too large   3.26033079851309     
+   15.1562864138120       split increased to            2  itime      963528 
+  itsplit           1
+ acceleration/energy drift too large   4.81811706659116     
+   10.5553926771396       split increased to            2  itime      965431 
+  itsplit           1
+ acceleration/energy drift too large   4.98230350532836     
+   23.0034109299511       split increased to            2  itime      969749 
+  itsplit           1
+ acceleration/energy drift too large   3.70577873270190     
+   11.2154665935401       split increased to            2  itime      970323 
+  itsplit           1
+ acceleration/energy drift too large   7.88937828467315     
+   21.1452246688461       split increased to            2  itime      970663 
+  itsplit           1
+ acceleration/energy drift too large   5.36548358272166     
+   30.8377642368903       split increased to            2  itime      970817 
+  itsplit           1
+ acceleration/energy drift too large   6.71293359048081     
+   17.9512593607780       split increased to            2  itime      971604 
+  itsplit           1
+ acceleration/energy drift too large   6.05219648542325     
+   11.0415339176788       split increased to            2  itime      971848 
+  itsplit           1
+ acceleration/energy drift too large   5.84980886738906     
+   27.3352759729975       split increased to            2  itime      972739 
+  itsplit           1
+ acceleration/energy drift too large   6.86090176381929     
+   15.7450492619094       split increased to            2  itime      974079 
+  itsplit           1
+ acceleration/energy drift too large   2.87438205796460     
+   10.5784102835516       split increased to            2  itime      975051 
+  itsplit           1
+ acceleration/energy drift too large   10.2010736017697     
+   45.9274170308048       split increased to            2  itime      975568 
+  itsplit           1
+ acceleration/energy drift too large   4.57669509929681     
+   21.3282806300795       split increased to            2  itime      977163 
+  itsplit           1
+ acceleration/energy drift too large   5.52649684182087     
+   26.7161275741307       split increased to            2  itime      977283 
+  itsplit           1
+ acceleration/energy drift too large   4.74876394624993     
+   26.7933705326162       split increased to            2  itime      977306 
+  itsplit           1
+ acceleration/energy drift too large   3.52194218123651     
+   25.2493392755734       split increased to            2  itime      977399 
+  itsplit           1
+ acceleration/energy drift too large   5.87909154223836     
+   16.4039994588199       split increased to            2  itime      979266 
+  itsplit           1
+ acceleration/energy drift too large   2.37788564119318     
+   10.6738893052853       split increased to            2  itime      979565 
+  itsplit           1
+ acceleration/energy drift too large   3.39981546040210     
+   14.0221639805182       split increased to            2  itime      979635 
+  itsplit           1
+ acceleration/energy drift too large   5.41564404185296     
+   11.3238359465214       split increased to            2  itime      979660 
+  itsplit           1
+ acceleration/energy drift too large   3.47486260364282     
+   14.6995555925302       split increased to            2  itime      980540 
+  itsplit           1
+ acceleration/energy drift too large   6.04403625674689     
+   13.5119103795910       split increased to            2  itime      981090 
+  itsplit           1
+ acceleration/energy drift too large   6.22962864675545     
+   10.9113692155338       split increased to            2  itime      981228 
+  itsplit           1
+ acceleration/energy drift too large   10.1564913812913     
+   36.0850869802977       split increased to            2  itime      982562 
+  itsplit           1
+ acceleration/energy drift too large   5.44231166020646     
+   12.1901827845758       split increased to            2  itime      984894 
+  itsplit           1
+ acceleration/energy drift too large   3.77567917568855     
+   12.4107900709873       split increased to            2  itime      985091 
+  itsplit           1
+ acceleration/energy drift too large   4.81611833999544     
+   10.6337627423967       split increased to            2  itime      985112 
+  itsplit           1
+ acceleration/energy drift too large   3.21101392292268     
+   11.4607064613564       split increased to            2  itime      986660 
+  itsplit           1
+ acceleration/energy drift too large   2.65887575317658     
+   10.1574922450427       split increased to            2  itime      986729 
+  itsplit           1
+ acceleration/energy drift too large   6.33364914026126     
+   20.5262745439878       split increased to            2  itime      987355 
+  itsplit           1
+ acceleration/energy drift too large   4.72611671901558     
+   10.7730814185265       split increased to            2  itime      988805 
+  itsplit           1
+ acceleration/energy drift too large   5.76685045752980     
+   13.4697329875016       split increased to            2  itime      990179 
+  itsplit           1
+ acceleration/energy drift too large   2.20304072015411     
+   10.0354983726618       split increased to            2  itime      991986 
+  itsplit           1
+ acceleration/energy drift too large   3.08272744359795     
+   16.7161093177514       split increased to            2  itime      992447 
+  itsplit           1
+ acceleration/energy drift too large   8.43088297136978     
+   24.8092834652278       split increased to            2  itime      994338 
+  itsplit           1
+ acceleration/energy drift too large   4.89074464088649     
+   19.7629412273572       split increased to            2  itime      995089 
+  itsplit           1
+ acceleration/energy drift too large   4.54883581979621     
+   24.7915785751132       split increased to            2  itime      995374 
+  itsplit           1
+ acceleration/energy drift too large   3.71976699860422     
+   13.5625949967709       split increased to            2  itime      995538 
+  itsplit           1
+ acceleration/energy drift too large   1.86794383766288     
+   10.0738749365881       split increased to            2  itime      995540 
+  itsplit           1
+ acceleration/energy drift too large   4.30889215692605     
+   15.6681365356283       split increased to            2  itime      995541 
+  itsplit           1
+ acceleration/energy drift too large   2.83411814565483     
+   11.4263377093847       split increased to            2  itime      995544 
+  itsplit           1
+ acceleration/energy drift too large   2.45640166078580     
+   11.3918701767145       split increased to            2  itime      995545 
+  itsplit           1
+ acceleration/energy drift too large   3.52031120369126     
+   12.8965653988812       split increased to            2  itime      995550 
+  itsplit           1
+ acceleration/energy drift too large   5.23264132192334     
+   13.4176671876097       split increased to            2  itime      995552 
+  itsplit           1
+ acceleration/energy drift too large   4.56680442413885     
+   15.5405297975629       split increased to            2  itime      995556 
+  itsplit           1
+ acceleration/energy drift too large   4.07794090794258     
+   21.2327648086682       split increased to            2  itime      995558 
+  itsplit           1
+ acceleration/energy drift too large   3.45957073338547     
+   25.1074421358227       split increased to            2  itime      995559 
+  itsplit           1
+ acceleration/energy drift too large   2.82477611014165     
+   12.8549108410194       split increased to            2  itime      995562 
+  itsplit           1
+ acceleration/energy drift too large   3.27617847061697     
+   19.4341262213182       split increased to            2  itime      995563 
+  itsplit           1
+ acceleration/energy drift too large   3.14633024839245     
+   15.5815660254538       split increased to            2  itime      995564 
+  itsplit           1
+ acceleration/energy drift too large   3.47166597063741     
+   28.2773223723572       split increased to            2  itime      995565 
+  itsplit           1
+ acceleration/energy drift too large   2.30482020622760     
+   11.0950259022612       split increased to            2  itime      995567 
+  itsplit           1
+ acceleration/energy drift too large   3.20819095461305     
+   15.1292637188783       split increased to            2  itime      995570 
+  itsplit           1
+ acceleration/energy drift too large   4.21481323253032     
+   10.1192049102221       split increased to            2  itime      995572 
+  itsplit           1
+ acceleration/energy drift too large   2.56187503474127     
+   11.7169553811374       split increased to            2  itime      995573 
+  itsplit           1
+ acceleration/energy drift too large   2.19427196390451     
+   16.4570119788333       split increased to            2  itime      995576 
+  itsplit           1
+ acceleration/energy drift too large   3.06793958349614     
+   16.6965084120121       split increased to            2  itime      995578 
+  itsplit           1
+ acceleration/energy drift too large   3.06195906503760     
+   19.6768544237427       split increased to            2  itime      995579 
+  itsplit           1
+ acceleration/energy drift too large   4.49264720761182     
+   19.9401871632894       split increased to            2  itime      995582 
+  itsplit           1
+ acceleration/energy drift too large   2.90168568039720     
+   15.6646372567353       split increased to            2  itime      995583 
+  itsplit           1
+ acceleration/energy drift too large   2.60400528601768     
+   13.7524489980507       split increased to            2  itime      995584 
+  itsplit           1
+ acceleration/energy drift too large   4.32686416170306     
+   24.2729305814572       split increased to            2  itime      995585 
+  itsplit           1
+ acceleration/energy drift too large   3.85136157447178     
+   11.6493359426915       split increased to            2  itime      995588 
+  itsplit           1
+ acceleration/energy drift too large   2.49093070227004     
+   16.7469418218695       split increased to            2  itime      995589 
+  itsplit           1
+ acceleration/energy drift too large   4.47809951242449     
+   15.2052919490160       split increased to            2  itime      995594 
+  itsplit           1
+ acceleration/energy drift too large   3.41879975313847     
+   19.7987197162088       split increased to            2  itime      995596 
+  itsplit           1
+ acceleration/energy drift too large   3.81479393857418     
+   15.5331845815650       split increased to            2  itime      995597 
+  itsplit           1
+ acceleration/energy drift too large   3.17665924544766     
+   10.7274982562178       split increased to            2  itime      995598 
+  itsplit           1
+ acceleration/energy drift too large   2.97660198766684     
+   17.9849867028247       split increased to            2  itime      995599 
+  itsplit           1
+ acceleration/energy drift too large   4.11101706081995     
+   12.1844691918071       split increased to            2  itime      995602 
+  itsplit           1
+ acceleration/energy drift too large   2.71911053974847     
+   23.3173356128113       split increased to            2  itime      995603 
+  itsplit           1
+ acceleration/energy drift too large   2.74387618669257     
+   10.3054416219875       split increased to            2  itime      995605 
+  itsplit           1
+ acceleration/energy drift too large   4.74242680529940     
+   13.2739135247057       split increased to            2  itime      995616 
+  itsplit           1
+ acceleration/energy drift too large   2.66276186604910     
+   11.5247985426541       split increased to            2  itime      995639 
+  itsplit           1
+ acceleration/energy drift too large   4.38593388872484     
+   24.6829281538909       split increased to            2  itime      995824 
+  itsplit           1
+ acceleration/energy drift too large   3.57055448077953     
+   14.9562956194191       split increased to            2  itime      995843 
+  itsplit           1
+ acceleration/energy drift too large   3.08336188090469     
+   14.3350571396723       split increased to            2  itime      996419 
+  itsplit           1
+ acceleration/energy drift too large   3.35802820251588     
+   13.7064706574653       split increased to            2  itime      997153 
+  itsplit           1
+ acceleration/energy drift too large   3.83015385026176     
+   12.5082257119764       split increased to            2  itime      997423 
+  itsplit           1
+ acceleration/energy drift too large   6.03659241972465     
+   11.2352246495741       split increased to            2  itime      997893 
+  itsplit           1
+ acceleration/energy drift too large   5.00480333351284     
+   28.2221920551452       split increased to            2  itime      998320 
+  itsplit           1
+ acceleration/energy drift too large   4.89565591573209     
+   16.5923337045410       split increased to            2  itime      998806 
+  itsplit           1
+ acceleration/energy drift too large   4.77777271829654     
+   31.9941548665554       split increased to            2  itime      998828 
+  itsplit           1
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    4.29688E-02
+           Energy & gradient evaluation:    3.76379E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.55000E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/MD/Langevin/ff_gab/unres.csh b/examples/unres/new/MD/Langevin/ff_gab/unres.csh
index 568cf99..2652ea2 100755
--- a/examples/unres/new/MD/Langevin/ff_gab/unres.csh
+++ b/examples/unres/new/MD/Langevin/ff_gab/unres.csh
@@ -1,25 +1,24 @@
-#!/bin/csh
+#!/bin/csh -f
 setenv FGPROCS 1
 setenv POT GB
-setenv PREFIX  1L2Y_MD
+setenv PREFIX 1L2Y_MD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_oldparm.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv DD /users/czarek/UNRES/export_v3/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
-setenv THETPARPDB $DD/thetaml.5parm
-setenv ROTPARPDB $DD/scgauss.parm
 setenv ROTPAR $DD/scgauss.parm
 setenv TORPAR $DD/torsion_631Gdp.parm
 setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm
-setenv SIDEPAR $DD/scinter_${POT}.parm
+setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-setenv SCCORPAR $DD/rotcorr_AM1.parm
+#setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
-setenv PRINT_PARM NO
 #-----------------------------------------------------------------------------
 $UNRES_BIN $*
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD.out_GB000 b/examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD.out_GB000
index b7ce3cd..69bf4b5 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD.out_GB000
+++ b/examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD.out_GB000
@@ -5,25 +5,25 @@
  Output file                     : 1L2Y_MD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
@@ -403,13 +403,13 @@ Initial:
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    4.29688E-02
-           Energy & gradient evaluation:    3.69449E+02
+                  MD calculations setup:    4.68750E-02
+           Energy & gradient evaluation:    3.77336E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.14484E+02
+                               MD steps:    4.15750E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   419.515625000000       sec
+ Total wall clock time   420.417968750000       sec
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_1l2y/fort.2 b/examples/unres/new/MD/Nose_Hoover/ff_1l2y/fort.2
index 2130bb6..cabdb44 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_1l2y/fort.2
+++ b/examples/unres/new/MD/Nose_Hoover/ff_1l2y/fort.2
@@ -6,21 +6,21 @@ NVT-XI-RESPA algorithm
                                                 Temperature: 300.00000
                                                          Q =   1.00000
 ====================MD calculation start====================
- H0=    209.551133736249     
+ H0=    214.651963618965     
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    6.05469E-01
-           Energy & gradient evaluation:    3.72738E+02
+                  MD calculations setup:    4.68750E-02
+           Energy & gradient evaluation:    3.82008E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.18871E+02
+                               MD steps:    4.20270E+02
 
 
 ============================  End of MD calculation  ===========================
 setup:    0.00000E+00
-                               MD steps:    4.14324E+02
+                               MD steps:    4.18730E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_1l2y/unres.csh b/examples/unres/new/MD/Nose_Hoover/ff_1l2y/unres.csh
index 633b4ef..5db52b5 100755
--- a/examples/unres/new/MD/Nose_Hoover/ff_1l2y/unres.csh
+++ b/examples/unres/new/MD/Nose_Hoover/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD.out_GB000 b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD.out_GB000
index c632ad7..370b379 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD.out_GB000
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD.out_GB000
@@ -5,35 +5,41 @@
  Output file                     : 1L2Y_MD.out_GB000
  
  Sidechain potential file        : 
- /users/adam/unres//PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
- SCp potential file              : /users/adam/unres//PARAM/scp.parm
- Electrostatic potential file    : /users/adam/unres//PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ p8g-sc
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/adam/unres//PARAM/fourier_opt.parm.1igd_hc_iter3_3
- Torsional parameter file        : /users/adam/unres//PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/adam/unres//PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/adam/unres//PARAM/rotcorr_AM1.parm
- Bond & inertia constant file    : /users/adam/unres//PARAM/bond.parm
- Bending parameter file          : /users/adam/unres//PARAM/thetaml.5parm
- Rotamer parameter file          : /users/adam/unres//PARAM/scgauss.parm
- Threading database              : /users/adam/unres//PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 62
- compiled Sun May 13 16:07:22 2012
- compiled by adam@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
  OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
  flags:
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
  FC= ifort
- OPT =  -O3 -ip -w 
+ OPT =  -g -ip -w -CB 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
  FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
  FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
@@ -304,7 +310,7 @@ Mesoscopic molecular dynamics (MD) calculation.
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
-  3.226027363508501E-017  2.674744206453251E-017  6.125368411725002E-018
+  1.837610523517500E-017 -2.960594732333751E-018  9.596410511702503E-018
 
 
               alpha-carbon coordinates            centroid coordinates
@@ -391,50 +397,65 @@ Initial:
 
     maximum acceleration    7.07629E-01
 
- acceleration/energy drift too large   9.78013718448949     
-   10.6971139128278       split increased to            2  itime       72745 
+ acceleration/energy drift too large   11.2926424070625     
+   13.6605134887925       split increased to            2  itime        5488 
   itsplit           1
- acceleration/energy drift too large   6.65467285428532     
-   11.4261305813792       split increased to            2  itime      213434 
+ acceleration/energy drift too large   12.2479155916642     
+   17.8916022742654       split increased to            2  itime      146134 
   itsplit           1
- acceleration/energy drift too large   6.23173521323265     
-   12.7765218283068       split increased to            2  itime      224643 
+ acceleration/energy drift too large   9.64402968286842     
+   11.3087438689470       split increased to            2  itime      173097 
   itsplit           1
- acceleration/energy drift too large   9.82326621220746     
-   10.5112359366962       split increased to            2  itime      240810 
+ acceleration/energy drift too large   5.98151849708125     
+   10.5358868963268       split increased to            2  itime      325094 
   itsplit           1
- acceleration/energy drift too large   11.6741711355468     
-   14.5266567820789       split increased to            2  itime      293410 
+ acceleration/energy drift too large   9.92185743247020     
+   10.3282402848183       split increased to            2  itime      337991 
   itsplit           1
- acceleration/energy drift too large   14.4639213800120     
-   23.7234928069806       split increased to            2  itime      413671 
+ acceleration/energy drift too large   12.4467738353776     
+   16.3475089599066       split increased to            2  itime      377718 
   itsplit           1
- acceleration/energy drift too large   10.7495418233675     
-   11.7766241585679       split increased to            2  itime      707772 
+ acceleration/energy drift too large   9.40536271695775     
+   11.7402473647113       split increased to            2  itime      399086 
   itsplit           1
- acceleration/energy drift too large   14.1580222958177     
-   15.5950126123075       split increased to            2  itime      782746 
+ acceleration/energy drift too large   13.1653706876790     
+   16.9150100267623       split increased to            2  itime      448471 
   itsplit           1
- acceleration/energy drift too large   11.1422328063867     
-   12.5552272072498       split increased to            2  itime      851609 
+ acceleration/energy drift too large   6.46490539699288     
+   12.1544022140714       split increased to            2  itime      477390 
   itsplit           1
- acceleration/energy drift too large   7.92906617031973     
-   14.0128676820342       split increased to            2  itime      904403 
+ acceleration/energy drift too large   13.1589518405409     
+   17.5436060457116       split increased to            2  itime      479111 
   itsplit           1
- acceleration/energy drift too large   10.7058448136198     
-   14.3424550573967       split increased to            2  itime      908867 
+ acceleration/energy drift too large   10.5950744430222     
+   10.4028358818328       split increased to            2  itime      479526 
+  itsplit           1
+ acceleration/energy drift too large   11.0521089342970     
+   12.3123692023542       split increased to            2  itime      710277 
+  itsplit           1
+ acceleration/energy drift too large   5.83156435721131     
+   10.6993564628405       split increased to            2  itime      739656 
+  itsplit           1
+ acceleration/energy drift too large   7.08760014331940     
+   11.9290942024338       split increased to            2  itime      774367 
+  itsplit           1
+ acceleration/energy drift too large   12.2797621496046     
+   17.4776170393841       split increased to            2  itime      906363 
+  itsplit           1
+ acceleration/energy drift too large   15.5956529698596     
+   21.6103248292573       split increased to            2  itime      977004 
   itsplit           1
 
 
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.09223E+02
+           Energy & gradient evaluation:    3.74867E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.28801E+02
+                               MD steps:    4.11719E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   333.972656250000       sec
+ Total wall clock time   420.156250000000       sec
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_000.rst b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_000.rst
index 12f1026..f60ed2e 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_000.rst
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_000.rst
@@ -1,90 +1,90 @@
-   100000.000001333        32.7872982397863       -35.1557249825889     
-  -2.36842674280258        300.000000000000     
+   100000.000001333        30.3375437816428       -42.2284203483725     
+  -11.8908765667298        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.61970E-01    0.37587E-01    0.32206E+00
-    0.16478E+00   -0.29292E+00   -0.82369E-01
-   -0.25416E+00    0.14331E+00   -0.11741E+00
-    0.16057E-01    0.18610E+00    0.19366E+00
-    0.33054E-01   -0.75396E-01   -0.19338E-01
-    0.21410E+00   -0.57629E-01    0.10746E+00
-   -0.26821E+00   -0.39616E-01   -0.16551E+00
-    0.60150E-01   -0.55119E-01   -0.11150E+00
-    0.11354E+00    0.79065E-01    0.12394E+00
-   -0.25981E+00    0.91392E-01    0.13995E+00
-    0.31354E+00    0.20652E-01   -0.16808E+00
-   -0.20183E+00   -0.27448E+00    0.25953E+00
-    0.82812E-01    0.21013E+00   -0.75636E-01
-   -0.26367E+00   -0.10797E+00   -0.61658E-01
-    0.36323E+00    0.12556E+00    0.99358E-01
-   -0.97151E-01   -0.38019E-01   -0.29588E+00
-    0.11590E+00    0.13352E+00    0.18055E+00
-   -0.64596E-01   -0.49677E-01    0.51279E-01
-   -0.34387E-01   -0.82613E-01    0.65000E-01
+   -0.65959E-01    0.23397E+00    0.16361E+00
+    0.54536E-01   -0.12818E+00   -0.83608E-01
+   -0.96619E-01    0.82416E-01    0.45222E-01
+    0.14254E+00    0.12834E+00    0.44248E-01
+   -0.32805E+00   -0.14151E+00   -0.18401E+00
+    0.37942E+00    0.80039E-01    0.15293E+00
+   -0.16967E+00   -0.40575E-01    0.37736E-01
+    0.21916E+00    0.14606E+00   -0.74252E-01
+   -0.33871E+00   -0.36404E+00    0.94536E-02
+    0.89640E-01    0.24329E+00    0.45605E-01
+    0.39480E+00    0.40237E-01   -0.97616E-01
+   -0.48702E+00   -0.17461E+00    0.77623E-01
+    0.14499E+00    0.86740E-01    0.60366E-01
+   -0.14168E+00    0.10308E-01   -0.17273E+00
+    0.41524E-01   -0.11523E-01   -0.53310E-01
+    0.12104E+00    0.23955E-01    0.28868E+00
+    0.23200E+00   -0.23764E+00   -0.25022E+00
+   -0.13225E+00    0.35472E+00    0.31752E-01
+    0.42443E-01   -0.80556E-01    0.22944E-01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.61790E-01   -0.20600E+00    0.23146E+00
-    0.51321E-01    0.79402E-01   -0.52051E-01
-   -0.92038E-01    0.58563E-01   -0.35166E-01
-    0.32579E-01    0.15688E+00    0.18031E+00
-    0.75216E-01   -0.23821E-03    0.53838E-02
-   -0.26985E-01   -0.26655E-01   -0.96021E-01
-   -0.21423E+00    0.45952E-01    0.79874E-01
-    0.35243E-01    0.18369E-01   -0.12132E+00
-    0.41110E-01    0.83666E-01    0.11470E+00
+   -0.86403E-01    0.10819E+00   -0.41231E-01
+   -0.68424E-01   -0.57431E-01   -0.10362E+00
+    0.51630E-01   -0.14709E-01    0.45074E-01
+    0.55641E-01   -0.41128E-01   -0.10479E+00
+   -0.16767E+00   -0.64815E-02   -0.46225E-01
+    0.17996E+00   -0.64671E-01    0.63112E-01
+   -0.65552E-01   -0.10795E+00    0.30169E-01
+    0.21204E-01    0.79717E-01    0.15461E-01
+   -0.62212E-02   -0.23974E+00    0.11521E-01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.27970E+00   -0.96194E-01    0.45946E-01
-    0.48623E-01    0.27450E+00   -0.14935E+00
-   -0.86783E-01   -0.70399E-01   -0.13843E+00
+   -0.31895E+00   -0.59876E-01    0.12113E+00
+    0.10405E+00   -0.52802E-01   -0.11278E-01
+    0.12996E-01   -0.34737E-01   -0.22488E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.13118E+00   -0.41246E-01   -0.17657E+00
-   -0.10021E+00   -0.83417E-02   -0.68639E-01
-   -0.30863E-02   -0.90352E-01   -0.15764E+00
-   -0.14277E+00   -0.19774E+00   -0.17918E+00
-    0.21920E-01    0.12834E+00   -0.25463E+00
+    0.39513E-02    0.12833E+00    0.11412E+00
+   -0.10522E+00   -0.10584E+00   -0.22549E+00
+   -0.20351E+00    0.19919E+00    0.10610E+00
+   -0.13844E+00   -0.40517E-02    0.37649E-01
+    0.23922E-01    0.10137E+00    0.14943E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.38000E+01    0.00000E+00    0.00000E+00
-    0.15269E+00    0.36746E+01    0.11566E+01
-   -0.36732E+01    0.15754E+00   -0.10856E+01
-   -0.13664E+01   -0.18346E+01    0.29999E+01
-    0.17066E+01    0.25952E+01    0.21877E+01
-   -0.23366E+01    0.26810E+01   -0.13939E+01
-   -0.29264E+01   -0.23926E+01   -0.38979E-01
-    0.60584E+00   -0.87335E+00    0.36726E+01
-   -0.76750E+00    0.35900E+01    0.90577E+00
-   -0.37908E+01   -0.63017E-01   -0.65452E+00
-    0.16457E+00    0.25605E+01   -0.28268E+01
-    0.61234E+00   -0.97126E+00   -0.36273E+01
-   -0.18341E+01   -0.32037E+01    0.30446E+00
-   -0.31623E+01    0.16965E+01   -0.12625E+01
-   -0.13798E+01   -0.32377E+01   -0.14527E+01
-    0.27350E+01   -0.48916E+00   -0.25973E+01
-    0.37290E+01   -0.39739E+00   -0.50106E+00
-    0.25783E+01    0.27677E+01   -0.33042E+00
-    0.37353E+01   -0.51878E+00   -0.55306E+00
-    0.21268E+01    0.31747E+01    0.15612E+00
+   -0.18865E-01   -0.24045E+01   -0.29768E+01
+   -0.33549E+01    0.13195E+01   -0.13231E+01
+    0.70436E+00   -0.17649E+01   -0.32691E+01
+   -0.14127E+01   -0.32317E+01    0.14959E+01
+   -0.33025E+01    0.16544E+01    0.57384E+00
+    0.18064E+00    0.13530E+01   -0.35376E+01
+   -0.20762E+00   -0.33860E+01   -0.14940E+01
+   -0.34967E+01   -0.51984E+00    0.14654E+01
+   -0.15788E+01    0.28988E+01   -0.19265E+01
+    0.66240E+00    0.23967E+01    0.29380E+01
+   -0.38860E+00    0.36948E+01    0.24624E+00
+    0.19762E+01    0.58274E+00   -0.31336E+01
+    0.21601E+00    0.35244E+01   -0.12997E+01
+    0.22368E+01    0.19484E+00   -0.31040E+01
+    0.31992E+01   -0.10685E+01    0.18013E+01
+    0.92096E+00   -0.30332E+01    0.20554E+01
+    0.19970E+01    0.91400E+00    0.31509E+01
+    0.33378E+01   -0.18168E+01   -0.38910E+00
+    0.26618E+01   -0.72280E+00    0.25945E+01
     0.38000E+01   -0.25738E-29   -0.46537E-14
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.10600E+00   -0.16940E+01   -0.18960E+00
-    0.16882E+01    0.96305E+00   -0.13803E+00
-   -0.18307E+01   -0.42492E+00   -0.16517E+01
-    0.64668E+00   -0.14763E+01    0.63488E+00
-    0.20147E+01    0.89677E+00    0.67648E-01
-    0.94234E+00    0.17520E+01   -0.17748E+01
-   -0.53913E+00   -0.52528E+00   -0.17545E+01
-    0.19359E+01   -0.15767E+01    0.53513E+00
-   -0.58558E-01    0.42642E+00   -0.16574E+01
+    0.38251E+00   -0.22358E+00    0.15893E+01
+    0.20100E+00   -0.17217E+01   -0.82251E+00
+   -0.20924E+01    0.11328E+01    0.76300E+00
+    0.16648E+01    0.37644E+00   -0.51499E+00
+    0.21026E-02   -0.10439E+01    0.19972E+01
+   -0.24523E+01    0.15204E+00    0.83139E+00
+    0.21806E+00    0.18144E+01    0.54862E+00
+    0.24520E+01   -0.57927E+00    0.36587E+00
+   -0.11302E+00   -0.19083E+00    0.17313E+01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.13486E+01   -0.94034E-01   -0.20545E-01
-   -0.14658E+00   -0.10820E+01   -0.34851E+00
-    0.43903E+00    0.99234E+00   -0.33458E+00
+    0.10242E+01   -0.54482E-01    0.96095E+00
+    0.77207E+00   -0.56521E+00   -0.63330E+00
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_001.rst b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_001.rst
index e34f99f..cadffee 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_001.rst
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_001.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_002.rst b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_002.rst
index 8613c00..49fbef0 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_002.rst
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_002.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_003.rst b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_003.rst
index 5ba0cec..6207887 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_003.rst
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_003.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_004.rst b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_004.rst
index 7191187..697dd35 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_004.rst
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_004.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_005.rst b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_005.rst
index 55e313c..e9a3941 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_005.rst
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_005.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_006.rst b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_006.rst
index 85010b0..d080531 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_006.rst
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_006.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_007.rst b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_007.rst
index 7af1adc..2ebd63e 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_007.rst
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_007.rst
@@ -1,90 +1,90 @@
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     0.00000E+00    0.00000E+00    0.00000E+00
-    0.25304E-01    0.15352E+01   -0.72082E+00
-   -0.54919E+00   -0.14056E+01    0.11682E+01
-    0.85386E+00    0.12190E+01   -0.19984E+01
-    0.23009E+00    0.16637E+01   -0.71914E+00
-   -0.15983E+01   -0.14199E+01    0.76383E+00
-    0.84579E+00   -0.18751E+01    0.16235E+01
-    0.40069E+00    0.27172E+00   -0.18929E+01
-   -0.18738E+01   -0.64516E+00    0.16158E+01
-    0.78841E-02   -0.17311E+01    0.87531E-01
+    0.22202E+00   -0.48752E+00    0.16789E+01
+   -0.15625E+01   -0.11388E+01    0.23678E+00
+    0.22159E+01   -0.10540E+01   -0.42238E+00
+   -0.17126E+01    0.42280E+00    0.14965E+00
+   -0.17277E+01    0.13664E+01    0.44303E+00
+    0.22863E+01   -0.71571E+00   -0.10861E+01
+   -0.19453E+00   -0.72819E+00    0.17809E+01
+   -0.24070E+01    0.52561E+00   -0.50006E+00
+    0.11252E+01    0.12553E+01   -0.57731E-02
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.63792E-02   -0.63445E+00   -0.11398E+01
-   -0.17764E+00    0.90222E+00    0.74169E+00
-    0.12454E+00   -0.58281E+00   -0.98454E+00
+   -0.48853E+00   -0.12558E+01    0.13287E+00
+    0.66311E+00    0.70127E+00    0.49993E+00
+   -0.71243E+00   -0.85866E-01   -0.98305E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.17438E+01    0.16048E+01   -0.18068E+01
-   -0.10244E+01   -0.19740E+00   -0.88320E+00
-    0.13136E+00    0.25317E-01    0.13415E+01
-    0.60879E+00    0.58733E+00   -0.10347E+01
-   -0.45704E+00   -0.98279E+00   -0.17009E+00
+   -0.18423E+01    0.17117E+01   -0.17220E+01
+   -0.82365E+00    0.88425E+00   -0.61088E+00
+   -0.34069E+00   -0.10734E+01    0.79146E+00
+    0.20011E-01    0.13026E+01   -0.59996E-01
+   -0.94520E+00   -0.49598E+00   -0.47606E+00
     0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB000.stat b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB000.stat
index 846764e..23e3a7c 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB000.stat
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB000.stat
@@ -1,101 +1,101 @@
          0           0.00      31.622      24.828      56.450    0.000000  12.87 0.000   NaN   NaN 0.708     286.889     300.000      15.552    0 
-     10000        1000.00      37.583     -22.442      15.141   25.199479   4.18 0.143 0.000 0.136 0.595     340.974     300.000       7.702    0 
-     20000        2000.00      25.638     -46.783     -21.145   32.791753   2.97 0.286 0.733 0.324 0.357     232.605     300.000       6.833    0 
-     30000        3000.00      29.117     -48.678     -19.561   38.759684   2.95 0.357 0.583 0.284 0.374     264.166     300.000       6.953    0 
-     40000        4000.00      31.782     -29.193       2.589   41.281452   4.27 0.143 0.750 0.188 0.379     288.346     300.000       8.075    0 
-     50000        5000.00      30.461     -36.141      -5.680   47.659520   3.93 0.429 0.600 0.385 0.708     276.358     300.000       6.618    0 
-     60000        6000.00      33.159     -45.050     -11.891   72.735555   4.47 0.214 0.667 0.374 0.583     300.834     300.000       6.823    0 
-     70000        7000.00      40.300     -33.045       7.255   98.400307   3.90 0.286 0.636 0.264 0.930     365.621     300.000       7.271    0 
-     80000        8000.00      38.028     -42.878      -4.850  110.925037   3.71 0.357 0.706 0.364 0.829     345.009     300.000       6.428    0 
-     90000        9000.00      27.878     -28.607      -0.730  119.345922   4.91 0.286 0.667 0.277 0.588     252.920     300.000       6.981    0 
-    100000       10000.00      31.770     -33.906      -2.136  140.436941   4.37 0.214 0.750 0.428 0.887     288.231     300.000       6.733    0 
-    110000       11000.00      25.867     -29.697      -3.831  158.357760   3.72 0.357 0.545 0.393 0.714     234.678     300.000       7.090    0 
-    120000       12000.00      30.684     -36.027      -5.342  167.960518   4.18 0.214 0.750 0.451 0.767     278.385     300.000       6.721    0 
-    130000       13000.00      28.226     -32.306      -4.080  168.699797   3.95 0.357 0.615 0.420 0.703     256.083     300.000       6.736    0 
-    140000       14000.00      36.952     -34.769       2.183  181.774959   2.91 0.286 0.692 0.276 0.876     335.252     300.000       6.685    0 
-    150000       15000.00      33.795     -35.002      -1.208  194.760601   3.22 0.286 0.600 0.295 0.890     306.601     300.000       7.403    0 
-    160000       16000.00      33.270     -30.196       3.075  215.509879   3.40 0.357 0.583 0.311 0.354     301.843     300.000       6.733    0 
-    170000       17000.00      28.462     -46.332     -17.870  222.968301   3.56 0.429 0.667 0.323 0.608     258.222     300.000       6.325    0 
-    180000       18000.00      41.024     -41.344      -0.320  235.438884   3.99 0.429 0.667 0.439 0.742     372.191     300.000       6.112    0 
-    190000       19000.00      32.922     -27.781       5.142  242.240694   4.11 0.357 0.545 0.339 0.491     298.689     300.000       7.033    0 
-    200000       20000.00      33.259     -46.680     -13.421  253.176157   3.56 0.357 0.615 0.332 0.978     301.746     300.000       6.951    0 
-    210000       21000.00      35.219     -37.614      -2.396  310.175834   3.76 0.357 0.667 0.330 0.755     319.521     300.000       6.713    0 
-    220000       22000.00      28.057     -44.320     -16.263  319.978882   5.26 0.286 0.750 0.307 0.584     254.551     300.000       6.857    0 
-    230000       23000.00      32.982     -38.624      -5.642  333.408886   2.91 0.429 0.571 0.256 0.524     299.226     300.000       6.569    0 
-    240000       24000.00      42.074     -34.264       7.810  350.600330   3.57 0.286 0.556 0.293 0.336     381.716     300.000       6.986    0 
-    250000       25000.00      30.560     -34.108      -3.548  357.088046   4.59 0.357 0.583 0.246 0.471     277.253     300.000       7.125    0 
-    260000       26000.00      33.103     -33.883      -0.781  378.764034   5.15 0.357 0.583 0.231 0.492     300.325     300.000       7.141    0 
-    270000       27000.00      41.961     -42.847      -0.886  408.729202   3.34 0.286 0.667 0.379 0.656     380.687     300.000       6.946    0 
-    280000       28000.00      29.736     -35.225      -5.489  423.670285   3.43 0.214 0.667 0.217 1.046     269.777     300.000       7.031    0 
-    290000       29000.00      28.535     -33.769      -5.234  444.652425   4.82 0.286 0.733 0.309 0.780     258.884     300.000       6.570    0 
-    300000       30000.00      37.636     -38.078      -0.441  465.916497   4.46 0.286 0.733 0.427 1.139     341.457     300.000       6.406    0 
-    310000       31000.00      38.972     -38.955       0.017  482.569180   4.16 0.357 0.667 0.370 1.043     353.576     300.000       6.829    0 
-    320000       32000.00      27.304     -29.641      -2.337  497.944228   6.67 0.286 0.600 0.205 0.375     247.712     300.000       8.079    0 
-    330000       33000.00      29.869     -30.546      -0.678  518.335975   6.07 0.286 0.714 0.253 0.575     270.984     300.000       7.432    0 
-    340000       34000.00      31.324     -40.760      -9.436  521.186623   6.52 0.286 0.667 0.208 0.848     284.190     300.000       7.504    0 
-    350000       35000.00      36.765     -35.965       0.801  537.712395   5.25 0.000 1.000 0.273 0.639     333.555     300.000       7.066    0 
-    360000       36000.00      24.918     -33.873      -8.955  536.564339   4.97 0.357 0.444 0.242 0.914     226.067     300.000       7.186    0 
-    370000       37000.00      31.091     -35.922      -4.831  554.903422   5.39 0.286 0.636 0.240 1.593     282.072     300.000       7.259    0 
-    380000       38000.00      27.571     -41.493     -13.922  566.466834   5.43 0.143 0.714 0.312 0.672     250.136     300.000       6.852    0 
-    390000       39000.00      36.654     -37.509      -0.855  568.658825   5.02 0.214 0.500 0.205 0.532     332.548     300.000       7.260    0 
-    400000       40000.00      35.292     -44.151      -8.859  584.194777   5.10 0.143 0.818 0.326 0.844     320.189     300.000       6.917    0 
-    410000       41000.00      35.833     -29.052       6.781  600.142930   4.32 0.214 0.700 0.273 0.565     325.094     300.000       6.999    0 
-    420000       42000.00      29.704     -34.720      -5.016  619.006956   4.50 0.214 0.727 0.372 0.424     269.490     300.000       6.834    0 
-    430000       43000.00      40.787     -36.882       3.905  633.013279   4.85 0.143 0.750 0.403 0.491     370.041     300.000       6.996    0 
-    440000       44000.00      29.019     -28.796       0.224  641.794856   6.38 0.071 0.900 0.359 1.133     263.280     300.000       7.158    0 
-    450000       45000.00      33.469     -41.212      -7.743  641.491831   5.34 0.143 0.800 0.359 0.604     303.647     300.000       7.115    0 
-    460000       46000.00      31.508     -35.287      -3.779  658.609563   4.80 0.286 0.556 0.258 0.469     285.861     300.000       6.910    0 
-    470000       47000.00      38.011     -30.279       7.732  672.296949   6.15 0.071 0.667 0.152 0.618     344.855     300.000       9.272    0 
-    480000       48000.00      31.092     -28.274       2.818  680.096500   6.97 0.071 0.833 0.197 0.446     282.082     300.000       7.836    0 
-    490000       49000.00      30.119     -30.529      -0.410  688.349766   4.88 0.214 0.625 0.176 0.542     273.257     300.000       8.407    0 
-    500000       50000.00      32.503     -30.470       2.033  695.508594   7.36 0.143 0.714 0.214 0.760     294.883     300.000       8.030    0 
-    510000       51000.00      30.747     -36.600      -5.853  694.473904   5.18 0.071 0.923 0.343 0.610     278.951     300.000       6.494    0 
-    520000       52000.00      29.425     -32.438      -3.013  709.944428   3.96 0.214 0.500 0.364 0.553     266.957     300.000       8.186    0 
-    530000       53000.00      36.705     -36.345       0.360  721.828017   3.02 0.429 0.538 0.325 1.081     333.007     300.000       6.933    0 
-    540000       54000.00      35.764     -26.155       9.609  737.027167   3.39 0.286 0.500 0.318 1.367     324.470     300.000       7.161    0 
-    550000       55000.00      35.129     -33.616       1.514  763.056829   2.39 0.214 0.700 0.300 1.540     318.712     300.000       7.322    0 
-    560000       56000.00      32.414     -37.678      -5.264  775.497105   3.63 0.214 0.667 0.308 0.745     294.081     300.000       7.290    0 
-    570000       57000.00      26.564     -31.887      -5.323  777.262951   2.72 0.357 0.444 0.303 1.517     241.007     300.000       7.315    0 
-    580000       58000.00      32.538     -37.688      -5.149  787.606531   4.32 0.286 0.692 0.255 0.621     295.202     300.000       7.151    0 
-    590000       59000.00      38.718     -27.771      10.947  815.668384   4.00 0.143 0.778 0.323 1.735     351.267     300.000       6.877    0 
-    600000       60000.00      32.150     -39.391      -7.241  833.623262   4.03 0.286 0.765 0.393 0.820     291.681     300.000       6.706    0 
-    610000       61000.00      33.029     -42.531      -9.502  843.043849   4.38 0.286 0.733 0.424 0.938     299.652     300.000       6.292    0 
-    620000       62000.00      34.609     -41.545      -6.936  861.277637   3.90 0.429 0.647 0.430 0.742     313.992     300.000       6.550    0 
-    630000       63000.00      39.954     -40.343      -0.390  882.875188   3.25 0.429 0.538 0.350 1.107     362.479     300.000       6.584    0 
-    640000       64000.00      29.792     -35.990      -6.198  902.638493   4.26 0.357 0.583 0.432 0.662     270.288     300.000       6.810    0 
-    650000       65000.00      32.346     -31.124       1.223  941.769763   3.54 0.357 0.643 0.347 1.300     293.462     300.000       6.992    0 
-    660000       66000.00      30.579     -40.765     -10.186  976.203962   4.24 0.286 0.692 0.423 0.734     277.426     300.000       6.832    0 
-    670000       67000.00      26.954     -42.543     -15.589  983.676340   3.19 0.357 0.643 0.308 0.875     244.544     300.000       6.972    0 
-    680000       68000.00      33.659     -28.098       5.561  996.729280   3.86 0.286 0.636 0.393 0.904     305.372     300.000       6.530    0 
-    690000       69000.00      37.910     -40.635      -2.725 1009.579044   7.00 0.214 0.500 0.182 0.894     343.943     300.000       8.683    0 
-    700000       70000.00      32.591     -41.801      -9.210 1018.604043   3.54 0.214 0.667 0.323 0.595     295.679     300.000       7.204    0 
-    710000       71000.00      35.511     -36.888      -1.377 1035.263757   3.64 0.357 0.643 0.351 0.861     322.172     300.000       6.910    0 
-    720000       72000.00      26.899     -35.614      -8.715 1053.483048   3.72 0.214 0.700 0.364 0.541     244.045     300.000       6.638    0 
-    730000       73000.00      31.206     -34.262      -3.055 1057.217201   3.65 0.286 0.333 0.288 1.031     283.121     300.000       7.157    0 
-    740000       74000.00      38.923     -28.107      10.817 1084.983740   2.70 0.500 0.364 0.285 1.204     353.133     300.000       6.908    0 
-    750000       75000.00      40.090     -35.582       4.508 1086.116284   3.98 0.214 0.667 0.359 1.267     363.714     300.000       6.615    0 
-    760000       76000.00      38.971     -46.474      -7.503 1101.196527   4.20 0.429 0.684 0.455 0.412     353.563     300.000       6.263    0 
-    770000       77000.00      30.000     -43.399     -13.399 1106.488681   3.05 0.429 0.600 0.309 0.787     272.176     300.000       6.505    0 
-    780000       78000.00      33.920     -49.500     -15.580 1114.150391   3.25 0.286 0.750 0.290 0.668     307.742     300.000       7.112    0 
-    790000       79000.00      32.879     -26.300       6.580 1164.067408   3.49 0.357 0.375 0.386 0.540     298.297     300.000       7.912    0 
-    800000       80000.00      38.255     -28.385       9.869 1174.549993   2.64 0.286 0.556 0.333 0.834     347.065     300.000       6.676    0 
-    810000       81000.00      34.977     -41.405      -6.428 1197.507871   3.91 0.214 0.571 0.364 0.558     317.325     300.000       7.017    0 
-    820000       82000.00      33.213     -47.171     -13.958 1217.048591   3.17 0.357 0.615 0.357 0.468     301.324     300.000       6.728    0 
-    830000       83000.00      29.515     -41.537     -12.022 1217.373937   4.16 0.429 0.571 0.393 0.617     267.774     300.000       6.382    0 
-    840000       84000.00      31.455     -42.376     -10.920 1218.917325   3.24 0.286 0.733 0.339 0.679     285.380     300.000       6.793    0 
-    850000       85000.00      36.678     -39.730      -3.052 1238.907158   7.16 0.214 0.727 0.219 0.326     332.758     300.000       7.347    0 
-    860000       86000.00      28.824     -44.008     -15.184 1249.738950   6.22 0.357 0.583 0.227 0.926     261.509     300.000       7.466    0 
-    870000       87000.00      35.316     -29.018       6.298 1273.315112   5.06 0.357 0.500 0.173 1.239     320.403     300.000       7.828    0 
-    880000       88000.00      36.523     -32.413       4.110 1276.436960   6.24 0.429 0.538 0.217 0.445     331.357     300.000       7.013    0 
-    890000       89000.00      35.910     -34.010       1.900 1288.727653   4.66 0.357 0.615 0.280 0.751     325.796     300.000       7.048    0 
-    900000       90000.00      29.184     -42.196     -13.013 1313.421279   4.74 0.357 0.667 0.282 0.932     264.770     300.000       7.022    0 
-    910000       91000.00      39.289     -36.609       2.680 1332.604656   5.50 0.429 0.455 0.310 0.466     356.451     300.000       7.018    0 
-    920000       92000.00      32.920     -30.254       2.666 1341.332066   5.08 0.286 0.600 0.332 0.323     298.670     300.000       7.372    0 
-    930000       93000.00      31.092     -27.148       3.943 1351.757012   4.97 0.214 0.500 0.303 1.003     282.081     300.000       7.644    0 
-    940000       94000.00      27.666     -44.433     -16.767 1370.365673   4.61 0.214 0.700 0.277 0.673     251.002     300.000       7.099    0 
-    950000       95000.00      28.851     -31.698      -2.848 1398.511038   4.81 0.214 0.400 0.345 1.032     261.748     300.000       7.401    0 
-    960000       96000.00      32.358     -36.689      -4.331 1411.926485   5.14 0.357 0.643 0.390 0.162     293.569     300.000       6.807    0 
-    970000       97000.00      31.017     -31.287      -0.269 1418.342549   5.05 0.214 0.667 0.258 0.817     281.404     300.000       7.417    0 
-    980000       98000.00      35.484     -34.136       1.348 1426.656707   4.34 0.357 0.444 0.182 0.591     321.929     300.000       7.196    0 
-    990000       99000.00      30.890     -39.930      -9.040 1430.859397   5.50 0.214 0.750 0.330 0.661     280.249     300.000       6.875    0 
-   1000000      100000.00      32.787     -35.156      -2.368 1446.615136   3.98 0.214 0.667 0.293 0.638     297.463     300.000       7.124    0 
+     10000        1000.00      38.137     -15.691      22.446   63.798879   6.54 0.071 0.500 0.227 0.305     345.998     300.000      10.400    0 
+     20000        2000.00      35.272     -26.002       9.270  109.060674   6.20 0.143 0.750 0.489 0.956     320.006     300.000       7.569    0 
+     30000        3000.00      29.323     -27.279       2.044  120.159960   6.20 0.214 0.750 0.330 0.362     266.034     300.000       7.592    0 
+     40000        4000.00      35.032     -28.519       6.514  142.680339   5.82 0.143 0.667 0.417 0.823     317.833     300.000       8.004    0 
+     50000        5000.00      30.920     -17.714      13.206  165.111011   6.78 0.071 0.833 0.250 1.096     280.520     300.000       7.765    0 
+     60000        6000.00      30.577     -24.234       6.342  184.049421   5.78 0.071 0.833 0.250 0.556     277.407     300.000       7.473    0 
+     70000        7000.00      47.748     -27.204      20.544  188.740829   7.49 0.071 0.800 0.309 0.826     433.197     300.000       7.644    0 
+     80000        8000.00      33.397     -36.300      -2.902  201.906382   5.16 0.214 0.700 0.373 0.694     302.999     300.000       8.520    0 
+     90000        9000.00      33.400     -37.483      -4.083  227.568020   5.27 0.214 0.750 0.481 0.843     303.022     300.000       7.194    0 
+    100000       10000.00      32.341     -32.572      -0.230  248.720429   4.71 0.214 0.667 0.434 0.435     293.417     300.000       7.416    0 
+    110000       11000.00      39.062     -29.682       9.381  310.055228   4.26 0.286 0.692 0.476 0.643     354.395     300.000       7.970    0 
+    120000       12000.00      33.754     -23.684      10.070  331.981353   4.06 0.357 0.286 0.292 0.830     306.236     300.000       7.703    0 
+    130000       13000.00      34.132     -19.449      14.683  349.389302   4.28 0.143 0.714 0.455 1.370     309.664     300.000       7.653    0 
+    140000       14000.00      31.653     -38.297      -6.644  359.231246   5.37 0.143 0.818 0.314 0.436     287.175     300.000       7.226    0 
+    150000       15000.00      41.973     -30.212      11.761  372.168251   5.38 0.143 0.667 0.235 1.002     380.800     300.000       7.257    0 
+    160000       16000.00      31.422     -31.387       0.035  412.958837   5.54 0.214 0.625 0.324 0.925     285.075     300.000       6.912    0 
+    170000       17000.00      26.335     -32.404      -6.069  440.458131   6.53 0.143 0.750 0.210 0.538     238.926     300.000       7.395    0 
+    180000       18000.00      31.392     -30.058       1.333  449.507918   7.30 0.000 1.000 0.250 0.689     284.802     300.000       8.051    0 
+    190000       19000.00      37.959     -29.486       8.473  450.649238   5.43 0.143 0.818 0.289 0.929     344.379     300.000       7.023    0 
+    200000       20000.00      38.280     -36.516       1.764  463.655969   4.42 0.214 0.750 0.364 0.561     347.296     300.000       6.785    0 
+    210000       21000.00      41.757     -36.373       5.383  467.009049   3.66 0.286 0.636 0.405 0.676     378.840     300.000       6.869    0 
+    220000       22000.00      38.175     -37.484       0.691  488.504023   2.93 0.429 0.455 0.306 0.707     346.347     300.000       7.240    0 
+    230000       23000.00      26.501     -40.084     -13.583  512.236097   2.89 0.429 0.500 0.409 0.656     240.430     300.000       7.163    0 
+    240000       24000.00      27.580     -35.623      -8.043  525.351330   6.04 0.357 0.583 0.242 0.547     250.220     300.000       7.946    0 
+    250000       25000.00      39.898     -35.670       4.228  558.506881   4.01 0.214 0.625 0.244 0.757     361.975     300.000       7.746    0 
+    260000       26000.00      23.502     -34.761     -11.259  561.504834   3.65 0.357 0.375 0.244 0.686     213.223     300.000       7.729    0 
+    270000       27000.00      29.802     -40.395     -10.593  582.809258   3.57 0.214 0.800 0.288 0.690     270.378     300.000       6.806    0 
+    280000       28000.00      30.605     -44.522     -13.917  605.046865   3.22 0.214 0.786 0.295 0.675     277.662     300.000       7.372    0 
+    290000       29000.00      30.629     -36.380      -5.751  614.735644   4.98 0.286 0.667 0.439 0.478     277.881     300.000       7.402    0 
+    300000       30000.00      37.441     -39.640      -2.198  655.571291   3.82 0.214 0.786 0.351 0.775     339.688     300.000       7.146    0 
+    310000       31000.00      36.967     -40.235      -3.268  662.381983   3.90 0.286 0.667 0.367 0.881     335.383     300.000       7.220    0 
+    320000       32000.00      26.258     -39.597     -13.339  676.193483   3.72 0.357 0.667 0.358 0.610     238.226     300.000       7.394    0 
+    330000       33000.00      34.299     -37.741      -3.442  708.695477   3.36 0.357 0.688 0.389 0.489     311.175     300.000       6.695    0 
+    340000       34000.00      33.147     -42.840      -9.693  732.772999   4.32 0.214 0.800 0.412 0.506     300.728     300.000       7.012    0 
+    350000       35000.00      27.866     -35.554      -7.688  746.598322   3.46 0.357 0.545 0.347 0.600     252.819     300.000       6.879    0 
+    360000       36000.00      25.955     -30.664      -4.710  772.141395   7.15 0.214 0.625 0.216 0.537     235.473     300.000       8.251    0 
+    370000       37000.00      36.218     -38.158      -1.939  787.381867   6.84 0.214 0.786 0.286 0.450     328.592     300.000       7.012    0 
+    380000       38000.00      29.887     -34.248      -4.361  799.807012   3.05 0.286 0.500 0.165 0.783     271.148     300.000       7.393    0 
+    390000       39000.00      38.954     -43.335      -4.381  822.253826   3.23 0.286 0.556 0.288 0.926     353.414     300.000       6.885    0 
+    400000       40000.00      36.176     -31.609       4.567  843.989593   3.50 0.429 0.538 0.255 1.076     328.207     300.000       7.107    0 
+    410000       41000.00      33.436     -39.968      -6.532  852.937677   4.38 0.286 0.750 0.347 1.117     303.352     300.000       6.602    0 
+    420000       42000.00      28.592     -39.356     -10.763  863.772648   3.19 0.357 0.667 0.303 0.752     259.404     300.000       7.141    0 
+    430000       43000.00      37.573     -31.444       6.129  871.078477   2.98 0.357 0.375 0.193 0.981     340.885     300.000       7.035    0 
+    440000       44000.00      39.870     -41.682      -1.812  883.186409   4.03 0.286 0.692 0.381 0.583     361.721     300.000       6.645    0 
+    450000       45000.00      31.506     -42.675     -11.169  889.908822   4.22 0.214 0.786 0.347 0.866     285.842     300.000       6.649    0 
+    460000       46000.00      24.201     -38.445     -14.244  894.091345   4.21 0.429 0.538 0.367 0.509     219.567     300.000       6.551    0 
+    470000       47000.00      46.936     -42.242       4.694  906.377149   3.66 0.500 0.533 0.321 0.969     425.826     300.000       6.604    0 
+    480000       48000.00      29.458     -35.203      -5.745  919.699476   3.09 0.286 0.600 0.255 0.594     267.255     300.000       6.785    0 
+    490000       49000.00      35.378     -26.628       8.750  969.803385   3.07 0.429 0.647 0.364 1.308     320.966     300.000       6.858    0 
+    500000       50000.00      24.984     -34.512      -9.529  972.683200   3.23 0.286 0.733 0.330 0.353     226.664     300.000       7.156    0 
+    510000       51000.00      22.129     -35.319     -13.190  988.593809   3.98 0.214 0.700 0.359 0.702     200.765     300.000       7.023    0 
+    520000       52000.00      35.329     -28.209       7.120 1007.094913   3.10 0.357 0.583 0.383 0.668     320.523     300.000       6.881    0 
+    530000       53000.00      26.689     -43.909     -17.219 1015.590375   3.83 0.357 0.643 0.256 1.389     242.139     300.000       6.587    0 
+    540000       54000.00      27.476     -49.137     -21.661 1025.344707   3.79 0.286 0.733 0.315 0.921     249.278     300.000       6.712    0 
+    550000       55000.00      38.810     -42.395      -3.585 1034.502829   2.53 0.429 0.571 0.282 0.564     352.104     300.000       6.874    0 
+    560000       56000.00      33.149     -34.311      -1.162 1050.005871   3.90 0.357 0.583 0.258 1.326     300.740     300.000       7.118    0 
+    570000       57000.00      35.219     -37.248      -2.029 1053.193205   2.42 0.357 0.688 0.253 0.917     319.521     300.000       6.629    0 
+    580000       58000.00      32.264     -37.290      -5.026 1058.016276   5.96 0.286 0.667 0.231 0.310     292.713     300.000       7.795    0 
+    590000       59000.00      30.884     -41.955     -11.070 1066.014856   6.21 0.286 0.600 0.200 0.618     280.199     300.000       7.831    0 
+    600000       60000.00      23.390     -47.847     -24.458 1089.829612   7.04 0.214 0.786 0.250 0.754     212.202     300.000       7.129    0 
+    610000       61000.00      37.436     -23.936      13.500 1102.346960   3.04 0.500 0.500 0.334 0.726     339.641     300.000       6.544    0 
+    620000       62000.00      42.407     -43.639      -1.232 1117.633043   3.72 0.429 0.571 0.341 1.301     384.740     300.000       7.018    0 
+    630000       63000.00      32.818     -40.180      -7.362 1129.355112   3.72 0.429 0.625 0.293 1.305     297.742     300.000       7.389    0 
+    640000       64000.00      29.334     -46.416     -17.082 1136.853605   3.64 0.357 0.615 0.392 0.404     266.131     300.000       6.596    0 
+    650000       65000.00      34.909     -43.475      -8.566 1151.420584   3.35 0.500 0.462 0.336 0.364     316.715     300.000       6.554    0 
+    660000       66000.00      35.271     -40.680      -5.409 1162.462708   3.37 0.214 0.571 0.240 0.309     319.995     300.000       6.697    0 
+    670000       67000.00      31.593     -43.138     -11.546 1182.728871   3.93 0.429 0.600 0.412 0.422     286.626     300.000       6.483    0 
+    680000       68000.00      34.856     -31.291       3.564 1195.058940   3.38 0.429 0.684 0.359 1.536     316.227     300.000       6.614    0 
+    690000       69000.00      41.675     -42.669      -0.994 1196.379434   3.47 0.357 0.615 0.385 0.553     378.096     300.000       7.140    0 
+    700000       70000.00      40.289     -43.827      -3.537 1201.538481   4.75 0.214 0.750 0.413 0.630     365.525     300.000       6.988    0 
+    710000       71000.00      29.889     -47.240     -17.351 1219.862356   4.65 0.143 0.818 0.331 0.494     271.173     300.000       7.566    0 
+    720000       72000.00      34.732     -33.258       1.474 1243.572471   6.34 0.143 0.800 0.386 0.598     315.105     300.000       6.983    0 
+    730000       73000.00      33.437     -30.497       2.939 1275.805820   5.80 0.143 0.667 0.220 0.505     303.353     300.000       7.185    0 
+    740000       74000.00      30.412     -29.324       1.088 1293.814545   4.55 0.143 0.714 0.357 0.903     275.914     300.000       8.120    0 
+    750000       75000.00      50.292     -30.940      19.352 1306.783720   4.70 0.000 1.000 0.364 0.378     456.278     300.000       9.138    0 
+    760000       76000.00      27.154     -17.469       9.686 1325.752618   4.58 0.286 0.600 0.355 1.050     246.358     300.000       7.333    0 
+    770000       77000.00      38.813     -35.150       3.663 1339.307405   5.31 0.214 0.700 0.214 0.485     352.128     300.000       6.790    0 
+    780000       78000.00      37.456     -28.409       9.047 1349.806986   5.95 0.143 0.750 0.210 0.511     339.820     300.000       7.203    0 
+    790000       79000.00      31.686     -34.021      -2.336 1357.354294   5.43 0.214 0.700 0.395 0.408     287.467     300.000       6.733    0 
+    800000       80000.00      37.510     -42.108      -4.599 1363.922654   5.14 0.143 0.833 0.383 1.075     340.308     300.000       6.481    0 
+    810000       81000.00      34.423     -32.881       1.542 1375.620468   4.63 0.214 0.769 0.287 0.535     312.303     300.000       7.106    0 
+    820000       82000.00      29.221     -39.775     -10.554 1393.142940   4.94 0.214 0.750 0.314 0.403     265.109     300.000       6.740    0 
+    830000       83000.00      26.329     -37.548     -11.219 1399.485683   7.25 0.286 0.556 0.212 0.519     238.871     300.000       7.372    0 
+    840000       84000.00      32.620     -44.399     -11.779 1412.391213   6.61 0.286 0.600 0.191 0.788     295.945     300.000       7.718    0 
+    850000       85000.00      30.382     -35.366      -4.984 1429.540196   6.92 0.286 0.692 0.234 0.601     275.642     300.000       7.246    0 
+    860000       86000.00      34.289     -45.591     -11.302 1451.178230   5.34 0.214 0.571 0.390 0.730     311.084     300.000       7.221    0 
+    870000       87000.00      33.571     -31.250       2.321 1465.706005   4.73 0.143 0.818 0.434 0.603     304.578     300.000       6.757    0 
+    880000       88000.00      31.769     -27.877       3.892 1480.512106   4.92 0.286 0.500 0.176 0.605     288.229     300.000       7.507    0 
+    890000       89000.00      26.907     -32.253      -5.346 1497.366919   3.61 0.214 0.700 0.259 0.596     244.116     300.000       7.688    0 
+    900000       90000.00      42.769     -39.238       3.531 1514.603128   5.13 0.286 0.667 0.303 0.824     388.020     300.000       6.953    0 
+    910000       91000.00      32.704     -35.023      -2.318 1525.874581   4.87 0.286 0.636 0.326 0.916     296.710     300.000       7.491    0 
+    920000       92000.00      31.161     -39.442      -8.281 1542.818145   5.26 0.286 0.714 0.282 0.933     282.704     300.000       6.678    0 
+    930000       93000.00      29.288     -30.533      -1.245 1606.170906   4.04 0.286 0.600 0.218 0.788     265.717     300.000       7.561    0 
+    940000       94000.00      28.172     -28.861      -0.689 1613.702938   5.12 0.214 0.667 0.455 0.620     255.595     300.000       7.095    0 
+    950000       95000.00      31.274     -42.438     -11.163 1623.802270   5.35 0.357 0.615 0.346 0.788     283.738     300.000       6.696    0 
+    960000       96000.00      33.222     -37.614      -4.392 1638.868668   5.69 0.214 0.625 0.295 0.868     301.405     300.000       7.038    0 
+    970000       97000.00      45.934     -39.225       6.709 1644.253040   4.65 0.143 0.750 0.324 0.967     416.738     300.000       7.090    0 
+    980000       98000.00      27.150     -39.625     -12.475 1650.892842   4.80 0.500 0.417 0.261 1.154     246.316     300.000       7.182    0 
+    990000       99000.00      26.756     -26.039       0.717 1667.825494   4.83 0.214 0.667 0.227 0.488     242.746     300.000       7.622    0 
+   1000000      100000.00      30.338     -42.228     -11.891 1674.490039   4.25 0.286 0.750 0.412 0.405     275.238     300.000       7.198    0 
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB001.stat b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB001.stat
index ea87098..4a58ff9 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB001.stat
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB001.stat
@@ -1,101 +1,101 @@
          0           0.00      30.401      24.828      55.229    0.000000  12.87 0.000   NaN   NaN 0.708     275.816     300.000      15.552    1 
-     10000        1000.00      33.749     -19.008      14.742   27.978519   6.91 0.000 1.000 0.205 0.551     306.192     300.000       9.906    1 
-     20000        2000.00      32.534     -35.508      -2.973   41.500377   4.02 0.143 0.818 0.413 0.744     295.169     300.000       7.008    1 
-     30000        3000.00      29.408     -28.703       0.705   72.941318   5.14 0.071 0.909 0.442 0.675     266.803     300.000       7.332    1 
-     40000        4000.00      32.890     -40.258      -7.368   86.009687   3.06 0.286 0.733 0.385 0.755     298.393     300.000       6.661    1 
-     50000        5000.00      29.567     -15.573      13.994  111.195354   5.20 0.071 0.833 0.432 0.661     268.248     300.000       7.994    1 
-     60000        6000.00      30.993     -23.981       7.012  138.183604   4.48 0.286 0.600 0.550 0.708     281.187     300.000       8.356    1 
-     70000        7000.00      27.910     -24.881       3.029  144.935882   5.19 0.143 0.500 0.170 0.624     253.212     300.000       9.170    1 
-     80000        8000.00      32.887     -26.775       6.112  161.162323   5.03 0.143 0.000 0.341 0.740     298.372     300.000       8.911    1 
-     90000        9000.00      28.004     -33.955      -5.951  162.875264   2.91 0.286 0.667 0.383 0.560     254.066     300.000       6.782    1 
-    100000       10000.00      36.517     -41.785      -5.268  182.906746   3.28 0.286 0.692 0.392 0.922     331.304     300.000       6.684    1 
-    110000       11000.00      24.992     -16.681       8.311  188.582445   7.52 0.071 0.909 0.285 0.782     226.741     300.000       6.823    1 
-    120000       12000.00      34.969     -24.251      10.719  209.429929   5.88 0.143 0.818 0.421 0.623     317.261     300.000       7.171    1 
-    130000       13000.00      35.347     -29.786       5.560  222.693475   5.90 0.214 0.727 0.368 1.067     320.685     300.000       7.324    1 
-    140000       14000.00      33.139     -25.666       7.473  237.571264   5.80 0.214 0.500 0.371 0.681     300.655     300.000       7.259    1 
-    150000       15000.00      36.921     -16.439      20.482  242.307458   6.88 0.143 0.600 0.200 1.099     334.968     300.000       8.361    1 
-    160000       16000.00      27.633     -35.049      -7.416  261.521660   3.06 0.214 0.625 0.267 0.943     250.701     300.000       7.594    1 
-    170000       17000.00      33.326     -25.861       7.465  285.834098   4.49 0.357 0.688 0.332 0.797     302.350     300.000       6.777    1 
-    180000       18000.00      34.192     -40.245      -6.053  298.304127   2.85 0.143 0.714 0.351 0.524     310.207     300.000       7.115    1 
-    190000       19000.00      29.054     -37.820      -8.767  318.582434   3.66 0.286 0.600 0.227 0.733     263.589     300.000       7.534    1 
-    200000       20000.00      31.099     -32.350      -1.251  329.890691   3.63 0.286 0.600 0.264 0.387     282.143     300.000       8.018    1 
-    210000       21000.00      29.698     -28.344       1.353  334.692387   4.06 0.357 0.286 0.370 0.656     269.435     300.000       8.327    1 
-    220000       22000.00      41.417     -37.336       4.081  350.449967   2.72 0.500 0.500 0.269 0.754     375.753     300.000       7.172    1 
-    230000       23000.00      31.737     -40.268      -8.531  357.567177   2.05 0.500 0.588 0.316 0.459     287.939     300.000       7.126    1 
-    240000       24000.00      38.562     -44.066      -5.503  392.495059   3.41 0.214 0.667 0.303 0.603     349.858     300.000       7.562    1 
-    250000       25000.00      27.707     -30.508      -2.801  402.496582   5.59 0.357 0.583 0.360 0.704     251.376     300.000       7.343    1 
-    260000       26000.00      40.775     -34.152       6.624  423.927871   4.70 0.286 0.667 0.356 0.359     369.936     300.000       7.031    1 
-    270000       27000.00      26.181     -30.432      -4.251  435.983094   3.05 0.429 0.400 0.327 0.435     237.527     300.000       6.859    1 
-    280000       28000.00      33.448     -39.515      -6.067  448.092936   2.17 0.429 0.538 0.455 0.449     303.457     300.000       6.958    1 
-    290000       29000.00      32.073     -31.144       0.929  458.034656   4.53 0.286 0.500 0.233 0.883     290.982     300.000       7.666    1 
-    300000       30000.00      31.750     -33.182      -1.432  464.853819   3.31 0.214 0.700 0.305 0.518     288.049     300.000       6.857    1 
-    310000       31000.00      33.101     -38.103      -5.002  479.512068   3.30 0.143 0.750 0.205 0.725     300.309     300.000       7.463    1 
-    320000       32000.00      39.315     -36.820       2.495  511.376980   3.11 0.357 0.500 0.295 0.988     356.683     300.000       6.918    1 
-    330000       33000.00      30.352     -40.854     -10.502  520.418067   2.50 0.500 0.533 0.336 0.513     275.373     300.000       6.916    1 
-    340000       34000.00      34.868     -35.176      -0.307  540.846616   5.17 0.286 0.333 0.159 0.352     316.344     300.000       8.838    1 
-    350000       35000.00      32.753     -38.927      -6.174  557.245555   1.87 0.429 0.625 0.304 0.710     297.149     300.000       6.541    1 
-    360000       36000.00      43.593     -41.440       2.153  564.024597   3.47 0.214 0.700 0.255 0.986     395.496     300.000       7.049    1 
-    370000       37000.00      37.119     -36.157       0.962  576.877372   3.17 0.214 0.625 0.295 0.751     336.765     300.000       6.887    1 
-    380000       38000.00      32.116     -37.867      -5.752  596.713999   3.66 0.357 0.667 0.348 0.483     291.369     300.000       6.892    1 
-    390000       39000.00      26.349     -42.702     -16.353  605.443128   3.21 0.357 0.545 0.326 0.766     239.049     300.000       6.703    1 
-    400000       40000.00      27.936     -38.583     -10.647  608.378212   3.94 0.214 0.700 0.364 0.907     253.450     300.000       7.255    1 
-    410000       41000.00      30.769     -40.762      -9.992  615.329420   4.06 0.286 0.556 0.288 0.709     279.155     300.000       7.019    1 
-    420000       42000.00      27.370     -36.570      -9.200  633.462602   3.99 0.214 0.727 0.351 0.648     248.314     300.000       7.199    1 
-    430000       43000.00      36.568     -40.760      -4.192  649.886509   5.61 0.286 0.733 0.415 1.119     331.767     300.000       6.833    1 
-    440000       44000.00      30.239     -37.256      -7.017  655.479369   5.77 0.286 0.556 0.247 0.554     274.342     300.000       7.207    1 
-    450000       45000.00      31.725     -41.682      -9.956  666.052542   3.97 0.214 0.700 0.391 0.697     287.828     300.000       7.316    1 
-    460000       46000.00      27.418     -37.415      -9.997  670.714197   4.39 0.357 0.615 0.315 1.182     248.749     300.000       6.895    1 
-    470000       47000.00      37.680     -36.307       1.373  696.003197   4.45 0.214 0.769 0.332 0.666     341.848     300.000       6.792    1 
-    480000       48000.00      30.311     -25.372       4.939  707.848634   3.47 0.214 0.769 0.441 0.447     274.996     300.000       7.100    1 
-    490000       49000.00      35.233     -33.068       2.165  716.402956   4.75 0.143 0.778 0.293 1.384     319.649     300.000       7.138    1 
-    500000       50000.00      33.000     -34.888      -1.888  730.602709   3.67 0.214 0.769 0.402 0.719     299.393     300.000       7.107    1 
-    510000       51000.00      34.655     -26.725       7.931  743.665688   3.57 0.143 0.750 0.318 0.753     314.412     300.000       7.218    1 
-    520000       52000.00      33.214     -40.593      -7.379  749.006130   3.26 0.500 0.533 0.345 0.912     301.334     300.000       6.668    1 
-    530000       53000.00      28.616     -33.989      -5.373  767.179146   3.31 0.286 0.667 0.409 0.816     259.618     300.000       6.919    1 
-    540000       54000.00      31.294     -30.304       0.990  793.270774   4.14 0.286 0.750 0.321 1.273     283.914     300.000       6.978    1 
-    550000       55000.00      22.012     -29.280      -7.268  806.117534   3.94 0.286 0.750 0.378 0.641     199.702     300.000       6.582    1 
-    560000       56000.00      33.047     -30.310       2.736  813.543620   4.00 0.286 0.636 0.351 0.562     299.817     300.000       6.872    1 
-    570000       57000.00      33.386     -29.887       3.499  821.132275   3.30 0.143 0.800 0.309 0.610     302.899     300.000       7.032    1 
-    580000       58000.00      35.382     -41.304      -5.922  849.830922   5.81 0.214 0.700 0.205 0.795     321.002     300.000       7.925    1 
-    590000       59000.00      28.741     -27.622       1.118  862.287113   3.43 0.214 0.667 0.227 0.792     260.749     300.000       7.365    1 
-    600000       60000.00      31.873     -32.896      -1.023  872.432459   2.80 0.571 0.273 0.219 0.625     289.169     300.000       7.022    1 
-    610000       61000.00      35.998     -30.329       5.668  879.760407   1.91 0.500 0.417 0.273 0.365     326.589     300.000       7.033    1 
-    620000       62000.00      30.806     -41.677     -10.871  887.938019   4.15 0.143 0.833 0.330 0.534     279.491     300.000       6.759    1 
-    630000       63000.00      35.547     -36.760      -1.213  904.636138   4.71 0.286 0.556 0.293 0.777     322.503     300.000       6.927    1 
-    640000       64000.00      32.518     -37.997      -5.479  936.524791   4.29 0.357 0.667 0.358 0.444     295.018     300.000       6.436    1 
-    650000       65000.00      32.491     -48.990     -16.499  943.304302   4.53 0.286 0.765 0.377 0.831     294.771     300.000       6.695    1 
-    660000       66000.00      32.867     -41.642      -8.775  956.013701   3.95 0.357 0.643 0.419 0.506     298.190     300.000       7.042    1 
-    670000       67000.00      33.611     -40.837      -7.227  991.629480   4.37 0.429 0.600 0.400 1.144     304.932     300.000       6.720    1 
-    680000       68000.00      38.803     -33.868       4.935 1007.318537   3.82 0.286 0.692 0.336 0.594     352.041     300.000       6.661    1 
-    690000       69000.00      32.368     -42.411     -10.043 1034.232296   4.95 0.286 0.636 0.240 1.275     293.660     300.000       6.995    1 
-    700000       70000.00      34.067     -28.299       5.768 1062.671070   3.09 0.214 0.571 0.461 0.962     309.075     300.000       6.569    1 
-    710000       71000.00      33.592     -40.561      -6.969 1088.289308   3.04 0.286 0.667 0.451 0.923     304.762     300.000       6.468    1 
-    720000       72000.00      34.919     -30.565       4.354 1097.313708   3.71 0.286 0.733 0.397 0.631     316.805     300.000       6.257    1 
-    730000       73000.00      32.976     -33.922      -0.946 1110.865770   3.93 0.286 0.714 0.321 0.342     299.176     300.000       6.697    1 
-    740000       74000.00      27.193     -41.395     -14.202 1158.431954   4.60 0.286 0.750 0.398 0.697     246.713     300.000       6.494    1 
-    750000       75000.00      29.699     -43.250     -13.551 1201.656485   6.60 0.357 0.643 0.240 0.583     269.446     300.000       7.561    1 
-    760000       76000.00      35.171     -37.855      -2.684 1226.897734   6.42 0.286 0.600 0.214 0.827     319.090     300.000       7.339    1 
-    770000       77000.00      31.442     -27.865       3.576 1248.191639   5.54 0.214 0.667 0.207 0.696     285.256     300.000       8.061    1 
-    780000       78000.00      31.010     -36.926      -5.916 1256.112977   3.86 0.143 0.800 0.345 0.492     281.342     300.000       6.811    1 
-    790000       79000.00      26.972     -47.189     -20.217 1258.513451   3.13 0.286 0.714 0.390 0.600     244.700     300.000       6.893    1 
-    800000       80000.00      32.279     -35.615      -3.336 1263.354235   3.32 0.214 0.727 0.376 0.510     292.853     300.000       6.622    1 
-    810000       81000.00      36.738     -37.520      -0.782 1267.818548   3.56 0.286 0.556 0.303 0.883     333.305     300.000       7.081    1 
-    820000       82000.00      29.020     -38.265      -9.245 1283.389133   3.81 0.214 0.727 0.310 1.031     263.289     300.000       7.078    1 
-    830000       83000.00      37.407     -32.076       5.332 1319.681090   3.24 0.214 0.625 0.222 0.892     339.380     300.000       6.854    1 
-    840000       84000.00      32.814     -34.322      -1.508 1325.071365   2.78 0.429 0.538 0.360 0.726     297.703     300.000       6.710    1 
-    850000       85000.00      35.921     -26.479       9.442 1336.768095   4.40 0.143 0.857 0.338 0.769     325.894     300.000       6.677    1 
-    860000       86000.00      34.530     -30.068       4.462 1369.491150   3.00 0.214 0.571 0.364 1.623     313.275     300.000       7.239    1 
-    870000       87000.00      34.904     -50.223     -15.319 1377.684939   3.34 0.429 0.647 0.342 1.013     316.667     300.000       6.384    1 
-    880000       88000.00      32.228     -32.432      -0.204 1385.188042   2.79 0.143 0.750 0.369 1.087     292.389     300.000       6.835    1 
-    890000       89000.00      34.035     -41.006      -6.971 1389.807948   3.64 0.357 0.643 0.412 0.833     308.782     300.000       6.760    1 
-    900000       90000.00      30.356     -43.817     -13.461 1396.386686   3.49 0.429 0.538 0.350 0.772     275.409     300.000       6.669    1 
-    910000       91000.00      29.966     -48.531     -18.566 1402.289940   4.86 0.143 0.867 0.321 0.640     271.863     300.000       6.696    1 
-    920000       92000.00      32.843     -32.704       0.139 1412.410496   3.33 0.143 0.778 0.258 0.901     297.965     300.000       7.942    1 
-    930000       93000.00      31.356     -40.457      -9.102 1437.694866   3.53 0.429 0.625 0.290 0.762     284.473     300.000       6.426    1 
-    940000       94000.00      28.060     -37.925      -9.865 1449.527135   3.50 0.071 0.923 0.392 0.738     254.570     300.000       6.965    1 
-    950000       95000.00      34.904     -40.840      -5.936 1471.660003   3.71 0.214 0.750 0.295 0.825     316.667     300.000       6.710    1 
-    960000       96000.00      34.890     -34.247       0.643 1479.141540   2.99 0.500 0.533 0.288 1.092     316.540     300.000       6.852    1 
-    970000       97000.00      33.997     -31.165       2.832 1505.344910   3.15 0.429 0.455 0.434 0.771     308.437     300.000       6.708    1 
-    980000       98000.00      34.683     -40.819      -6.136 1517.889151   3.41 0.286 0.667 0.356 0.790     314.662     300.000       6.485    1 
-    990000       99000.00      30.403     -39.611      -9.209 1538.757221   3.31 0.286 0.733 0.370 0.514     275.828     300.000       6.849    1 
-   1000000      100000.00      48.020     -43.715       4.305 1553.622343   3.22 0.286 0.667 0.409 0.861     435.661     300.000       7.002    1 
+     10000        1000.00      33.034     -18.040      14.994   30.186158   5.12 0.071 0.750 0.364 1.814     299.705     300.000       8.195    1 
+     20000        2000.00      36.936     -29.299       7.637   58.709701   6.06 0.214 0.667 0.409 0.625     335.102     300.000       7.207    1 
+     30000        3000.00      39.894     -25.593      14.302   87.001939   7.47 0.143 0.667 0.212 0.614     361.943     300.000       7.679    1 
+     40000        4000.00      31.739     -38.057      -6.319   92.422569   7.31 0.286 0.429 0.182 0.390     287.950     300.000      10.776    1 
+     50000        5000.00      29.935     -37.406      -7.471  104.236693   4.70 0.286 0.714 0.295 0.789     271.585     300.000       7.206    1 
+     60000        6000.00      28.235     -34.872      -6.637  123.952947   4.72 0.286 0.556 0.232 0.521     256.163     300.000       7.936    1 
+     70000        7000.00      37.814     -20.216      17.598  127.411704   4.73 0.143 0.714 0.338 0.676     343.071     300.000       7.778    1 
+     80000        8000.00      26.301     -29.232      -2.931  140.052216   4.85 0.214 0.750 0.379 0.457     238.615     300.000       7.098    1 
+     90000        9000.00      35.054     -33.561       1.493  166.953653   4.94 0.214 0.667 0.313 0.804     318.031     300.000       7.525    1 
+    100000       10000.00      30.530     -30.987      -0.457  174.263100   5.37 0.214 0.727 0.380 0.782     276.982     300.000       8.070    1 
+    110000       11000.00      35.985     -24.487      11.498  226.720631   5.81 0.214 0.727 0.285 0.614     326.473     300.000       7.279    1 
+    120000       12000.00      38.225     -26.472      11.752  256.418208   3.93 0.071 0.750 0.386 0.547     346.795     300.000       8.214    1 
+    130000       13000.00      20.289     -24.687      -4.397  268.922505   5.67 0.143 0.750 0.301 0.737     184.074     300.000       7.248    1 
+    140000       14000.00      33.052     -34.738      -1.686  279.210511   5.34 0.143 0.667 0.402 1.198     299.861     300.000       7.395    1 
+    150000       15000.00      38.723     -37.967       0.756  281.337568   4.28 0.286 0.667 0.299 1.107     351.313     300.000       6.996    1 
+    160000       16000.00      33.820     -36.973      -3.153  304.046836   4.67 0.286 0.600 0.300 0.634     306.835     300.000       7.325    1 
+    170000       17000.00      37.746     -34.896       2.850  311.553669   5.33 0.286 0.667 0.314 0.540     342.452     300.000       6.841    1 
+    180000       18000.00      31.753     -37.949      -6.196  323.223348   3.23 0.214 0.727 0.310 0.649     288.080     300.000       7.179    1 
+    190000       19000.00      33.677     -37.432      -3.755  340.882192   3.88 0.143 0.667 0.311 0.597     305.536     300.000       7.537    1 
+    200000       20000.00      32.698     -33.146      -0.448  366.115377   4.80 0.214 0.625 0.335 0.669     296.656     300.000       7.386    1 
+    210000       21000.00      34.396     -41.533      -7.137  402.921840   5.05 0.357 0.667 0.385 0.537     312.060     300.000       6.954    1 
+    220000       22000.00      26.877     -33.166      -6.289  433.085552   4.18 0.286 0.556 0.500 0.831     243.842     300.000       7.269    1 
+    230000       23000.00      32.037     -32.235      -0.198  433.932087   4.24 0.214 0.667 0.328 0.633     290.653     300.000       7.306    1 
+    240000       24000.00      26.749     -25.708       1.041  444.121597   5.06 0.214 0.667 0.379 1.259     242.679     300.000       7.357    1 
+    250000       25000.00      38.225     -34.368       3.857  454.725789   5.80 0.286 0.750 0.324 0.517     346.795     300.000       7.065    1 
+    260000       26000.00      25.422     -43.303     -17.881  489.893884   3.48 0.357 0.545 0.339 0.615     230.638     300.000       7.218    1 
+    270000       27000.00      34.974     -39.259      -4.286  521.632213   4.82 0.214 0.750 0.383 0.507     317.300     300.000       6.682    1 
+    280000       28000.00      35.237     -32.428       2.809  534.377404   4.92 0.214 0.625 0.290 0.638     319.685     300.000       7.503    1 
+    290000       29000.00      29.649     -24.514       5.135  563.629553   5.12 0.143 0.818 0.384 1.291     268.991     300.000       7.319    1 
+    300000       30000.00      31.632     -36.058      -4.427  570.132217   4.83 0.214 0.727 0.260 0.736     286.977     300.000       7.343    1 
+    310000       31000.00      25.069     -25.424      -0.356  572.200494   3.84 0.214 0.769 0.262 0.639     227.436     300.000       6.819    1 
+    320000       32000.00      34.656     -37.785      -3.129  587.899799   5.02 0.357 0.615 0.301 0.735     314.415     300.000       6.955    1 
+    330000       33000.00      30.939     -44.537     -13.599  599.307445   4.34 0.143 0.800 0.300 0.577     280.691     300.000       6.897    1 
+    340000       34000.00      42.040     -38.682       3.358  621.333659   4.35 0.357 0.667 0.352 0.756     381.404     300.000       7.141    1 
+    350000       35000.00      33.724     -42.599      -8.874  646.195735   4.87 0.143 0.882 0.433 0.750     305.966     300.000       6.697    1 
+    360000       36000.00      31.078     -36.291      -5.213  660.499338   5.27 0.286 0.692 0.283 0.585     281.953     300.000       6.670    1 
+    370000       37000.00      35.971     -41.378      -5.407  666.448206   4.52 0.429 0.571 0.240 0.591     326.343     300.000       7.240    1 
+    380000       38000.00      34.049     -37.274      -3.224  693.285676   4.03 0.214 0.625 0.409 0.360     308.913     300.000       7.473    1 
+    390000       39000.00      34.289     -36.009      -1.720  709.301584   4.62 0.357 0.583 0.364 1.102     311.084     300.000       6.986    1 
+    400000       40000.00      38.802     -44.611      -5.810  710.856740   5.47 0.286 0.692 0.322 0.934     352.028     300.000       7.268    1 
+    410000       41000.00      32.222     -36.205      -3.983  715.418383   5.40 0.214 0.667 0.318 0.665     292.339     300.000       6.853    1 
+    420000       42000.00      39.744     -34.573       5.171  744.236674   5.93 0.214 0.667 0.247 0.568     360.581     300.000       7.408    1 
+    430000       43000.00      40.471     -34.339       6.132  751.760493   6.33 0.357 0.688 0.321 0.685     367.177     300.000       6.872    1 
+    440000       44000.00      32.949     -36.110      -3.161  765.326592   6.54 0.357 0.375 0.250 0.781     298.934     300.000       6.938    1 
+    450000       45000.00      39.757     -29.527      10.230  775.061768   5.92 0.214 0.667 0.399 0.551     360.697     300.000       7.025    1 
+    460000       46000.00      42.854     -34.763       8.091  797.750831   5.35 0.286 0.667 0.364 1.736     388.796     300.000       7.045    1 
+    470000       47000.00      32.879     -38.400      -5.522  826.675216   5.78 0.143 0.778 0.328 0.578     298.292     300.000       7.246    1 
+    480000       48000.00      37.562     -30.483       7.079  852.031249   5.51 0.214 0.625 0.284 0.739     340.784     300.000       7.446    1 
+    490000       49000.00      40.243     -37.784       2.459  871.793049   4.46 0.286 0.667 0.254 1.184     365.102     300.000       7.279    1 
+    500000       50000.00      35.347     -33.563       1.784  891.983295   4.06 0.214 0.571 0.221 0.806     320.682     300.000       7.377    1 
+    510000       51000.00      36.390     -39.575      -3.184  897.103420   5.14 0.286 0.733 0.294 1.633     330.151     300.000       6.219    1 
+    520000       52000.00      34.879     -25.839       9.040  914.953635   5.03 0.143 0.750 0.273 0.442     316.443     300.000       6.788    1 
+    530000       53000.00      30.706     -25.171       5.535  928.039921   5.86 0.143 0.800 0.291 1.161     278.577     300.000       6.981    1 
+    540000       54000.00      33.782     -37.895      -4.113  958.925558   5.65 0.286 0.600 0.264 0.654     306.483     300.000       7.389    1 
+    550000       55000.00      21.568     -22.777      -1.209  970.275343   5.98 0.286 0.556 0.207 0.582     195.680     300.000       7.282    1 
+    560000       56000.00      36.915     -43.020      -6.105  979.212312   5.26 0.286 0.556 0.197 0.941     334.909     300.000       7.356    1 
+    570000       57000.00      28.154     -31.557      -3.403  982.845883   5.51 0.429 0.600 0.324 0.533     255.432     300.000       6.703    1 
+    580000       58000.00      30.212     -26.672       3.540 1001.105237   4.38 0.143 0.750 0.307 0.638     274.097     300.000       7.019    1 
+    590000       59000.00      28.950     -38.001      -9.051 1020.768331   5.36 0.357 0.688 0.267 1.081     262.648     300.000       6.900    1 
+    600000       60000.00      33.695     -33.401       0.294 1040.785663   5.17 0.214 0.571 0.351 1.313     305.699     300.000       7.262    1 
+    610000       61000.00      31.937     -37.236      -5.299 1049.832826   5.61 0.214 0.786 0.231 0.714     289.750     300.000       6.741    1 
+    620000       62000.00      39.496     -39.438       0.059 1066.481462   5.40 0.214 0.667 0.288 0.386     358.330     300.000       7.140    1 
+    630000       63000.00      35.295     -38.156      -2.861 1069.102742   5.04 0.071 0.833 0.402 0.558     320.215     300.000       7.254    1 
+    640000       64000.00      30.646     -28.357       2.288 1081.738454   5.28 0.357 0.643 0.393 0.875     278.035     300.000       6.608    1 
+    650000       65000.00      37.662     -33.008       4.654 1094.735795   3.97 0.214 0.667 0.303 0.479     341.692     300.000       7.823    1 
+    660000       66000.00      38.544     -38.917      -0.374 1118.115836   5.29 0.429 0.625 0.250 0.687     349.688     300.000       6.961    1 
+    670000       67000.00      25.098     -28.115      -3.017 1132.919790   4.26 0.357 0.545 0.269 0.443     227.700     300.000       6.799    1 
+    680000       68000.00      30.200     -43.688     -13.488 1165.362616   4.94 0.286 0.714 0.315 0.550     273.992     300.000       6.938    1 
+    690000       69000.00      24.760     -43.824     -19.064 1193.138393   3.48 0.357 0.667 0.403 0.480     224.632     300.000       6.512    1 
+    700000       70000.00      41.498     -32.618       8.880 1193.857108   3.37 0.357 0.643 0.273 0.570     376.492     300.000       6.867    1 
+    710000       71000.00      32.222     -36.109      -3.887 1222.008900   4.54 0.286 0.667 0.227 0.696     292.333     300.000       7.438    1 
+    720000       72000.00      36.961     -39.560      -2.598 1230.810439   4.08 0.429 0.538 0.360 0.267     335.333     300.000       6.743    1 
+    730000       73000.00      33.942     -26.910       7.031 1238.078332   4.04 0.214 0.500 0.189 0.560     307.937     300.000       7.453    1 
+    740000       74000.00      25.179     -35.476     -10.298 1262.892890   3.59 0.214 0.727 0.244 0.576     228.436     300.000       7.587    1 
+    750000       75000.00      34.752     -37.792      -3.040 1291.951111   3.91 0.286 0.667 0.311 0.960     315.286     300.000       6.907    1 
+    760000       76000.00      30.721     -26.580       4.141 1298.803591   3.75 0.143 0.500 0.205 0.863     278.718     300.000       7.722    1 
+    770000       77000.00      24.892     -29.406      -4.514 1302.573709   3.82 0.286 0.714 0.250 0.621     225.831     300.000       6.660    1 
+    780000       78000.00      30.216     -38.991      -8.775 1318.358679   2.54 0.429 0.455 0.215 0.703     274.133     300.000       6.939    1 
+    790000       79000.00      29.126     -32.234      -3.108 1331.649695   3.80 0.214 0.800 0.403 1.351     264.242     300.000       6.802    1 
+    800000       80000.00      36.292     -39.394      -3.103 1335.508791   4.51 0.143 0.818 0.298 0.630     329.257     300.000       6.742    1 
+    810000       81000.00      32.828     -36.499      -3.671 1341.206027   3.90 0.357 0.643 0.419 1.007     297.832     300.000       6.586    1 
+    820000       82000.00      26.555     -47.786     -21.230 1365.175517   2.95 0.357 0.667 0.321 1.043     240.925     300.000       6.776    1 
+    830000       83000.00      29.891     -43.335     -13.444 1383.324547   3.88 0.286 0.733 0.330 0.969     271.188     300.000       7.012    1 
+    840000       84000.00      31.279     -36.512      -5.233 1401.836654   3.38 0.429 0.571 0.334 0.811     283.778     300.000       6.667    1 
+    850000       85000.00      28.060     -41.431     -13.370 1422.819256   3.05 0.571 0.467 0.370 1.116     254.578     300.000       6.788    1 
+    860000       86000.00      32.751     -39.701      -6.950 1446.830065   4.23 0.286 0.667 0.341 0.655     297.136     300.000       6.713    1 
+    870000       87000.00      31.639     -44.237     -12.599 1461.734196   2.51 0.286 0.500 0.381 0.581     287.042     300.000       6.774    1 
+    880000       88000.00      37.109     -37.232      -0.123 1474.694520   2.65 0.357 0.643 0.367 0.988     336.673     300.000       6.732    1 
+    890000       89000.00      37.895     -39.043      -1.147 1506.735534   3.41 0.357 0.706 0.353 0.899     343.805     300.000       6.548    1 
+    900000       90000.00      32.193     -46.111     -13.917 1518.168701   3.93 0.500 0.562 0.395 1.025     292.076     300.000       6.309    1 
+    910000       91000.00      37.931     -30.419       7.512 1559.665601   3.80 0.286 0.556 0.369 1.127     344.131     300.000       6.846    1 
+    920000       92000.00      35.882     -37.725      -1.843 1574.147994   2.64 0.571 0.385 0.290 0.581     325.538     300.000       7.042    1 
+    930000       93000.00      40.434     -33.748       6.686 1609.990198   3.10 0.500 0.462 0.294 0.751     366.838     300.000       6.922    1 
+    940000       94000.00      30.129     -33.917      -3.789 1641.281112   5.25 0.214 0.500 0.220 0.707     273.342     300.000       8.135    1 
+    950000       95000.00      40.082     -24.087      15.994 1663.991022   4.63 0.143 0.667 0.250 0.366     363.643     300.000       8.284    1 
+    960000       96000.00      34.092     -41.938      -7.846 1673.885256   5.39 0.071 0.900 0.323 0.557     309.297     300.000       7.094    1 
+    970000       97000.00      32.255     -30.555       1.699 1701.113763   4.10 0.143 0.714 0.318 0.843     292.632     300.000       7.575    1 
+    980000       98000.00      34.657     -31.125       3.532 1721.853758   4.45 0.214 0.769 0.371 0.425     314.426     300.000       7.413    1 
+    990000       99000.00      35.661     -38.659      -2.998 1752.705135   4.75 0.071 0.938 0.312 0.692     323.537     300.000       6.819    1 
+   1000000      100000.00      37.450     -32.009       5.441 1767.118389   5.07 0.214 0.800 0.412 1.084     339.763     300.000       6.999    1 
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB002.stat b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB002.stat
index 98933b9..17e4efc 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB002.stat
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB002.stat
@@ -1,101 +1,101 @@
          0           0.00      33.444      24.828      58.272    0.000000  12.87 0.000   NaN   NaN 0.708     303.422     300.000      15.552    2 
-     10000        1000.00      29.869     -12.832      17.037   13.237922  11.48 0.000 1.000 0.136 0.867     270.990     300.000      14.929    2 
-     20000        2000.00      31.291      -7.966      23.325   37.771150  10.76 0.000   NaN   NaN 0.505     283.884     300.000      15.085    2 
-     30000        3000.00      26.070      -8.776      17.295   68.195353   9.84 0.000 1.000 0.273 0.557     236.524     300.000      12.963    2 
-     40000        4000.00      31.300     -26.045       5.256  109.210693   7.02 0.143 0.800 0.350 0.597     283.974     300.000       6.980    2 
-     50000        5000.00      25.361     -33.916      -8.555  166.155304   7.30 0.071 0.900 0.359 0.589     230.085     300.000       6.705    2 
-     60000        6000.00      29.021     -31.179      -2.158  195.926159   6.96 0.071 0.889 0.278 0.681     263.291     300.000       6.961    2 
-     70000        7000.00      34.884     -42.442      -7.558  213.030550   4.57 0.143 0.778 0.323 0.874     316.486     300.000       7.304    2 
-     80000        8000.00      33.635     -30.101       3.534  242.837658   6.05 0.071 0.857 0.351 0.628     305.154     300.000       7.004    2 
-     90000        9000.00      29.938     -30.880      -0.942  256.417276   4.15 0.214 0.700 0.273 0.768     271.611     300.000       7.313    2 
-    100000       10000.00      34.529     -35.731      -1.202  268.148391   3.65 0.214 0.750 0.288 0.579     313.262     300.000       6.912    2 
-    110000       11000.00      42.760     -25.977      16.783  280.470753   4.84 0.143 0.750 0.250 0.847     387.939     300.000       7.202    2 
-    120000       12000.00      31.057     -34.603      -3.545  287.568700   4.92 0.214 0.667 0.313 0.802     281.769     300.000       7.290    2 
-    130000       13000.00      37.357     -35.936       1.420  307.464162   3.97 0.286 0.692 0.434 0.887     338.918     300.000       6.969    2 
-    140000       14000.00      27.148     -29.924      -2.777  314.924652   3.01 0.143 0.818 0.310 0.581     246.297     300.000       7.823    2 
-    150000       15000.00      32.821     -40.322      -7.501  334.378625   3.77 0.286 0.692 0.304 0.479     297.765     300.000       6.452    2 
-    160000       16000.00      27.653     -35.346      -7.693  355.548882   3.44 0.214 0.625 0.312 0.931     250.878     300.000       6.788    2 
-    170000       17000.00      36.586     -41.580      -4.994  375.575195   6.29 0.357 0.615 0.252 0.575     331.924     300.000       8.016    2 
-    180000       18000.00      28.929     -33.236      -4.307  382.781923   5.99 0.214 0.769 0.224 0.869     262.459     300.000       7.598    2 
-    190000       19000.00      25.880     -30.157      -4.277  399.250175   6.91 0.286 0.500 0.210 0.858     234.796     300.000       7.592    2 
-    200000       20000.00      37.790     -38.721      -0.931  406.681125   6.38 0.286 0.556 0.217 0.730     342.852     300.000       8.103    2 
-    210000       21000.00      30.724     -44.039     -13.315  423.428035   6.57 0.357 0.583 0.220 0.692     278.742     300.000       7.156    2 
-    220000       22000.00      30.274     -39.653      -9.379  455.897992   4.08 0.286 0.636 0.248 0.739     274.665     300.000       7.314    2 
-    230000       23000.00      40.977     -30.132      10.845  477.284315   6.60 0.214 0.700 0.205 0.655     371.764     300.000       7.623    2 
-    240000       24000.00      34.320     -35.713      -1.394  478.716180   6.62 0.357 0.643 0.198 0.599     311.365     300.000       7.810    2 
-    250000       25000.00      28.263     -32.061      -3.799  497.806620   6.78 0.143 0.714 0.253 1.050     256.412     300.000       7.445    2 
-    260000       26000.00      31.487     -30.913       0.574  501.045626   4.81 0.000 1.000 0.442 1.065     285.666     300.000       7.941    2 
-    270000       27000.00      30.475     -38.915      -8.440  514.943369   4.32 0.071 0.833 0.280 0.994     276.489     300.000       7.999    2 
-    280000       28000.00      34.982     -32.603       2.379  525.333547   5.17 0.143 0.667 0.205 0.865     317.373     300.000       8.439    2 
-    290000       29000.00      28.764     -33.767      -5.003  539.287089   3.99 0.071 0.875 0.398 1.066     260.963     300.000       7.294    2 
-    300000       30000.00      33.462     -31.516       1.946  542.311539   4.87 0.286 0.500 0.330 0.639     303.587     300.000       7.539    2 
-    310000       31000.00      30.848     -31.767      -0.919  558.099764   6.37 0.286 0.636 0.277 0.652     279.866     300.000       6.860    2 
-    320000       32000.00      38.250     -39.841      -1.591  572.680390   6.29 0.214 0.769 0.350 0.589     347.024     300.000       6.780    2 
-    330000       33000.00      37.245     -40.999      -3.754  575.309030   5.84 0.214 0.700 0.318 0.239     337.903     300.000       7.178    2 
-    340000       34000.00      36.032     -34.438       1.594  587.021668   6.25 0.071 0.889 0.232 0.517     326.901     300.000       7.384    2 
-    350000       35000.00      28.203     -30.792      -2.589  594.245497   6.74 0.286 0.600 0.223 0.713     255.874     300.000       7.510    2 
-    360000       36000.00      29.389     -35.684      -6.295  599.746353   5.42 0.071 0.667 0.182 0.442     266.635     300.000       8.116    2 
-    370000       37000.00      34.940     -39.064      -4.124  604.857469   6.18 0.214 0.750 0.364 1.339     316.989     300.000       6.653    2 
-    380000       38000.00      30.761     -26.883       3.878  617.419752   5.43 0.143 0.846 0.283 0.282     279.079     300.000       7.041    2 
-    390000       39000.00      38.778     -46.427      -7.649  628.715512   4.96 0.214 0.786 0.269 0.599     351.816     300.000       7.088    2 
-    400000       40000.00      32.381     -32.843      -0.462  639.654844   4.55 0.286 0.692 0.276 1.359     293.779     300.000       7.032    2 
-    410000       41000.00      29.560     -34.062      -4.502  648.864160   5.19 0.357 0.444 0.298 0.449     268.182     300.000       7.344    2 
-    420000       42000.00      33.135     -39.811      -6.676  657.193781   5.07 0.286 0.636 0.355 0.901     300.622     300.000       6.755    2 
-    430000       43000.00      36.216     -33.233       2.984  671.444279   5.09 0.357 0.375 0.273 0.713     328.574     300.000       7.513    2 
-    440000       44000.00      28.711     -41.088     -12.377  688.702858   5.32 0.214 0.625 0.335 0.861     260.483     300.000       7.016    2 
-    450000       45000.00      41.141     -38.817       2.324  728.115926   4.35 0.214 0.700 0.355 0.456     373.251     300.000       7.651    2 
-    460000       46000.00      26.458     -44.010     -17.552  756.450436   5.06 0.214 0.667 0.283 0.755     240.041     300.000       6.992    2 
-    470000       47000.00      31.812     -32.626      -0.814  762.145772   5.37 0.071 0.875 0.205 0.943     288.616     300.000       8.233    2 
-    480000       48000.00      32.651     -34.832      -2.181  786.846222   7.00 0.214 0.727 0.231 0.583     296.226     300.000       7.460    2 
-    490000       49000.00      30.365     -38.422      -8.057  815.108007   6.77 0.143 0.778 0.247 0.776     275.490     300.000       6.976    2 
-    500000       50000.00      28.807     -39.684     -10.877  824.222563   3.92 0.214 0.571 0.169 0.449     261.349     300.000       8.160    2 
-    510000       51000.00      29.103     -34.750      -5.647  835.062098   2.92 0.286 0.600 0.232 0.894     264.038     300.000       7.217    2 
-    520000       52000.00      34.453     -47.554     -13.100  853.639323   3.95 0.214 0.824 0.334 0.429     312.579     300.000       7.304    2 
-    530000       53000.00      37.628     -44.365      -6.737  887.973619   4.15 0.214 0.769 0.315 0.607     341.378     300.000       7.496    2 
-    540000       54000.00      35.884     -29.873       6.011  908.763608   4.98 0.143 0.778 0.242 0.589     325.562     300.000       8.084    2 
-    550000       55000.00      30.288     -37.490      -7.202  917.613717   3.90 0.214 0.571 0.390 0.903     274.788     300.000       7.990    2 
-    560000       56000.00      28.980     -40.089     -11.109  927.638476   4.15 0.357 0.615 0.353 0.690     262.922     300.000       7.381    2 
-    570000       57000.00      29.470     -32.148      -2.677  953.011662   3.36 0.429 0.455 0.347 0.699     267.370     300.000       6.968    2 
-    580000       58000.00      32.611     -36.937      -4.326  972.255122   3.74 0.286 0.733 0.315 0.523     295.867     300.000       7.042    2 
-    590000       59000.00      30.572     -33.662      -3.090  983.673984   3.48 0.429 0.538 0.238 0.711     277.361     300.000       7.455    2 
-    600000       60000.00      26.047     -30.134      -4.087 1011.375139   4.96 0.214 0.769 0.259 0.764     236.310     300.000       6.810    2 
-    610000       61000.00      40.561     -29.911      10.650 1038.001922   3.61 0.214 0.571 0.182 0.587     367.993     300.000       8.069    2 
-    620000       62000.00      39.565     -45.493      -5.928 1055.457988   3.48 0.214 0.700 0.282 0.414     358.958     300.000       6.853    2 
-    630000       63000.00      44.837     -38.449       6.388 1076.012661   3.34 0.357 0.545 0.368 0.457     406.783     300.000       6.771    2 
-    640000       64000.00      36.353     -38.652      -2.299 1080.614305   3.12 0.286 0.714 0.315 1.023     329.811     300.000       6.761    2 
-    650000       65000.00      33.603     -33.926      -0.323 1083.456346   3.62 0.286 0.692 0.336 0.805     304.860     300.000       6.533    2 
-    660000       66000.00      27.785     -28.726      -0.941 1095.471307   4.16 0.143 0.833 0.223 0.844     252.076     300.000       6.913    2 
-    670000       67000.00      30.186     -44.070     -13.884 1115.800662   3.83 0.429 0.625 0.389 0.646     273.864     300.000       6.281    2 
-    680000       68000.00      28.934     -36.012      -7.078 1145.756038   3.25 0.429 0.600 0.324 1.086     262.502     300.000       6.589    2 
-    690000       69000.00      35.292     -38.813      -3.521 1168.403046   3.09 0.429 0.600 0.382 0.687     320.185     300.000       6.865    2 
-    700000       70000.00      34.514     -45.827     -11.313 1181.561448   3.11 0.500 0.462 0.343 0.836     313.127     300.000       6.497    2 
-    710000       71000.00      37.723     -30.946       6.776 1185.147149   2.79 0.286 0.667 0.220 0.998     342.240     300.000       7.189    2 
-    720000       72000.00      29.261     -35.168      -5.907 1200.464144   2.63 0.429 0.455 0.236 0.720     265.472     300.000       6.896    2 
-    730000       73000.00      38.920     -28.885      10.035 1212.294523   3.08 0.357 0.545 0.413 0.596     353.104     300.000       6.766    2 
-    740000       74000.00      29.784     -39.234      -9.450 1232.489144   3.01 0.357 0.375 0.205 0.485     270.218     300.000       7.628    2 
-    750000       75000.00      30.126     -16.853      13.274 1241.740405   4.08 0.286 0.429 0.208 0.812     273.322     300.000       7.446    2 
-    760000       76000.00      33.714     -28.518       5.197 1250.861315   7.19 0.214 0.667 0.232 0.558     305.875     300.000       7.378    2 
-    770000       77000.00      29.355     -35.934      -6.578 1274.334824   4.23 0.357 0.583 0.223 0.912     266.326     300.000       7.681    2 
-    780000       78000.00      27.263     -33.804      -6.541 1284.165897   6.32 0.214 0.727 0.293 0.824     247.344     300.000       7.007    2 
-    790000       79000.00      34.543     -34.045       0.499 1295.591901   5.42 0.286 0.556 0.232 0.573     313.396     300.000       6.926    2 
-    800000       80000.00      28.652     -40.408     -11.756 1314.239599   4.83 0.500 0.533 0.330 0.934     259.949     300.000       6.831    2 
-    810000       81000.00      31.806     -47.290     -15.485 1317.575547   5.17 0.286 0.692 0.283 0.492     288.558     300.000       7.251    2 
-    820000       82000.00      27.971     -39.115     -11.144 1323.082955   6.80 0.286 0.692 0.234 0.585     253.768     300.000       6.985    2 
-    830000       83000.00      31.958     -33.400      -1.442 1332.755068   5.60 0.143 0.714 0.325 0.795     289.942     300.000       7.054    2 
-    840000       84000.00      29.763     -29.799      -0.036 1352.584144   5.93 0.143 0.714 0.214 1.152     270.029     300.000       9.008    2 
-    850000       85000.00      37.253     -33.659       3.593 1378.750550   6.69 0.214 0.700 0.250 0.545     337.974     300.000       7.748    2 
-    860000       86000.00      33.465     -37.385      -3.919 1392.003459   6.94 0.214 0.625 0.193 0.977     303.615     300.000       7.975    2 
-    870000       87000.00      26.935     -27.677      -0.742 1408.238342   5.67 0.143 0.714 0.214 0.516     244.366     300.000       8.054    2 
-    880000       88000.00      34.031     -36.507      -2.476 1410.525965   4.40 0.286 0.600 0.227 1.291     308.747     300.000       7.489    2 
-    890000       89000.00      30.789     -33.259      -2.471 1417.422034   3.78 0.214 0.667 0.298 0.489     279.329     300.000       7.202    2 
-    900000       90000.00      29.697     -36.035      -6.339 1451.157120   3.88 0.357 0.583 0.371 0.798     269.423     300.000       6.495    2 
-    910000       91000.00      31.320     -31.145       0.175 1460.951749   2.85 0.571 0.200 0.259 0.594     284.150     300.000       7.276    2 
-    920000       92000.00      34.683     -33.422       1.261 1483.277061   3.12 0.286 0.500 0.392 0.651     314.661     300.000       7.091    2 
-    930000       93000.00      27.967     -32.134      -4.167 1489.951449   2.79 0.286 0.636 0.298 1.025     253.730     300.000       6.632    2 
-    940000       94000.00      33.186     -49.019     -15.833 1521.992691   4.16 0.357 0.706 0.428 0.480     301.084     300.000       6.414    2 
-    950000       95000.00      34.529     -35.976      -1.448 1531.991637   3.44 0.214 0.727 0.388 0.742     313.262     300.000       6.813    2 
-    960000       96000.00      31.588     -38.457      -6.869 1548.455024   2.59 0.286 0.636 0.269 0.637     286.585     300.000       6.737    2 
-    970000       97000.00      28.672     -39.355     -10.683 1571.245651   3.29 0.357 0.500 0.200 1.258     260.127     300.000       6.901    2 
-    980000       98000.00      41.621     -41.019       0.601 1584.304596   3.02 0.357 0.500 0.268 0.884     377.604     300.000       6.692    2 
-    990000       99000.00      39.011     -35.101       3.910 1606.970691   3.10 0.214 0.625 0.267 0.747     353.925     300.000       6.833    2 
-   1000000      100000.00      42.071     -35.138       6.933 1617.279688   4.16 0.357 0.643 0.399 0.873     381.694     300.000       6.350    2 
+     10000        1000.00      35.236     -17.124      18.112   11.378036   4.25 0.143 0.778 0.495 0.948     319.677     300.000       7.647    2 
+     20000        2000.00      31.267     -27.152       4.115   36.549967   5.18 0.143 0.667 0.455 0.683     283.671     300.000       8.074    2 
+     30000        3000.00      34.525     -35.396      -0.871   67.347169   4.21 0.214 0.400 0.145 0.759     313.227     300.000       8.501    2 
+     40000        4000.00      35.492     -20.185      15.307   80.526727   7.12 0.143 0.714 0.188 0.732     322.003     300.000       9.606    2 
+     50000        5000.00      37.306     -31.133       6.173   88.795233   5.76 0.143 0.600 0.182 1.414     338.459     300.000       9.025    2 
+     60000        6000.00      33.724     -38.265      -4.541  102.551951   4.69 0.286 0.636 0.364 0.707     305.965     300.000       7.461    2 
+     70000        7000.00      31.461     -27.662       3.799  105.635058   8.25 0.071 0.667 0.152 0.591     285.430     300.000      10.890    2 
+     80000        8000.00      31.030     -34.317      -3.287  122.312447   3.87 0.357 0.545 0.219 0.549     281.525     300.000       7.644    2 
+     90000        9000.00      27.895     -38.686     -10.791  123.434592   5.95 0.357 0.545 0.186 0.552     253.079     300.000       8.099    2 
+    100000       10000.00      32.949     -35.879      -2.930  147.744035   6.98 0.286 0.600 0.218 0.702     298.930     300.000       8.028    2 
+    110000       11000.00      26.965     -20.923       6.041  190.412631   5.98 0.286 0.556 0.217 0.987     244.637     300.000       8.296    2 
+    120000       12000.00      29.474     -41.917     -12.443  203.634817   6.12 0.357 0.615 0.241 0.663     267.401     300.000       7.365    2 
+    130000       13000.00      35.233     -38.457      -3.224  222.224138   6.15 0.214 0.625 0.193 0.626     319.654     300.000       8.073    2 
+    140000       14000.00      33.422     -39.897      -6.476  238.916373   6.53 0.214 0.700 0.227 1.191     303.218     300.000       7.343    2 
+    150000       15000.00      27.641     -29.650      -2.009  266.225635   6.35 0.286 0.556 0.217 0.870     250.777     300.000       7.549    2 
+    160000       16000.00      27.012     -26.127       0.885  295.615302   6.43 0.214 0.571 0.169 0.853     245.064     300.000       9.096    2 
+    170000       17000.00      33.466     -39.909      -6.443  311.508540   7.38 0.214 0.727 0.264 1.216     303.618     300.000       7.413    2 
+    180000       18000.00      29.003     -33.401      -4.398  319.902641   7.11 0.143 0.778 0.258 0.941     263.131     300.000       7.333    2 
+    190000       19000.00      33.540     -39.632      -6.091  365.074155   5.54 0.429 0.538 0.217 0.961     304.294     300.000       6.949    2 
+    200000       20000.00      34.942     -34.904       0.038  388.654862   5.65 0.357 0.583 0.311 0.720     317.010     300.000       7.289    2 
+    210000       21000.00      32.396     -39.454      -7.059  400.688874   4.96 0.143 0.750 0.261 0.304     293.910     300.000       6.784    2 
+    220000       22000.00      27.790     -39.540     -11.750  416.235852   5.25 0.143 0.833 0.348 0.661     252.127     300.000       7.073    2 
+    230000       23000.00      34.613     -33.384       1.228  427.314856   5.28 0.143 0.818 0.281 0.858     314.024     300.000       6.841    2 
+    240000       24000.00      36.657     -36.530       0.126  439.313712   4.85 0.214 0.750 0.246 0.496     332.567     300.000       6.952    2 
+    250000       25000.00      23.008     -47.056     -24.048  439.941387   5.35 0.071 0.917 0.292 0.387     208.737     300.000       6.854    2 
+    260000       26000.00      40.442     -33.277       7.166  439.927943   6.77 0.214 0.700 0.232 0.996     366.912     300.000       7.691    2 
+    270000       27000.00      33.889     -42.668      -8.779  482.077118   5.95 0.286 0.636 0.202 0.615     307.457     300.000       7.791    2 
+    280000       28000.00      26.772     -28.392      -1.620  496.219447   5.97 0.143 0.750 0.273 0.870     242.889     300.000       7.189    2 
+    290000       29000.00      35.666     -29.363       6.303  525.888546   4.23 0.357 0.545 0.343 0.281     323.577     300.000       6.774    2 
+    300000       30000.00      35.455     -29.195       6.261  549.815484   5.02 0.143 0.500 0.227 0.858     321.667     300.000       8.448    2 
+    310000       31000.00      27.060     -34.691      -7.631  565.078277   2.93 0.429 0.538 0.238 0.585     245.503     300.000       7.071    2 
+    320000       32000.00      28.999     -26.389       2.609  585.769634   3.54 0.214 0.667 0.263 0.821     263.089     300.000       7.692    2 
+    330000       33000.00      30.287     -45.675     -15.389  599.444538   3.09 0.214 0.750 0.250 1.075     274.778     300.000       7.143    2 
+    340000       34000.00      30.351     -37.233      -6.881  606.642848   3.32 0.214 0.800 0.255 0.711     275.363     300.000       6.944    2 
+    350000       35000.00      37.229     -36.235       0.994  615.664467   3.40 0.286 0.714 0.295 0.655     337.759     300.000       7.245    2 
+    360000       36000.00      36.260     -40.855      -4.595  627.650639   4.32 0.429 0.600 0.333 0.740     328.970     300.000       6.960    2 
+    370000       37000.00      25.604     -30.496      -4.892  665.988752   3.18 0.357 0.688 0.344 0.551     232.295     300.000       7.298    2 
+    380000       38000.00      28.702     -29.502      -0.800  672.800248   3.77 0.286 0.667 0.348 0.828     260.401     300.000       7.014    2 
+    390000       39000.00      37.141     -44.209      -7.068  690.269312   4.29 0.214 0.769 0.325 1.482     336.962     300.000       6.806    2 
+    400000       40000.00      33.653     -38.758      -5.105  693.076254   3.97 0.214 0.700 0.314 0.746     305.319     300.000       7.297    2 
+    410000       41000.00      35.860     -43.244      -7.384  701.559830   3.98 0.214 0.667 0.384 1.517     325.341     300.000       7.317    2 
+    420000       42000.00      26.368     -42.268     -15.900  712.099524   4.02 0.286 0.600 0.386 0.944     239.225     300.000       7.324    2 
+    430000       43000.00      34.568     -20.875      13.693  718.929889   4.90 0.214 0.727 0.384 1.202     313.622     300.000       7.078    2 
+    440000       44000.00      37.232     -40.109      -2.877  742.131049   3.50 0.214 0.800 0.352 0.349     337.791     300.000       7.241    2 
+    450000       45000.00      31.466     -39.117      -7.651  762.943282   4.46 0.214 0.727 0.231 0.730     285.475     300.000       7.291    2 
+    460000       46000.00      32.298     -41.411      -9.113  769.068204   3.99 0.214 0.812 0.347 0.613     293.028     300.000       6.590    2 
+    470000       47000.00      35.205     -39.926      -4.721  784.734759   4.27 0.214 0.786 0.253 1.087     319.396     300.000       6.981    2 
+    480000       48000.00      32.865     -37.516      -4.652  798.268563   4.75 0.143 0.889 0.318 1.039     298.165     300.000       6.645    2 
+    490000       49000.00      31.536     -37.686      -6.149  799.746416   4.39 0.143 0.750 0.364 0.264     286.115     300.000       7.434    2 
+    500000       50000.00      35.488     -33.346       2.142  803.717969   3.74 0.429 0.538 0.444 0.636     321.966     300.000       6.935    2 
+    510000       51000.00      38.251     -47.552      -9.301  803.734742   3.55 0.571 0.529 0.353 0.846     347.034     300.000       6.759    2 
+    520000       52000.00      31.895     -38.959      -7.064  821.062773   3.27 0.500 0.562 0.355 0.990     289.366     300.000       6.560    2 
+    530000       53000.00      34.015     -38.229      -4.214  833.247521   3.07 0.214 0.667 0.217 0.678     308.604     300.000       7.676    2 
+    540000       54000.00      38.967     -39.732      -0.765  842.770836   4.15 0.286 0.636 0.331 0.879     353.531     300.000       7.048    2 
+    550000       55000.00      34.066     -44.455     -10.389  871.639182   2.42 0.500 0.417 0.242 0.683     309.065     300.000       6.977    2 
+    560000       56000.00      24.448     -30.423      -5.976  873.500422   2.62 0.214 0.700 0.268 0.534     221.801     300.000       6.868    2 
+    570000       57000.00      35.984     -45.614      -9.630  882.861694   3.42 0.286 0.429 0.429 0.969     326.464     300.000       7.282    2 
+    580000       58000.00      31.012     -34.620      -3.607  893.742505   3.15 0.357 0.545 0.343 0.619     281.359     300.000       6.700    2 
+    590000       59000.00      25.319     -35.398     -10.079  912.417521   3.95 0.143 0.882 0.380 0.551     229.711     300.000       6.644    2 
+    600000       60000.00      31.800     -31.397       0.403  921.731794   3.55 0.071 0.857 0.338 0.789     288.506     300.000       7.065    2 
+    610000       61000.00      33.725     -32.629       1.095  950.435952   3.62 0.214 0.727 0.438 0.548     305.967     300.000       6.762    2 
+    620000       62000.00      27.531     -43.139     -15.608  975.876473   3.17 0.429 0.600 0.312 0.946     249.776     300.000       6.890    2 
+    630000       63000.00      29.452     -39.640     -10.188  989.290565   3.72 0.286 0.600 0.291 1.152     267.204     300.000       6.910    2 
+    640000       64000.00      29.329     -41.232     -11.902 1021.335630   3.24 0.357 0.583 0.333 0.684     266.092     300.000       6.982    2 
+    650000       65000.00      38.396     -37.262       1.134 1023.700242   3.96 0.214 0.786 0.370 1.051     348.348     300.000       6.935    2 
+    660000       66000.00      36.906     -43.051      -6.146 1048.953356   3.46 0.286 0.733 0.418 0.458     334.827     300.000       6.677    2 
+    670000       67000.00      38.534     -37.974       0.560 1064.896991   3.35 0.357 0.583 0.360 0.567     349.602     300.000       6.711    2 
+    680000       68000.00      29.002     -35.250      -6.248 1067.923479   2.98 0.214 0.727 0.306 0.463     263.123     300.000       6.600    2 
+    690000       69000.00      33.790     -36.617      -2.827 1078.112387   3.47 0.286 0.600 0.368 0.485     306.562     300.000       7.304    2 
+    700000       70000.00      42.940     -29.653      13.287 1113.103595   5.99 0.071 0.889 0.374 0.754     389.572     300.000       8.398    2 
+    710000       71000.00      35.968     -29.751       6.217 1173.393516   3.94 0.286 0.429 0.416 1.492     326.319     300.000       7.251    2 
+    720000       72000.00      24.973     -36.420     -11.447 1196.762705   4.59 0.214 0.727 0.269 0.402     226.569     300.000       7.585    2 
+    730000       73000.00      33.478     -35.606      -2.128 1241.884394   5.24 0.071 0.900 0.345 0.976     303.734     300.000       7.326    2 
+    740000       74000.00      27.463     -46.657     -19.194 1252.039393   4.58 0.357 0.500 0.355 0.522     249.155     300.000       7.243    2 
+    750000       75000.00      32.658     -42.264      -9.606 1252.660310   5.77 0.286 0.600 0.323 0.646     296.287     300.000       7.155    2 
+    760000       76000.00      30.278     -47.583     -17.305 1276.647925   5.87 0.071 0.923 0.367 0.598     274.697     300.000       6.699    2 
+    770000       77000.00      29.190     -37.727      -8.537 1291.959653   6.02 0.143 0.750 0.392 0.527     264.826     300.000       6.914    2 
+    780000       78000.00      30.727     -34.177      -3.450 1324.894616   5.00 0.214 0.667 0.283 0.544     278.767     300.000       7.250    2 
+    790000       79000.00      30.569     -34.996      -4.427 1334.408154   4.57 0.214 0.667 0.237 0.408     277.333     300.000       7.920    2 
+    800000       80000.00      36.084     -43.752      -7.668 1349.107249   5.11 0.143 0.867 0.358 0.686     327.374     300.000       7.102    2 
+    810000       81000.00      37.206     -20.297      16.910 1360.469755   7.18 0.143 0.667 0.167 0.852     337.555     300.000      10.655    2 
+    820000       82000.00      33.207     -33.209      -0.002 1367.321980   5.14 0.214 0.750 0.345 1.072     301.275     300.000       7.291    2 
+    830000       83000.00      29.399     -29.310       0.089 1409.490181   4.04 0.143 0.818 0.269 0.709     266.721     300.000       7.485    2 
+    840000       84000.00      35.778     -31.166       4.613 1431.671134   3.43 0.357 0.583 0.235 0.658     324.597     300.000       7.055    2 
+    850000       85000.00      33.313     -42.742      -9.429 1434.730820   3.82 0.286 0.667 0.280 0.794     302.231     300.000       6.969    2 
+    860000       86000.00      39.081     -35.546       3.535 1457.250539   4.21 0.357 0.643 0.302 1.527     354.559     300.000       7.049    2 
+    870000       87000.00      47.447     -41.484       5.963 1458.299350   3.56 0.357 0.545 0.252 0.555     430.465     300.000       6.808    2 
+    880000       88000.00      38.609     -40.244      -1.635 1471.483172   3.75 0.286 0.500 0.295 0.690     350.279     300.000       7.008    2 
+    890000       89000.00      33.846     -41.502      -7.656 1483.664659   3.60 0.357 0.545 0.252 0.760     307.065     300.000       6.969    2 
+    900000       90000.00      33.572     -44.975     -11.403 1503.824529   3.95 0.286 0.636 0.380 1.128     304.581     300.000       6.773    2 
+    910000       91000.00      23.896     -35.236     -11.340 1523.681245   3.61 0.357 0.706 0.356 0.762     216.801     300.000       7.091    2 
+    920000       92000.00      30.322     -36.110      -5.788 1541.637497   3.39 0.357 0.643 0.383 0.647     275.100     300.000       7.189    2 
+    930000       93000.00      26.308     -41.073     -14.764 1568.436285   2.74 0.500 0.533 0.279 0.816     238.684     300.000       6.537    2 
+    940000       94000.00      32.663     -41.676      -9.013 1577.438902   2.90 0.286 0.636 0.289 0.517     296.333     300.000       7.073    2 
+    950000       95000.00      44.770     -30.412      14.358 1594.987561   4.42 0.214 0.571 0.455 0.395     406.178     300.000       7.919    2 
+    960000       96000.00      34.821     -41.252      -6.431 1601.357493   4.55 0.286 0.636 0.380 0.538     315.916     300.000       6.877    2 
+    970000       97000.00      27.887     -35.407      -7.520 1652.833901   4.05 0.429 0.667 0.333 0.601     253.007     300.000       6.739    2 
+    980000       98000.00      32.194     -23.102       9.092 1653.535235   5.36 0.214 0.667 0.227 0.390     292.076     300.000       8.007    2 
+    990000       99000.00      32.792     -32.172       0.619 1671.740108   4.27 0.357 0.615 0.497 0.883     297.503     300.000       6.366    2 
+   1000000      100000.00      31.502     -45.798     -14.296 1680.809781   3.34 0.500 0.632 0.297 0.701     285.804     300.000       6.431    2 
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB003.stat b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB003.stat
index f46bf65..642ef25 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB003.stat
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB003.stat
@@ -1,101 +1,101 @@
          0           0.00      28.343      24.828      53.171    0.000000  12.87 0.000   NaN   NaN 0.708     257.144     300.000      15.552    3 
-     10000        1000.00      38.879     -14.248      24.630   41.173340   9.92 0.071 0.500 0.182 0.632     352.727     300.000      14.133    3 
-     20000        2000.00      25.479     -33.427      -7.948   56.746195   6.13 0.286 0.600 0.250 1.129     231.156     300.000       9.118    3 
-     30000        3000.00      36.281     -31.687       4.594   60.411464   4.30 0.214 0.700 0.427 0.584     329.164     300.000       7.405    3 
-     40000        4000.00      37.308     -29.252       8.056   78.066869   4.53 0.286 0.667 0.277 0.661     338.479     300.000       7.428    3 
-     50000        5000.00      31.213     -31.538      -0.325   84.404130   4.23 0.214 0.625 0.489 0.989     283.179     300.000       7.519    3 
-     60000        6000.00      32.093     -23.624       8.469   99.861907   8.06 0.286 0.200 0.145 0.729     291.163     300.000      10.014    3 
-     70000        7000.00      29.472     -33.170      -3.698  117.055693   5.76 0.357 0.545 0.190 1.044     267.387     300.000       8.682    3 
-     80000        8000.00      35.740     -39.753      -4.013  140.698557   4.48 0.143 0.778 0.338 0.435     324.251     300.000       7.258    3 
-     90000        9000.00      28.516     -39.061     -10.546  160.882829   4.83 0.214 0.786 0.386 0.708     258.709     300.000       6.880    3 
-    100000       10000.00      33.384     -23.328      10.056  167.359812   4.58 0.143 0.667 0.242 1.620     302.877     300.000       8.084    3 
-    110000       11000.00      32.605     -34.051      -1.446  193.949645   5.19 0.286 0.600 0.255 0.655     295.806     300.000       7.031    3 
-    120000       12000.00      32.391     -30.940       1.451  205.812137   4.70 0.143 0.800 0.259 0.702     293.868     300.000       7.157    3 
-    130000       13000.00      37.600     -27.593      10.006  219.180790   3.60 0.214 0.500 0.258 0.661     341.124     300.000       7.537    3 
-    140000       14000.00      24.045     -45.187     -21.142  231.313875   2.64 0.571 0.500 0.318 0.908     218.147     300.000       6.736    3 
-    150000       15000.00      34.770     -39.083      -4.313  265.135639   3.76 0.286 0.750 0.355 1.134     315.447     300.000       6.542    3 
-    160000       16000.00      34.000     -49.677     -15.677  269.549668   2.35 0.500 0.462 0.290 0.576     308.465     300.000       6.671    3 
-    170000       17000.00      32.989     -26.604       6.385  288.110523   4.29 0.357 0.500 0.264 0.786     299.294     300.000       7.025    3 
-    180000       18000.00      32.755     -34.643      -1.888  323.736029   3.78 0.500 0.500 0.328 0.574     297.167     300.000       6.433    3 
-    190000       19000.00      38.447     -27.943      10.504  342.613459   3.10 0.357 0.375 0.188 0.477     348.814     300.000       7.743    3 
-    200000       20000.00      40.523     -33.945       6.578  346.825951   3.51 0.286 0.636 0.298 0.915     367.643     300.000       7.091    3 
-    210000       21000.00      32.044     -19.415      12.629  362.110966   6.86 0.143 0.750 0.239 1.049     290.721     300.000       8.206    3 
-    220000       22000.00      28.163     -33.571      -5.408  362.240905   5.32 0.214 0.700 0.232 1.000     255.507     300.000       7.257    3 
-    230000       23000.00      39.503     -32.778       6.726  371.284935   5.00 0.214 0.625 0.193 0.497     358.395     300.000       7.572    3 
-    240000       24000.00      23.269     -40.412     -17.143  391.457514   3.94 0.214 0.700 0.205 0.584     211.110     300.000       7.485    3 
-    250000       25000.00      31.062     -39.408      -8.346  399.328292   4.48 0.214 0.571 0.221 1.316     281.813     300.000       7.399    3 
-    260000       26000.00      31.068     -31.839      -0.771  418.910082   4.86 0.214 0.667 0.217 0.693     281.868     300.000       7.689    3 
-    270000       27000.00      34.250     -30.055       4.195  434.879131   6.03 0.143 0.833 0.318 0.842     310.730     300.000       7.191    3 
-    280000       28000.00      33.118     -41.392      -8.275  460.991897   5.80 0.214 0.786 0.276 0.424     300.460     300.000       7.106    3 
-    290000       29000.00      35.154     -41.968      -6.814  484.772878   5.92 0.214 0.750 0.311 0.643     318.936     300.000       7.132    3 
-    300000       30000.00      44.038     -42.430       1.609  502.117847   5.75 0.143 0.833 0.311 0.676     399.539     300.000       6.832    3 
-    310000       31000.00      31.124     -42.089     -10.965  526.952830   5.13 0.214 0.812 0.315 0.698     282.373     300.000       6.922    3 
-    320000       32000.00      40.885     -42.829      -1.944  532.913432   6.06 0.214 0.769 0.301 0.713     370.929     300.000       6.580    3 
-    330000       33000.00      29.832     -29.875      -0.043  554.876648   5.20 0.071 0.800 0.200 0.884     270.654     300.000       7.680    3 
-    340000       34000.00      31.007     -38.245      -7.239  586.718260   5.48 0.214 0.667 0.242 0.699     281.309     300.000       7.276    3 
-    350000       35000.00      32.550     -37.679      -5.128  599.532076   5.49 0.357 0.643 0.364 1.312     295.315     300.000       6.801    3 
-    360000       36000.00      31.711     -33.804      -2.093  647.797130   6.52 0.214 0.667 0.263 0.575     287.695     300.000       7.252    3 
-    370000       37000.00      30.696     -33.159      -2.463  651.677595   6.61 0.214 0.727 0.285 1.058     278.494     300.000       6.718    3 
-    380000       38000.00      31.399     -27.031       4.367  661.374676   4.86 0.214 0.750 0.314 0.578     284.864     300.000       6.636    3 
-    390000       39000.00      29.768     -37.972      -8.204  670.370460   4.63 0.214 0.667 0.177 1.001     270.073     300.000       7.352    3 
-    400000       40000.00      31.477     -37.108      -5.631  706.766530   4.84 0.357 0.375 0.216 1.205     285.575     300.000       7.598    3 
-    410000       41000.00      37.323     -37.807      -0.484  725.844824   5.49 0.286 0.556 0.192 0.926     338.616     300.000       7.113    3 
-    420000       42000.00      36.409     -46.805     -10.396  745.117431   4.96 0.286 0.667 0.341 0.943     330.322     300.000       6.719    3 
-    430000       43000.00      30.346     -28.210       2.136  745.983278   5.61 0.143 0.750 0.312 0.443     275.312     300.000       6.964    3 
-    440000       44000.00      41.329     -43.007      -1.679  769.970718   5.97 0.429 0.455 0.227 0.712     374.955     300.000       7.111    3 
-    450000       45000.00      31.535     -41.171      -9.637  794.062181   5.28 0.286 0.636 0.310 1.111     286.099     300.000       7.034    3 
-    460000       46000.00      38.372     -34.511       3.861  809.350316   5.74 0.286 0.636 0.256 1.125     348.129     300.000       7.201    3 
-    470000       47000.00      33.461     -40.125      -6.664  820.822536   5.64 0.286 0.556 0.263 0.434     303.577     300.000       6.766    3 
-    480000       48000.00      33.634     -40.332      -6.698  833.618800   5.30 0.143 0.714 0.279 0.455     305.143     300.000       7.204    3 
-    490000       49000.00      32.218     -33.360      -1.142  842.621807   5.52 0.214 0.750 0.330 0.848     292.302     300.000       7.094    3 
-    500000       50000.00      21.359     -39.718     -18.359  859.253345   5.80 0.143 0.714 0.286 0.502     193.778     300.000       7.239    3 
-    510000       51000.00      28.000     -36.846      -8.845  891.724394   5.20 0.286 0.667 0.258 0.575     254.035     300.000       6.908    3 
-    520000       52000.00      35.427     -43.119      -7.692  932.578653   5.90 0.357 0.545 0.289 0.665     321.410     300.000       7.141    3 
-    530000       53000.00      26.080     -44.741     -18.662  941.128143   5.13 0.214 0.800 0.273 0.507     236.607     300.000       6.678    3 
-    540000       54000.00      39.524     -36.770       2.754  957.717461   4.38 0.214 0.727 0.409 0.551     358.583     300.000       7.368    3 
-    550000       55000.00      31.257     -37.957      -6.700  969.507141   5.44 0.143 0.750 0.386 0.471     283.581     300.000       7.106    3 
-    560000       56000.00      28.359     -34.678      -6.319  993.689836   4.92 0.214 0.812 0.361 0.496     257.288     300.000       7.088    3 
-    570000       57000.00      35.296     -30.230       5.066 1008.053543   5.80 0.286 0.636 0.364 0.759     320.223     300.000       7.291    3 
-    580000       58000.00      28.025     -28.437      -0.412 1048.758878   4.80 0.214 0.500 0.227 0.498     254.257     300.000       7.317    3 
-    590000       59000.00      23.464     -26.073      -2.609 1069.469892   6.93 0.143 0.750 0.267 1.292     212.875     300.000       7.353    3 
-    600000       60000.00      26.585     -30.034      -3.450 1087.189951   4.99 0.286 0.556 0.207 0.462     241.190     300.000       7.260    3 
-    610000       61000.00      30.348     -34.125      -3.777 1136.983806   5.21 0.143 0.714 0.247 0.447     275.333     300.000       7.794    3 
-    620000       62000.00      26.011     -38.773     -12.762 1148.163484   5.59 0.214 0.700 0.250 0.829     235.989     300.000       7.636    3 
-    630000       63000.00      32.546     -38.381      -5.835 1159.290579   4.26 0.143 0.778 0.253 1.099     295.270     300.000       7.246    3 
-    640000       64000.00      30.778     -41.266     -10.488 1164.872446   4.67 0.286 0.636 0.388 0.366     279.236     300.000       6.850    3 
-    650000       65000.00      29.892     -23.989       5.904 1177.133661   4.65 0.071 0.833 0.242 0.614     271.200     300.000       7.788    3 
-    660000       66000.00      36.333     -25.581      10.752 1189.447610   4.53 0.143 0.667 0.364 0.846     329.634     300.000       7.288    3 
-    670000       67000.00      32.722     -36.353      -3.631 1215.024391   4.37 0.286 0.692 0.255 0.501     296.871     300.000       7.158    3 
-    680000       68000.00      27.387     -26.086       1.302 1215.899881   4.82 0.214 0.667 0.323 1.089     248.472     300.000       7.318    3 
-    690000       69000.00      35.928     -47.825     -11.897 1225.228958   5.33 0.357 0.643 0.266 1.299     325.960     300.000       7.032    3 
-    700000       70000.00      31.797     -29.649       2.148 1244.094888   5.66 0.214 0.625 0.273 0.347     288.480     300.000       7.301    3 
-    710000       71000.00      28.596     -40.555     -11.959 1256.176412   4.97 0.214 0.667 0.288 0.649     259.438     300.000       7.549    3 
-    720000       72000.00      37.647     -41.684      -4.037 1262.621312   5.69 0.357 0.706 0.345 0.577     341.549     300.000       6.875    3 
-    730000       73000.00      35.539     -43.720      -8.181 1280.385042   6.78 0.286 0.636 0.281 0.719     322.432     300.000       7.354    3 
-    740000       74000.00      35.485     -37.742      -2.257 1293.357039   6.53 0.214 0.625 0.233 1.034     321.934     300.000       7.389    3 
-    750000       75000.00      35.830     -26.420       9.411 1307.160592   5.79 0.286 0.556 0.167 0.523     325.072     300.000       8.644    3 
-    760000       76000.00      40.543     -39.131       1.412 1315.388447   7.53 0.286 0.556 0.192 0.711     367.831     300.000       8.349    3 
-    770000       77000.00      26.722     -34.560      -7.838 1324.533524   2.81 0.357 0.545 0.281 0.530     242.438     300.000       6.981    3 
-    780000       78000.00      34.286     -42.284      -7.998 1329.437845   3.19 0.429 0.600 0.297 0.458     311.064     300.000       6.555    3 
-    790000       79000.00      28.588     -37.495      -8.907 1344.698179   2.23 0.357 0.615 0.339 1.251     259.361     300.000       6.592    3 
-    800000       80000.00      30.049     -41.316     -11.267 1350.627591   3.76 0.500 0.500 0.286 0.721     272.620     300.000       6.945    3 
-    810000       81000.00      26.553     -38.902     -12.350 1417.220205   2.67 0.429 0.538 0.266 1.440     240.899     300.000       6.770    3 
-    820000       82000.00      34.219     -28.563       5.656 1428.880598   6.45 0.214 0.625 0.210 0.440     310.455     300.000       7.607    3 
-    830000       83000.00      43.780     -42.388       1.392 1430.675703   5.84 0.357 0.500 0.200 0.748     397.195     300.000       7.990    3 
-    840000       84000.00      33.626     -40.754      -7.128 1466.307475   6.09 0.286 0.667 0.201 0.424     305.072     300.000       7.696    3 
-    850000       85000.00      40.884     -27.050      13.834 1471.590180   7.20 0.143 0.714 0.234 1.196     370.917     300.000       7.349    3 
-    860000       86000.00      31.606     -33.357      -1.751 1488.406522   6.21 0.214 0.625 0.222 0.713     286.746     300.000       8.711    3 
-    870000       87000.00      33.145     -31.686       1.459 1507.966029   7.47 0.214 0.571 0.188 0.937     300.712     300.000      10.729    3 
-    880000       88000.00      31.698     -27.040       4.658 1515.113607   6.07 0.286 0.556 0.197 0.524     287.584     300.000       8.663    3 
-    890000       89000.00      38.601     -35.279       3.323 1534.082355   4.31 0.286 0.636 0.256 0.320     350.211     300.000       7.170    3 
-    900000       90000.00      41.866     -37.606       4.260 1559.156324   3.93 0.357 0.643 0.282 1.877     379.826     300.000       7.139    3 
-    910000       91000.00      28.719     -33.506      -4.787 1559.844375   3.99 0.214 0.667 0.253 0.902     260.558     300.000       7.659    3 
-    920000       92000.00      38.512     -37.572       0.940 1566.437659   3.72 0.143 0.800 0.414 1.322     349.399     300.000       7.247    3 
-    930000       93000.00      37.169     -38.145      -0.976 1574.462345   3.25 0.357 0.545 0.211 0.968     337.215     300.000       7.332    3 
-    940000       94000.00      32.666     -24.868       7.798 1598.525523   3.75 0.357 0.444 0.348 0.360     296.363     300.000       7.618    3 
-    950000       95000.00      31.050     -28.445       2.605 1608.711725   3.87 0.429 0.455 0.190 1.097     281.697     300.000       7.769    3 
-    960000       96000.00      30.550     -36.312      -5.762 1623.387885   4.73 0.214 0.571 0.221 0.816     277.166     300.000       7.616    3 
-    970000       97000.00      28.708     -28.781      -0.073 1636.236091   4.79 0.143 0.818 0.347 0.492     260.458     300.000       7.486    3 
-    980000       98000.00      31.041     -31.286      -0.244 1640.795492   4.81 0.286 0.600 0.323 0.751     281.621     300.000       6.780    3 
-    990000       99000.00      39.396     -38.160       1.237 1645.210844   5.72 0.286 0.500 0.176 0.433     357.425     300.000       9.248    3 
-   1000000      100000.00      23.831     -16.040       7.791 1655.622441   6.30 0.143 0.714 0.227 0.897     216.210     300.000      10.175    3 
+     10000        1000.00      34.584     -11.227      23.357   40.195118  10.22 0.071 0.000 0.227 0.536     313.768     300.000      12.259    3 
+     20000        2000.00      31.702     -10.438      21.264   64.833852   7.47 0.000 1.000 0.288 0.685     287.619     300.000       9.600    3 
+     30000        3000.00      35.859     -13.418      22.441   85.534780   5.80 0.000 1.000 0.352 0.612     325.335     300.000       9.555    3 
+     40000        4000.00      30.693     -27.405       3.288  102.302587   6.16 0.000 1.000 0.515 0.732     278.464     300.000       9.331    3 
+     50000        5000.00      34.523     -28.835       5.689  145.371832   6.10 0.071 0.800 0.382 0.414     313.213     300.000       8.571    3 
+     60000        6000.00      31.877     -23.502       8.375  204.623993   5.93 0.214 0.667 0.490 0.998     289.201     300.000       7.815    3 
+     70000        7000.00      25.024     -28.088      -3.063  237.841796   6.73 0.143 0.818 0.413 0.664     227.033     300.000       7.761    3 
+     80000        8000.00      30.499     -25.854       4.645  253.537471   6.27 0.071 0.800 0.391 0.231     276.703     300.000       8.150    3 
+     90000        9000.00      34.148     -28.652       5.496  278.038767   5.14 0.214 0.727 0.459 0.503     309.804     300.000       7.226    3 
+    100000       10000.00      40.162     -29.247      10.915  306.559949   4.62 0.071 0.750 0.170 1.170     364.366     300.000       7.858    3 
+    110000       11000.00      36.510     -31.999       4.511  318.283012   4.90 0.071 0.909 0.236 0.412     331.241     300.000       7.333    3 
+    120000       12000.00      34.344     -23.590      10.754  325.087715   5.73 0.000 1.000 0.386 0.640     311.585     300.000       7.215    3 
+    130000       13000.00      42.832     -26.330      16.503  355.110234   5.37 0.214 0.571 0.292 0.795     388.598     300.000       7.094    3 
+    140000       14000.00      30.772     -20.372      10.399  373.489848   7.38 0.143 0.600 0.309 0.678     279.178     300.000       9.900    3 
+    150000       15000.00      28.794     -27.426       1.368  390.761826   6.03 0.143 0.714 0.390 0.584     261.234     300.000       7.610    3 
+    160000       16000.00      32.657     -26.630       6.028  428.396223   5.04 0.214 0.700 0.245 0.470     296.284     300.000       6.829    3 
+    170000       17000.00      37.639     -19.450      18.189  461.498787   5.86 0.071 0.857 0.351 0.730     341.483     300.000       6.836    3 
+    180000       18000.00      25.962     -31.718      -5.756  478.773689   4.51 0.214 0.700 0.468 0.779     235.544     300.000       7.076    3 
+    190000       19000.00      38.546     -31.787       6.759  482.638085   5.74 0.143 0.857 0.321 1.268     349.709     300.000       7.191    3 
+    200000       20000.00      32.041     -42.597     -10.556  493.869977   4.65 0.286 0.692 0.294 0.624     290.697     300.000       6.828    3 
+    210000       21000.00      33.062     -43.157     -10.094  501.767969   5.39 0.214 0.700 0.232 0.687     299.958     300.000       6.795    3 
+    220000       22000.00      32.556     -34.816      -2.260  523.909809   5.57 0.071 0.857 0.338 0.584     295.364     300.000       6.995    3 
+    230000       23000.00      34.602     -33.373       1.229  554.652835   5.60 0.143 0.846 0.413 0.650     313.932     300.000       6.834    3 
+    240000       24000.00      30.790     -40.092      -9.301  568.211605   5.36 0.214 0.750 0.352 0.493     279.343     300.000       6.672    3 
+    250000       25000.00      31.904     -42.562     -10.657  598.391903   4.52 0.143 0.778 0.268 0.611     289.454     300.000       7.190    3 
+    260000       26000.00      37.662     -43.651      -5.989  613.558220   6.19 0.143 0.818 0.318 0.580     341.686     300.000       6.702    3 
+    270000       27000.00      33.129     -33.471      -0.342  617.543372   5.13 0.286 0.500 0.278 0.617     300.565     300.000       6.888    3 
+    280000       28000.00      33.578     -40.161      -6.583  626.702984   5.45 0.214 0.800 0.309 0.368     304.638     300.000       6.559    3 
+    290000       29000.00      32.676     -35.472      -2.797  642.409801   6.42 0.357 0.545 0.264 0.670     296.451     300.000       7.243    3 
+    300000       30000.00      27.237     -36.770      -9.534  653.867276   4.94 0.214 0.667 0.227 0.818     247.105     300.000       7.176    3 
+    310000       31000.00      36.533     -36.080       0.453  662.265612   5.23 0.286 0.714 0.240 0.599     331.442     300.000       6.642    3 
+    320000       32000.00      34.733     -31.168       3.566  709.200931   5.79 0.143 0.750 0.347 0.745     315.120     300.000       7.112    3 
+    330000       33000.00      29.004     -36.073      -7.070  728.118656   6.79 0.214 0.727 0.256 0.906     263.137     300.000       7.243    3 
+    340000       34000.00      28.070     -38.817     -10.747  736.959756   5.15 0.214 0.625 0.199 0.440     254.669     300.000       7.399    3 
+    350000       35000.00      37.787     -46.888      -9.101  775.656166   5.53 0.286 0.667 0.341 0.824     342.819     300.000       6.833    3 
+    360000       36000.00      30.159     -38.111      -7.952  780.174879   5.32 0.357 0.667 0.348 0.681     273.620     300.000       6.783    3 
+    370000       37000.00      30.979     -31.807      -0.828  792.109960   4.59 0.214 0.727 0.388 0.805     281.061     300.000       7.242    3 
+    380000       38000.00      35.832     -33.162       2.669  823.786336   5.49 0.214 0.625 0.295 0.872     325.083     300.000       7.355    3 
+    390000       39000.00      26.705     -31.301      -4.595  834.851956   5.96 0.357 0.667 0.318 0.296     242.285     300.000       6.787    3 
+    400000       40000.00      40.403     -30.289      10.113  845.341672   4.24 0.214 0.700 0.277 1.062     366.554     300.000       6.863    3 
+    410000       41000.00      39.438     -27.612      11.826  867.458796   4.40 0.143 0.667 0.220 0.608     357.802     300.000       8.133    3 
+    420000       42000.00      39.683     -38.452       1.231  913.853785   4.03 0.143 0.778 0.283 0.363     360.026     300.000       7.501    3 
+    430000       43000.00      30.021     -25.227       4.794  933.310666   7.17 0.286 0.556 0.263 0.657     272.369     300.000      10.076    3 
+    440000       44000.00      37.025     -29.017       8.008  948.094496   6.62 0.143 0.600 0.155 0.852     335.909     300.000      10.319    3 
+    450000       45000.00      26.298     -41.115     -14.816  952.606038   4.84 0.143 0.800 0.305 0.739     238.591     300.000       7.045    3 
+    460000       46000.00      37.621     -33.758       3.862  963.935259   5.16 0.143 0.833 0.451 1.421     341.314     300.000       6.824    3 
+    470000       47000.00      27.570     -35.338      -7.768  993.484310   4.63 0.143 0.818 0.347 0.676     250.130     300.000       7.315    3 
+    480000       48000.00      30.576     -45.286     -14.710 1009.334175   5.26 0.286 0.692 0.413 0.295     277.403     300.000       7.065    3 
+    490000       49000.00      35.055     -45.098     -10.043 1024.625113   5.39 0.286 0.636 0.335 0.480     318.040     300.000       7.059    3 
+    500000       50000.00      36.180     -30.972       5.208 1035.012390   4.54 0.214 0.571 0.318 0.608     328.241     300.000       7.159    3 
+    510000       51000.00      27.151     -32.344      -5.193 1039.808582   4.64 0.143 0.778 0.273 1.099     246.324     300.000       7.766    3 
+    520000       52000.00      24.022     -35.772     -11.750 1050.676469   4.67 0.071 0.909 0.421 0.436     217.936     300.000       7.394    3 
+    530000       53000.00      30.758     -42.686     -11.928 1053.294283   4.40 0.286 0.600 0.236 0.655     279.051     300.000       7.640    3 
+    540000       54000.00      32.937     -41.484      -8.547 1070.424790   4.61 0.214 0.812 0.349 0.491     298.824     300.000       6.878    3 
+    550000       55000.00      33.040     -36.092      -3.052 1079.810928   4.84 0.214 0.750 0.269 0.911     299.758     300.000       7.305    3 
+    560000       56000.00      35.497     -37.882      -2.385 1102.669160   4.36 0.286 0.714 0.377 0.413     322.050     300.000       6.920    3 
+    570000       57000.00      29.934     -33.162      -3.229 1114.645862   4.17 0.214 0.700 0.250 0.293     271.574     300.000       7.391    3 
+    580000       58000.00      30.528     -34.988      -4.461 1116.658232   5.21 0.214 0.700 0.391 0.688     276.962     300.000       6.973    3 
+    590000       59000.00      35.765     -38.952      -3.187 1124.687822   6.47 0.071 0.917 0.295 0.331     324.478     300.000       6.590    3 
+    600000       60000.00      38.684     -34.650       4.034 1141.667994   4.37 0.214 0.700 0.355 0.877     350.959     300.000       7.496    3 
+    610000       61000.00      39.525     -32.958       6.568 1162.350664   4.91 0.214 0.700 0.345 0.671     358.593     300.000       7.089    3 
+    620000       62000.00      32.606     -31.677       0.929 1176.965499   4.11 0.143 0.750 0.261 0.334     295.816     300.000       7.057    3 
+    630000       63000.00      35.856     -45.505      -9.649 1189.340895   5.04 0.286 0.765 0.374 0.670     325.305     300.000       6.431    3 
+    640000       64000.00      29.040     -44.927     -15.887 1210.141802   4.69 0.286 0.733 0.467 0.745     263.467     300.000       6.501    3 
+    650000       65000.00      33.639     -41.630      -7.991 1217.309893   5.05 0.214 0.769 0.378 0.684     305.193     300.000       6.935    3 
+    660000       66000.00      28.172     -39.551     -11.379 1220.762060   4.79 0.286 0.692 0.444 0.375     255.588     300.000       7.066    3 
+    670000       67000.00      25.906     -43.864     -17.958 1224.366061   3.79 0.286 0.692 0.318 0.517     235.031     300.000       6.833    3 
+    680000       68000.00      33.051     -32.997       0.054 1244.245147   5.64 0.214 0.786 0.438 0.185     299.858     300.000       6.834    3 
+    690000       69000.00      28.131     -33.655      -5.524 1245.030549   4.63 0.357 0.615 0.318 0.685     255.220     300.000       6.749    3 
+    700000       70000.00      39.056     -29.526       9.530 1287.059653   4.98 0.214 0.800 0.321 1.000     354.334     300.000       7.714    3 
+    710000       71000.00      30.391     -31.535      -1.143 1319.671818   4.80 0.214 0.667 0.303 0.632     275.727     300.000       7.771    3 
+    720000       72000.00      30.976     -30.335       0.640 1320.314410   4.24 0.143 0.846 0.280 0.644     281.026     300.000       7.769    3 
+    730000       73000.00      38.576     -34.385       4.192 1325.534818   6.12 0.286 0.333 0.182 0.742     349.984     300.000       8.791    3 
+    740000       74000.00      39.371     -23.176      16.196 1348.985789   7.82 0.286 0.429 0.221 0.680     357.197     300.000       9.417    3 
+    750000       75000.00      27.705     -32.765      -5.060 1362.440298   8.65 0.286 0.333 0.182 1.187     251.352     300.000      11.085    3 
+    760000       76000.00      31.483     -28.231       3.252 1369.670854   6.32 0.214 0.500 0.189 0.479     285.630     300.000       9.383    3 
+    770000       77000.00      36.482     -24.823      11.659 1390.113418   4.52 0.214 0.500 0.205 1.043     330.980     300.000       8.014    3 
+    780000       78000.00      27.360     -32.979      -5.619 1402.380510   4.93 0.214 0.727 0.289 0.647     248.223     300.000       7.148    3 
+    790000       79000.00      30.924     -41.162     -10.239 1414.788768   4.14 0.429 0.571 0.344 0.302     280.557     300.000       7.159    3 
+    800000       80000.00      34.859     -31.806       3.053 1430.548351   4.36 0.214 0.700 0.209 0.466     316.261     300.000       7.436    3 
+    810000       81000.00      30.239     -39.763      -9.523 1435.303757   5.19 0.214 0.727 0.322 0.716     274.347     300.000       7.129    3 
+    820000       82000.00      36.147     -33.692       2.454 1448.618977   6.20 0.214 0.667 0.182 0.838     327.942     300.000       7.580    3 
+    830000       83000.00      23.480     -34.258     -10.778 1456.133655   4.93 0.143 0.778 0.283 0.434     213.022     300.000       6.945    3 
+    840000       84000.00      28.101     -36.215      -8.114 1480.551084   4.64 0.286 0.600 0.277 1.066     254.946     300.000       7.014    3 
+    850000       85000.00      33.077     -45.827     -12.749 1501.839694   4.22 0.214 0.667 0.242 0.626     300.095     300.000       7.177    3 
+    860000       86000.00      31.131     -38.089      -6.958 1517.830238   5.12 0.143 0.800 0.318 0.569     282.433     300.000       7.035    3 
+    870000       87000.00      38.113     -42.901      -4.788 1549.971113   4.95 0.286 0.765 0.340 0.717     345.778     300.000       6.681    3 
+    880000       88000.00      31.308     -29.495       1.812 1582.555872   4.29 0.143 0.800 0.318 0.965     284.038     300.000       7.178    3 
+    890000       89000.00      31.185     -23.374       7.810 1636.034170   5.15 0.143 0.800 0.382 0.397     282.924     300.000       7.499    3 
+    900000       90000.00      30.912     -30.167       0.745 1660.563138   5.29 0.071 0.889 0.444 1.014     280.453     300.000       7.125    3 
+    910000       91000.00      41.671     -27.904      13.767 1702.244979   5.34 0.071 0.800 0.345 0.962     378.062     300.000       7.120    3 
+    920000       92000.00      31.200     -31.500      -0.300 1736.858582   4.46 0.143 0.500 0.193 1.368     283.064     300.000       8.942    3 
+    930000       93000.00      30.628     -25.116       5.512 1757.791862   3.94 0.214 0.571 0.169 1.309     277.873     300.000       7.320    3 
+    940000       94000.00      25.334     -23.588       1.746 1772.011383   6.62 0.214 0.727 0.256 0.928     229.847     300.000       9.738    3 
+    950000       95000.00      22.947     -25.939      -2.991 1793.428108   7.08 0.286 0.500 0.153 0.496     208.189     300.000       9.967    3 
+    960000       96000.00      32.408     -38.375      -5.967 1809.053825   3.42 0.286 0.765 0.259 0.973     294.018     300.000       6.924    3 
+    970000       97000.00      32.207     -34.069      -1.862 1818.688098   3.10 0.214 0.750 0.284 0.632     292.194     300.000       7.019    3 
+    980000       98000.00      30.428     -33.506      -3.078 1837.971847   2.05 0.286 0.692 0.262 0.502     276.061     300.000       6.758    3 
+    990000       99000.00      33.903     -37.401      -3.497 1847.170786   3.06 0.429 0.625 0.332 0.645     307.590     300.000       6.573    3 
+   1000000      100000.00      33.422     -40.767      -7.345 1874.351759   3.01 0.357 0.643 0.321 0.679     303.226     300.000       6.716    3 
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB004.stat b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB004.stat
index 28802ef..3807462 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB004.stat
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB004.stat
@@ -1,101 +1,101 @@
          0           0.00      28.286      24.828      53.114    0.000000  12.87 0.000   NaN   NaN 0.708     256.624     300.000      15.552    4 
-     10000        1000.00      40.220       0.975      41.195   47.699935   8.94 0.000 1.000 0.273 0.700     364.898     300.000      12.164    4 
-     20000        2000.00      32.506      -5.183      27.323   66.644395   8.55 0.000 1.000 0.318 0.598     294.915     300.000      12.189    4 
-     30000        3000.00      29.960     -27.080       2.880  121.144470   6.96 0.000 1.000 0.409 1.067     271.813     300.000       7.502    4 
-     40000        4000.00      33.815     -28.082       5.733  144.071983   4.43 0.143 0.750 0.324 0.714     306.791     300.000       7.855    4 
-     50000        5000.00      34.439     -24.167      10.272  159.465388   6.00 0.143 0.714 0.201 0.320     312.453     300.000       8.380    4 
-     60000        6000.00      38.242     -29.555       8.687  178.079521   6.15 0.429 0.455 0.326 1.393     346.948     300.000       7.088    4 
-     70000        7000.00      28.754     -31.085      -2.331  189.796592   5.51 0.286 0.733 0.321 0.628     260.871     300.000       6.715    4 
-     80000        8000.00      25.963     -34.321      -8.358  204.481299   6.03 0.143 0.833 0.417 1.313     235.547     300.000       6.799    4 
-     90000        9000.00      31.053     -32.544      -1.491  209.449605   4.54 0.143 0.778 0.253 0.623     281.730     300.000       7.398    4 
-    100000       10000.00      43.721     -24.533      19.189  236.990052   4.63 0.357 0.444 0.323 1.224     396.661     300.000       7.204    4 
-    110000       11000.00      34.134     -32.826       1.308  250.604098   4.76 0.214 0.571 0.188 0.894     309.679     300.000       7.389    4 
-    120000       12000.00      33.942     -38.747      -4.805  280.922930   5.57 0.286 0.636 0.360 0.637     307.938     300.000       6.538    4 
-    130000       13000.00      38.348     -41.783      -3.436  294.974880   5.10 0.214 0.769 0.290 1.000     347.910     300.000       6.823    4 
-    140000       14000.00      36.025     -26.656       9.369  319.639200   6.29 0.214 0.625 0.227 0.671     326.835     300.000       7.794    4 
-    150000       15000.00      38.127     -35.965       2.162  368.801844   6.46 0.286 0.556 0.212 0.367     345.912     300.000       8.057    4 
-    160000       16000.00      30.436     -27.014       3.422  380.833469   6.27 0.286 0.636 0.215 0.654     276.131     300.000       7.509    4 
-    170000       17000.00      33.446     -35.266      -1.820  386.660926   5.00 0.214 0.400 0.164 0.383     303.444     300.000       7.477    4 
-    180000       18000.00      28.360     -32.263      -3.903  411.734739   5.49 0.214 0.750 0.258 0.612     257.297     300.000       6.621    4 
-    190000       19000.00      28.620     -33.150      -4.530  425.158668   4.46 0.143 0.846 0.388 0.703     259.658     300.000       7.327    4 
-    200000       20000.00      28.116     -17.127      10.989  444.809059   4.15 0.357 0.545 0.306 0.640     255.079     300.000       7.445    4 
-    210000       21000.00      35.833     -32.373       3.460  475.905544   4.71 0.214 0.750 0.405 1.133     325.099     300.000       7.383    4 
-    220000       22000.00      30.607     -33.649      -3.042  497.511113   4.60 0.357 0.583 0.277 1.068     277.683     300.000       7.403    4 
-    230000       23000.00      33.622     -40.328      -6.706  509.129734   4.56 0.214 0.750 0.322 0.796     305.039     300.000       7.663    4 
-    240000       24000.00      31.017     -45.824     -14.807  533.492235   4.55 0.143 0.778 0.343 0.697     281.400     300.000       7.122    4 
-    250000       25000.00      30.690     -41.912     -11.222  544.446443   5.47 0.214 0.786 0.386 0.493     278.434     300.000       6.637    4 
-    260000       26000.00      38.732     -40.908      -2.176  551.002228   5.15 0.143 0.714 0.247 0.740     351.399     300.000       7.133    4 
-    270000       27000.00      29.134     -42.419     -13.285  575.882965   5.29 0.214 0.667 0.268 0.451     264.318     300.000       6.859    4 
-    280000       28000.00      30.570     -41.175     -10.606  587.039111   4.78 0.214 0.625 0.205 0.705     277.343     300.000       7.456    4 
-    290000       29000.00      30.467     -45.904     -15.437  591.582137   4.79 0.286 0.600 0.282 0.591     276.412     300.000       6.898    4 
-    300000       30000.00      27.396     -41.637     -14.240  594.525470   4.57 0.143 0.800 0.295 0.996     248.555     300.000       6.990    4 
-    310000       31000.00      38.017     -45.345      -7.328  620.946539   4.82 0.143 0.833 0.348 1.332     344.911     300.000       6.751    4 
-    320000       32000.00      36.486     -27.800       8.686  625.003537   5.13 0.286 0.500 0.312 1.483     331.016     300.000       7.554    4 
-    330000       33000.00      30.745     -32.397      -1.653  634.235150   4.57 0.214 0.700 0.286 0.781     278.931     300.000       7.795    4 
-    340000       34000.00      36.539     -40.413      -3.874  652.388177   4.53 0.143 0.846 0.367 0.681     331.503     300.000       6.958    4 
-    350000       35000.00      32.872     -41.251      -8.379  674.071198   6.01 0.286 0.692 0.357 0.648     298.231     300.000       6.825    4 
-    360000       36000.00      28.671     -37.186      -8.514  709.449488   5.12 0.143 0.714 0.214 0.423     260.122     300.000       7.331    4 
-    370000       37000.00      32.692     -44.408     -11.716  717.316412   4.63 0.286 0.714 0.383 0.524     296.601     300.000       6.517    4 
-    380000       38000.00      38.561     -40.709      -2.148  713.231557   4.42 0.214 0.700 0.250 0.903     349.845     300.000       7.286    4 
-    390000       39000.00      30.670     -37.388      -6.718  726.187503   4.53 0.286 0.714 0.422 0.434     278.252     300.000       6.752    4 
-    400000       40000.00      36.138     -14.960      21.178  743.417393   3.99 0.286 0.500 0.420 0.500     327.863     300.000       7.236    4 
-    410000       41000.00      30.619     -38.380      -7.761  755.274102   2.93 0.429 0.500 0.348 0.564     277.790     300.000       6.733    4 
-    420000       42000.00      34.454     -41.480      -7.027  759.360492   3.06 0.286 0.556 0.253 1.117     312.582     300.000       7.222    4 
-    430000       43000.00      32.948     -34.012      -1.064  790.277218   1.66 0.643 0.400 0.300 1.006     298.924     300.000       7.038    4 
-    440000       44000.00      34.258     -33.191       1.067  810.719216   3.83 0.286 0.636 0.322 0.978     310.807     300.000       7.020    4 
-    450000       45000.00      32.013     -25.937       6.076  834.683175   5.43 0.071 0.800 0.173 0.924     290.440     300.000       9.354    4 
-    460000       46000.00      37.971     -28.253       9.718  839.000625   5.99 0.214 0.769 0.325 1.131     344.493     300.000       7.282    4 
-    470000       47000.00      32.543     -31.929       0.615  846.001795   5.64 0.286 0.692 0.287 0.546     295.250     300.000       8.417    4 
-    480000       48000.00      33.336     -26.084       7.251  858.162101   7.06 0.143 0.600 0.164 0.605     302.438     300.000       8.803    4 
-    490000       49000.00      35.196     -28.860       6.336  860.020799   6.74 0.143 0.800 0.191 0.258     319.312     300.000       7.459    4 
-    500000       50000.00      25.336     -38.921     -13.585  899.741512   7.19 0.357 0.667 0.209 0.901     229.859     300.000       7.728    4 
-    510000       51000.00      31.644     -28.378       3.266  901.797141   4.06 0.143 0.750 0.290 0.495     287.088     300.000       7.325    4 
-    520000       52000.00      28.048     -38.037      -9.989  914.826023   4.74 0.143 0.714 0.403 0.576     254.462     300.000       7.418    4 
-    530000       53000.00      32.592     -30.022       2.570  922.509420   4.73 0.214 0.700 0.259 0.630     295.693     300.000       7.193    4 
-    540000       54000.00      30.487     -35.846      -5.359  935.805708   4.55 0.286 0.500 0.250 0.808     276.597     300.000       7.425    4 
-    550000       55000.00      36.754     -33.361       3.393  957.514753   4.48 0.214 0.625 0.216 0.748     333.456     300.000       7.055    4 
-    560000       56000.00      30.358     -48.812     -18.453  965.129960   4.65 0.429 0.600 0.345 0.664     275.425     300.000       6.868    4 
-    570000       57000.00      32.294     -40.081      -7.786  975.865838   6.20 0.286 0.714 0.250 1.005     292.992     300.000       6.853    4 
-    580000       58000.00      38.643     -35.526       3.118  987.791381   5.81 0.214 0.700 0.341 0.819     350.590     300.000       8.083    4 
-    590000       59000.00      35.636     -37.556      -1.920 1005.219900   4.18 0.214 0.667 0.253 0.796     323.304     300.000       7.403    4 
-    600000       60000.00      32.212     -35.189      -2.977 1020.977110   5.38 0.286 0.692 0.332 0.649     292.244     300.000       7.126    4 
-    610000       61000.00      46.483     -34.505      11.979 1033.434940   6.39 0.286 0.667 0.220 1.588     421.720     300.000       7.775    4 
-    620000       62000.00      27.070     -39.101     -12.031 1041.484312   6.98 0.214 0.700 0.268 0.741     245.589     300.000       7.168    4 
-    630000       63000.00      33.250     -37.059      -3.808 1059.362573   6.85 0.357 0.643 0.218 0.998     301.664     300.000       7.435    4 
-    640000       64000.00      32.568     -35.565      -2.997 1065.735235   3.32 0.286 0.636 0.335 0.433     295.474     300.000       6.999    4 
-    650000       65000.00      38.436     -28.148      10.288 1088.818110   3.09 0.214 0.571 0.338 0.852     348.708     300.000       6.785    4 
-    660000       66000.00      39.714     -43.427      -3.712 1098.042953   3.70 0.286 0.636 0.360 0.862     360.308     300.000       6.711    4 
-    670000       67000.00      38.649     -29.210       9.439 1105.453354   3.18 0.214 0.700 0.336 0.381     350.644     300.000       7.425    4 
-    680000       68000.00      38.515     -24.716      13.799 1112.654160   6.27 0.214 0.625 0.193 1.150     349.427     300.000       8.462    4 
-    690000       69000.00      31.446     -36.826      -5.380 1146.194164   6.72 0.357 0.583 0.239 0.900     285.292     300.000       6.847    4 
-    700000       70000.00      35.329     -32.638       2.691 1166.010560   4.17 0.429 0.538 0.336 0.661     320.523     300.000       7.515    4 
-    710000       71000.00      31.267     -31.723      -0.456 1173.272489   5.57 0.143 0.818 0.306 0.685     283.670     300.000       6.953    4 
-    720000       72000.00      35.811     -31.639       4.172 1178.967180   4.87 0.143 0.750 0.324 0.603     324.895     300.000       7.623    4 
-    730000       73000.00      26.840     -44.329     -17.490 1189.331969   5.47 0.214 0.700 0.355 0.469     243.502     300.000       6.967    4 
-    740000       74000.00      31.694     -36.952      -5.258 1200.291821   4.86 0.429 0.333 0.313 0.718     287.548     300.000       7.823    4 
-    750000       75000.00      38.919     -30.513       8.406 1214.635429   3.84 0.143 0.750 0.318 1.131     353.097     300.000       7.264    4 
-    760000       76000.00      31.286     -38.024      -6.737 1231.932526   4.98 0.143 0.800 0.391 0.823     283.846     300.000       7.052    4 
-    770000       77000.00      34.284     -36.043      -1.759 1257.245112   5.40 0.143 0.667 0.326 0.868     311.046     300.000       7.590    4 
-    780000       78000.00      32.449     -44.447     -11.999 1269.046022   6.15 0.071 0.938 0.304 1.377     294.390     300.000       6.715    4 
-    790000       79000.00      23.681     -42.049     -18.368 1291.576857   5.82 0.214 0.833 0.318 0.685     214.850     300.000       6.616    4 
-    800000       80000.00      36.465     -34.884       1.581 1303.071095   4.76 0.143 0.818 0.331 0.555     330.827     300.000       7.269    4 
-    810000       81000.00      29.192     -24.240       4.952 1326.892608   5.31 0.214 0.667 0.449 1.287     264.844     300.000       7.395    4 
-    820000       82000.00      32.207     -37.528      -5.321 1333.693171   4.66 0.214 0.700 0.318 0.786     292.195     300.000       7.165    4 
-    830000       83000.00      37.029     -34.526       2.503 1365.000118   5.68 0.286 0.667 0.288 0.429     335.946     300.000       6.900    4 
-    840000       84000.00      36.212     -39.540      -3.327 1370.205702   4.23 0.429 0.400 0.309 0.842     328.538     300.000       7.365    4 
-    850000       85000.00      38.446     -34.088       4.358 1399.090078   7.01 0.214 0.625 0.205 0.593     348.804     300.000       7.572    4 
-    860000       86000.00      40.323     -34.296       6.028 1410.465616   5.87 0.286 0.500 0.205 0.625     365.833     300.000       7.605    4 
-    870000       87000.00      26.194     -25.039       1.155 1435.072256   5.77 0.286 0.333 0.197 0.995     237.641     300.000       8.198    4 
-    880000       88000.00      32.035     -33.403      -1.368 1454.465761   3.98 0.286 0.556 0.217 1.171     290.640     300.000       6.906    4 
-    890000       89000.00      30.871     -43.746     -12.875 1485.444354   3.63 0.286 0.600 0.255 0.651     280.080     300.000       6.837    4 
-    900000       90000.00      31.731     -47.189     -15.458 1485.748595   3.02 0.571 0.467 0.291 0.444     287.881     300.000       6.566    4 
-    910000       91000.00      32.432     -34.768      -2.335 1493.422041   1.63 0.500 0.300 0.327 0.646     294.243     300.000       7.060    4 
-    920000       92000.00      30.271     -35.150      -4.879 1511.494048   2.68 0.357 0.286 0.266 0.834     274.635     300.000       6.937    4 
-    930000       93000.00      38.351     -43.358      -5.007 1526.024278   2.37 0.429 0.571 0.354 0.803     347.939     300.000       6.584    4 
-    940000       94000.00      35.850     -38.224      -2.373 1531.475819   2.86 0.357 0.583 0.273 0.945     325.254     300.000       7.019    4 
-    950000       95000.00      26.270     -30.593      -4.323 1544.493813   4.37 0.214 0.727 0.335 1.175     238.338     300.000       6.502    4 
-    960000       96000.00      36.457     -33.280       3.177 1559.685696   3.37 0.357 0.667 0.433 0.797     330.760     300.000       6.746    4 
-    970000       97000.00      35.392     -40.211      -4.820 1597.155147   4.10 0.429 0.625 0.449 0.354     321.091     300.000       6.568    4 
-    980000       98000.00      36.224     -36.798      -0.574 1610.768349   3.55 0.357 0.643 0.347 0.518     328.646     300.000       6.537    4 
-    990000       99000.00      28.996     -36.940      -7.943 1619.991061   3.51 0.214 0.700 0.295 0.705     263.071     300.000       7.347    4 
-   1000000      100000.00      37.440     -37.807      -0.368 1636.833456   4.77 0.429 0.538 0.332 0.662     339.671     300.000       6.810    4 
+     10000        1000.00      39.106     -23.707      15.400   31.170111   5.22 0.071 0.923 0.472 1.130     354.793     300.000       7.068    4 
+     20000        2000.00      31.362     -23.318       8.044   41.245876   4.61 0.214 0.700 0.318 1.214     284.533     300.000       6.900    4 
+     30000        3000.00      28.412     -40.845     -12.434   43.074363   3.70 0.143 0.857 0.357 0.648     257.768     300.000       6.868    4 
+     40000        4000.00      28.579     -33.629      -5.051   61.896303   4.81 0.143 0.667 0.258 0.480     259.281     300.000       6.961    4 
+     50000        5000.00      30.872     -38.731      -7.859   71.531772   3.78 0.357 0.545 0.380 0.634     280.087     300.000       6.752    4 
+     60000        6000.00      26.817     -41.006     -14.189   85.900637   3.69 0.214 0.800 0.312 0.486     243.300     300.000       6.845    4 
+     70000        7000.00      28.720     -44.045     -15.325   97.724330   3.15 0.286 0.692 0.469 0.521     260.566     300.000       6.695    4 
+     80000        8000.00      34.668     -42.684      -8.016  125.397728   3.80 0.429 0.538 0.360 0.886     314.530     300.000       6.919    4 
+     90000        9000.00      28.597     -35.798      -7.201  142.825431   3.70 0.357 0.615 0.353 0.564     259.442     300.000       7.264    4 
+    100000       10000.00      29.577     -30.444      -0.867  156.728111   3.30 0.214 0.700 0.345 1.043     268.338     300.000       7.716    4 
+    110000       11000.00      34.333     -40.116      -5.783  193.091846   3.34 0.357 0.583 0.273 0.439     311.489     300.000       7.283    4 
+    120000       12000.00      34.597     -33.526       1.070  227.737551   4.11 0.429 0.500 0.303 0.587     313.878     300.000       7.040    4 
+    130000       13000.00      35.215     -31.353       3.861  243.728895   2.18 0.286 0.600 0.282 0.464     319.485     300.000       7.264    4 
+    140000       14000.00      35.411     -17.524      17.886  275.607432   3.00 0.357 0.444 0.283 0.765     321.264     300.000       7.621    4 
+    150000       15000.00      25.123     -33.382      -8.258  285.965991   4.20 0.357 0.667 0.421 0.335     227.933     300.000       6.645    4 
+    160000       16000.00      36.390     -48.411     -12.021  302.457094   3.60 0.429 0.625 0.381 0.928     330.148     300.000       6.289    4 
+    170000       17000.00      34.266     -41.940      -7.674  312.727454   4.06 0.286 0.714 0.334 1.074     310.878     300.000       6.944    4 
+    180000       18000.00      24.973     -41.985     -17.012  328.478282   3.92 0.429 0.667 0.424 0.679     226.569     300.000       6.506    4 
+    190000       19000.00      29.179     -47.067     -17.888  346.117773   3.89 0.429 0.571 0.425 0.639     264.726     300.000       6.482    4 
+    200000       20000.00      32.672     -42.651      -9.979  363.032549   4.11 0.357 0.643 0.347 1.396     296.416     300.000       6.975    4 
+    210000       21000.00      34.860     -37.249      -2.389  379.751841   3.01 0.500 0.533 0.352 0.400     316.269     300.000       6.802    4 
+    220000       22000.00      41.531     -32.280       9.251  400.557560   2.86 0.286 0.714 0.367 0.387     376.789     300.000       6.545    4 
+    230000       23000.00      30.658     -34.484      -3.826  412.996740   3.70 0.214 0.769 0.318 0.415     278.146     300.000       6.656    4 
+    240000       24000.00      36.589     -38.716      -2.127  429.431012   3.64 0.357 0.545 0.252 0.771     331.950     300.000       6.846    4 
+    250000       25000.00      27.183     -35.804      -8.620  436.478541   2.22 0.357 0.500 0.250 0.663     246.623     300.000       7.223    4 
+    260000       26000.00      30.463     -28.084       2.379  446.669687   3.71 0.214 0.625 0.261 1.005     276.379     300.000       7.357    4 
+    270000       27000.00      33.502     -41.367      -7.866  457.644032   3.52 0.357 0.583 0.318 0.617     303.947     300.000       6.630    4 
+    280000       28000.00      27.296     -39.545     -12.249  474.796022   4.41 0.357 0.688 0.449 0.909     247.645     300.000       6.323    4 
+    290000       29000.00      39.622     -49.253      -9.631  477.417346   4.88 0.286 0.765 0.318 0.801     359.469     300.000       6.581    4 
+    300000       30000.00      36.080     -24.864      11.216  490.843339   2.93 0.214 0.750 0.345 1.369     327.335     300.000       6.676    4 
+    310000       31000.00      38.280     -50.991     -12.711  506.112923   3.53 0.214 0.812 0.344 0.781     347.297     300.000       6.758    4 
+    320000       32000.00      29.390     -37.970      -8.580  516.998643   3.53 0.214 0.769 0.290 0.768     266.644     300.000       7.339    4 
+    330000       33000.00      36.650     -40.697      -4.047  526.356023   4.51 0.357 0.737 0.392 0.622     332.504     300.000       6.341    4 
+    340000       34000.00      30.281     -44.738     -14.457  541.257063   3.96 0.357 0.667 0.312 0.461     274.723     300.000       6.889    4 
+    350000       35000.00      40.045     -33.763       6.282  569.884650   3.28 0.429 0.571 0.211 0.769     363.306     300.000       7.019    4 
+    360000       36000.00      31.781     -33.190      -1.409  584.796657   4.76 0.143 0.714 0.240 0.534     288.334     300.000       7.725    4 
+    370000       37000.00      39.206     -11.557      27.649  602.482423   3.81 0.143 0.667 0.174 0.695     355.693     300.000       7.611    4 
+    380000       38000.00      33.579     -32.386       1.193  611.965444   4.11 0.286 0.429 0.266 0.476     304.646     300.000       7.401    4 
+    390000       39000.00      33.142     -30.549       2.593  631.922280   5.08 0.071 0.833 0.258 1.081     300.683     300.000       8.449    4 
+    400000       40000.00      36.157     -40.352      -4.195  645.915270   4.43 0.286 0.636 0.310 0.722     328.038     300.000       7.285    4 
+    410000       41000.00      31.342     -34.956      -3.614  653.691877   6.82 0.214 0.800 0.427 0.477     284.355     300.000       6.541    4 
+    420000       42000.00      31.617     -37.443      -5.827  680.864096   5.91 0.214 0.750 0.288 0.580     286.842     300.000       7.051    4 
+    430000       43000.00      35.281     -35.798      -0.517  696.824883   4.95 0.286 0.500 0.188 0.318     320.083     300.000       7.917    4 
+    440000       44000.00      33.345     -22.926      10.419  727.884575   5.49 0.286 0.600 0.245 0.975     302.522     300.000       7.165    4 
+    450000       45000.00      30.394     -40.874     -10.481  768.216841   4.94 0.286 0.600 0.355 0.733     275.748     300.000       7.083    4 
+    460000       46000.00      29.489     -34.155      -4.665  827.506245   4.06 0.214 0.727 0.339 0.926     267.540     300.000       7.071    4 
+    470000       47000.00      35.069     -36.990      -1.921  837.776266   5.10 0.286 0.692 0.318 0.501     318.166     300.000       6.736    4 
+    480000       48000.00      40.356     -35.418       4.937  840.665709   4.71 0.214 0.500 0.265 1.074     366.126     300.000       7.205    4 
+    490000       49000.00      37.347     -30.147       7.200  877.460018   4.48 0.214 0.700 0.277 0.709     338.827     300.000       7.308    4 
+    500000       50000.00      35.074     -31.137       3.936  895.793537   5.64 0.214 0.500 0.182 0.882     318.207     300.000       7.664    4 
+    510000       51000.00      29.744     -43.322     -13.578  904.375642   3.21 0.286 0.636 0.260 0.547     269.854     300.000       7.311    4 
+    520000       52000.00      33.984     -26.955       7.029  914.560520   5.42 0.143 0.750 0.188 0.842     308.317     300.000       8.288    4 
+    530000       53000.00      34.175     -39.499      -5.325  922.471759   5.53 0.286 0.600 0.255 0.690     310.050     300.000       7.216    4 
+    540000       54000.00      31.242     -35.019      -3.777  948.310360   5.31 0.214 0.727 0.244 0.785     283.439     300.000       6.959    4 
+    550000       55000.00      32.567     -38.278      -5.712  970.539576   5.17 0.214 0.727 0.339 0.395     295.460     300.000       7.268    4 
+    560000       56000.00      29.101     -40.530     -11.428  981.264707   5.83 0.214 0.769 0.318 1.223     264.021     300.000       6.609    4 
+    570000       57000.00      31.960     -38.439      -6.479  998.624638   4.48 0.357 0.615 0.252 0.489     289.955     300.000       6.989    4 
+    580000       58000.00      35.114     -39.186      -4.072 1018.675469   5.48 0.214 0.727 0.281 0.840     318.576     300.000       6.862    4 
+    590000       59000.00      39.627     -34.613       5.014 1024.636612   5.05 0.143 0.846 0.273 1.102     359.521     300.000       6.836    4 
+    600000       60000.00      27.556     -36.656      -9.100 1032.028353   5.23 0.357 0.615 0.357 0.479     250.000     300.000       6.760    4 
+    610000       61000.00      34.824     -31.289       3.535 1049.647560   4.93 0.286 0.667 0.348 1.135     315.941     300.000       7.123    4 
+    620000       62000.00      23.625     -34.927     -11.302 1059.465015   5.08 0.214 0.667 0.278 0.786     214.338     300.000       7.044    4 
+    630000       63000.00      24.484     -35.517     -11.033 1071.961536   4.99 0.357 0.615 0.276 0.899     222.134     300.000       6.641    4 
+    640000       64000.00      41.186     -47.700      -6.515 1086.526281   5.12 0.357 0.615 0.252 0.854     373.657     300.000       6.841    4 
+    650000       65000.00      29.463     -37.202      -7.739 1092.007547   5.67 0.286 0.692 0.325 0.497     267.304     300.000       6.908    4 
+    660000       66000.00      28.781     -44.757     -15.976 1118.660612   4.92 0.357 0.615 0.346 0.665     261.114     300.000       6.740    4 
+    670000       67000.00      38.233     -35.938       2.295 1142.300090   5.82 0.286 0.636 0.347 0.537     346.870     300.000       6.901    4 
+    680000       68000.00      27.471     -35.485      -8.014 1146.633683   5.74 0.357 0.545 0.186 0.764     249.229     300.000       7.618    4 
+    690000       69000.00      34.638     -37.322      -2.684 1159.877363   4.40 0.143 0.833 0.432 1.408     314.251     300.000       6.726    4 
+    700000       70000.00      36.411     -36.339       0.072 1174.156276   3.38 0.357 0.375 0.403 1.056     330.342     300.000       7.272    4 
+    710000       71000.00      29.479     -45.008     -15.528 1204.263022   3.49 0.286 0.556 0.263 0.520     267.451     300.000       6.640    4 
+    720000       72000.00      35.728     -41.829      -6.101 1208.319000   3.97 0.286 0.733 0.424 0.728     324.141     300.000       6.504    4 
+    730000       73000.00      28.778     -46.971     -18.193 1220.053754   3.43 0.357 0.667 0.358 0.618     261.086     300.000       7.084    4 
+    740000       74000.00      34.973     -37.151      -2.178 1243.027881   4.18 0.214 0.625 0.256 1.124     317.296     300.000       6.971    4 
+    750000       75000.00      25.401     -28.306      -2.904 1263.989925   2.96 0.143 0.667 0.288 0.587     230.454     300.000       6.876    4 
+    760000       76000.00      34.385     -40.335      -5.950 1279.869412   3.37 0.286 0.692 0.308 0.465     311.955     300.000       6.649    4 
+    770000       77000.00      33.663     -39.492      -5.829 1284.271967   3.45 0.429 0.538 0.315 0.539     305.411     300.000       6.930    4 
+    780000       78000.00      28.170     -44.297     -16.126 1296.813893   3.21 0.357 0.643 0.393 0.676     255.576     300.000       6.749    4 
+    790000       79000.00      30.041     -43.088     -13.047 1311.885606   2.48 0.214 0.800 0.294 0.513     272.544     300.000       6.847    4 
+    800000       80000.00      36.885     -41.514      -4.629 1317.028218   3.31 0.429 0.667 0.331 0.798     334.641     300.000       6.471    4 
+    810000       81000.00      30.487     -40.807     -10.320 1344.024385   2.20 0.500 0.500 0.273 0.565     276.597     300.000       7.069    4 
+    820000       82000.00      39.489     -27.299      12.191 1348.573920   3.42 0.214 0.667 0.273 0.538     358.268     300.000       7.067    4 
+    830000       83000.00      28.812     -33.072      -4.259 1359.429502   4.00 0.357 0.688 0.349 0.905     261.401     300.000       6.414    4 
+    840000       84000.00      30.994     -42.680     -11.686 1361.284233   3.84 0.286 0.600 0.332 0.946     281.193     300.000       7.094    4 
+    850000       85000.00      31.998     -43.632     -11.634 1384.783964   3.55 0.357 0.688 0.341 1.141     290.299     300.000       6.623    4 
+    860000       86000.00      28.645     -28.741      -0.097 1395.492670   3.60 0.357 0.500 0.382 0.668     259.878     300.000       7.201    4 
+    870000       87000.00      42.717     -35.914       6.804 1410.102027   3.45 0.429 0.600 0.370 0.582     387.555     300.000       6.746    4 
+    880000       88000.00      33.208     -36.268      -3.060 1438.000599   3.40 0.214 0.750 0.420 0.498     301.279     300.000       7.128    4 
+    890000       89000.00      31.329     -38.732      -7.403 1470.688430   4.13 0.143 0.778 0.318 0.762     284.232     300.000       6.997    4 
+    900000       90000.00      35.951     -39.728      -3.778 1499.967146   4.56 0.214 0.786 0.399 0.620     326.165     300.000       6.578    4 
+    910000       91000.00      35.001     -34.970       0.031 1524.075411   3.72 0.286 0.556 0.192 0.691     317.550     300.000       7.381    4 
+    920000       92000.00      28.859     -46.804     -17.945 1536.868979   4.49 0.286 0.750 0.381 0.824     261.821     300.000       6.611    4 
+    930000       93000.00      34.416     -32.897       1.519 1564.952784   6.40 0.286 0.667 0.231 1.099     312.237     300.000       8.134    4 
+    940000       94000.00      42.161     -38.209       3.953 1591.953253   6.63 0.286 0.500 0.193 0.385     382.509     300.000       7.861    4 
+    950000       95000.00      30.939     -38.626      -7.688 1609.882349   6.94 0.143 0.750 0.256 0.974     280.690     300.000       7.679    4 
+    960000       96000.00      37.773     -33.781       3.992 1627.043159   5.28 0.286 0.667 0.258 0.979     342.693     300.000       7.340    4 
+    970000       97000.00      33.241     -44.690     -11.450 1640.742894   3.55 0.286 0.692 0.339 0.943     301.577     300.000       6.745    4 
+    980000       98000.00      31.583     -36.510      -4.927 1650.249543   4.41 0.214 0.700 0.327 0.502     286.533     300.000       7.144    4 
+    990000       99000.00      29.948     -30.887      -0.939 1672.366105   4.00 0.357 0.545 0.393 0.571     271.704     300.000       6.640    4 
+   1000000      100000.00      23.933     -37.190     -13.257 1714.627313   3.67 0.357 0.643 0.399 0.369     217.132     300.000       6.587    4 
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB005.stat b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB005.stat
index 180e0ef..013df28 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB005.stat
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB005.stat
@@ -1,101 +1,101 @@
          0           0.00      34.855      24.828      59.683    0.000000  12.87 0.000   NaN   NaN 0.708     316.222     300.000      15.552    5 
-     10000        1000.00      30.007     -25.323       4.683    2.911211   5.92 0.000 1.000 0.309 0.595     272.236     300.000       9.547    5 
-     20000        2000.00      35.079     -21.218      13.861   14.081416   7.04 0.071 0.750 0.216 0.804     318.254     300.000      10.103    5 
-     30000        3000.00      28.231     -24.200       4.031   35.976322   6.65 0.071 0.800 0.245 0.399     256.124     300.000      10.709    5 
-     40000        4000.00      34.107     -33.244       0.864   42.459922   4.88 0.143 0.857 0.299 0.535     309.439     300.000       7.429    5 
-     50000        5000.00      29.407     -33.697      -4.290   90.718161   3.67 0.214 0.727 0.335 0.624     266.797     300.000       7.070    5 
-     60000        6000.00      28.187     -28.823      -0.636   98.898738   4.21 0.143 0.800 0.209 0.718     255.727     300.000       7.734    5 
-     70000        7000.00      32.298     -31.117       1.182  130.641581   6.98 0.214 0.769 0.343 1.482     293.027     300.000       6.723    5 
-     80000        8000.00      31.385     -33.326      -1.941  158.116719   6.25 0.143 0.833 0.383 0.949     284.741     300.000       6.770    5 
-     90000        9000.00      32.758     -39.067      -6.309  166.971440   7.33 0.143 0.778 0.318 1.001     297.200     300.000       6.828    5 
-    100000       10000.00      35.198     -44.034      -8.836  201.153744   5.68 0.214 0.700 0.377 0.652     319.332     300.000       6.535    5 
-    110000       11000.00      30.004     -43.079     -13.075  204.866348   4.90 0.286 0.692 0.322 0.327     272.210     300.000       6.618    5 
-    120000       12000.00      34.775     -32.784       1.991  215.230956   5.52 0.071 0.909 0.264 0.508     315.498     300.000       6.955    5 
-    130000       13000.00      40.838     -43.248      -2.410  226.941566   4.76 0.286 0.667 0.269 0.819     370.507     300.000       6.888    5 
-    140000       14000.00      29.619     -37.103      -7.485  235.683521   5.93 0.214 0.786 0.351 0.967     268.717     300.000       6.942    5 
-    150000       15000.00      34.081     -37.058      -2.977  236.401213   5.69 0.286 0.429 0.162 0.866     309.203     300.000       7.372    5 
-    160000       16000.00      42.758     -39.638       3.119  243.436858   6.46 0.214 0.727 0.260 0.828     387.918     300.000       7.225    5 
-    170000       17000.00      34.130     -34.427      -0.297  253.170463   7.48 0.214 0.625 0.193 0.726     309.642     300.000       7.747    5 
-    180000       18000.00      37.364     -30.601       6.763  270.548296   6.36 0.357 0.500 0.177 0.526     338.985     300.000       7.653    5 
-    190000       19000.00      29.339     -31.741      -2.402  297.110768   5.64 0.214 0.625 0.188 0.413     266.178     300.000       8.933    5 
-    200000       20000.00      33.890     -43.511      -9.621  306.200521   7.01 0.286 0.600 0.218 0.793     307.465     300.000       7.621    5 
-    210000       21000.00      36.038     -31.833       4.205  314.609004   6.81 0.214 0.571 0.221 1.004     326.955     300.000       7.255    5 
-    220000       22000.00      38.355     -34.715       3.641  320.807217   7.20 0.286 0.636 0.198 0.562     347.980     300.000       7.363    5 
-    230000       23000.00      23.057     -31.289      -8.233  328.583812   4.66 0.286 0.500 0.273 0.900     209.182     300.000       7.515    5 
-    240000       24000.00      26.335     -33.820      -7.486  373.265639   5.75 0.357 0.615 0.259 0.765     238.923     300.000       6.875    5 
-    250000       25000.00      35.695     -31.768       3.927  390.368385   4.26 0.286 0.429 0.188 1.053     323.845     300.000       8.584    5 
-    260000       26000.00      28.589     -27.485       1.104  406.777384   3.41 0.214 0.571 0.253 0.579     259.372     300.000       7.541    5 
-    270000       27000.00      34.768     -39.782      -5.013  426.708807   1.71 0.571 0.467 0.324 1.041     315.436     300.000       6.735    5 
-    280000       28000.00      30.167     -33.738      -3.572  472.430882   3.70 0.214 0.727 0.355 0.993     273.689     300.000       6.850    5 
-    290000       29000.00      28.505     -46.844     -18.339  483.354032   3.04 0.571 0.429 0.260 0.503     258.612     300.000       6.605    5 
-    300000       30000.00      35.682     -44.046      -8.365  499.460151   3.65 0.357 0.722 0.260 1.011     323.721     300.000       6.603    5 
-    310000       31000.00      39.097     -31.397       7.700  506.161082   2.47 0.143 0.714 0.169 0.444     354.711     300.000       7.206    5 
-    320000       32000.00      35.109     -38.461      -3.352  522.248792   2.78 0.357 0.583 0.269 0.289     318.523     300.000       6.649    5 
-    330000       33000.00      31.181     -43.805     -12.624  545.389858   2.65 0.500 0.533 0.279 0.480     282.893     300.000       6.666    5 
-    340000       34000.00      32.444     -44.189     -11.745  548.121729   2.53 0.571 0.385 0.238 0.866     294.350     300.000       6.851    5 
-    350000       35000.00      37.420     -32.577       4.844  571.721479   3.60 0.357 0.615 0.255 0.679     339.497     300.000       7.089    5 
-    360000       36000.00      37.768     -36.000       1.768  577.375630   3.21 0.286 0.333 0.326 1.235     342.648     300.000       7.490    5 
-    370000       37000.00      37.892     -37.305       0.587  600.461957   3.67 0.357 0.583 0.326 0.320     343.779     300.000       7.637    5 
-    380000       38000.00      27.268     -26.991       0.277  615.173660   3.78 0.357 0.444 0.197 0.591     247.387     300.000       7.866    5 
-    390000       39000.00      36.584     -31.236       5.348  659.657174   4.53 0.286 0.600 0.327 0.657     331.912     300.000       7.514    5 
-    400000       40000.00      30.674     -28.352       2.322  674.604009   3.92 0.071 0.833 0.295 0.653     278.288     300.000       8.036    5 
-    410000       41000.00      32.259     -27.224       5.035  701.885470   6.16 0.357 0.444 0.192 0.362     292.669     300.000       7.724    5 
-    420000       42000.00      23.949     -32.441      -8.492  716.224739   3.25 0.571 0.429 0.286 0.911     217.277     300.000       7.034    5 
-    430000       43000.00      44.309     -24.042      20.266  729.527050   4.21 0.143 0.600 0.291 0.478     401.992     300.000       8.314    5 
-    440000       44000.00      34.769     -24.011      10.758  746.427744   4.81 0.071 0.875 0.330 0.821     315.446     300.000       7.422    5 
-    450000       45000.00      36.016     -28.593       7.423  748.391786   3.93 0.143 0.714 0.305 0.849     326.753     300.000       7.891    5 
-    460000       46000.00      39.792     -42.478      -2.686  782.791789   4.62 0.214 0.769 0.357 0.781     361.010     300.000       7.245    5 
-    470000       47000.00      30.588     -35.528      -4.940  791.910287   4.44 0.143 0.818 0.492 0.526     277.510     300.000       7.507    5 
-    480000       48000.00      25.678     -42.859     -17.181  812.116148   4.82 0.286 0.636 0.248 0.780     232.966     300.000       7.095    5 
-    490000       49000.00      36.755     -37.480      -0.726  828.350440   4.75 0.286 0.667 0.417 0.663     333.457     300.000       7.218    5 
-    500000       50000.00      26.930     -36.355      -9.425  834.474342   4.70 0.214 0.786 0.383 1.206     244.320     300.000       7.224    5 
-    510000       51000.00      32.674     -38.595      -5.920  845.965340   4.90 0.071 0.875 0.347 0.597     296.438     300.000       7.198    5 
-    520000       52000.00      29.382     -35.897      -6.516  865.564008   5.59 0.214 0.625 0.284 0.628     266.565     300.000       7.208    5 
-    530000       53000.00      24.413     -42.333     -17.920  884.535139   4.73 0.214 0.625 0.244 0.782     221.490     300.000       7.526    5 
-    540000       54000.00      25.056     -33.082      -8.026  905.590776   5.23 0.214 0.700 0.245 0.899     227.319     300.000       7.464    5 
-    550000       55000.00      30.766     -26.657       4.109  919.819381   6.04 0.357 0.583 0.292 0.544     279.121     300.000       6.800    5 
-    560000       56000.00      26.584     -30.339      -3.754  925.101357   5.53 0.143 0.714 0.227 0.328     241.188     300.000       7.483    5 
-    570000       57000.00      30.629     -44.644     -14.015  933.471436   5.07 0.286 0.636 0.310 0.719     277.883     300.000       6.858    5 
-    580000       58000.00      33.844     -35.413      -1.569  946.101722   7.16 0.214 0.700 0.245 1.146     307.054     300.000       7.788    5 
-    590000       59000.00      30.376     -32.290      -1.913  954.610288   5.30 0.286 0.636 0.194 1.040     275.588     300.000       7.779    5 
-    600000       60000.00      37.908     -21.824      16.084  965.593641   4.09 0.286 0.600 0.368 1.088     343.925     300.000       6.932    5 
-    610000       61000.00      35.847     -44.160      -8.313  987.748539   3.26 0.500 0.611 0.293 0.591     325.223     300.000       6.639    5 
-    620000       62000.00      39.820     -33.776       6.044  990.526591   2.38 0.571 0.529 0.326 0.967     361.267     300.000       6.498    5 
-    630000       63000.00      32.401     -30.937       1.464  998.495881   2.65 0.429 0.600 0.282 0.855     293.957     300.000       6.787    5 
-    640000       64000.00      29.638     -34.277      -4.639 1030.400498   3.85 0.286 0.733 0.406 0.729     268.889     300.000       6.481    5 
-    650000       65000.00      31.608     -42.959     -11.351 1050.884791   3.52 0.500 0.588 0.353 0.403     286.768     300.000       6.474    5 
-    660000       66000.00      27.712     -34.490      -6.778 1068.775899   3.62 0.214 0.667 0.293 0.464     251.421     300.000       6.720    5 
-    670000       67000.00      34.262     -40.457      -6.195 1102.802905   3.83 0.286 0.733 0.373 0.517     310.846     300.000       6.613    5 
-    680000       68000.00      33.312     -33.365      -0.053 1118.791209   2.31 0.286 0.500 0.284 0.799     302.223     300.000       7.195    5 
-    690000       69000.00      34.625     -27.558       7.067 1140.856440   5.08 0.429 0.455 0.240 1.202     314.135     300.000       7.475    5 
-    700000       70000.00      40.282     -31.474       8.808 1147.658871   2.94 0.214 0.625 0.273 1.235     365.460     300.000       7.150    5 
-    710000       71000.00      38.201     -31.227       6.974 1149.617751   3.86 0.071 0.857 0.175 0.949     346.583     300.000       7.947    5 
-    720000       72000.00      41.973     -31.548      10.426 1159.044778   4.73 0.143 0.750 0.210 0.317     380.805     300.000       7.656    5 
-    730000       73000.00      34.465     -41.620      -7.154 1168.858965   6.31 0.143 0.750 0.227 1.112     312.686     300.000       8.127    5 
-    740000       74000.00      26.714     -33.491      -6.778 1170.195360   4.89 0.286 0.667 0.197 0.497     242.360     300.000       7.952    5 
-    750000       75000.00      33.792     -28.585       5.207 1183.407578   3.42 0.143 0.818 0.310 0.531     306.577     300.000       6.906    5 
-    760000       76000.00      39.055     -35.604       3.451 1194.318600   3.93 0.286 0.750 0.392 0.803     354.327     300.000       6.622    5 
-    770000       77000.00      36.229     -36.530      -0.301 1217.880850   3.50 0.214 0.769 0.294 0.555     328.686     300.000       7.034    5 
-    780000       78000.00      33.331     -39.321      -5.990 1221.408526   4.33 0.286 0.600 0.414 0.685     302.396     300.000       6.941    5 
-    790000       79000.00      34.185     -38.650      -4.465 1248.172179   3.90 0.286 0.765 0.409 0.467     310.145     300.000       6.491    5 
-    800000       80000.00      29.970     -37.742      -7.772 1267.988716   4.21 0.286 0.714 0.299 0.738     271.899     300.000       6.718    5 
-    810000       81000.00      28.557     -34.720      -6.163 1282.711401   2.81 0.357 0.643 0.244 0.388     259.082     300.000       6.667    5 
-    820000       82000.00      37.167     -37.800      -0.633 1301.026966   3.18 0.357 0.615 0.283 0.599     337.199     300.000       6.946    5 
-    830000       83000.00      32.294     -25.758       6.536 1327.705399   3.30 0.286 0.429 0.253 1.000     292.990     300.000       7.582    5 
-    840000       84000.00      28.964     -42.546     -13.581 1344.447012   2.81 0.429 0.538 0.248 0.798     262.777     300.000       6.980    5 
-    850000       85000.00      27.789     -40.725     -12.936 1357.272001   3.03 0.357 0.643 0.302 0.676     252.112     300.000       6.710    5 
-    860000       86000.00      25.963     -43.696     -17.733 1370.286379   3.60 0.214 0.727 0.405 0.932     235.551     300.000       6.477    5 
-    870000       87000.00      36.126     -35.954       0.171 1382.751264   2.69 0.286 0.556 0.263 0.608     327.752     300.000       6.712    5 
-    880000       88000.00      34.165     -40.192      -6.027 1386.828145   2.88 0.429 0.400 0.200 0.801     309.964     300.000       6.798    5 
-    890000       89000.00      27.512     -33.037      -5.525 1395.043086   2.69 0.357 0.545 0.331 0.965     249.606     300.000       7.025    5 
-    900000       90000.00      41.029     -33.677       7.352 1404.165100   3.22 0.357 0.615 0.322 1.003     372.238     300.000       7.023    5 
-    910000       91000.00      32.728     -40.824      -8.096 1405.595258   3.35 0.143 0.750 0.193 1.199     296.925     300.000       7.321    5 
-    920000       92000.00      34.742     -48.662     -13.920 1420.692750   4.29 0.214 0.750 0.333 0.742     315.197     300.000       6.802    5 
-    930000       93000.00      31.030     -36.264      -5.234 1426.301681   4.17 0.214 0.750 0.345 1.452     281.518     300.000       7.389    5 
-    940000       94000.00      32.959     -43.058     -10.099 1435.568168   3.52 0.286 0.750 0.295 0.349     299.025     300.000       6.983    5 
-    950000       95000.00      32.104     -37.514      -5.410 1446.136986   4.30 0.429 0.625 0.423 0.659     291.267     300.000       6.848    5 
-    960000       96000.00      30.067     -33.357      -3.290 1454.756460   3.80 0.071 0.857 0.247 0.304     272.782     300.000       7.547    5 
-    970000       97000.00      33.462     -26.678       6.784 1456.128652   3.61 0.143 0.778 0.293 0.742     303.585     300.000       7.474    5 
-    980000       98000.00      33.649     -41.646      -7.997 1462.650999   3.63 0.214 0.667 0.268 0.915     305.284     300.000       7.633    5 
-    990000       99000.00      33.234     -37.357      -4.123 1487.692792   5.92 0.143 0.857 0.380 0.692     301.518     300.000       6.662    5 
-   1000000      100000.00      23.235     -28.272      -5.036 1506.009125   6.33 0.071 0.857 0.338 1.048     210.804     300.000       7.243    5 
+     10000        1000.00      44.197     -36.339       7.858    6.782919   4.30 0.143 0.800 0.314 0.908     400.979     300.000       6.726    5 
+     20000        2000.00      35.847     -29.229       6.619   33.779266   5.70 0.071 0.800 0.573 1.332     325.226     300.000       7.193    5 
+     30000        3000.00      36.906     -29.953       6.953   48.795643   4.98 0.071 0.889 0.475 0.692     334.830     300.000       6.870    5 
+     40000        4000.00      34.158     -27.946       6.212   74.419152   4.00 0.286 0.600 0.327 0.966     309.903     300.000       7.165    5 
+     50000        5000.00      30.406     -35.508      -5.102   82.892062   3.87 0.286 0.714 0.321 1.012     275.859     300.000       7.013    5 
+     60000        6000.00      28.072     -40.772     -12.700  103.172375   4.16 0.286 0.556 0.333 0.326     254.682     300.000       7.125    5 
+     70000        7000.00      31.964     -42.155     -10.191  158.203990   4.07 0.286 0.714 0.266 0.635     289.992     300.000       6.905    5 
+     80000        8000.00      34.745     -47.519     -12.774  188.068731   3.79 0.286 0.714 0.357 0.585     315.228     300.000       6.521    5 
+     90000        9000.00      31.314     -33.860      -2.546  222.948457   2.94 0.214 0.400 0.164 0.449     284.100     300.000       7.671    5 
+    100000       10000.00      35.659     -38.559      -2.899  235.198415   2.67 0.429 0.571 0.295 0.493     323.520     300.000       7.059    5 
+    110000       11000.00      27.647     -38.482     -10.835  239.509268   3.93 0.143 0.818 0.384 0.929     250.832     300.000       6.984    5 
+    120000       12000.00      32.495     -34.828      -2.333  262.979738   4.17 0.357 0.545 0.413 0.768     294.810     300.000       6.779    5 
+    130000       13000.00      24.102     -35.506     -11.403  302.773209   3.30 0.429 0.600 0.221 0.515     218.669     300.000       6.755    5 
+    140000       14000.00      35.472     -22.188      13.284  319.448931   4.05 0.286 0.556 0.313 0.671     321.824     300.000       6.835    5 
+    150000       15000.00      31.584     -32.785      -1.201  326.033574   4.07 0.286 0.636 0.488 0.901     286.551     300.000       6.544    5 
+    160000       16000.00      36.311     -44.068      -7.757  334.553056   4.05 0.357 0.615 0.406 1.610     329.430     300.000       6.665    5 
+    170000       17000.00      24.805     -35.852     -11.047  348.872487   3.31 0.286 0.750 0.349 0.635     225.042     300.000       6.845    5 
+    180000       18000.00      39.100     -35.633       3.467  383.642515   3.75 0.214 0.571 0.299 0.960     354.733     300.000       7.827    5 
+    190000       19000.00      37.647     -33.700       3.947  388.367826   3.56 0.286 0.556 0.414 1.643     341.556     300.000       6.975    5 
+    200000       20000.00      34.465     -37.085      -2.619  442.205876   3.39 0.214 0.727 0.339 1.251     312.687     300.000       6.661    5 
+    210000       21000.00      27.114     -40.684     -13.571  466.385998   2.96 0.214 0.700 0.259 1.085     245.989     300.000       6.985    5 
+    220000       22000.00      25.363     -33.131      -7.768  483.965684   3.12 0.429 0.538 0.294 0.486     230.107     300.000       6.749    5 
+    230000       23000.00      45.413     -34.747      10.667  491.232716   3.04 0.214 0.571 0.221 1.348     412.013     300.000       7.388    5 
+    240000       24000.00      32.306     -32.228       0.078  502.393675   3.68 0.214 0.750 0.292 0.655     293.100     300.000       6.854    5 
+    250000       25000.00      35.859     -50.567     -14.708  518.623763   2.39 0.357 0.583 0.212 0.771     325.329     300.000       7.473    5 
+    260000       26000.00      34.861     -39.119      -4.258  539.948379   3.28 0.286 0.556 0.288 0.620     316.277     300.000       6.848    5 
+    270000       27000.00      30.943     -36.510      -5.567  549.544992   3.59 0.429 0.538 0.322 0.821     280.727     300.000       6.376    5 
+    280000       28000.00      28.800     -40.668     -11.868  568.572671   3.43 0.286 0.667 0.348 0.821     261.291     300.000       7.039    5 
+    290000       29000.00      25.695     -40.366     -14.671  571.463714   4.42 0.357 0.688 0.395 0.882     233.116     300.000       6.606    5 
+    300000       30000.00      34.058     -48.616     -14.558  587.029516   4.12 0.429 0.600 0.391 1.007     308.991     300.000       6.730    5 
+    310000       31000.00      32.962     -42.425      -9.463  596.927815   3.75 0.357 0.722 0.391 0.548     299.047     300.000       6.573    5 
+    320000       32000.00      37.557     -32.507       5.051  611.507595   3.56 0.357 0.545 0.335 0.873     340.738     300.000       7.050    5 
+    330000       33000.00      33.228     -36.896      -3.668  615.922742   4.56 0.357 0.583 0.205 0.594     301.465     300.000       7.706    5 
+    340000       34000.00      30.885     -32.995      -2.110  622.243422   6.91 0.143 0.750 0.227 0.850     280.207     300.000       7.395    5 
+    350000       35000.00      33.047     -41.252      -8.205  627.729301   4.83 0.214 0.700 0.264 0.606     299.818     300.000       7.135    5 
+    360000       36000.00      28.758     -32.889      -4.131  639.829225   4.70 0.286 0.600 0.273 0.443     260.904     300.000       6.790    5 
+    370000       37000.00      31.672     -37.177      -5.505  664.251619   4.89 0.286 0.636 0.252 0.553     287.342     300.000       6.860    5 
+    380000       38000.00      39.341     -30.261       9.080  684.791373   5.64 0.429 0.538 0.325 0.881     356.919     300.000       6.697    5 
+    390000       39000.00      35.258     -40.487      -5.228  715.071242   5.43 0.214 0.727 0.401 0.641     319.883     300.000       6.994    5 
+    400000       40000.00      37.616     -37.097       0.518  723.242492   6.64 0.286 0.556 0.258 0.804     341.268     300.000       7.043    5 
+    410000       41000.00      30.524     -30.009       0.515  740.005694   4.74 0.214 0.500 0.311 0.465     276.925     300.000       7.742    5 
+    420000       42000.00      31.856     -32.922      -1.066  752.922463   5.02 0.357 0.444 0.232 0.385     289.010     300.000       7.455    5 
+    430000       43000.00      32.524     -40.167      -7.643  763.583364   5.49 0.357 0.545 0.306 1.268     295.078     300.000       7.220    5 
+    440000       44000.00      25.823     -38.515     -12.692  761.409563   4.65 0.214 0.625 0.330 0.464     234.280     300.000       7.023    5 
+    450000       45000.00      29.164     -29.658      -0.494  774.877094   4.49 0.214 0.700 0.291 0.973     264.587     300.000       7.388    5 
+    460000       46000.00      29.630     -35.432      -5.802  780.290506   4.12 0.286 0.667 0.352 1.231     268.819     300.000       7.553    5 
+    470000       47000.00      36.907     -40.129      -3.223  803.149465   5.68 0.214 0.700 0.259 0.749     334.835     300.000       7.357    5 
+    480000       48000.00      27.718     -29.650      -1.932  821.800845   5.59 0.286 0.600 0.259 0.511     251.469     300.000       7.081    5 
+    490000       49000.00      29.762     -32.528      -2.766  835.859119   5.51 0.357 0.583 0.299 0.619     270.013     300.000       7.060    5 
+    500000       50000.00      38.140     -33.552       4.588  843.711825   5.83 0.143 0.818 0.285 0.795     346.030     300.000       7.537    5 
+    510000       51000.00      39.393     -32.763       6.630  869.473767   4.55 0.286 0.692 0.255 0.900     357.390     300.000       7.334    5 
+    520000       52000.00      33.207     -36.917      -3.710  902.453364   3.62 0.143 0.714 0.299 0.556     301.272     300.000       7.771    5 
+    530000       53000.00      33.456     -42.979      -9.523  947.683650   4.89 0.286 0.600 0.309 0.478     303.528     300.000       7.235    5 
+    540000       54000.00      35.630     -36.292      -0.663  984.255998   3.96 0.286 0.636 0.264 0.697     323.250     300.000       7.360    5 
+    550000       55000.00      22.217     -34.226     -12.009  998.663672   5.78 0.214 0.750 0.265 0.761     201.562     300.000       6.994    5 
+    560000       56000.00      40.553     -31.329       9.224 1011.017652   5.65 0.286 0.556 0.197 0.494     367.918     300.000       7.318    5 
+    570000       57000.00      34.190     -41.450      -7.260 1024.293669   5.40 0.214 0.750 0.303 0.505     310.186     300.000       7.089    5 
+    580000       58000.00      30.756     -41.397     -10.641 1057.315396   6.20 0.143 0.875 0.352 1.034     279.031     300.000       6.670    5 
+    590000       59000.00      32.287     -35.668      -3.381 1067.692398   6.41 0.214 0.700 0.295 0.991     292.926     300.000       7.325    5 
+    600000       60000.00      37.325     -32.259       5.066 1089.345976   6.38 0.214 0.571 0.266 1.489     338.630     300.000       7.398    5 
+    610000       61000.00      25.722     -35.640      -9.918 1095.940968   5.37 0.214 0.667 0.298 0.459     233.362     300.000       6.721    5 
+    620000       62000.00      29.835     -26.046       3.789 1124.287621   4.24 0.357 0.583 0.322 0.602     270.677     300.000       7.390    5 
+    630000       63000.00      38.929     -38.154       0.775 1133.829928   4.46 0.214 0.812 0.321 1.079     353.185     300.000       7.158    5 
+    640000       64000.00      33.830     -23.499      10.331 1151.401194   4.78 0.214 0.400 0.264 1.366     306.924     300.000       7.752    5 
+    650000       65000.00      30.027     -38.373      -8.347 1176.522211   4.67 0.214 0.700 0.327 0.551     272.419     300.000       7.577    5 
+    660000       66000.00      40.016     -41.799      -1.783 1181.031815   4.93 0.214 0.700 0.305 0.811     363.045     300.000       7.086    5 
+    670000       67000.00      26.692     -35.455      -8.764 1213.401255   6.16 0.214 0.769 0.395 0.620     242.162     300.000       6.902    5 
+    680000       68000.00      29.682     -44.917     -15.235 1228.085486   5.81 0.214 0.750 0.322 0.366     269.293     300.000       6.847    5 
+    690000       69000.00      38.288     -27.190      11.098 1246.061689   5.36 0.286 0.556 0.242 1.031     347.370     300.000       6.802    5 
+    700000       70000.00      34.661     -37.230      -2.569 1256.441668   5.54 0.357 0.545 0.298 0.770     314.466     300.000       6.848    5 
+    710000       71000.00      31.808     -26.155       5.653 1283.918708   5.13 0.214 0.400 0.273 0.635     288.579     300.000       7.801    5 
+    720000       72000.00      33.099     -24.847       8.251 1286.533950   4.47 0.143 0.750 0.420 0.715     300.287     300.000       7.801    5 
+    730000       73000.00      36.193     -38.565      -2.372 1298.868399   6.26 0.143 0.800 0.327 0.561     328.361     300.000       6.910    5 
+    740000       74000.00      43.198     -41.808       1.390 1304.031978   5.85 0.214 0.750 0.345 0.814     391.914     300.000       6.922    5 
+    750000       75000.00      30.071     -35.131      -5.060 1314.196999   4.55 0.214 0.700 0.232 0.846     272.818     300.000       7.672    5 
+    760000       76000.00      31.862     -30.913       0.948 1319.484241   4.52 0.286 0.667 0.428 0.772     289.065     300.000       7.055    5 
+    770000       77000.00      36.823     -42.450      -5.626 1327.131119   4.68 0.214 0.727 0.405 0.598     334.081     300.000       6.637    5 
+    780000       78000.00      35.789     -27.043       8.746 1342.442979   5.69 0.071 0.900 0.436 0.574     324.697     300.000       6.695    5 
+    790000       79000.00      28.519     -35.708      -7.189 1351.951682   4.84 0.214 0.769 0.402 0.635     258.741     300.000       6.992    5 
+    800000       80000.00      27.056     -38.648     -11.592 1363.534712   5.45 0.071 0.917 0.367 0.500     245.465     300.000       6.581    5 
+    810000       81000.00      37.666     -24.254      13.413 1370.196212   4.90 0.071 0.889 0.404 1.187     341.729     300.000       7.039    5 
+    820000       82000.00      33.630     -35.968      -2.338 1381.942327   4.54 0.143 0.750 0.267 0.338     305.113     300.000       7.355    5 
+    830000       83000.00      29.682     -32.070      -2.388 1420.098736   6.34 0.143 0.857 0.341 0.457     269.293     300.000       6.624    5 
+    840000       84000.00      37.374     -24.063      13.311 1455.415693   6.05 0.143 0.833 0.417 1.084     339.076     300.000       6.879    5 
+    850000       85000.00      31.669     -40.425      -8.755 1475.484502   6.55 0.143 0.857 0.302 0.380     287.321     300.000       6.715    5 
+    860000       86000.00      30.668     -41.669     -11.001 1477.526929   5.63 0.214 0.812 0.384 0.495     278.236     300.000       6.624    5 
+    870000       87000.00      33.794     -28.902       4.892 1501.829465   5.00 0.286 0.600 0.318 0.653     306.601     300.000       7.076    5 
+    880000       88000.00      38.174     -31.716       6.458 1514.263735   4.44 0.143 0.818 0.343 1.119     346.334     300.000       7.396    5 
+    890000       89000.00      28.595     -40.172     -11.577 1547.705398   4.66 0.143 0.800 0.291 0.334     259.427     300.000       7.385    5 
+    900000       90000.00      38.836     -41.709      -2.873 1571.213816   3.76 0.286 0.692 0.329 0.882     352.341     300.000       6.998    5 
+    910000       91000.00      28.098     -36.738      -8.640 1583.928609   3.31 0.357 0.545 0.207 0.632     254.922     300.000       6.850    5 
+    920000       92000.00      32.962     -35.474      -2.513 1625.110789   4.02 0.071 0.900 0.400 0.404     299.045     300.000       7.241    5 
+    930000       93000.00      38.020     -40.911      -2.890 1636.979126   2.96 0.429 0.684 0.352 0.561     344.940     300.000       6.627    5 
+    940000       94000.00      29.997     -35.261      -5.264 1652.809340   4.12 0.286 0.636 0.351 0.494     272.145     300.000       6.696    5 
+    950000       95000.00      36.607     -40.150      -3.543 1669.742711   3.81 0.286 0.692 0.357 0.870     332.114     300.000       6.541    5 
+    960000       96000.00      37.252     -43.506      -6.254 1673.329469   3.51 0.286 0.667 0.265 0.852     337.970     300.000       6.775    5 
+    970000       97000.00      30.381     -26.610       3.771 1691.431351   3.50 0.214 0.667 0.343 0.568     275.632     300.000       6.724    5 
+    980000       98000.00      33.238     -40.374      -7.136 1702.646516   4.02 0.357 0.545 0.310 0.477     301.550     300.000       6.921    5 
+    990000       99000.00      26.408     -38.181     -11.774 1710.907469   2.62 0.357 0.583 0.292 0.985     239.583     300.000       6.853    5 
+   1000000      100000.00      31.766     -42.223     -10.457 1734.825498   3.44 0.357 0.545 0.298 0.574     288.197     300.000       7.147    5 
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB006.stat b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB006.stat
index 2df2a14..151d2a4 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB006.stat
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB006.stat
@@ -1,101 +1,101 @@
          0           0.00      35.724      24.828      60.552    0.000000  12.87 0.000   NaN   NaN 0.708     324.108     300.000      15.552    6 
-     10000        1000.00      37.723     -13.828      23.895   21.948380  10.71 0.000   NaN   NaN 0.656     342.243     300.000      14.146    6 
-     20000        2000.00      38.356     -23.245      15.112   44.939396   6.89 0.000 1.000 0.197 0.445     347.987     300.000       9.291    6 
-     30000        3000.00      49.272     -21.750      27.522   58.937886   5.08 0.000 1.000 0.443 0.811     447.017     300.000       7.630    6 
-     40000        4000.00      30.291     -26.271       4.019   63.570762   3.66 0.071 0.800 0.300 1.080     274.812     300.000       7.108    6 
-     50000        5000.00      30.131     -23.021       7.110   82.104326   5.27 0.000 1.000 0.364 0.707     273.361     300.000       7.267    6 
-     60000        6000.00      34.692     -20.218      14.474   97.099835   5.95 0.143 0.333 0.167 1.127     314.740     300.000       8.599    6 
-     70000        7000.00      37.948     -23.363      14.585  123.670842   5.56 0.000 1.000 0.645 0.927     344.287     300.000       8.502    6 
-     80000        8000.00      35.612     -20.729      14.883  141.009197   5.42 0.071 0.857 0.370 1.333     323.089     300.000       7.988    6 
-     90000        9000.00      31.310     -26.051       5.259  194.904161   5.07 0.214 0.571 0.273 0.966     284.061     300.000       8.579    6 
-    100000       10000.00      30.505     -26.020       4.485  216.212269   5.66 0.143 0.600 0.345 0.500     276.753     300.000       7.810    6 
-    110000       11000.00      31.050     -21.787       9.263  218.232893   5.36 0.214 0.000 0.288 0.536     281.706     300.000       8.691    6 
-    120000       12000.00      32.684     -25.337       7.347  230.932793   5.46 0.143 0.750 0.222 0.840     296.525     300.000       8.058    6 
-    130000       13000.00      33.264     -33.457      -0.193  235.079676   3.37 0.286 0.692 0.360 0.604     301.792     300.000       6.825    6 
-    140000       14000.00      30.701     -36.323      -5.622  244.304297   4.25 0.143 0.800 0.345 0.685     278.534     300.000       6.878    6 
-    150000       15000.00      40.548     -24.396      16.152  262.590083   4.76 0.214 0.500 0.182 0.836     367.872     300.000       7.585    6 
-    160000       16000.00      36.903     -27.917       8.986  268.593477   6.75 0.214 0.667 0.212 0.614     334.807     300.000       7.469    6 
-    170000       17000.00      32.405     -30.321       2.084  290.798272   5.20 0.214 0.500 0.295 0.482     293.997     300.000       7.483    6 
-    180000       18000.00      29.060     -40.186     -11.126  302.363030   6.30 0.143 0.714 0.383 0.774     263.650     300.000       7.122    6 
-    190000       19000.00      36.626     -35.379       1.247  333.950127   4.98 0.357 0.583 0.390 0.704     332.291     300.000       6.964    6 
-    200000       20000.00      36.316     -35.103       1.213  361.950581   6.17 0.071 0.889 0.323 0.794     329.478     300.000       7.556    6 
-    210000       21000.00      27.963     -35.815      -7.852  372.113323   6.09 0.286 0.556 0.207 0.617     253.697     300.000       7.293    6 
-    220000       22000.00      28.091     -43.296     -15.204  379.423231   5.24 0.429 0.455 0.310 0.577     254.858     300.000       6.942    6 
-    230000       23000.00      38.442     -44.557      -6.115  429.570361   5.89 0.500 0.500 0.321 0.691     348.765     300.000       6.893    6 
-    240000       24000.00      27.710     -49.170     -21.459  439.933643   3.54 0.286 0.714 0.302 1.093     251.404     300.000       6.598    6 
-    250000       25000.00      28.620     -42.855     -14.235  454.532737   3.02 0.357 0.583 0.311 0.769     259.656     300.000       6.879    6 
-    260000       26000.00      31.407     -48.821     -17.414  459.999069   2.79 0.500 0.417 0.212 0.932     284.940     300.000       7.015    6 
-    270000       27000.00      37.324     -31.818       5.506  478.026183   4.09 0.214 0.667 0.202 0.494     338.623     300.000       7.767    6 
-    280000       28000.00      26.952     -44.911     -17.959  498.285783   3.73 0.286 0.692 0.325 0.386     244.525     300.000       6.939    6 
-    290000       29000.00      28.744     -37.546      -8.803  512.069439   2.04 0.429 0.455 0.256 0.515     260.779     300.000       7.075    6 
-    300000       30000.00      35.959     -29.862       6.096  529.537917   3.73 0.071 0.875 0.256 0.791     326.235     300.000       7.258    6 
-    310000       31000.00      33.911     -40.787      -6.876  541.624360   4.09 0.286 0.733 0.291 1.216     307.657     300.000       6.756    6 
-    320000       32000.00      31.335     -38.951      -7.616  549.916566   3.75 0.214 0.769 0.325 0.496     284.288     300.000       7.229    6 
-    330000       33000.00      31.077     -32.031      -0.954  576.090672   4.97 0.214 0.700 0.341 0.891     281.948     300.000       7.235    6 
-    340000       34000.00      36.141     -43.568      -7.427  587.870710   6.18 0.214 0.667 0.308 0.998     327.887     300.000       8.891    6 
-    350000       35000.00      28.393     -33.574      -5.182  606.919075   5.95 0.214 0.800 0.361 0.670     257.592     300.000       7.220    6 
-    360000       36000.00      25.256     -30.942      -5.686  627.278106   6.16 0.143 0.800 0.427 0.690     229.133     300.000       6.972    6 
-    370000       37000.00      27.720     -43.065     -15.345  637.509090   5.56 0.214 0.667 0.384 0.830     251.494     300.000       7.115    6 
-    380000       38000.00      31.810     -38.432      -6.622  660.035166   4.91 0.214 0.625 0.335 0.479     288.599     300.000       6.907    6 
-    390000       39000.00      31.828     -31.737       0.091  684.100975   2.83 0.357 0.545 0.318 0.979     288.756     300.000       6.733    6 
-    400000       40000.00      32.534     -35.511      -2.977  684.956826   2.41 0.357 0.444 0.242 0.544     295.166     300.000       7.048    6 
-    410000       41000.00      37.781     -39.009      -1.228  696.413621   2.99 0.286 0.556 0.242 0.701     342.767     300.000       6.931    6 
-    420000       42000.00      28.373     -34.107      -5.734  706.608028   2.56 0.286 0.556 0.258 0.969     257.419     300.000       7.066    6 
-    430000       43000.00      35.365     -37.329      -1.964  731.391345   3.71 0.571 0.500 0.304 1.116     320.847     300.000       6.469    6 
-    440000       44000.00      43.586     -43.642      -0.055  740.908811   3.47 0.286 0.692 0.346 0.583     395.438     300.000       6.916    6 
-    450000       45000.00      38.773     -41.362      -2.589  767.316156   4.30 0.500 0.588 0.329 0.634     351.766     300.000       6.969    6 
-    460000       46000.00      27.027     -31.417      -4.389  806.220441   2.32 0.429 0.500 0.242 0.701     245.206     300.000       7.090    6 
-    470000       47000.00      42.817     -34.048       8.768  842.197803   3.55 0.214 0.625 0.205 0.689     388.454     300.000       7.138    6 
-    480000       48000.00      39.899     -31.830       8.070  852.226840   3.56 0.214 0.769 0.441 1.512     361.989     300.000       6.735    6 
-    490000       49000.00      30.438     -44.087     -13.649  853.120632   3.34 0.429 0.600 0.364 1.324     276.151     300.000       6.818    6 
-    500000       50000.00      31.080     -39.606      -8.526  860.445765   3.04 0.429 0.714 0.370 0.950     281.977     300.000       6.629    6 
-    510000       51000.00      37.897     -38.588      -0.691  874.280380   3.39 0.286 0.692 0.339 0.376     343.822     300.000       6.878    6 
-    520000       52000.00      35.794     -40.772      -4.979  883.348235   3.30 0.429 0.500 0.417 0.512     324.738     300.000       6.832    6 
-    530000       53000.00      26.367     -44.210     -17.843  908.674799   2.60 0.429 0.538 0.304 0.725     239.215     300.000       6.559    6 
-    540000       54000.00      30.024     -42.989     -12.964  928.868900   4.36 0.286 0.692 0.378 0.985     272.398     300.000       6.553    6 
-    550000       55000.00      25.896     -26.856      -0.960  939.150488   3.03 0.143 0.800 0.314 0.720     234.940     300.000       7.068    6 
-    560000       56000.00      28.563     -27.558       1.006  950.821641   3.06 0.143 0.714 0.182 0.575     259.141     300.000       7.534    6 
-    570000       57000.00      28.702     -25.474       3.227  960.789439   4.00 0.143 0.833 0.307 0.447     260.396     300.000       6.837    6 
-    580000       58000.00      29.130     -31.760      -2.631  969.495167   4.91 0.214 0.625 0.267 0.455     264.278     300.000       7.611    6 
-    590000       59000.00      35.015     -32.379       2.636  985.913021   4.32 0.143 0.833 0.242 0.716     317.676     300.000       7.238    6 
-    600000       60000.00      29.456     -45.277     -15.821  990.972047   4.92 0.286 0.692 0.381 0.730     267.239     300.000       6.601    6 
-    610000       61000.00      28.766     -40.768     -12.002 1011.698743   4.54 0.357 0.667 0.367 0.881     260.980     300.000       6.951    6 
-    620000       62000.00      35.284     -42.680      -7.395 1018.859779   4.16 0.357 0.615 0.287 0.772     320.115     300.000       6.765    6 
-    630000       63000.00      28.666     -34.876      -6.210 1042.150220   4.38 0.214 0.667 0.343 0.580     260.074     300.000       6.665    6 
-    640000       64000.00      42.933     -43.244      -0.311 1046.313672   4.18 0.286 0.667 0.375 0.583     389.511     300.000       7.033    6 
-    650000       65000.00      43.598     -42.617       0.981 1055.248385   4.44 0.214 0.700 0.336 0.677     395.540     300.000       6.983    6 
-    660000       66000.00      27.265     -38.791     -11.526 1062.497908   4.42 0.286 0.556 0.364 0.768     247.361     300.000       6.798    6 
-    670000       67000.00      32.489     -45.253     -12.764 1076.117591   4.08 0.214 0.769 0.322 0.700     294.758     300.000       7.150    6 
-    680000       68000.00      34.044     -28.485       5.560 1101.250743   3.72 0.214 0.625 0.364 0.821     308.868     300.000       7.537    6 
-    690000       69000.00      35.094     -33.278       1.817 1109.413904   4.67 0.286 0.692 0.343 0.507     318.394     300.000       7.058    6 
-    700000       70000.00      25.569     -40.650     -15.081 1113.066115   3.96 0.286 0.667 0.314 0.663     231.974     300.000       7.217    6 
-    710000       71000.00      42.021     -40.862       1.159 1120.099521   4.01 0.214 0.769 0.343 0.599     381.240     300.000       6.653    6 
-    720000       72000.00      33.610     -33.688      -0.077 1126.383247   4.55 0.143 0.857 0.341 0.862     304.931     300.000       6.813    6 
-    730000       73000.00      39.878     -36.508       3.370 1132.232751   3.45 0.286 0.714 0.357 0.454     361.797     300.000       6.979    6 
-    740000       74000.00      40.340     -45.389      -5.049 1155.153927   3.65 0.429 0.647 0.369 0.915     365.984     300.000       6.420    6 
-    750000       75000.00      32.296     -43.174     -10.878 1168.325345   3.20 0.357 0.500 0.382 0.983     293.008     300.000       6.847    6 
-    760000       76000.00      31.176     -34.958      -3.783 1181.333175   3.01 0.286 0.714 0.312 0.690     282.842     300.000       6.746    6 
-    770000       77000.00      38.062     -44.769      -6.707 1193.987397   3.91 0.286 0.692 0.458 0.667     345.319     300.000       6.521    6 
-    780000       78000.00      32.625     -48.097     -15.472 1203.465320   3.78 0.500 0.562 0.386 0.987     295.994     300.000       6.506    6 
-    790000       79000.00      26.282     -41.795     -15.513 1230.172708   4.08 0.357 0.667 0.400 0.540     238.441     300.000       6.453    6 
-    800000       80000.00      35.818     -42.277      -6.459 1255.292043   3.60 0.214 0.750 0.258 0.836     324.958     300.000       7.220    6 
-    810000       81000.00      35.751     -27.546       8.205 1264.861923   4.50 0.143 0.833 0.348 1.183     324.350     300.000       6.951    6 
-    820000       82000.00      39.972     -43.054      -3.082 1272.426776   4.95 0.214 0.750 0.250 1.369     362.643     300.000       7.186    6 
-    830000       83000.00      38.823     -31.883       6.940 1301.664055   5.37 0.143 0.667 0.182 0.775     352.222     300.000       7.697    6 
-    840000       84000.00      33.888     -39.912      -6.024 1313.233500   7.39 0.357 0.583 0.205 0.827     307.449     300.000       7.877    6 
-    850000       85000.00      32.390     -35.748      -3.359 1326.707913   4.49 0.286 0.667 0.341 0.728     293.855     300.000       6.868    6 
-    860000       86000.00      31.679     -45.974     -14.295 1357.529037   3.06 0.429 0.571 0.325 0.773     287.410     300.000       6.498    6 
-    870000       87000.00      21.835     -32.735     -10.900 1373.731140   3.46 0.286 0.600 0.323 0.663     198.099     300.000       6.712    6 
-    880000       88000.00      24.016     -40.028     -16.013 1381.250009   3.34 0.357 0.615 0.413 0.457     217.882     300.000       6.703    6 
-    890000       89000.00      35.442     -36.964      -1.522 1389.016796   3.39 0.357 0.615 0.374 0.571     321.544     300.000       6.745    6 
-    900000       90000.00      29.839     -41.122     -11.282 1421.694860   2.83 0.286 0.692 0.273 0.371     270.718     300.000       6.984    6 
-    910000       91000.00      30.996     -40.257      -9.261 1426.838945   4.06 0.143 0.857 0.354 0.906     281.215     300.000       6.843    6 
-    920000       92000.00      35.947     -36.134      -0.187 1446.297329   3.04 0.286 0.556 0.268 1.476     326.133     300.000       6.678    6 
-    930000       93000.00      38.792     -38.039       0.753 1449.264709   4.18 0.286 0.636 0.310 0.593     351.944     300.000       7.255    6 
-    940000       94000.00      39.064     -48.645      -9.580 1458.404414   5.08 0.071 0.889 0.343 0.760     354.413     300.000       7.118    6 
-    950000       95000.00      35.778     -34.959       0.818 1469.023024   4.68 0.214 0.769 0.339 0.480     324.593     300.000       6.602    6 
-    960000       96000.00      29.975     -35.708      -5.733 1485.789585   2.38 0.500 0.300 0.314 1.057     271.944     300.000       7.593    6 
-    970000       97000.00      32.961     -35.636      -2.676 1509.768049   3.44 0.357 0.667 0.355 0.617     299.037     300.000       7.176    6 
-    980000       98000.00      40.869     -40.650       0.219 1537.709815   3.94 0.214 0.727 0.293 1.158     370.782     300.000       7.076    6 
-    990000       99000.00      34.184     -29.012       5.172 1545.438160   4.55 0.143 0.778 0.359 0.457     310.135     300.000       7.339    6 
-   1000000      100000.00      31.216     -27.360       3.857 1565.501634   5.01 0.214 0.571 0.357 0.471     283.210     300.000       7.534    6 
+     10000        1000.00      37.553     -31.613       5.940   21.783776   6.50 0.143 0.778 0.323 0.615     340.698     300.000       7.215    6 
+     20000        2000.00      35.741     -19.691      16.050   45.447308   6.97 0.071 0.900 0.373 1.631     324.259     300.000       7.347    6 
+     30000        3000.00      33.569     -18.078      15.492   63.451041   5.86 0.071 0.750 0.375 0.721     304.559     300.000       9.620    6 
+     40000        4000.00      29.147     -32.549      -3.402   95.995456   5.11 0.143 0.800 0.368 0.907     264.433     300.000       8.865    6 
+     50000        5000.00      26.621     -11.842      14.779  121.946161   5.96 0.071 0.833 0.265 0.671     241.521     300.000       7.936    6 
+     60000        6000.00      28.300     -38.472     -10.172  136.063264   6.05 0.143 0.714 0.338 0.350     256.757     300.000       7.623    6 
+     70000        7000.00      36.280     -39.975      -3.695  139.538719   3.51 0.357 0.643 0.321 0.885     329.152     300.000       7.087    6 
+     80000        8000.00      36.444     -37.322      -0.878  157.268459   6.00 0.286 0.667 0.348 1.464     330.638     300.000       6.578    6 
+     90000        9000.00      31.664     -44.273     -12.609  167.139867   4.85 0.286 0.600 0.309 0.853     287.273     300.000       7.043    6 
+    100000       10000.00      34.891     -33.960       0.932  175.078777   6.22 0.286 0.636 0.219 0.687     316.551     300.000       7.209    6 
+    110000       11000.00      41.870     -44.487      -2.617  186.347362   5.27 0.357 0.583 0.314 0.789     379.864     300.000       6.601    6 
+    120000       12000.00      38.778     -30.530       8.249  212.122068   5.22 0.500 0.417 0.295 0.306     351.818     300.000       7.192    6 
+    130000       13000.00      34.562     -40.966      -6.404  218.067940   3.50 0.214 0.667 0.293 0.899     313.563     300.000       7.278    6 
+    140000       14000.00      30.463     -30.939      -0.476  221.777093   4.16 0.214 0.625 0.256 1.336     276.377     300.000       7.677    6 
+    150000       15000.00      39.673     -35.067       4.606  240.881016   4.40 0.143 0.818 0.302 0.885     359.930     300.000       7.391    6 
+    160000       16000.00      37.861     -36.135       1.725  249.475940   4.97 0.214 0.750 0.326 0.308     343.493     300.000       6.815    6 
+    170000       17000.00      30.742     -23.241       7.501  266.426174   5.08 0.143 0.833 0.330 0.712     278.904     300.000       7.201    6 
+    180000       18000.00      32.327     -34.338      -2.011  292.631110   6.45 0.214 0.769 0.395 0.667     293.288     300.000       7.121    6 
+    190000       19000.00      29.672     -37.942      -8.271  302.318562   5.77 0.214 0.769 0.381 0.376     269.196     300.000       7.164    6 
+    200000       20000.00      31.909     -31.271       0.639  317.806197   5.23 0.286 0.556 0.237 0.719     289.498     300.000       7.135    6 
+    210000       21000.00      37.335     -36.158       1.178  334.927233   4.77 0.214 0.786 0.367 0.945     338.726     300.000       6.861    6 
+    220000       22000.00      33.638     -44.025     -10.388  347.108091   4.55 0.143 0.818 0.492 0.756     305.177     300.000       7.077    6 
+    230000       23000.00      31.995     -31.820       0.175  383.896732   6.31 0.286 0.500 0.182 0.674     290.276     300.000       9.857    6 
+    240000       24000.00      35.363     -27.564       7.798  401.728569   6.82 0.143 0.667 0.265 0.816     320.827     300.000       9.455    6 
+    250000       25000.00      40.680     -31.654       9.026  411.372868   4.59 0.071 0.857 0.266 1.486     369.072     300.000       7.437    6 
+    260000       26000.00      27.157     -38.286     -11.130  420.732557   4.39 0.214 0.750 0.360 0.393     246.379     300.000       7.476    6 
+    270000       27000.00      30.647     -35.905      -5.257  441.223397   5.06 0.143 0.778 0.273 0.727     278.046     300.000       7.857    6 
+    280000       28000.00      35.871     -31.948       3.923  464.726634   5.15 0.357 0.500 0.205 0.345     325.444     300.000       8.136    6 
+    290000       29000.00      36.841     -27.993       8.848  483.502060   4.55 0.214 0.625 0.347 1.342     334.239     300.000       7.581    6 
+    300000       30000.00      29.694     -35.889      -6.195  499.322183   4.53 0.214 0.750 0.402 0.839     269.400     300.000       7.086    6 
+    310000       31000.00      28.218     -37.057      -8.839  518.087681   5.37 0.214 0.625 0.261 0.642     256.007     300.000       7.099    6 
+    320000       32000.00      34.580     -36.859      -2.279  552.808351   4.97 0.286 0.556 0.258 0.679     313.728     300.000       7.534    6 
+    330000       33000.00      35.120     -45.005      -9.885  562.681558   5.16 0.500 0.500 0.292 0.556     318.628     300.000       6.877    6 
+    340000       34000.00      30.271     -41.309     -11.038  582.289051   5.08 0.500 0.588 0.318 0.974     274.637     300.000       6.724    6 
+    350000       35000.00      32.638     -32.284       0.354  584.907492   5.08 0.143 0.778 0.424 0.800     296.108     300.000       7.116    6 
+    360000       36000.00      31.277     -36.734      -5.457  590.429243   5.27 0.286 0.692 0.262 0.558     283.757     300.000       6.755    6 
+    370000       37000.00      31.393     -35.838      -4.445  611.226060   6.30 0.286 0.750 0.307 0.589     284.815     300.000       6.578    6 
+    380000       38000.00      36.455     -39.594      -3.139  617.654409   4.19 0.357 0.500 0.250 0.743     330.741     300.000       7.264    6 
+    390000       39000.00      39.835     -32.975       6.861  625.855641   4.79 0.286 0.692 0.339 1.026     361.405     300.000       6.672    6 
+    400000       40000.00      35.904     -39.781      -3.877  627.216552   5.27 0.429 0.667 0.348 0.422     325.736     300.000       6.552    6 
+    410000       41000.00      36.564     -36.226       0.337  649.610876   6.26 0.286 0.636 0.397 0.594     331.726     300.000       6.962    6 
+    420000       42000.00      31.777     -43.811     -12.033  660.594606   5.79 0.286 0.667 0.261 0.801     288.301     300.000       6.951    6 
+    430000       43000.00      34.364     -34.527      -0.164  666.664261   5.09 0.357 0.545 0.388 1.104     311.766     300.000       7.065    6 
+    440000       44000.00      31.610     -37.862      -6.251  670.419224   5.39 0.429 0.538 0.245 0.465     286.787     300.000       7.096    6 
+    450000       45000.00      37.905     -36.595       1.310  682.205253   4.79 0.357 0.615 0.220 0.508     343.892     300.000       7.049    6 
+    460000       46000.00      30.852     -34.534      -3.682  717.737097   4.57 0.357 0.500 0.273 0.903     279.909     300.000       7.279    6 
+    470000       47000.00      29.902     -32.727      -2.825  729.451346   6.11 0.143 0.714 0.416 0.497     271.284     300.000       7.296    6 
+    480000       48000.00      25.481     -17.649       7.832  741.075306   4.93 0.143 0.500 0.227 0.744     231.181     300.000       8.129    6 
+    490000       49000.00      30.839     -27.916       2.923  783.719141   6.06 0.214 0.667 0.359 0.582     279.786     300.000       7.120    6 
+    500000       50000.00      40.648     -36.473       4.174  809.189261   5.70 0.357 0.545 0.331 1.090     368.776     300.000       7.149    6 
+    510000       51000.00      35.582     -36.113      -0.531  836.657789   5.55 0.286 0.556 0.222 1.186     322.819     300.000       7.275    6 
+    520000       52000.00      35.019     -35.548      -0.529  857.770970   5.12 0.214 0.824 0.313 0.447     317.710     300.000       7.399    6 
+    530000       53000.00      33.528     -42.983      -9.455  900.215028   5.12 0.214 0.769 0.290 0.649     304.179     300.000       7.025    6 
+    540000       54000.00      29.758     -31.544      -1.787  914.813843   6.36 0.214 0.625 0.250 0.496     269.978     300.000       7.610    6 
+    550000       55000.00      22.908     -36.240     -13.332  931.599218   3.78 0.214 0.786 0.334 0.463     207.836     300.000       7.452    6 
+    560000       56000.00      37.234     -32.221       5.013  955.244709   4.42 0.214 0.700 0.268 0.708     337.811     300.000       8.126    6 
+    570000       57000.00      33.750     -33.158       0.592  973.943473   4.73 0.286 0.667 0.292 0.380     306.198     300.000       7.386    6 
+    580000       58000.00      33.287     -23.704       9.583 1006.939700   4.47 0.357 0.545 0.314 0.731     301.997     300.000       7.787    6 
+    590000       59000.00      32.533     -38.962      -6.428 1017.254719   4.50 0.286 0.733 0.370 0.877     295.159     300.000       7.116    6 
+    600000       60000.00      29.125     -42.012     -12.887 1030.892258   4.98 0.286 0.714 0.328 0.462     264.240     300.000       7.074    6 
+    610000       61000.00      28.618     -41.867     -13.250 1055.353663   6.56 0.071 0.889 0.288 1.801     259.634     300.000       7.145    6 
+    620000       62000.00      28.925     -41.702     -12.777 1078.716476   7.30 0.143 0.667 0.174 0.696     262.423     300.000       7.733    6 
+    630000       63000.00      35.443     -36.955      -1.512 1076.939113   5.94 0.214 0.625 0.182 0.677     321.555     300.000       8.364    6 
+    640000       64000.00      32.524     -41.909      -9.385 1087.319515   4.94 0.143 0.846 0.269 0.771     295.075     300.000       6.945    6 
+    650000       65000.00      29.877     -33.024      -3.146 1109.077971   4.03 0.143 0.833 0.390 1.106     271.061     300.000       6.606    6 
+    660000       66000.00      29.325     -35.256      -5.930 1117.605438   4.00 0.286 0.667 0.303 1.124     266.056     300.000       6.720    6 
+    670000       67000.00      31.876     -41.540      -9.664 1141.751372   4.67 0.357 0.615 0.231 0.777     289.194     300.000       7.327    6 
+    680000       68000.00      35.165     -40.649      -5.484 1168.827737   3.77 0.357 0.643 0.347 0.679     319.031     300.000       6.878    6 
+    690000       69000.00      33.979     -41.631      -7.652 1182.984916   3.55 0.429 0.500 0.352 1.118     308.271     300.000       7.536    6 
+    700000       70000.00      36.712     -26.370      10.342 1197.978358   3.86 0.143 0.750 0.307 0.338     333.067     300.000       6.675    6 
+    710000       71000.00      26.764     -39.442     -12.679 1205.850668   4.48 0.214 0.769 0.385 0.429     242.813     300.000       6.655    6 
+    720000       72000.00      41.239     -32.779       8.460 1226.038457   3.50 0.286 0.556 0.399 0.278     374.145     300.000       7.201    6 
+    730000       73000.00      35.590     -41.698      -6.108 1257.639897   3.97 0.357 0.615 0.437 0.604     322.887     300.000       6.721    6 
+    740000       74000.00      25.133     -37.412     -12.279 1264.161443   4.77 0.143 0.833 0.375 1.114     228.024     300.000       6.617    6 
+    750000       75000.00      37.394     -36.593       0.801 1276.695712   4.76 0.429 0.571 0.331 0.637     339.255     300.000       6.234    6 
+    760000       76000.00      38.644     -41.077      -2.432 1310.144539   2.54 0.357 0.500 0.295 0.746     350.602     300.000       7.003    6 
+    770000       77000.00      30.182     -33.820      -3.638 1320.451543   3.87 0.357 0.583 0.333 0.577     273.826     300.000       7.494    6 
+    780000       78000.00      35.507     -34.173       1.334 1341.590221   3.75 0.286 0.667 0.386 0.842     322.137     300.000       6.630    6 
+    790000       79000.00      35.379     -43.757      -8.378 1351.004794   3.73 0.214 0.727 0.351 0.977     320.975     300.000       6.579    6 
+    800000       80000.00      28.388     -42.421     -14.033 1355.358898   3.17 0.500 0.562 0.290 0.821     257.547     300.000       6.397    6 
+    810000       81000.00      34.266     -44.011      -9.745 1367.794301   3.60 0.214 0.750 0.227 0.693     310.879     300.000       7.325    6 
+    820000       82000.00      34.644     -39.191      -4.546 1386.824708   6.65 0.286 0.667 0.212 0.641     314.311     300.000       7.766    6 
+    830000       83000.00      30.139     -42.151     -12.012 1402.948082   6.17 0.286 0.636 0.211 0.764     273.435     300.000       7.198    6 
+    840000       84000.00      33.010     -35.641      -2.630 1424.100072   7.43 0.214 0.571 0.182 0.673     299.487     300.000       7.573    6 
+    850000       85000.00      31.182     -46.946     -15.764 1445.147329   6.92 0.286 0.556 0.222 0.364     282.903     300.000       7.504    6 
+    860000       86000.00      39.021     -33.426       5.595 1447.132449   7.40 0.071 0.750 0.170 0.741     354.019     300.000       7.865    6 
+    870000       87000.00      27.165     -39.316     -12.151 1452.052177   5.54 0.286 0.636 0.244 0.749     246.454     300.000       7.769    6 
+    880000       88000.00      29.143     -34.949      -5.806 1478.739706   3.32 0.286 0.556 0.177 0.782     264.404     300.000       7.677    6 
+    890000       89000.00      32.166     -41.173      -9.007 1500.414870   6.87 0.143 0.750 0.216 1.447     291.823     300.000       7.925    6 
+    900000       90000.00      39.408     -30.779       8.629 1536.412752   5.30 0.429 0.400 0.182 1.283     357.528     300.000       8.201    6 
+    910000       91000.00      37.882     -36.266       1.616 1567.689642   3.64 0.429 0.625 0.324 1.051     343.683     300.000       7.139    6 
+    920000       92000.00      32.509     -37.578      -5.069 1594.601993   4.43 0.000 1.000 0.444 0.689     294.940     300.000       7.810    6 
+    930000       93000.00      30.857     -35.224      -4.367 1594.159511   4.32 0.286 0.500 0.233 0.935     279.951     300.000       7.169    6 
+    940000       94000.00      32.885     -40.900      -8.016 1607.940092   4.92 0.286 0.692 0.332 1.416     298.345     300.000       6.848    6 
+    950000       95000.00      34.503     -39.206      -4.703 1624.966608   5.02 0.286 0.500 0.205 0.732     313.033     300.000       7.541    6 
+    960000       96000.00      37.306     -34.473       2.833 1651.713198   3.83 0.286 0.556 0.197 0.520     338.457     300.000       7.271    6 
+    970000       97000.00      34.042     -41.262      -7.220 1654.787758   6.21 0.143 0.846 0.357 0.905     308.846     300.000       6.726    6 
+    980000       98000.00      34.559     -31.754       2.806 1661.626938   4.53 0.143 0.778 0.253 1.266     313.541     300.000       7.051    6 
+    990000       99000.00      39.245     -30.487       8.758 1676.415589   5.17 0.286 0.500 0.347 0.814     356.047     300.000       6.984    6 
+   1000000      100000.00      36.676     -36.830      -0.154 1676.950438   4.61 0.143 0.778 0.273 0.923     332.744     300.000       7.720    6 
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB007.stat b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB007.stat
index a2d04de..3285840 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB007.stat
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB007.stat
@@ -1,101 +1,101 @@
          0           0.00      37.313      24.828      62.141    0.000000  12.87 0.000   NaN   NaN 0.708     338.523     300.000      15.552    7 
-     10000        1000.00      33.532     -16.593      16.939   12.736559   4.65 0.071 0.800 0.491 0.662     304.221     300.000       8.794    7 
-     20000        2000.00      35.205     -26.376       8.829   57.850859   4.80 0.143 0.750 0.517 0.639     319.400     300.000       8.073    7 
-     30000        3000.00      32.271     -20.211      12.060   69.415355   4.78 0.214 0.400 0.218 0.730     292.782     300.000       9.253    7 
-     40000        4000.00      40.360     -10.727      29.633   97.495965   6.21 0.000 1.000 0.455 0.701     366.163     300.000       9.177    7 
-     50000        5000.00      30.335     -15.962      14.373  136.164022   5.48 0.071 0.800 0.436 0.354     275.213     300.000       9.013    7 
-     60000        6000.00      35.454      -8.831      26.624  149.943561   5.23 0.214 0.400 0.282 0.800     321.660     300.000       9.021    7 
-     70000        7000.00      29.626     -30.156      -0.530  211.547787   5.90 0.071 0.750 0.489 0.449     268.779     300.000       8.801    7 
-     80000        8000.00      30.294     -10.776      19.519  216.670112   5.23 0.143 0.667 0.220 0.632     274.847     300.000       8.044    7 
-     90000        9000.00      34.068     -29.549       4.519  225.958753   5.98 0.143 0.750 0.341 0.361     309.082     300.000       7.676    7 
-    100000       10000.00      31.674     -23.085       8.589  247.683637   5.83 0.143 0.600 0.218 1.131     287.367     300.000       9.129    7 
-    110000       11000.00      37.938     -19.331      18.607  263.405959   6.11 0.071 0.857 0.292 1.067     344.197     300.000       8.343    7 
-    120000       12000.00      30.528     -31.133      -0.605  283.410249   5.35 0.143 0.750 0.267 0.797     276.967     300.000       7.277    7 
-    130000       13000.00      29.755     -21.255       8.500  321.182409   5.75 0.143 0.600 0.227 0.752     269.950     300.000       8.561    7 
-    140000       14000.00      33.433     -20.540      12.893  351.169104   6.01 0.000 1.000 0.443 0.705     303.321     300.000       8.975    7 
-    150000       15000.00      31.373     -30.582       0.791  376.285375   8.12 0.143 0.714 0.253 0.818     284.635     300.000      10.132    7 
-    160000       16000.00      36.828     -43.334      -6.506  381.105704   4.92 0.143 0.846 0.374 1.029     334.127     300.000       6.570    7 
-    170000       17000.00      29.366     -44.145     -14.779  404.357899   4.30 0.214 0.750 0.375 0.598     266.425     300.000       7.258    7 
-    180000       18000.00      37.762     -38.294      -0.532  414.998990   5.28 0.214 0.571 0.208 0.648     342.600     300.000       7.714    7 
-    190000       19000.00      38.303     -34.520       3.783  422.353301   4.65 0.143 0.750 0.227 0.553     347.502     300.000       7.957    7 
-    200000       20000.00      34.978     -33.002       1.977  430.740353   6.44 0.357 0.643 0.231 0.464     317.341     300.000       7.202    7 
-    210000       21000.00      32.961     -29.866       3.095  440.384998   3.57 0.286 0.500 0.182 0.803     299.042     300.000       8.342    7 
-    220000       22000.00      37.585     -40.497      -2.912  469.444314   6.54 0.357 0.583 0.265 1.017     340.988     300.000       7.199    7 
-    230000       23000.00      28.697     -42.983     -14.286  480.012400   4.81 0.286 0.600 0.205 0.403     260.355     300.000       7.316    7 
-    240000       24000.00      29.399     -34.059      -4.660  508.721025   4.41 0.286 0.556 0.242 0.622     266.719     300.000       6.990    7 
-    250000       25000.00      32.167     -36.970      -4.803  528.399845   6.02 0.429 0.538 0.231 1.197     291.834     300.000       6.990    7 
-    260000       26000.00      34.249     -34.160       0.089  529.772804   5.68 0.357 0.500 0.227 0.568     310.721     300.000       7.026    7 
-    270000       27000.00      36.723     -35.806       0.917  540.116898   4.93 0.143 0.750 0.267 0.511     333.169     300.000       7.226    7 
-    280000       28000.00      41.383     -39.547       1.836  559.925335   6.70 0.143 0.667 0.205 0.430     375.450     300.000       7.195    7 
-    290000       29000.00      32.134     -38.007      -5.874  566.553802   6.53 0.214 0.769 0.406 0.896     291.534     300.000       6.612    7 
-    300000       30000.00      36.086     -32.328       3.758  575.007595   4.80 0.143 0.667 0.333 0.264     327.392     300.000       6.977    7 
-    310000       31000.00      24.734     -35.936     -11.202  580.739749   5.03 0.429 0.625 0.321 1.092     224.404     300.000       6.363    7 
-    320000       32000.00      34.040     -36.954      -2.914  602.648992   5.39 0.286 0.500 0.250 0.521     308.832     300.000       7.200    7 
-    330000       33000.00      32.139     -37.715      -5.576  621.427442   4.84 0.286 0.636 0.260 0.535     291.579     300.000       7.262    7 
-    340000       34000.00      30.234     -46.161     -15.927  633.199448   4.64 0.286 0.600 0.236 0.829     274.298     300.000       7.469    7 
-    350000       35000.00      34.881     -26.899       7.981  645.281789   5.29 0.357 0.615 0.374 0.672     316.456     300.000       7.012    7 
-    360000       36000.00      36.543     -41.564      -5.021  691.677938   5.60 0.357 0.667 0.358 0.607     331.533     300.000       6.819    7 
-    370000       37000.00      33.962     -38.158      -4.196  702.520655   6.65 0.214 0.667 0.308 0.721     308.119     300.000       7.014    7 
-    380000       38000.00      34.849     -34.540       0.309  717.117668   5.45 0.286 0.667 0.330 0.388     316.168     300.000       6.894    7 
-    390000       39000.00      30.552     -35.806      -5.254  721.847234   5.30 0.286 0.692 0.322 0.934     277.185     300.000       6.707    7 
-    400000       40000.00      32.867     -36.469      -3.602  740.713281   5.36 0.286 0.714 0.393 0.582     298.188     300.000       7.019    7 
-    410000       41000.00      34.234     -37.079      -2.845  762.549829   5.09 0.143 0.833 0.337 0.606     310.589     300.000       6.889    7 
-    420000       42000.00      29.917     -34.636      -4.719  785.162211   5.99 0.143 0.833 0.280 1.030     271.423     300.000       7.020    7 
-    430000       43000.00      33.944     -42.590      -8.646  793.316352   5.29 0.429 0.667 0.311 0.978     307.955     300.000       6.535    7 
-    440000       44000.00      29.072     -33.213      -4.142  825.326103   5.41 0.286 0.636 0.227 0.621     263.752     300.000       7.372    7 
-    450000       45000.00      31.012     -36.360      -5.348  836.894500   4.98 0.357 0.500 0.273 0.969     281.359     300.000       6.991    7 
-    460000       46000.00      31.420     -37.919      -6.499  838.079116   5.69 0.357 0.667 0.285 1.102     285.057     300.000       6.934    7 
-    470000       47000.00      31.793     -47.945     -16.151  848.655772   5.86 0.357 0.545 0.376 0.867     288.445     300.000       6.639    7 
-    480000       48000.00      37.661     -33.882       3.780  878.262694   5.21 0.214 0.667 0.338 0.950     341.683     300.000       6.940    7 
-    490000       49000.00      32.511     -39.250      -6.740  898.431097   5.67 0.286 0.600 0.214 0.963     294.954     300.000       7.171    7 
-    500000       50000.00      29.832     -34.922      -5.090  907.266528   5.20 0.143 0.833 0.364 0.568     270.652     300.000       6.668    7 
-    510000       51000.00      34.338     -18.217      16.121  915.213981   6.21 0.286 0.600 0.227 0.435     311.535     300.000       7.032    7 
-    520000       52000.00      35.362     -39.606      -4.244  946.489841   4.23 0.286 0.636 0.281 1.068     320.820     300.000       7.468    7 
-    530000       53000.00      21.421     -38.355     -16.934  953.686175   5.08 0.286 0.556 0.232 0.705     194.343     300.000       7.409    7 
-    540000       54000.00      31.592     -33.744      -2.152  979.352326   5.31 0.143 0.800 0.359 0.555     286.616     300.000       7.192    7 
-    550000       55000.00      33.429     -38.569      -5.140 1005.384069   5.82 0.143 0.778 0.399 0.821     303.285     300.000       7.199    7 
-    560000       56000.00      25.513     -27.836      -2.323 1042.306504   4.56 0.286 0.600 0.191 0.521     231.467     300.000       7.418    7 
-    570000       57000.00      36.466     -34.928       1.539 1054.209265   4.76 0.286 0.600 0.236 0.479     330.842     300.000       7.232    7 
-    580000       58000.00      25.535     -35.810     -10.276 1070.576509   5.45 0.286 0.667 0.284 0.744     231.664     300.000       6.865    7 
-    590000       59000.00      26.210     -44.550     -18.340 1103.875040   4.59 0.357 0.375 0.256 0.615     237.791     300.000       7.005    7 
-    600000       60000.00      34.826     -29.494       5.332 1118.034633   4.38 0.500 0.417 0.322 0.511     315.959     300.000       7.469    7 
-    610000       61000.00      26.015     -37.427     -11.412 1139.269219   5.59 0.286 0.667 0.303 0.635     236.021     300.000       7.187    7 
-    620000       62000.00      35.920     -46.034     -10.115 1151.336651   5.73 0.357 0.643 0.286 0.593     325.882     300.000       6.640    7 
-    630000       63000.00      33.531     -34.723      -1.192 1155.263952   6.19 0.143 0.667 0.348 0.538     304.211     300.000       6.989    7 
-    640000       64000.00      26.119     -35.250      -9.131 1171.014392   5.28 0.214 0.571 0.253 0.570     236.967     300.000       6.922    7 
-    650000       65000.00      35.242     -42.344      -7.102 1220.459568   5.43 0.357 0.545 0.202 0.364     319.732     300.000       7.339    7 
-    660000       66000.00      34.295     -36.584      -2.289 1228.734214   4.55 0.214 0.750 0.352 1.305     311.140     300.000       6.954    7 
-    670000       67000.00      35.179     -37.838      -2.659 1237.614813   4.67 0.429 0.400 0.314 0.463     319.161     300.000       6.964    7 
-    680000       68000.00      38.451     -36.329       2.122 1260.225554   5.00 0.286 0.600 0.209 0.630     348.847     300.000       7.439    7 
-    690000       69000.00      31.934     -33.113      -1.178 1283.657513   5.64 0.000 1.000 0.189 0.484     289.725     300.000       7.800    7 
-    700000       70000.00      42.983     -33.099       9.884 1305.873635   4.77 0.286 0.556 0.293 0.809     389.961     300.000       6.722    7 
-    710000       71000.00      34.349     -34.411      -0.062 1307.766701   5.23 0.214 0.700 0.277 1.038     311.632     300.000       7.087    7 
-    720000       72000.00      30.280     -40.437     -10.157 1316.482299   5.54 0.286 0.692 0.322 1.191     274.718     300.000       6.470    7 
-    730000       73000.00      31.035     -23.178       7.857 1324.957040   4.99 0.143 0.778 0.278 0.585     281.569     300.000       6.759    7 
-    740000       74000.00      32.259     -42.370     -10.112 1339.053544   4.60 0.214 0.625 0.352 0.916     292.668     300.000       7.461    7 
-    750000       75000.00      28.201     -30.324      -2.123 1357.293982   5.96 0.286 0.667 0.314 0.679     255.857     300.000       7.037    7 
-    760000       76000.00      41.094     -33.635       7.459 1408.826144   4.62 0.214 0.769 0.238 1.061     372.827     300.000       7.125    7 
-    770000       77000.00      38.888     -33.008       5.880 1417.589943   5.22 0.214 0.500 0.250 0.714     352.812     300.000       7.579    7 
-    780000       78000.00      31.926     -34.019      -2.093 1440.196817   4.63 0.286 0.636 0.314 1.136     289.651     300.000       7.129    7 
-    790000       79000.00      32.447     -29.240       3.208 1453.525338   5.18 0.143 0.714 0.292 0.780     294.380     300.000       7.781    7 
-    800000       80000.00      37.075     -37.047       0.028 1498.478575   3.94 0.429 0.500 0.307 0.889     336.364     300.000       7.377    7 
-    810000       81000.00      28.654     -24.602       4.052 1509.481950   5.42 0.143 0.750 0.295 0.876     259.963     300.000       7.962    7 
-    820000       82000.00      33.773     -28.394       5.378 1519.650824   6.07 0.214 0.700 0.359 0.584     306.402     300.000       7.075    7 
-    830000       83000.00      33.110     -35.683      -2.572 1559.130672   6.34 0.214 0.769 0.392 0.611     300.395     300.000       6.668    7 
-    840000       84000.00      30.043     -39.082      -9.039 1575.061052   5.92 0.286 0.714 0.351 0.911     272.567     300.000       6.940    7 
-    850000       85000.00      29.317     -22.278       7.038 1611.331886   5.64 0.286 0.692 0.367 0.575     265.975     300.000       6.834    7 
-    860000       86000.00      32.805     -28.597       4.207 1622.969603   5.44 0.214 0.727 0.409 0.582     297.620     300.000       6.767    7 
-    870000       87000.00      31.284     -38.549      -7.266 1654.812269   5.46 0.214 0.750 0.333 0.559     283.821     300.000       6.865    7 
-    880000       88000.00      36.037     -38.815      -2.778 1686.954595   5.36 0.214 0.786 0.419 1.344     326.947     300.000       7.089    7 
-    890000       89000.00      40.020     -25.860      14.159 1708.860141   5.02 0.143 0.846 0.360 0.775     363.078     300.000       6.821    7 
-    900000       90000.00      34.854     -26.898       7.957 1715.445089   4.56 0.143 0.750 0.369 0.832     316.216     300.000       7.077    7 
-    910000       91000.00      35.341     -34.192       1.149 1728.142177   4.41 0.143 0.667 0.333 0.347     320.632     300.000       7.711    7 
-    920000       92000.00      34.056     -34.261      -0.205 1746.848504   4.28 0.214 0.667 0.207 0.908     308.970     300.000       6.945    7 
-    930000       93000.00      32.034     -41.311      -9.276 1767.410741   4.77 0.214 0.800 0.364 0.406     290.630     300.000       6.590    7 
-    940000       94000.00      31.046     -37.462      -6.416 1772.606335   5.21 0.143 0.778 0.374 0.535     281.665     300.000       6.782    7 
-    950000       95000.00      33.224     -38.595      -5.371 1792.347331   6.18 0.143 0.818 0.409 0.462     301.425     300.000       6.784    7 
-    960000       96000.00      40.493     -37.338       3.155 1795.234770   5.88 0.071 0.909 0.405 0.722     367.370     300.000       7.030    7 
-    970000       97000.00      30.249     -34.126      -3.876 1825.352712   4.23 0.286 0.600 0.286 0.675     274.438     300.000       7.190    7 
-    980000       98000.00      32.500     -34.260      -1.760 1858.467547   4.71 0.214 0.786 0.305 0.513     294.858     300.000       6.895    7 
-    990000       99000.00      34.471     -37.555      -3.084 1870.450045   6.41 0.214 0.769 0.332 0.882     312.741     300.000       6.934    7 
-   1000000      100000.00      29.626     -39.558      -9.932 1876.326016   5.64 0.214 0.667 0.253 0.645     268.780     300.000       6.906    7 
+     10000        1000.00      28.280     -19.218       9.062   17.793566   4.91 0.143 0.600 0.382 1.153     256.569     300.000       8.412    7 
+     20000        2000.00      41.965     -32.570       9.395   61.834030   4.56 0.214 0.625 0.290 1.340     380.729     300.000       8.525    7 
+     30000        3000.00      28.676     -31.008      -2.333   82.338210   4.48 0.143 0.500 0.341 0.643     260.159     300.000       8.086    7 
+     40000        4000.00      30.681     -26.814       3.866  130.033317   4.63 0.143 0.714 0.435 0.808     278.350     300.000       8.290    7 
+     50000        5000.00      35.450     -33.779       1.671  144.075320   4.62 0.429 0.647 0.310 0.506     321.621     300.000       7.288    7 
+     60000        6000.00      37.412     -25.509      11.903  153.009809   3.24 0.214 0.571 0.370 0.891     339.421     300.000       7.570    7 
+     70000        7000.00      43.892     -30.374      13.518  164.560809   3.58 0.143 0.818 0.380 0.776     398.215     300.000       6.888    7 
+     80000        8000.00      39.523     -44.652      -5.130  174.133185   3.59 0.357 0.500 0.364 0.508     358.570     300.000       7.254    7 
+     90000        9000.00      25.932     -38.230     -12.299  190.108718   4.50 0.429 0.500 0.348 0.914     235.265     300.000       7.648    7 
+    100000       10000.00      39.442     -39.885      -0.444  209.040394   5.19 0.286 0.750 0.389 0.731     357.835     300.000       6.862    7 
+    110000       11000.00      30.678     -33.695      -3.016  225.871757   4.75 0.214 0.700 0.386 0.697     278.330     300.000       6.986    7 
+    120000       12000.00      26.837     -40.133     -13.296  256.789904   4.77 0.357 0.688 0.304 0.458     243.478     300.000       6.796    7 
+    130000       13000.00      35.314     -38.232      -2.918  269.268096   4.94 0.286 0.667 0.330 0.779     320.384     300.000       6.886    7 
+    140000       14000.00      34.690     -43.149      -8.459  289.636889   4.75 0.357 0.583 0.390 1.001     314.728     300.000       6.725    7 
+    150000       15000.00      30.623     -30.752      -0.129  289.837815   4.94 0.357 0.615 0.336 0.892     277.832     300.000       6.927    7 
+    160000       16000.00      27.732     -40.695     -12.964  300.423467   4.54 0.286 0.636 0.355 0.705     251.596     300.000       6.959    7 
+    170000       17000.00      30.871     -44.239     -13.369  306.042303   4.94 0.214 0.750 0.424 0.639     280.075     300.000       7.208    7 
+    180000       18000.00      27.130     -43.618     -16.488  311.486360   4.04 0.286 0.692 0.343 0.628     246.133     300.000       7.325    7 
+    190000       19000.00      31.534     -36.891      -5.357  329.575277   3.76 0.214 0.700 0.264 1.024     286.092     300.000       7.144    7 
+    200000       20000.00      36.527     -36.054       0.472  352.551516   5.20 0.214 0.786 0.318 0.670     331.390     300.000       6.876    7 
+    210000       21000.00      31.765     -41.159      -9.394  386.033002   5.76 0.214 0.727 0.331 0.532     288.188     300.000       6.917    7 
+    220000       22000.00      33.384     -35.212      -1.828  395.698709   4.95 0.214 0.625 0.307 0.904     302.876     300.000       7.517    7 
+    230000       23000.00      39.225     -38.000       1.225  405.416875   5.35 0.286 0.333 0.167 0.881     355.871     300.000       9.470    7 
+    240000       24000.00      35.771     -42.048      -6.278  411.968405   4.47 0.286 0.750 0.361 1.222     324.529     300.000       6.661    7 
+    250000       25000.00      30.072     -42.483     -12.410  422.283208   4.69 0.286 0.667 0.466 1.072     272.830     300.000       6.894    7 
+    260000       26000.00      25.712     -26.436      -0.724  428.562277   4.49 0.214 0.700 0.436 0.489     233.271     300.000       7.265    7 
+    270000       27000.00      33.788     -31.382       2.406  438.860725   4.15 0.071 0.833 0.326 0.763     306.543     300.000       7.960    7 
+    280000       28000.00      29.710     -27.470       2.241  463.744871   4.31 0.214 0.700 0.245 0.525     269.547     300.000       7.323    7 
+    290000       29000.00      34.259     -36.151      -1.892  481.722714   5.01 0.286 0.636 0.269 0.654     310.813     300.000       7.050    7 
+    300000       30000.00      35.678     -36.748      -1.070  484.845076   3.83 0.214 0.667 0.333 0.699     323.692     300.000       7.059    7 
+    310000       31000.00      31.713     -46.566     -14.853  493.911631   4.35 0.429 0.667 0.328 1.082     287.715     300.000       6.880    7 
+    320000       32000.00      25.377     -40.522     -15.145  508.260312   3.70 0.286 0.556 0.278 0.664     230.229     300.000       6.845    7 
+    330000       33000.00      30.323     -39.315      -8.991  523.628340   2.58 0.286 0.750 0.347 1.020     275.110     300.000       6.561    7 
+    340000       34000.00      33.058     -39.744      -6.685  535.890002   3.40 0.357 0.667 0.370 0.368     299.922     300.000       6.492    7 
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+    380000       38000.00      32.708     -35.202      -2.494  604.444045   3.56 0.500 0.533 0.367 0.970     296.740     300.000       6.337    7 
+    390000       39000.00      34.249     -42.423      -8.173  614.139145   3.45 0.286 0.692 0.322 0.531     310.728     300.000       6.936    7 
+    400000       40000.00      30.217     -40.380     -10.163  623.374863   3.20 0.286 0.692 0.364 0.723     274.149     300.000       6.709    7 
+    410000       41000.00      35.028     -44.646      -9.618  657.638015   2.12 0.429 0.500 0.174 1.366     317.792     300.000       7.286    7 
+    420000       42000.00      33.145     -40.444      -7.299  681.712809   2.63 0.429 0.600 0.321 0.776     300.709     300.000       6.799    7 
+    430000       43000.00      39.953     -42.359      -2.406  707.791976   4.17 0.286 0.692 0.248 0.442     362.472     300.000       7.195    7 
+    440000       44000.00      29.995     -34.871      -4.876  720.900862   3.95 0.286 0.667 0.269 0.729     272.133     300.000       6.961    7 
+    450000       45000.00      34.914     -46.597     -11.683  741.544932   6.49 0.214 0.727 0.211 0.264     316.760     300.000       7.087    7 
+    460000       46000.00      29.097     -40.266     -11.170  769.957527   4.04 0.214 0.625 0.193 0.839     263.980     300.000       7.167    7 
+    470000       47000.00      34.868     -44.946     -10.078  777.042805   3.77 0.286 0.765 0.254 0.884     316.345     300.000       7.178    7 
+    480000       48000.00      27.525     -36.869      -9.344  780.912976   7.33 0.214 0.727 0.252 0.997     249.724     300.000       7.603    7 
+    490000       49000.00      35.670     -26.442       9.228  790.010751   4.57 0.143 0.500 0.205 0.978     323.616     300.000       7.840    7 
+    500000       50000.00      36.061     -19.853      16.208  798.338244   5.87 0.214 0.400 0.155 0.411     327.167     300.000       9.403    7 
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+    520000       52000.00      34.489     -34.865      -0.376  826.013678   3.59 0.143 0.833 0.341 0.557     312.902     300.000       7.097    7 
+    530000       53000.00      28.624     -37.568      -8.944  836.904894   4.25 0.429 0.600 0.376 0.395     259.689     300.000       6.751    7 
+    540000       54000.00      26.831     -42.023     -15.192  851.242331   3.70 0.214 0.769 0.395 0.509     243.428     300.000       6.881    7 
+    550000       55000.00      34.015     -33.549       0.466  857.685520   3.94 0.214 0.800 0.397 0.786     308.606     300.000       6.512    7 
+    560000       56000.00      35.405     -41.497      -6.092  897.943442   3.88 0.500 0.611 0.417 0.467     321.213     300.000       6.543    7 
+    570000       57000.00      42.493     -37.174       5.319  905.519875   3.92 0.143 0.714 0.351 1.387     385.518     300.000       8.028    7 
+    580000       58000.00      29.880     -41.719     -11.840  924.475835   4.38 0.286 0.778 0.402 0.667     271.083     300.000       7.138    7 
+    590000       59000.00      34.935     -38.097      -3.162  932.048494   4.27 0.143 0.667 0.303 0.649     316.948     300.000       7.540    7 
+    600000       60000.00      36.606     -31.639       4.967  950.161774   4.24 0.214 0.667 0.263 0.769     332.108     300.000       7.532    7 
+    610000       61000.00      26.200     -19.469       6.731  955.717105   5.93 0.286 0.333 0.159 0.400     237.699     300.000       8.292    7 
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+    660000       66000.00      30.552     -30.541       0.010  997.776968   4.82 0.286 0.714 0.344 0.723     277.180     300.000       6.944    7 
+    670000       67000.00      30.495     -32.531      -2.036 1008.506906   5.07 0.214 0.727 0.380 0.789     276.662     300.000       7.312    7 
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+    690000       69000.00      27.162     -41.724     -14.562 1050.720819   6.56 0.143 0.833 0.299 0.472     246.425     300.000       6.997    7 
+    700000       70000.00      36.569     -43.411      -6.842 1077.373970   6.20 0.143 0.778 0.338 0.649     331.776     300.000       6.839    7 
+    710000       71000.00      33.508     -39.786      -6.278 1098.574586   5.65 0.143 0.833 0.326 0.600     304.005     300.000       6.749    7 
+    720000       72000.00      32.315     -32.062       0.253 1119.543495   4.69 0.143 0.778 0.293 0.763     293.176     300.000       7.588    7 
+    730000       73000.00      35.931     -40.140      -4.209 1131.376950   5.41 0.286 0.600 0.300 1.119     325.985     300.000       7.142    7 
+    740000       74000.00      33.793     -43.557      -9.764 1146.965421   6.20 0.286 0.733 0.294 0.957     306.587     300.000       6.874    7 
+    750000       75000.00      32.047     -47.837     -15.791 1146.229140   5.37 0.286 0.692 0.294 0.850     290.745     300.000       7.028    7 
+    760000       76000.00      32.494     -38.851      -6.358 1159.120646   5.29 0.357 0.688 0.406 0.799     294.801     300.000       6.526    7 
+    770000       77000.00      26.866     -43.619     -16.753 1165.032900   5.83 0.286 0.714 0.279 0.783     243.739     300.000       6.754    7 
+    780000       78000.00      36.972     -44.263      -7.291 1177.053570   5.10 0.286 0.636 0.302 0.701     335.428     300.000       6.899    7 
+    790000       79000.00      42.867     -41.185       1.681 1185.699248   5.75 0.214 0.750 0.246 0.949     388.909     300.000       7.162    7 
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+    810000       81000.00      36.059     -28.291       7.768 1217.105251   5.04 0.286 0.500 0.352 0.889     327.145     300.000       7.038    7 
+    820000       82000.00      29.925     -47.004     -17.079 1235.794107   5.75 0.214 0.769 0.301 0.483     271.491     300.000       6.914    7 
+    830000       83000.00      36.163     -29.767       6.396 1272.883340   4.37 0.214 0.667 0.328 1.224     328.090     300.000       7.867    7 
+    840000       84000.00      33.257     -30.297       2.961 1292.158942   5.34 0.071 0.800 0.345 1.095     301.728     300.000       7.762    7 
+    850000       85000.00      32.682     -35.885      -3.202 1315.402215   4.58 0.143 0.600 0.236 0.439     296.512     300.000       7.486    7 
+    860000       86000.00      28.484     -41.200     -12.715 1331.301130   5.03 0.286 0.733 0.291 0.627     258.426     300.000       6.704    7 
+    870000       87000.00      32.303     -35.932      -3.628 1346.735249   4.96 0.214 0.727 0.322 0.343     293.072     300.000       6.932    7 
+    880000       88000.00      27.461     -34.965      -7.504 1361.300167   4.73 0.286 0.636 0.248 0.738     249.137     300.000       7.363    7 
+    890000       89000.00      36.921     -39.488      -2.566 1390.971713   5.69 0.286 0.667 0.367 0.522     334.970     300.000       6.721    7 
+    900000       90000.00      26.996     -41.460     -14.464 1409.505405   4.20 0.357 0.583 0.284 0.444     244.923     300.000       7.086    7 
+    910000       91000.00      33.009     -35.156      -2.147 1417.680196   5.82 0.357 0.583 0.265 0.589     299.471     300.000       7.353    7 
+    920000       92000.00      28.101     -38.403     -10.302 1430.756343   3.73 0.286 0.692 0.210 0.496     254.944     300.000       6.997    7 
+    930000       93000.00      35.770     -24.541      11.229 1436.910234   2.83 0.143 0.750 0.392 0.960     324.528     300.000       7.599    7 
+    940000       94000.00      32.889     -32.319       0.570 1440.732079   4.63 0.214 0.700 0.332 0.800     298.388     300.000       6.830    7 
+    950000       95000.00      32.153     -42.747     -10.593 1441.764065   3.19 0.286 0.692 0.423 0.461     291.710     300.000       6.606    7 
+    960000       96000.00      33.277     -50.239     -16.962 1456.987083   3.53 0.357 0.643 0.455 1.404     301.911     300.000       6.505    7 
+    970000       97000.00      27.503     -40.553     -13.050 1477.446517   4.10 0.357 0.615 0.388 0.493     249.522     300.000       6.784    7 
+    980000       98000.00      40.501     -43.258      -2.757 1490.450325   4.30 0.429 0.625 0.392 1.129     367.448     300.000       6.400    7 
+    990000       99000.00      33.392     -45.633     -12.241 1503.810426   2.87 0.429 0.571 0.282 0.520     302.950     300.000       6.632    7 
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD000.cx b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD000.cx
index cda7edb021bc0fc761f90a7b28551be78b027d1f..0cb2c53bda9398065add76d93a82c436381a8dfb 100644
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD003.cx b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD003.cx
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD005.cx b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD005.cx
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD007.cx b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD007.cx
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diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/fort.2 b/examples/unres/new/MD/Nose_Hoover/ff_gab/fort.2
index e6b02d8..903e714 100644
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/fort.2
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/fort.2
@@ -4,64 +4,82 @@ NVT-XI-RESPA algorithm
                                                 Temperature: 300.00000
                                                          Q =   1.00000
 ====================MD calculation start====================
- H0=    119.247741900708     
- acceleration/energy drift too large   9.06655197720034     
-   10.7923240536629       split increased to            2  itime       41000 
+ H0=    119.305046857993     
+ acceleration/energy drift too large   15.2067733461589     
+   24.1590514733919       split increased to            2  itime      121547 
   itsplit           1
- acceleration/energy drift too large   14.1702378665510     
-   23.4146643212877       split increased to            2  itime      486977 
+ acceleration/energy drift too large   9.77195488854190     
+   13.0270311627621       split increased to            2  itime      148351 
   itsplit           1
- acceleration/energy drift too large   11.8034214704826     
-   13.4825798934335       split increased to            2  itime      544873 
+ acceleration/energy drift too large   6.27617580427996     
+   14.1974306984564       split increased to            2  itime      245186 
   itsplit           1
- acceleration/energy drift too large   20.1896025319949     
-   37.9699984717193       split increased to            2  itime      556931 
+ acceleration/energy drift too large   12.3539187633796     
+   13.6550848779044       split increased to            2  itime      463003 
   itsplit           1
- acceleration/energy drift too large   12.7516988587262     
-   16.2353197595920       split increased to            2  itime      573882 
+ acceleration/energy drift too large   10.0542894238383     
+   10.3399644061840       split increased to            2  itime      502768 
   itsplit           1
- acceleration/energy drift too large   11.3552935569196     
-   14.6875844961570       split increased to            2  itime      576231 
+ acceleration/energy drift too large   9.72874506628009     
+   10.8846403813310       split increased to            2  itime      572959 
   itsplit           1
- acceleration/energy drift too large   10.4521247800619     
-   13.7962133349758       split increased to            2  itime      715845 
+ acceleration/energy drift too large   10.3469568847892     
+   13.2690838961548       split increased to            2  itime      634437 
   itsplit           1
- acceleration/energy drift too large   11.2008473962832     
-   15.2047597342713       split increased to            2  itime      735555 
+ acceleration/energy drift too large   14.6581090295624     
+   20.0668223479912       split increased to            2  itime      695391 
   itsplit           1
- acceleration/energy drift too large   7.77295453001846     
-   10.4253994959868       split increased to            2  itime      963671 
+ acceleration/energy drift too large   20.9764572567146     
+   72.7521645121852       split increased to            2  itime      809494 
+  itsplit           1
+ acceleration/energy drift too large   10.2561612885381     
+   12.0317020720409       split increased to            2  itime      816990 
+  itsplit           1
+ acceleration/energy drift too large   11.5687892707697     
+   15.4940739102760       split increased to            2  itime      884896 
   itsplit           1
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.56250E-02
-           Energy & gradient evaluation:    3.09262E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.79230E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.28098E+02
+                               MD steps:    4.15566E+02
 
 
 ============================  End of MD calculation  ===========================
-      941315 
+setup:    0.00000E+00
+               acceleration/energy drift too large   10.5303880922576     
+   14.8515487757570       split increased to            2  itime      993683 
   itsplit           1
 
 
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.07613E+02
+           Energy & gr
+===================================  Timing  ===================================
+
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.80719E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.27312E+02
+                               MD steps:    4.18730E+02
 
 
 ============================  End of MD calculation  ===========================
-      953824 
+      903576 
+  itsplit           1
+ acceleration/energy drift too large   8.96776591616942     
+   10.0218051401799       split increased to            2  itime      918645 
   itsplit           1
- acceleration/energy drift too large   5.95899406473204     
-   11.8424315919793       split increased to            2  itime      988981 
+ acceleration/energy drift too large   8.45986785146707     
+   11.5635886527857       split increased to            2  itime      946862 
+  itsplit           1
+ acceleration/energy drift too large   11.1170791267258     
+   15.4436856240087       split increased to            2  itime      987382 
   itsplit           1
 
 
@@ -72,16 +90,11 @@ NVT-XI-RESPA algorithm
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    7.81250E-03
-           Energy & g
-
-===================================  Timing  ===================================
-
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.14043E+02
+           Energy & gradient evaluation:    3.81742E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.33840E+02
+                               MD steps:    4.20125E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/unres.csh b/examples/unres/new/MD/Nose_Hoover/ff_gab/unres.csh
index 9d96dfe..2652ea2 100755
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/unres.csh
+++ b/examples/unres/new/MD/Nose_Hoover/ff_gab/unres.csh
@@ -4,10 +4,10 @@ setenv POT GB
 setenv PREFIX 1L2Y_MD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv UNRES_ROOT /users/adam/unres/
-setenv DD $UNRES_ROOT/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
 setenv ROTPAR $DD/scgauss.parm
@@ -16,7 +16,8 @@ setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm
 setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-setenv SCCORPAR $DD/rotcorr_AM1.parm
+#setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
 #-----------------------------------------------------------------------------
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/1L2Y_MD.out_GB000 b/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/1L2Y_MD.out_GB000
index 218308f..00a6a42 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/1L2Y_MD.out_GB000
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/1L2Y_MD.out_GB000
@@ -5,33 +5,33 @@
  Output file                     : 1L2Y_MD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 298
- compiled Thu Jul  5 05:49:13 2012
+ Version 2.5 build 303
+ compiled Mon Jul 23 17:44:56 2012
  compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
@@ -1646,13 +1646,13 @@ Momenta zeroed out, time           199999.80
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    3.73906E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.75629E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.06008E+02
+                               MD steps:    4.08812E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   409.589843750000       sec
+ Total wall clock time   415.746093750000       sec
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/fort.2 b/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/fort.2
index cff2e69..d7cafe4 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/fort.2
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/fort.2
@@ -173,8 +173,7 @@ Momenta zeroed out, time            24199.80
 Momenta zeroed out, time            24399.80
 Momenta zeroed out, time            24599.80
 Momenta zeroed out, time            24799.80
-Momenta zeroed out, time            24999.80
-Momenta zeroed out, time            25199.80
+ acceleration/energy drift too large   6.5420Momenta zeroed out, time            25199.80
 Momenta zeroed out, time            25399.80
 Momenta zeroed out, time            25599.80
 Momenta zeroed out, time            25799.80
@@ -259,8 +258,9 @@ Velocities reset to random values, time            39999.80
 Momenta zeroed out, time            39999.80
 Momenta zeroed out, time            40199.80
 Momenta zeroed out, time            40399.80
- acceleration/energy drift too large   7.47297317560170     
-   65.3334085754330       splMomenta zeroed out, time            40999.80
+Momenta zeroed out, time            40599.80
+Momenta zeroed out, time            40799.80
+Momenta zeroed out, time            40999.80
 Momenta zeroed out, time            41199.80
 Momenta zeroed out, time            41399.80
 Momenta zeroed out, time            41599.80
@@ -281,17 +281,13 @@ Momenta zeroed out, time            43999.80
 Momenta zeroed out, time            44199.80
 Momenta zeroed out, time            44399.80
 Momenta zeroed out, time            44599.80
-Momenta zeroed out, time            44799.80
-Momenta zeroed out, time            44999.80
-Momenta zeroed out, time            45199.80
-Momenta zeroed out, time            45399.80
-Momenta zeroed out, time            45599.80
-Momenta zeroed out, time            45799.80
+ acceleration/energy drift too large   4.81559755759616     
+   37.7405816783923       split increased to            2  itime      223128 
+  itsplit           1
+ acceleration/energy drift too large   3.14414939439197     
+   Momenta zeroed out, time            45799.80
 Velocities reset to random values, time            45999.80
-Momenta zeroed out, time            45999.80
-Momenta zeroed out, time            46199.80
-Momenta zeroed out, time            46399.80
-Momenta zeroed out, time            46599.80
+Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time            46599.80
 Momenta zeroed out, time            46799.80
 Momenta zeroed out, time            46999.80
 Momenta zeroed out, time            47199.80
@@ -299,10 +295,7 @@ Momenta zeroed out, time            47399.80
 Momenta zeroed out, time            47599.80
 Momenta zeroed out, time            47799.80
 Velocities reset to random values, time            47999.80
-Momenta zeroed out, time            47999.80
-Momenta zeroed out, time            48199.80
-Momenta zeroed out, time            48399.80
-Momenta zeroed out, time            48599.80
+Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time            48599.80
 Momenta zeroed out, time            48799.80
 Momenta zeroed out, time            48999.80
 Momenta zeroed out, time            49199.80
@@ -310,10 +303,7 @@ Momenta zeroed out, time            49399.80
 Momenta zeroed out, time            49599.80
 Momenta zeroed out, time            49799.80
 Velocities reset to random values, time            49999.80
-Momenta zeroed out, time            49999.80
-Momenta zeroed out, time            50199.80
-Momenta zeroed out, time            50399.80
-Momenta zeroed out, time            50599.80
+Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time            50599.80
 Momenta zeroed out, time            50799.80
 Momenta zeroed out, time            50999.80
 Momenta zeroed out, time            51199.80
@@ -321,10 +311,7 @@ Momenta zeroed out, time            51399.80
 Momenta zeroed out, time            51599.80
 Momenta zeroed out, time            51799.80
 Velocities reset to random values, time            51999.80
-Momenta zeroed out, time            51999.80
-Momenta zeroed out, time            52199.80
-Momenta zeroed out, time            52399.80
-Momenta zeroed out, time            52599.80
+Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time            52599.80
 Momenta zeroed out, time            52799.80
 Momenta zeroed out, time            52999.80
 Momenta zeroed out, time            53199.80
@@ -332,10 +319,7 @@ Momenta zeroed out, time            53399.80
 Momenta zeroed out, time            53599.80
 Momenta zeroed out, time            53799.80
 Velocities reset to random values, time            53999.80
-Momenta zeroed out, time            53999.80
-Momenta zeroed out, time            54199.80
-Momenta zeroed out, time            54399.80
-Momenta zeroed out, time            54599.80
+Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time            54599.80
 Momenta zeroed out, time            54799.80
 Momenta zeroed out, time            54999.80
 Momenta zeroed out, time            55199.80
@@ -435,6 +419,9 @@ Momenta zeroed out, time            71999.80
 Momenta zeroed out, time            72199.80
 Momenta zeroed out, time            72399.80
 Momenta zeroed out, time            72599.80
+ acceleration/energy drift too large   4.93478798704660     
+   14.5878510195389       split increased to            2  itime      363815 
+  itsplit           1
 Momenta zeroed out, time            72799.80
 Momenta zeroed out, time            72999.80
 Momenta zeroed out, time            73199.80
@@ -563,138 +550,61 @@ Momenta zeroed out, time            95399.80
 Momenta zeroed out, time            95599.80
 Momenta zeroed out, time            95799.80
 Velocities reset to random values, time            95999.80
-Momenta zeroed out, time            95999.80
-Momenta zeroed out, time            96199.80
-Momenta zeroed out, time            96399.80
-Momenta zeroed out, time            96599.80
-Momenta zeroed out, time            96799.80
-Momenta zeroed out, time            96999.80
-Momenta zeroed out, time            97199.80
-Momenta zeroed out, time            97399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time            97399.80
 Momenta zeroed out, time            97599.80
 Momenta zeroed out, time            97799.80
 Velocities reset to random values, time            97999.80
-Momenta zeroed out, time            97999.80
-Momenta zeroed out, time            98199.80
-Momenta zeroed out, time            98399.80
-Momenta zeroed out, time            98599.80
-Momenta zeroed out, time            98799.80
-Momenta zeroed out, time            98999.80
-Momenta zeroed out, time            99199.80
-Momenta zeroed out, time            99399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time            99399.80
 Momenta zeroed out, time            99599.80
 Momenta zeroed out, time            99799.80
 Velocities reset to random values, time            99999.80
-Momenta zeroed out, time            99999.80
-Momenta zeroed out, time           100199.80
-Momenta zeroed out, time           100399.80
-Momenta zeroed out, time           100599.80
-Momenta zeroed out, time           100799.80
-Momenta zeroed out, time           100999.80
-Momenta zeroed out, time           101199.80
-Momenta zeroed out, time           101399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           101399.80
 Momenta zeroed out, time           101599.80
 Momenta zeroed out, time           101799.80
 Velocities reset to random values, time           101999.80
-Momenta zeroed out, time           101999.80
-Momenta zeroed out, time           102199.80
-Momenta zeroed out, time           102399.80
-Momenta zeroed out, time           102599.80
-Momenta zeroed out, time           102799.80
-Momenta zeroed out, time           102999.80
-Momenta zeroed out, time           103199.80
-Momenta zeroed out, time           103399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           103399.80
 Momenta zeroed out, time           103599.80
 Momenta zeroed out, time           103799.80
 Velocities reset to random values, time           103999.80
-Momenta zeroed out, time           103999.80
-Momenta zeroed out, time           104199.80
-Momenta zeroed out, time           104399.80
-Momenta zeroed out, time           104599.80
-Momenta zeroed out, time           104799.80
-Momenta zeroed out, time           104999.80
-Momenta zeroed out, time           105199.80
-Momenta zeroed out, time           105399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           105399.80
 Momenta zeroed out, time           105599.80
 Momenta zeroed out, time           105799.80
 Velocities reset to random values, time           105999.80
-Momenta zeroed out, time           105999.80
-Momenta zeroed out, time           106199.80
-Momenta zeroed out, time           106399.80
-Momenta zeroed out, time           106599.80
-Momenta zeroed out, time           106799.80
-Momenta zeroed out, time           106999.80
-Momenta zeroed out, time           107199.80
-Momenta zeroed out, time           107399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           107399.80
 Momenta zeroed out, time           107599.80
 Momenta zeroed out, time           107799.80
 Velocities reset to random values, time           107999.80
-Momenta zeroed out, time           107999.80
-Momenta zeroed out, time           108199.80
-Momenta zeroed out, time           108399.80
-Momenta zeroed out, time           108599.80
-Momenta zeroed out, time           108799.80
-Momenta zeroed out, time           108999.80
-Momenta zeroed out, time           109199.80
-Momenta zeroed out, time           109399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           109399.80
 Momenta zeroed out, time           109599.80
 Momenta zeroed out, time           109799.80
 Velocities reset to random values, time           109999.80
-Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time           110599.80
-Momenta zeroed out, time           110799.80
-Momenta zeroed out, time           110999.80
-Momenta zeroed out, time           111199.80
-Momenta zeroed out, time           111399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           111399.80
 Momenta zeroed out, time           111599.80
 Momenta zeroed out, time           111799.80
 Velocities reset to random values, time           111999.80
-Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time           112599.80
-Momenta zeroed out, time           112799.80
-Momenta zeroed out, time           112999.80
-Momenta zeroed out, time           113199.80
-Momenta zeroed out, time           113399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           113399.80
 Momenta zeroed out, time           113599.80
 Momenta zeroed out, time           113799.80
 Velocities reset to random values, time           113999.80
-Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time           114599.80
-Momenta zeroed out, time           114799.80
-Momenta zeroed out, time           114999.80
-Momenta zeroed out, time           115199.80
-Momenta zeroed out, time           115399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           115399.80
 Momenta zeroed out, time           115599.80
 Momenta zeroed out, time           115799.80
 Velocities reset to random values, time           115999.80
-Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time           116599.80
-Momenta zeroed out, time           116799.80
-Momenta zeroed out, time           116999.80
-Momenta zeroed out, time           117199.80
-Momenta zeroed out, time           117399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           117399.80
 Momenta zeroed out, time           117599.80
 Momenta zeroed out, time           117799.80
 Velocities reset to random values, time           117999.80
-Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time           118599.80
-Momenta zeroed out, time           118799.80
-Momenta zeroed out, time           118999.80
-Momenta zeroed out, time           119199.80
-Momenta zeroed out, time           119399.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Velocities reset to randomMomenta zeroed out, time           119399.80
 Momenta zeroed out, time           119599.80
 Momenta zeroed out, time           119799.80
 Velocities reset to random values, time           119999.80
-Momenta zeroed out, time           119999.80
-Momenta zeroed out, time           120199.80
-Momenta zeroed out, time           120399.80
-Momenta zeroed out, time           120599.80
-Momenta zeroed out, time           120799.80
-Momenta zeroed out, time           120999.80
+Momenta zeroed out,Momenta zeroed out, time  Momenta zeroed out,Momenta zeroed out, time           120999.80
 Momenta zeroed out, time           121199.80
 Momenta zeroed out, time           121399.80
 Momenta zeroed out, time           121599.80
 Momenta zeroed out, time           121799.80
 Velocities reset to random values, time           121999.80
-Momenta zeroed out, time           121999.80
-Momenta zeroed out, time           122199.80
-Momenta zeroed out, time           122399.80
-Momenta zeroed out, time           122599.80
+Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time           122599.80
 Momenta zeroed out, time           122799.80
 Momenta zeroed out, time           122999.80
 Momenta zeroed out, time           123199.80
@@ -702,10 +612,7 @@ Momenta zeroed out, time           123399.80
 Momenta zeroed out, time           123599.80
 Momenta zeroed out, time           123799.80
 Velocities reset to random values, time           123999.80
-Momenta zeroed out, time           123999.80
-Momenta zeroed out, time           124199.80
-Momenta zeroed out, time           124399.80
-Momenta zeroed out, time           124599.80
+Momenta zerMomenta zeroed out, time          Momenta zerMomenta zeroed out, time          Momenta zerVelocities reset to random values,Momenta zeroed out, time           124599.80
 Momenta zeroed out, time           124799.80
 Momenta zeroed out, time           124999.80
 Momenta zeroed out, time           125199.80
@@ -713,6 +620,9 @@ Momenta zeroed out, time           125399.80
 Momenta zeroed out, time           125599.80
 Momenta zeroed out, time           125799.80
 Velocities reset to random values, time           125999.80
+Momenta zerMomenta zeroed out, time           125599.80
+Momenta zeroed out, time           125799.80
+Velocities reset to random values, time           125999.80
 Momenta zeroed out, time           125999.80
 Momenta zeroed out, time           126199.80
 Momenta zeroed out, time           126399.80
@@ -1123,29 +1033,21 @@ Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
 
-===================================  Timing  =========Velocities reset to random values, time           199999.80
-Momenta zeroed out, time           199999.80
-
-
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.76172E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.09543E+02
-
-
-============================  End of MD calculation  ===========================
-   7.81250E-03
-           Energy & gradient evaluation:    3.75848E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.78402E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.08406E+02
+                               MD steps:    4.12633E+02
 
 
-============================  End of MD calculation  ===========================
-erMomenta zeroed out, time           199599.80
+===================Momenta zeroed out, time           198599.80
+Momenta zeroed out, time           198799.80
+Momenta zeroed out, time           198999.80
+Momenta zeroed out, time           199199.80
+Momenta zeroed out, time           199399.80
+Momenta zeroed out, time           199599.80
 Momenta zeroed out, time           199799.80
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
@@ -1154,10 +1056,15 @@ Momenta zeroed out, time           199999.80
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.75883E+02
+           Energy & gradient evaluation:    3.81387E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.09016E+02
+                               MD steps:    4.15691E+02
+
+
+============================  End of MD calculation  ===========================
+setup:    0.00000E+00
+                               MD steps:    4.09953E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/unres.csh b/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/unres.csh
index 633b4ef..5db52b5 100755
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/unres.csh
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD.out_GB000 b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD.out_GB000
index f270d0f..b5735ab 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD.out_GB000
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD.out_GB000
@@ -5,35 +5,41 @@
  Output file                     : 1L2Y_MD.out_GB000
  
  Sidechain potential file        : 
- /users/adam/unres//PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
- SCp potential file              : /users/adam/unres//PARAM/scp.parm
- Electrostatic potential file    : /users/adam/unres//PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ p8g-sc
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/adam/unres//PARAM/fourier_opt.parm.1igd_hc_iter3_3
- Torsional parameter file        : /users/adam/unres//PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/adam/unres//PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/adam/unres//PARAM/rotcorr_AM1.parm
- Bond & inertia constant file    : /users/adam/unres//PARAM/bond.parm
- Bending parameter file          : /users/adam/unres//PARAM/thetaml.5parm
- Rotamer parameter file          : /users/adam/unres//PARAM/scgauss.parm
- Threading database              : /users/adam/unres//PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 62
- compiled Sun May 13 16:07:22 2012
- compiled by adam@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
  OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
  flags:
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
  FC= ifort
- OPT =  -O3 -ip -w 
+ OPT =  -g -ip -w -CB 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
  FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
  FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
@@ -448,7 +454,7 @@ Mesoscopic molecular dynamics (MD) calculation.
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
-  4.226504204090251E-017 -9.392231564645003E-018  4.083578941150001E-018
+  4.226504204090251E-017 -1.020894735287500E-018 -4.083578941150001E-019
 
 
               alpha-carbon coordinates            centroid coordinates
@@ -534,5419 +540,5065 @@ Initial:
 
     maximum acceleration    8.66045E+00
 
- acceleration/energy drift too large   2.55087264268037     
-   32.6937280041890       split increased to            2  itime           1 
+ acceleration/energy drift too large   2.55087539017875     
+   32.6937280031007       split increased to            2  itime           1 
   itsplit           1
- acceleration/energy drift too large   3.46046514538919     
-   22.4089114757382       split increased to            2  itime           2 
+ acceleration/energy drift too large   3.46046564509262     
+   22.4089110552482       split increased to            2  itime           2 
   itsplit           1
- acceleration/energy drift too large   2.68756758379733     
-   16.1411636553980       split increased to            2  itime           4 
+ acceleration/energy drift too large   2.68756941879222     
+   16.1411631813652       split increased to            2  itime           4 
   itsplit           1
- acceleration/energy drift too large   4.37791625852559     
-   20.7886366154004       split increased to            2  itime           5 
+ acceleration/energy drift too large   4.37794142316792     
+   20.7884328863364       split increased to            2  itime           5 
   itsplit           1
- acceleration/energy drift too large   4.37428996521120     
-   12.3188361489523       split increased to            2  itime           6 
+ acceleration/energy drift too large   4.37429881396772     
+   12.3188898078014       split increased to            2  itime           6 
   itsplit           1
- acceleration/energy drift too large   1.49999485559161     
-   12.1502262927439       split increased to            2  itime           7 
+ acceleration/energy drift too large   1.49997780702911     
+   12.1501748967877       split increased to            2  itime           7 
   itsplit           1
- acceleration/energy drift too large   2.79909780013554     
-   10.3284713425675       split increased to            2  itime          10 
+ acceleration/energy drift too large   2.80140021232239     
+   10.3284759670726       split increased to            2  itime          10 
   itsplit           1
- acceleration/energy drift too large   9.50262882133516     
-   46.8802439808811       split increased to            2  itime         734 
+ acceleration/energy drift too large   5.17773208793371     
+   13.9567201233045       split increased to            2  itime         478 
   itsplit           1
-Momenta zeroed out, time              199.80
- acceleration/energy drift too large   4.46972753983188     
-   10.8939529579280       split increased to            2  itime        1048 
+ acceleration/energy drift too large   4.61498664480729     
+   16.6042818333689       split increased to            2  itime         558 
   itsplit           1
- acceleration/energy drift too large   1.84292008822707     
-   10.8053571951255       split increased to            2  itime        1113 
+Momenta zeroed out, time              199.80
+ acceleration/energy drift too large   4.90545863218322     
+   21.2752298847432       split increased to            2  itime        1170 
   itsplit           1
-Momenta zeroed out, time              399.80
- acceleration/energy drift too large   5.26865858412087     
-   11.0051243508093       split increased to            2  itime        2343 
+ acceleration/energy drift too large   5.79312930605977     
+   47.8023616491580       split increased to            2  itime        1265 
   itsplit           1
- acceleration/energy drift too large   2.75405933006426     
-   17.3686412088134       split increased to            2  itime        2365 
+ acceleration/energy drift too large   1.71706299457307     
+   14.8438181746345       split increased to            4  itime        1265 
   itsplit           1
- acceleration/energy drift too large   5.99120915332574     
-   30.7256752092533       split increased to            2  itime        2891 
+ acceleration/energy drift too large   3.07803990129363     
+   17.0473468503399       split increased to            2  itime        1308 
   itsplit           1
- acceleration/energy drift too large   1.63106153692137     
-   10.6418377894738       split increased to            2  itime        2892 
+ acceleration/energy drift too large   8.47655114551737     
+   21.9536854328881       split increased to            2  itime        1859 
   itsplit           1
+Momenta zeroed out, time              399.80
 Momenta zeroed out, time              599.80
- acceleration/energy drift too large   11.0124867615202     
-   53.0205015520062       split increased to            2  itime        3316 
+ acceleration/energy drift too large   9.28976685540461     
+   33.0421688633453       split increased to            2  itime        3679 
   itsplit           1
 Momenta zeroed out, time              799.80
- acceleration/energy drift too large   2.81125461134422     
-   18.4165985150425       split increased to            2  itime        4326 
-  itsplit           1
- acceleration/energy drift too large   8.16542378541508     
-   32.8575399800021       split increased to            2  itime        4774 
-  itsplit           1
 Momenta zeroed out, time              999.80
 Momenta zeroed out, time             1199.80
- acceleration/energy drift too large   3.24468315751771     
-   10.5434024226684       split increased to            2  itime        6052 
+ acceleration/energy drift too large   7.38275522417338     
+   26.0310167923391       split increased to            2  itime        6361 
   itsplit           1
-Momenta zeroed out, time             1399.80
- acceleration/energy drift too large   4.35149980065049     
-   18.7052156980503       split increased to            2  itime        7068 
+ acceleration/energy drift too large   4.48694008741087     
+   14.0641862958477       split increased to            2  itime        6798 
   itsplit           1
- acceleration/energy drift too large   3.12496539909209     
-   13.9641864515392       split increased to            2  itime        7406 
+Momenta zeroed out, time             1399.80
+ acceleration/energy drift too large   4.15587464787410     
+   22.6012103525284       split increased to            2  itime        7382 
   itsplit           1
- acceleration/energy drift too large   5.70514598122943     
-   11.5287288135957       split increased to            2  itime        7979 
+ acceleration/energy drift too large   4.14602221308007     
+   10.6687984534118       split increased to            2  itime        7492 
   itsplit           1
 Momenta zeroed out, time             1599.80
+ acceleration/energy drift too large   7.71911987111952     
+   34.4958169450969       split increased to            2  itime        8954 
+  itsplit           1
+ acceleration/energy drift too large   2.17393876748795     
+   10.3887908018396       split increased to            4  itime        8954 
+  itsplit           2
+ acceleration/energy drift too large   6.45583805362806     
+   20.2514993481944       split increased to            2  itime        8964 
+  itsplit           1
 Momenta zeroed out, time             1799.80
+ acceleration/energy drift too large   4.00324026078978     
+   13.2581669606895       split increased to            2  itime        9361 
+  itsplit           1
 Velocities reset to random values, time             1999.80
 Momenta zeroed out, time             1999.80
- acceleration/energy drift too large   8.84944073833833     
-   32.5415866543979       split increased to            2  itime       10026 
-  itsplit           1
- acceleration/energy drift too large   3.69797204467851     
-   18.4122565514489       split increased to            2  itime       10715 
+ acceleration/energy drift too large   3.83182560150882     
+   10.9838757806021       split increased to            2  itime       10224 
   itsplit           1
 Momenta zeroed out, time             2199.80
- acceleration/energy drift too large   6.34303263306761     
-   24.3441739808826       split increased to            2  itime       11820 
-  itsplit           1
- acceleration/energy drift too large   4.56351349117983     
-   14.4559745569898       split increased to            2  itime       11822 
-  itsplit           1
 Momenta zeroed out, time             2399.80
- acceleration/energy drift too large   2.29996380396551     
-   13.4966341362515       split increased to            2  itime       12599 
+ acceleration/energy drift too large   2.56371893561604     
+   10.5208545608302       split increased to            2  itime       12851 
   itsplit           1
 Momenta zeroed out, time             2599.80
+ acceleration/energy drift too large   3.81400466965474     
+   15.7058022213872       split increased to            2  itime       13195 
+  itsplit           1
+ acceleration/energy drift too large   6.18632198368788     
+   24.0687483790351       split increased to            2  itime       13466 
+  itsplit           1
 Momenta zeroed out, time             2799.80
- acceleration/energy drift too large   2.18582479192268     
-   12.2751608120020       split increased to            2  itime       14659 
+ acceleration/energy drift too large   4.23280546642662     
+   22.7108569284159       split increased to            2  itime       14061 
+  itsplit           1
+ acceleration/energy drift too large   2.98756269352614     
+   11.4901070539081       split increased to            2  itime       14193 
   itsplit           1
 Momenta zeroed out, time             2999.80
- acceleration/energy drift too large   2.83317821320030     
-   14.9615892273124       split increased to            2  itime       15157 
+ acceleration/energy drift too large   5.01911862891648     
+   14.1196377086934       split increased to            2  itime       15145 
   itsplit           1
 Momenta zeroed out, time             3199.80
-Momenta zeroed out, time             3399.80
- acceleration/energy drift too large   6.79363071266278     
-   21.3074160084276       split increased to            2  itime       17605 
+ acceleration/energy drift too large   8.83600382416901     
+   23.0900326857616       split increased to            2  itime       16754 
   itsplit           1
- acceleration/energy drift too large   7.57002367119108     
-   18.5782952218462       split increased to            2  itime       17655 
+Momenta zeroed out, time             3399.80
+ acceleration/energy drift too large   6.52943229437645     
+   19.4766944454692       split increased to            2  itime       17804 
   itsplit           1
 Momenta zeroed out, time             3599.80
+ acceleration/energy drift too large   3.38402701625478     
+   11.6123434675707       split increased to            2  itime       18036 
+  itsplit           1
+ acceleration/energy drift too large   6.55514521773489     
+   37.8001157670019       split increased to            2  itime       18051 
+  itsplit           1
+ acceleration/energy drift too large   7.29286662458598     
+   49.1539809317584       split increased to            2  itime       18216 
+  itsplit           1
+ acceleration/energy drift too large   3.90124596149759     
+   13.4587928836196       split increased to            2  itime       18389 
+  itsplit           1
+ acceleration/energy drift too large   8.08253627662388     
+   28.1468620275066       split increased to            2  itime       18700 
+  itsplit           1
 Momenta zeroed out, time             3799.80
+ acceleration/energy drift too large   7.99654101336835     
+   19.3572393950580       split increased to            2  itime       19154 
+  itsplit           1
+ acceleration/energy drift too large   6.49804456399320     
+   13.0795740628149       split increased to            2  itime       19242 
+  itsplit           1
+ acceleration/energy drift too large   3.06575876266480     
+   10.5482857904185       split increased to            2  itime       19996 
+  itsplit           1
 Velocities reset to random values, time             3999.80
 Momenta zeroed out, time             3999.80
- acceleration/energy drift too large   3.24782326049374     
-   12.0163839965538       split increased to            2  itime       20099 
-  itsplit           1
 Momenta zeroed out, time             4199.80
+ acceleration/energy drift too large   5.42889054026623     
+   19.3254208291766       split increased to            2  itime       21091 
+  itsplit           1
+ acceleration/energy drift too large   12.1332910431081     
+   72.9842943203093       split increased to            2  itime       21990 
+  itsplit           1
+ acceleration/energy drift too large   2.37902009576245     
+   10.0679950405968       split increased to            4  itime       21990 
+  itsplit           1
 Momenta zeroed out, time             4399.80
- acceleration/energy drift too large   2.69266108028196     
-   10.8962847364253       split increased to            2  itime       22858 
+ acceleration/energy drift too large   8.03527530243655     
+   33.5424933581094       split increased to            2  itime       22223 
   itsplit           1
 Momenta zeroed out, time             4599.80
- acceleration/energy drift too large   10.1064735777936     
-   52.8518132928588       split increased to            2  itime       23539 
-  itsplit           1
 Momenta zeroed out, time             4799.80
- acceleration/energy drift too large   4.56744528079605     
-   14.1829807040269       split increased to            2  itime       24133 
+ acceleration/energy drift too large   6.62536291632671     
+   19.6362135880466       split increased to            2  itime       24184 
   itsplit           1
- acceleration/energy drift too large   7.71754295329302     
-   36.3300535264815       split increased to            2  itime       24149 
+ acceleration/energy drift too large   4.96114059075596     
+   18.6288824387795       split increased to            2  itime       24428 
   itsplit           1
- acceleration/energy drift too large   8.31802511020879     
-   33.8777725256349       split increased to            2  itime       24636 
+ acceleration/energy drift too large   3.46751042354474     
+   24.7070681263031       split increased to            2  itime       24882 
   itsplit           1
 Momenta zeroed out, time             4999.80
 Momenta zeroed out, time             5199.80
- acceleration/energy drift too large   4.08418917515375     
-   11.0494377992639       split increased to            2  itime       26104 
+ acceleration/energy drift too large   4.65031329578142     
+   20.2075094447198       split increased to            2  itime       26737 
   itsplit           1
 Momenta zeroed out, time             5399.80
- acceleration/energy drift too large   7.13143248509053     
-   22.9858542012854       split increased to            2  itime       27308 
-  itsplit           1
 Momenta zeroed out, time             5599.80
- acceleration/energy drift too large   5.47292258383634     
-   16.4632211734976       split increased to            2  itime       28001 
-  itsplit           1
 Momenta zeroed out, time             5799.80
 Velocities reset to random values, time             5999.80
 Momenta zeroed out, time             5999.80
- acceleration/energy drift too large   2.30985647109884     
-   11.3477482474135       split increased to            2  itime       30454 
-  itsplit           1
- acceleration/energy drift too large   8.40356184115025     
-   22.1537070769230       split increased to            2  itime       30522 
-  itsplit           1
- acceleration/energy drift too large   10.4122530967267     
-   48.0993219963724       split increased to            2  itime       30648 
-  itsplit           1
- acceleration/energy drift too large   8.17838867127764     
-   24.1115149627634       split increased to            2  itime       30651 
+ acceleration/energy drift too large   8.13963304036969     
+   31.9759249140609       split increased to            2  itime       30431 
   itsplit           1
 Momenta zeroed out, time             6199.80
- acceleration/energy drift too large   2.69079289134138     
-   20.4287839989401       split increased to            2  itime       31961 
-  itsplit           1
- acceleration/energy drift too large   3.32910960722228     
-   14.0207833679903       split increased to            2  itime       31974 
-  itsplit           1
 Momenta zeroed out, time             6399.80
- acceleration/energy drift too large   2.58050595469737     
-   19.1680409212314       split increased to            2  itime       32399 
+ acceleration/energy drift too large   2.40474285302809     
+   13.9724446081369       split increased to            2  itime       32813 
   itsplit           1
-Momenta zeroed out, time             6599.80
- acceleration/energy drift too large   9.89577671960100     
-   39.1009816831016       split increased to            2  itime       33551 
+ acceleration/energy drift too large   7.66887651254756     
+   18.0371332469841       split increased to            2  itime       32940 
   itsplit           1
- acceleration/energy drift too large   4.14440742056198     
-   25.1520003914380       split increased to            2  itime       33577 
+Momenta zeroed out, time             6599.80
+ acceleration/energy drift too large   4.54011096597244     
+   12.8855268059765       split increased to            2  itime       33017 
   itsplit           1
 Momenta zeroed out, time             6799.80
- acceleration/energy drift too large   7.20767992255575     
-   22.2969091662155       split increased to            2  itime       34000 
-  itsplit           1
- acceleration/energy drift too large   4.50811220137794     
-   13.2749838502840       split increased to            2  itime       34031 
-  itsplit           1
- acceleration/energy drift too large   7.31427860402805     
-   35.4149474379261       split increased to            2  itime       34149 
-  itsplit           1
- acceleration/energy drift too large   6.62569127274864     
-   17.1741001595627       split increased to            2  itime       34422 
+ acceleration/energy drift too large   5.06820631896541     
+   10.1737484255070       split increased to            2  itime       34389 
   itsplit           1
 Momenta zeroed out, time             6999.80
 Momenta zeroed out, time             7199.80
+ acceleration/energy drift too large   9.90105832732885     
+   38.1913605938028       split increased to            2  itime       36059 
+  itsplit           1
+ acceleration/energy drift too large   5.29644342174170     
+   12.4710837921322       split increased to            2  itime       36821 
+  itsplit           1
 Momenta zeroed out, time             7399.80
- acceleration/energy drift too large   2.69917574206609     
-   11.1252589865867       split increased to            2  itime       37576 
+ acceleration/energy drift too large   10.9974337307524     
+   54.5786602035554       split increased to            2  itime       37416 
   itsplit           1
 Momenta zeroed out, time             7599.80
- acceleration/energy drift too large   4.77158482218448     
-   18.8397375752379       split increased to            2  itime       38425 
-  itsplit           1
 Momenta zeroed out, time             7799.80
- acceleration/energy drift too large   2.43547045623956     
-   12.0784584664587       split increased to            2  itime       39740 
-  itsplit           1
- acceleration/energy drift too large   2.95089798557898     
-   16.8016937513942       split increased to            2  itime       39889 
-  itsplit           1
 Velocities reset to random values, time             7999.80
 Momenta zeroed out, time             7999.80
- acceleration/energy drift too large   9.65033203379723     
-   43.1327009185684       split increased to            2  itime       40246 
-  itsplit           1
- acceleration/energy drift too large   5.17554436547568     
-   12.3664376122273       split increased to            2  itime       40767 
+ acceleration/energy drift too large   6.69409316764314     
+   19.5766550893360       split increased to            2  itime       40538 
   itsplit           1
 Momenta zeroed out, time             8199.80
- acceleration/energy drift too large   3.42096226716759     
-   21.3961284308076       split increased to            2  itime       41569 
+ acceleration/energy drift too large   2.89239028208883     
+   17.9379774243772       split increased to            2  itime       41905 
   itsplit           1
-Momenta zeroed out, time             8399.80
- acceleration/energy drift too large   5.42400664920931     
-   26.5899544561993       split increased to            2  itime       42634 
+ acceleration/energy drift too large   3.93250748002657     
+   17.5689506017183       split increased to            2  itime       41938 
   itsplit           1
- acceleration/energy drift too large   4.79497007792608     
-   23.5850179493725       split increased to            2  itime       42866 
+Momenta zeroed out, time             8399.80
+ acceleration/energy drift too large   2.59445848328979     
+   16.5743367153945       split increased to            2  itime       42303 
   itsplit           1
-Momenta zeroed out, time             8599.80
- acceleration/energy drift too large   7.25576969581906     
-   10.7568374628526       split increased to            2  itime       43377 
+ acceleration/energy drift too large   2.51865137095726     
+   16.1810824180766       split increased to            2  itime       42429 
   itsplit           1
-Momenta zeroed out, time             8799.80
- acceleration/energy drift too large   5.47647520548121     
-   15.2520414151333       split increased to            2  itime       44524 
+ acceleration/energy drift too large   7.90402634318401     
+   30.0062921366526       split increased to            2  itime       42525 
   itsplit           1
- acceleration/energy drift too large   3.83888049532908     
-   22.6303107455405       split increased to            2  itime       44777 
+ acceleration/energy drift too large   3.01067962077567     
+   10.9386479672668       split increased to            2  itime       42548 
   itsplit           1
+Momenta zeroed out, time             8599.80
+Momenta zeroed out, time             8799.80
 Momenta zeroed out, time             8999.80
- acceleration/energy drift too large   2.08494153041873     
-   11.4827657841823       split increased to            2  itime       45722 
+ acceleration/energy drift too large   1.51315039123474     
+   10.4324427236348       split increased to            2  itime       45028 
   itsplit           1
-Momenta zeroed out, time             9199.80
- acceleration/energy drift too large   3.10602269185193     
-   17.4977397482563       split increased to            2  itime       46127 
+ acceleration/energy drift too large   5.43825635999384     
+   18.3465912224261       split increased to            2  itime       45967 
   itsplit           1
+Momenta zeroed out, time             9199.80
 Momenta zeroed out, time             9399.80
+ acceleration/energy drift too large   5.20716988600324     
+   10.9892761413615       split increased to            2  itime       47383 
+  itsplit           1
 Momenta zeroed out, time             9599.80
 Momenta zeroed out, time             9799.80
- acceleration/energy drift too large   6.05289422361522     
-   17.5642647690360       split increased to            2  itime       49085 
-  itsplit           1
- acceleration/energy drift too large   5.46915886406872     
-   33.9858416476805       split increased to            2  itime       49096 
+ acceleration/energy drift too large   4.67046476961574     
+   23.1814607216964       split increased to            2  itime       49349 
   itsplit           1
 Velocities reset to random values, time             9999.80
 Momenta zeroed out, time             9999.80
- acceleration/energy drift too large   3.49123620507442     
-   12.4464436285169       split increased to            2  itime       50236 
-  itsplit           1
- acceleration/energy drift too large   2.64770389596469     
-   13.0822602668641       split increased to            2  itime       50243 
+ acceleration/energy drift too large   7.25588466216361     
+   15.6567681200165       split increased to            2  itime       50823 
   itsplit           1
- acceleration/energy drift too large   3.94802016068076     
-   24.5933948570436       split increased to            2  itime       50569 
-  itsplit           1
- acceleration/energy drift too large   3.42422375223837     
-   13.6866680214338       split increased to            2  itime       50888 
+ acceleration/energy drift too large   6.70081340913085     
+   13.0756659415633       split increased to            2  itime       50939 
   itsplit           1
 Momenta zeroed out, time            10199.80
- acceleration/energy drift too large   6.15996513440019     
-   13.8697549317385       split increased to            2  itime       51869 
+ acceleration/energy drift too large   7.03592151004871     
+   25.0392544052367       split increased to            2  itime       51593 
   itsplit           1
 Momenta zeroed out, time            10399.80
- acceleration/energy drift too large   4.21458973388568     
-   10.9277041778554       split increased to            2  itime       52151 
-  itsplit           1
- acceleration/energy drift too large   2.16634198727088     
-   10.0548985465606       split increased to            2  itime       52542 
+ acceleration/energy drift too large   5.60065228438992     
+   19.2371351114060       split increased to            2  itime       52509 
   itsplit           1
 Momenta zeroed out, time            10599.80
 Momenta zeroed out, time            10799.80
- acceleration/energy drift too large   7.62186802310461     
-   36.8670298848681       split increased to            2  itime       54471 
-  itsplit           1
- acceleration/energy drift too large   6.12152761417365     
-   14.8554302274970       split increased to            2  itime       54476 
+ acceleration/energy drift too large   3.60153631554638     
+   15.4991410290623       split increased to            2  itime       54190 
   itsplit           1
 Momenta zeroed out, time            10999.80
+ acceleration/energy drift too large   6.05787497868453     
+   16.7655545484412       split increased to            2  itime       55032 
+  itsplit           1
 Momenta zeroed out, time            11199.80
+ acceleration/energy drift too large   4.97790794649984     
+   13.6454003078984       split increased to            2  itime       56793 
+  itsplit           1
+ acceleration/energy drift too large   3.78140162584611     
+   10.0267763066150       split increased to            2  itime       56837 
+  itsplit           1
 Momenta zeroed out, time            11399.80
- acceleration/energy drift too large   3.06462327947633     
-   12.2710340238113       split increased to            2  itime       57296 
+ acceleration/energy drift too large   9.14047792769750     
+   35.1078116447473       split increased to            2  itime       57090 
   itsplit           1
 Momenta zeroed out, time            11599.80
- acceleration/energy drift too large   2.55799400138750     
-   11.1502318968094       split increased to            2  itime       58544 
-  itsplit           1
- acceleration/energy drift too large   2.24446813279950     
-   10.0251330990616       split increased to            2  itime       58545 
+ acceleration/energy drift too large   4.60223515498998     
+   12.1553700367219       split increased to            2  itime       58274 
   itsplit           1
 Momenta zeroed out, time            11799.80
- acceleration/energy drift too large   4.58933224709186     
-   13.4554689452538       split increased to            2  itime       59460 
+ acceleration/energy drift too large   6.76802864761336     
+   14.2032106470122       split increased to            2  itime       59965 
+  itsplit           1
+ acceleration/energy drift too large   5.11662830294958     
+   15.5761866591757       split increased to            2  itime       59992 
   itsplit           1
 Velocities reset to random values, time            11999.80
 Momenta zeroed out, time            11999.80
- acceleration/energy drift too large   7.63250067577254     
-   16.9714786953628       split increased to            2  itime       60576 
+ acceleration/energy drift too large   4.50932075474854     
+   13.3267650874934       split increased to            2  itime       60947 
   itsplit           1
 Momenta zeroed out, time            12199.80
 Momenta zeroed out, time            12399.80
- acceleration/energy drift too large   13.7187383594315     
-   104.116420486003       split increased to            2  itime       62361 
+ acceleration/energy drift too large   5.07782187336941     
+   15.9636270306001       split increased to            2  itime       62124 
   itsplit           1
- acceleration/energy drift too large   3.00820384210628     
-   20.6657928734686       split increased to            4  itime       62361 
-  itsplit           2
-Momenta zeroed out, time            12599.80
- acceleration/energy drift too large   5.19504007862750     
-   12.6891890066174       split increased to            2  itime       63312 
+ acceleration/energy drift too large   2.56034590937383     
+   15.0004995881879       split increased to            2  itime       62522 
   itsplit           1
- acceleration/energy drift too large   12.3102096835020     
-   57.5391650318589       split increased to            2  itime       63431 
+ acceleration/energy drift too large   5.00745613439657     
+   12.2742349810663       split increased to            2  itime       62681 
   itsplit           1
-Momenta zeroed out, time            12799.80
- acceleration/energy drift too large   4.96733200974131     
-   17.6329520190959       split increased to            2  itime       64156 
+ acceleration/energy drift too large   3.73572639758230     
+   17.3213883836926       split increased to            2  itime       62770 
+  itsplit           1
+Momenta zeroed out, time            12599.80
+ acceleration/energy drift too large   7.22209089648347     
+   51.5724878207893       split increased to            2  itime       63095 
   itsplit           1
- acceleration/energy drift too large   12.3174932890339     
-   84.6188230234831       split increased to            2  itime       64555 
+Momenta zeroed out, time            12799.80
+ acceleration/energy drift too large   4.92987397832556     
+   15.6627697065045       split increased to            2  itime       64845 
   itsplit           1
 Momenta zeroed out, time            12999.80
- acceleration/energy drift too large   11.9815194609758     
-   67.4010408967585       split increased to            2  itime       65084 
+ acceleration/energy drift too large   12.8289665838647     
+   67.3844389705054       split increased to            2  itime       65007 
   itsplit           1
- acceleration/energy drift too large   6.12096174470431     
-   13.2616727986377       split increased to            2  itime       65759 
+ acceleration/energy drift too large   3.12264602995733     
+   16.0869073654653       split increased to            4  itime       65007 
+  itsplit           2
+ acceleration/energy drift too large   4.14116795459421     
+   12.1648987423409       split increased to            2  itime       65391 
   itsplit           1
 Momenta zeroed out, time            13199.80
- acceleration/energy drift too large   4.87273465913751     
-   12.7384106322641       split increased to            2  itime       66065 
-  itsplit           1
- acceleration/energy drift too large   4.70808555153084     
-   19.3080087054541       split increased to            2  itime       66538 
-  itsplit           1
 Momenta zeroed out, time            13399.80
- acceleration/energy drift too large   2.28916283219514     
-   14.8246757437743       split increased to            2  itime       67691 
-  itsplit           1
 Momenta zeroed out, time            13599.80
+ acceleration/energy drift too large   9.96177363922999     
+   45.7793319998176       split increased to            2  itime       68638 
+  itsplit           1
 Momenta zeroed out, time            13799.80
+ acceleration/energy drift too large   5.19634908964353     
+   23.4798111492418       split increased to            2  itime       69315 
+  itsplit           1
 Velocities reset to random values, time            13999.80
 Momenta zeroed out, time            13999.80
- acceleration/energy drift too large   2.86639781512717     
-   11.0199884978167       split increased to            2  itime       70972 
+ acceleration/energy drift too large   6.92300497926088     
+   19.2819098532337       split increased to            2  itime       70635 
   itsplit           1
- acceleration/energy drift too large   3.03537137025516     
-   14.6628410389317       split increased to            2  itime       70996 
+ acceleration/energy drift too large   4.66892767333785     
+   11.7993687618410       split increased to            2  itime       70686 
   itsplit           1
-Momenta zeroed out, time            14199.80
- acceleration/energy drift too large   5.29554908330285     
-   25.0124210434791       split increased to            2  itime       71439 
+ acceleration/energy drift too large   1.36552787659916     
+   10.4280435476150       split increased to            2  itime       70687 
   itsplit           1
- acceleration/energy drift too large   3.69220225499912     
-   12.1390437811030       split increased to            2  itime       71777 
+Momenta zeroed out, time            14199.80
+ acceleration/energy drift too large   5.59224173310241     
+   12.4203305734693       split increased to            2  itime       71616 
   itsplit           1
 Momenta zeroed out, time            14399.80
-Momenta zeroed out, time            14599.80
- acceleration/energy drift too large   7.70666596297863     
-   26.8820355787156       split increased to            2  itime       73838 
+ acceleration/energy drift too large   14.4345577980528     
+   97.0620054183153       split increased to            2  itime       72229 
   itsplit           1
- acceleration/energy drift too large   3.95227496117857     
-   14.4885374898892       split increased to            2  itime       73935 
+ acceleration/energy drift too large   4.82155342797198     
+   18.0856983736470       split increased to            2  itime       72514 
   itsplit           1
+Momenta zeroed out, time            14599.80
 Momenta zeroed out, time            14799.80
- acceleration/energy drift too large   7.47316693592574     
-   15.4962691511726       split increased to            2  itime       74351 
-  itsplit           1
- acceleration/energy drift too large   7.84472134508457     
-   22.0460596913311       split increased to            2  itime       74500 
-  itsplit           1
 Momenta zeroed out, time            14999.80
- acceleration/energy drift too large   6.05983402311077     
-   16.1158207228168       split increased to            2  itime       75165 
-  itsplit           1
- acceleration/energy drift too large   4.65578309980038     
-   10.1811231870714       split increased to            2  itime       75207 
-  itsplit           1
- acceleration/energy drift too large   11.2134656945510     
-   60.3921220910924       split increased to            2  itime       75604 
+ acceleration/energy drift too large   5.27601667309285     
+   12.9975674726818       split increased to            2  itime       75964 
   itsplit           1
 Momenta zeroed out, time            15199.80
 Momenta zeroed out, time            15399.80
- acceleration/energy drift too large   5.48484097748621     
-   20.1513827651935       split increased to            2  itime       77940 
-  itsplit           1
 Momenta zeroed out, time            15599.80
- acceleration/energy drift too large   3.60427665703268     
-   12.3221675039478       split increased to            2  itime       78456 
+ acceleration/energy drift too large   4.82704129530256     
+   26.3968425716550       split increased to            2  itime       78352 
   itsplit           1
- acceleration/energy drift too large   3.74717734131940     
-   10.8887068682558       split increased to            2  itime       78482 
+ acceleration/energy drift too large   5.17297587801789     
+   14.0743239918247       split increased to            2  itime       78456 
   itsplit           1
- acceleration/energy drift too large   4.88977623878677     
-   20.3468493383722       split increased to            2  itime       78525 
+Momenta zeroed out, time            15799.80
+ acceleration/energy drift too large   6.01102350118143     
+   31.3598182376408       split increased to            2  itime       79061 
   itsplit           1
- acceleration/energy drift too large   6.72372878353941     
-   40.7450956293170       split increased to            2  itime       78539 
+ acceleration/energy drift too large   6.54933431827050     
+   23.9672977181560       split increased to            2  itime       79681 
   itsplit           1
-Momenta zeroed out, time            15799.80
 Velocities reset to random values, time            15999.80
 Momenta zeroed out, time            15999.80
- acceleration/energy drift too large   4.14465343872254     
-   17.4886428333780       split increased to            2  itime       80021 
-  itsplit           1
- acceleration/energy drift too large   7.26693227327015     
-   25.6220925463911       split increased to            2  itime       80242 
-  itsplit           1
- acceleration/energy drift too large   7.50604528296849     
-   25.8035201026979       split increased to            2  itime       80689 
+ acceleration/energy drift too large   3.11639615036044     
+   21.1751210204151       split increased to            2  itime       80440 
   itsplit           1
 Momenta zeroed out, time            16199.80
- acceleration/energy drift too large   6.10186519309328     
-   24.1430315269099       split increased to            2  itime       81206 
-  itsplit           1
- acceleration/energy drift too large   7.70431328064846     
-   21.6351634190560       split increased to            2  itime       81480 
-  itsplit           1
 Momenta zeroed out, time            16399.80
+ acceleration/energy drift too large   6.03806418917305     
+   22.5463299270312       split increased to            2  itime       82920 
+  itsplit           1
 Momenta zeroed out, time            16599.80
- acceleration/energy drift too large   5.95846954713720     
-   22.5502320221757       split increased to            2  itime       83411 
+ acceleration/energy drift too large   1.87537911875610     
+   10.4772751883116       split increased to            2  itime       83327 
   itsplit           1
 Momenta zeroed out, time            16799.80
- acceleration/energy drift too large   9.95393702859785     
-   36.3268009597508       split increased to            2  itime       84850 
-  itsplit           1
- acceleration/energy drift too large  8.268328713148287E-002
-   12.1485116829839       split increased to            2  itime       84851 
-  itsplit           1
 Momenta zeroed out, time            16999.80
- acceleration/energy drift too large   6.31915246575869     
-   13.9069049798784       split increased to            2  itime       85150 
-  itsplit           1
 Momenta zeroed out, time            17199.80
- acceleration/energy drift too large   4.55740545840354     
-   26.2716486843475       split increased to            2  itime       86135 
-  itsplit           1
- acceleration/energy drift too large   4.72277077535314     
-   19.7296595360126       split increased to            2  itime       86729 
-  itsplit           1
 Momenta zeroed out, time            17399.80
- acceleration/energy drift too large   3.70896362453947     
-   21.0434371441489       split increased to            2  itime       87243 
-  itsplit           1
- acceleration/energy drift too large   3.81176182648610     
-   14.8002853377716       split increased to            2  itime       87247 
+ acceleration/energy drift too large   12.7953842892588     
+   63.2964429147350       split increased to            2  itime       87409 
   itsplit           1
- acceleration/energy drift too large   14.4773760934135     
-   83.1655912439923       split increased to            2  itime       87568 
-  itsplit           1
- acceleration/energy drift too large   6.43669498190039     
-   24.7103822728398       split increased to            2  itime       87661 
-  itsplit           1
- acceleration/energy drift too large   5.11389947774336     
-   19.0242480258553       split increased to            2  itime       87677 
-  itsplit           1
- acceleration/energy drift too large   3.99454746273189     
-   17.8993661631168       split increased to            2  itime       87789 
+ acceleration/energy drift too large   14.8799098351887     
+   70.3331969620055       split increased to            2  itime       87612 
   itsplit           1
 Momenta zeroed out, time            17599.80
- acceleration/energy drift too large   5.83665110942287     
-   22.2993729258181       split increased to            2  itime       88167 
-  itsplit           1
 Momenta zeroed out, time            17799.80
- acceleration/energy drift too large   9.59495595491184     
-   41.2168986306612       split increased to            2  itime       89070 
+ acceleration/energy drift too large   6.63850728827624     
+   14.4581576680315       split increased to            2  itime       89216 
   itsplit           1
- acceleration/energy drift too large  0.849526388619848     
-   10.2858827289395       split increased to            2  itime       89071 
+ acceleration/energy drift too large   4.70206072644866     
+   10.2002886784687       split increased to            2  itime       89618 
   itsplit           1
- acceleration/energy drift too large   4.89454747474185     
-   21.7091434539059       split increased to            2  itime       89805 
+ acceleration/energy drift too large   7.08180310572114     
+   20.3161630556032       split increased to            2  itime       89640 
   itsplit           1
 Velocities reset to random values, time            17999.80
 Momenta zeroed out, time            17999.80
-Momenta zeroed out, time            18199.80
- acceleration/energy drift too large   10.5006786925324     
-   51.6653726543636       split increased to            2  itime       91104 
+ acceleration/energy drift too large   2.16255258339038     
+   13.8497829464677       split increased to            2  itime       90513 
   itsplit           1
+Momenta zeroed out, time            18199.80
 Momenta zeroed out, time            18399.80
- acceleration/energy drift too large   2.80337943348287     
-   18.1369627095848       split increased to            2  itime       92769 
-  itsplit           1
 Momenta zeroed out, time            18599.80
- acceleration/energy drift too large   3.93078260288875     
-   19.0538307986456       split increased to            2  itime       93437 
-  itsplit           1
 Momenta zeroed out, time            18799.80
- acceleration/energy drift too large   2.90446659747457     
-   19.5136423251606       split increased to            2  itime       94625 
+ acceleration/energy drift too large   3.18351136770342     
+   11.3019801382200       split increased to            2  itime       94963 
   itsplit           1
 Momenta zeroed out, time            18999.80
- acceleration/energy drift too large   1.97148515954359     
-   10.9473708206530       split increased to            2  itime       95551 
-  itsplit           1
- acceleration/energy drift too large   13.9195721003711     
-   95.0654654320353       split increased to            2  itime       95664 
+ acceleration/energy drift too large   11.7593891291287     
+   56.1890291738793       split increased to            2  itime       95602 
   itsplit           1
 Momenta zeroed out, time            19199.80
-Momenta zeroed out, time            19399.80
- acceleration/energy drift too large   4.33445517145564     
-   12.6816400265287       split increased to            2  itime       97436 
+ acceleration/energy drift too large   4.59561318273598     
+   15.1669148278024       split increased to            2  itime       96337 
   itsplit           1
+Momenta zeroed out, time            19399.80
 Momenta zeroed out, time            19599.80
- acceleration/energy drift too large   3.23260556163992     
-   12.8332024135427       split increased to            2  itime       98411 
-  itsplit           1
- acceleration/energy drift too large   2.59140078467001     
-   20.3549442020017       split increased to            2  itime       98561 
-  itsplit           1
 Momenta zeroed out, time            19799.80
- acceleration/energy drift too large   3.18788822590108     
-   12.5142942881998       split increased to            2  itime       99351 
+ acceleration/energy drift too large   3.78308652680886     
+   12.4315013351331       split increased to            2  itime       99031 
+  itsplit           1
+ acceleration/energy drift too large   4.22232151942996     
+   12.7958512871859       split increased to            2  itime       99114 
   itsplit           1
- acceleration/energy drift too large   8.45507644977009     
-   24.9112652562281       split increased to            2  itime       99568 
+ acceleration/energy drift too large   5.26606861138380     
+   24.3955981835222       split increased to            2  itime       99162 
   itsplit           1
- acceleration/energy drift too large   4.88311007305268     
-   12.4461556157891       split increased to            2  itime       99752 
+ acceleration/energy drift too large   3.29977203306328     
+   11.7723113888890       split increased to            2  itime       99664 
   itsplit           1
 Velocities reset to random values, time            19999.80
 Momenta zeroed out, time            19999.80
- acceleration/energy drift too large   5.17714185565150     
-   14.7790533112533       split increased to            2  itime      100791 
+ acceleration/energy drift too large   3.25547304166504     
+   22.4203476975928       split increased to            2  itime      100111 
+  itsplit           1
+ acceleration/energy drift too large   6.33094636586070     
+   14.2126259408108       split increased to            2  itime      100285 
+  itsplit           1
+ acceleration/energy drift too large   4.72144333827006     
+   24.5918392971009       split increased to            2  itime      100764 
   itsplit           1
 Momenta zeroed out, time            20199.80
- acceleration/energy drift too large   2.97550636805576     
-   20.9242284534407       split increased to            2  itime      101618 
+ acceleration/energy drift too large   3.52287110072441     
+   15.7380399144625       split increased to            2  itime      101153 
+  itsplit           1
+ acceleration/energy drift too large   4.39837694552656     
+   17.8062629773156       split increased to            2  itime      101983 
   itsplit           1
 Momenta zeroed out, time            20399.80
-Momenta zeroed out, time            20599.80
- acceleration/energy drift too large   4.70307927647887     
-   12.8476741731256       split increased to            2  itime      103329 
+ acceleration/energy drift too large   5.74899253034546     
+   19.7545394813787       split increased to            2  itime      102128 
   itsplit           1
- acceleration/energy drift too large   5.23317372233495     
-   16.5185871104273       split increased to            2  itime      103509 
+ acceleration/energy drift too large   6.77210767531368     
+   44.6960228866131       split increased to            2  itime      102769 
   itsplit           1
-Momenta zeroed out, time            20799.80
-Momenta zeroed out, time            20999.80
- acceleration/energy drift too large   8.50318952418631     
-   36.5920356056540       split increased to            2  itime      105785 
+ acceleration/energy drift too large   3.19724284736827     
+   10.7077523453137       split increased to            2  itime      102863 
   itsplit           1
- acceleration/energy drift too large   3.79513482196683     
-   13.8359079557414       split increased to            2  itime      105786 
+Momenta zeroed out, time            20599.80
+Momenta zeroed out, time            20799.80
+ acceleration/energy drift too large   7.17360750802533     
+   12.9318935835835       split increased to            2  itime      104089 
   itsplit           1
- acceleration/energy drift too large   2.86195660433272     
-   21.6550867439204       split increased to            2  itime      105983 
+ acceleration/energy drift too large   2.18273275994606     
+   10.6282656062938       split increased to            2  itime      104272 
   itsplit           1
+Momenta zeroed out, time            20999.80
 Momenta zeroed out, time            21199.80
- acceleration/energy drift too large   2.85861194076522     
-   11.7628914713422       split increased to            2  itime      106601 
-  itsplit           1
- acceleration/energy drift too large   3.81034456719126     
-   15.2326123513912       split increased to            2  itime      106612 
+ acceleration/energy drift too large   4.92122489551196     
+   15.0419972238898       split increased to            2  itime      106247 
   itsplit           1
 Momenta zeroed out, time            21399.80
-Momenta zeroed out, time            21599.80
- acceleration/energy drift too large   4.83618539537830     
-   10.8310025182536       split increased to            2  itime      108087 
+ acceleration/energy drift too large   1.86306711442657     
+   16.6016425931567       split increased to            2  itime      107052 
   itsplit           1
- acceleration/energy drift too large   1.99809729629547     
-   11.3469234502643       split increased to            2  itime      108765 
+ acceleration/energy drift too large   6.26494480048187     
+   15.0603772556952       split increased to            2  itime      107407 
   itsplit           1
+Momenta zeroed out, time            21599.80
 Momenta zeroed out, time            21799.80
 Velocities reset to random values, time            21999.80
 Momenta zeroed out, time            21999.80
- acceleration/energy drift too large   8.91421510797691     
-   65.6387858393763       split increased to            2  itime      110360 
+ acceleration/energy drift too large   7.39721259026358     
+   57.1445580539515       split increased to            2  itime      110550 
   itsplit           1
- acceleration/energy drift too large   8.58287301456118     
-   33.2285076130171       split increased to            2  itime      110636 
+ acceleration/energy drift too large   5.05648724313895     
+   25.0359360724757       split increased to            2  itime      110759 
   itsplit           1
 Momenta zeroed out, time            22199.80
 Momenta zeroed out, time            22399.80
- acceleration/energy drift too large   4.75112418117400     
-   16.3653964136941       split increased to            2  itime      112804 
+ acceleration/energy drift too large   2.00915358480224     
+   10.5814217210991       split increased to            2  itime      112052 
   itsplit           1
- acceleration/energy drift too large   5.38886739604805     
-   35.4654874454919       split increased to            2  itime      112939 
+ acceleration/energy drift too large   3.87565083544711     
+   14.0182609937153       split increased to            2  itime      112381 
   itsplit           1
- acceleration/energy drift too large   3.42587776161624     
-   12.1642987164902       split increased to            2  itime      112940 
+ acceleration/energy drift too large   5.93290564313990     
+   37.6128317758606       split increased to            2  itime      112701 
   itsplit           1
- acceleration/energy drift too large   2.99406561394442     
-   17.6524699119178       split increased to            2  itime      112963 
+ acceleration/energy drift too large   3.53601697619210     
+   10.0759610171764       split increased to            2  itime      112823 
   itsplit           1
 Momenta zeroed out, time            22599.80
- acceleration/energy drift too large   5.19037721329561     
-   21.8316143891930       split increased to            2  itime      113472 
-  itsplit           1
- acceleration/energy drift too large   6.89528649707419     
-   11.7361187154017       split increased to            2  itime      113727 
+ acceleration/energy drift too large   5.59029679718183     
+   12.4875911210731       split increased to            2  itime      113475 
   itsplit           1
 Momenta zeroed out, time            22799.80
-Momenta zeroed out, time            22999.80
- acceleration/energy drift too large   7.99941950389427     
-   29.8328763501146       split increased to            2  itime      115615 
+ acceleration/energy drift too large   5.63448422575289     
+   41.2377284501783       split increased to            2  itime      114162 
   itsplit           1
+Momenta zeroed out, time            22999.80
 Momenta zeroed out, time            23199.80
-Momenta zeroed out, time            23399.80
- acceleration/energy drift too large   8.90112943355124     
-   29.2826366286518       split increased to            2  itime      117236 
+ acceleration/energy drift too large   4.70667926472623     
+   11.0382726228585       split increased to            2  itime      116046 
   itsplit           1
- acceleration/energy drift too large   4.12492565957932     
-   12.8539003601729       split increased to            2  itime      117487 
-  itsplit           1
- acceleration/energy drift too large   3.17096231338731     
-   18.7733527682883       split increased to            2  itime      117789 
+ acceleration/energy drift too large   14.8944913121779     
+   103.171782304916       split increased to            2  itime      116746 
   itsplit           1
+Momenta zeroed out, time            23399.80
 Momenta zeroed out, time            23599.80
- acceleration/energy drift too large   3.78281612140425     
-   12.0218483467064       split increased to            2  itime      118668 
+ acceleration/energy drift too large   7.14898223736565     
+   25.6563703350555       split increased to            2  itime      118961 
   itsplit           1
 Momenta zeroed out, time            23799.80
- acceleration/energy drift too large   4.44605188398275     
-   19.8884915104128       split increased to            2  itime      119526 
+ acceleration/energy drift too large   3.29984219169709     
+   24.1269913612671       split increased to            2  itime      119143 
+  itsplit           1
+ acceleration/energy drift too large   3.62926913402150     
+   13.3566162089432       split increased to            2  itime      119168 
   itsplit           1
 Velocities reset to random values, time            23999.80
 Momenta zeroed out, time            23999.80
- acceleration/energy drift too large   10.4941443823577     
-   55.6432619425130       split increased to            2  itime      120159 
+ acceleration/energy drift too large   4.74578615993495     
+   15.7037068823932       split increased to            2  itime      120265 
   itsplit           1
 Momenta zeroed out, time            24199.80
- acceleration/energy drift too large   5.01179627817804     
-   15.6872788782093       split increased to            2  itime      121645 
-  itsplit           1
 Momenta zeroed out, time            24399.80
 Momenta zeroed out, time            24599.80
- acceleration/energy drift too large   4.10706050439230     
-   19.1009735693288       split increased to            2  itime      123823 
-  itsplit           1
 Momenta zeroed out, time            24799.80
- acceleration/energy drift too large   5.53383389972698     
-   13.9835494231604       split increased to            2  itime      124650 
+ acceleration/energy drift too large   5.98910602639558     
+   20.9411663508165       split increased to            2  itime      124065 
   itsplit           1
-Momenta zeroed out, time            24999.80
- acceleration/energy drift too large   5.79358100205261     
-   19.1124249012551       split increased to            2  itime      125055 
+ acceleration/energy drift too large   7.12288470273346     
+   18.3870380462112       split increased to            2  itime      124097 
   itsplit           1
- acceleration/energy drift too large   4.26484526578595     
-   10.7861643815218       split increased to            2  itime      125232 
+ acceleration/energy drift too large   9.83268842971182     
+   48.0280256859914       split increased to            2  itime      124905 
   itsplit           1
-Momenta zeroed out, time            25199.80
-Momenta zeroed out, time            25399.80
- acceleration/energy drift too large   5.75601874476940     
-   14.8042714663691       split increased to            2  itime      127359 
+ acceleration/energy drift too large   1.99984665018631     
+   10.6214562548278       split increased to            2  itime      124906 
   itsplit           1
- acceleration/energy drift too large   3.85114174891728     
-   19.9903774486441       split increased to            2  itime      127559 
+Momenta zeroed out, time            24999.80
+ acceleration/energy drift too large   4.92697441559905     
+   19.1745814128225       split increased to            2  itime      125345 
   itsplit           1
- acceleration/energy drift too large   9.67765037123688     
-   42.5172396388021       split increased to            2  itime      127577 
+ acceleration/energy drift too large   3.24736236072122     
+   10.2171971985237       split increased to            2  itime      125373 
   itsplit           1
- acceleration/energy drift too large   5.03824807967802     
-   28.3671240678742       split increased to            2  itime      127922 
+ acceleration/energy drift too large   6.44781538296950     
+   13.8690095741179       split increased to            2  itime      125943 
   itsplit           1
-Momenta zeroed out, time            25599.80
- acceleration/energy drift too large   4.56425869073939     
-   16.3988135109484       split increased to            2  itime      128083 
+Momenta zeroed out, time            25199.80
+ acceleration/energy drift too large   8.27305242068458     
+   29.4046065619784       split increased to            2  itime      126202 
+  itsplit           1
+Momenta zeroed out, time            25399.80
+ acceleration/energy drift too large   10.4233170954129     
+   57.2991695248392       split increased to            2  itime      127282 
   itsplit           1
- acceleration/energy drift too large   2.78689214594721     
-   12.0269660309108       split increased to            2  itime      128899 
+ acceleration/energy drift too large   7.11683445864857     
+   36.3213950694350       split increased to            2  itime      127793 
   itsplit           1
- acceleration/energy drift too large   5.82686685886552     
-   10.1850357184278       split increased to            2  itime      128934 
+Momenta zeroed out, time            25599.80
+ acceleration/energy drift too large   3.92801775905141     
+   12.1069218946944       split increased to            2  itime      128416 
   itsplit           1
 Momenta zeroed out, time            25799.80
- acceleration/energy drift too large   3.77451403424304     
-   12.8812739335947       split increased to            2  itime      129098 
+ acceleration/energy drift too large   6.13431880993543     
+   22.6712454003964       split increased to            2  itime      129455 
   itsplit           1
 Velocities reset to random values, time            25999.80
 Momenta zeroed out, time            25999.80
- acceleration/energy drift too large   10.5280223118590     
-   34.8091607118745       split increased to            2  itime      130110 
+ acceleration/energy drift too large   4.79831407195882     
+   14.9258056188397       split increased to            2  itime      130103 
+  itsplit           1
+ acceleration/energy drift too large   2.64317700672917     
+   11.2060186556853       split increased to            2  itime      130356 
   itsplit           1
 Momenta zeroed out, time            26199.80
 Momenta zeroed out, time            26399.80
- acceleration/energy drift too large   2.63972565544833     
-   14.7171635769517       split increased to            2  itime      132784 
+ acceleration/energy drift too large   8.06486434156009     
+   26.2140993851136       split increased to            2  itime      132169 
   itsplit           1
- acceleration/energy drift too large   7.47966890084763     
-   18.2157369316359       split increased to            2  itime      132868 
+ acceleration/energy drift too large   3.00694844843111     
+   13.8623582965112       split increased to            2  itime      132582 
   itsplit           1
-Momenta zeroed out, time            26599.80
- acceleration/energy drift too large   2.57580055616354     
-   10.3463559534673       split increased to            2  itime      133842 
+ acceleration/energy drift too large   5.79067326595465     
+   16.3383714937148       split increased to            2  itime      132816 
   itsplit           1
+Momenta zeroed out, time            26599.80
 Momenta zeroed out, time            26799.80
- acceleration/energy drift too large   6.36149405123167     
-   48.9368486818210       split increased to            2  itime      134144 
+ acceleration/energy drift too large   2.04959132057005     
+   10.1079729525620       split increased to            2  itime      134549 
+  itsplit           1
+ acceleration/energy drift too large   8.76605269907713     
+   34.1490506776761       split increased to            2  itime      134631 
   itsplit           1
 Momenta zeroed out, time            26999.80
- acceleration/energy drift too large   5.66941090298724     
-   11.9962611878455       split increased to            2  itime      135364 
+ acceleration/energy drift too large   5.85705460768693     
+   11.7815578632003       split increased to            2  itime      135159 
   itsplit           1
- acceleration/energy drift too large   4.16204184910384     
-   12.3728706028916       split increased to            2  itime      135967 
+ acceleration/energy drift too large   1.92180809313659     
+   10.9725919811516       split increased to            2  itime      135335 
   itsplit           1
 Momenta zeroed out, time            27199.80
- acceleration/energy drift too large   15.9379025074637     
-   90.6428623586816       split increased to            2  itime      136005 
-  itsplit           1
- acceleration/energy drift too large   5.19131715098859     
-   20.0646871650007       split increased to            2  itime      136698 
-  itsplit           1
 Momenta zeroed out, time            27399.80
- acceleration/energy drift too large   2.72031617745728     
-   15.5902575140907       split increased to            2  itime      137065 
+ acceleration/energy drift too large   5.14271154675916     
+   19.7487066690797       split increased to            2  itime      137845 
   itsplit           1
-Momenta zeroed out, time            27599.80
- acceleration/energy drift too large   5.42459213092152     
-   27.5402691772472       split increased to            2  itime      138310 
+ acceleration/energy drift too large   4.31478589152035     
+   19.3463752822197       split increased to            2  itime      137936 
   itsplit           1
+Momenta zeroed out, time            27599.80
 Momenta zeroed out, time            27799.80
- acceleration/energy drift too large   4.02328478570085     
-   13.2668698518554       split increased to            2  itime      139437 
-  itsplit           1
- acceleration/energy drift too large   5.80480362395369     
-   24.8337903005049       split increased to            2  itime      139716 
+ acceleration/energy drift too large   5.48647629097452     
+   10.0039313112842       split increased to            2  itime      139948 
   itsplit           1
 Velocities reset to random values, time            27999.80
 Momenta zeroed out, time            27999.80
- acceleration/energy drift too large   3.71776476709357     
-   11.6968741500743       split increased to            2  itime      140281 
+ acceleration/energy drift too large   8.95683475639673     
+   38.5316486227952       split increased to            2  itime      140055 
+  itsplit           1
+ acceleration/energy drift too large   3.80623797600850     
+   16.2419535173346       split increased to            2  itime      140191 
   itsplit           1
 Momenta zeroed out, time            28199.80
- acceleration/energy drift too large   4.26073234286016     
-   22.0522239487863       split increased to            2  itime      141332 
+Momenta zeroed out, time            28399.80
+ acceleration/energy drift too large   3.49457963669695     
+   13.4404016437807       split increased to            2  itime      142028 
   itsplit           1
- acceleration/energy drift too large   8.60464504118089     
-   37.1093979857684       split increased to            2  itime      141435 
+ acceleration/energy drift too large   6.01154373845979     
+   27.6437538515276       split increased to            2  itime      142455 
+  itsplit           1
+ acceleration/energy drift too large   3.99715434258814     
+   19.4526246619768       split increased to            2  itime      142751 
   itsplit           1
-Momenta zeroed out, time            28399.80
 Momenta zeroed out, time            28599.80
- acceleration/energy drift too large   7.91959505713424     
-   16.8552700432383       split increased to            2  itime      143437 
+ acceleration/energy drift too large   4.48404664599248     
+   10.9447737996517       split increased to            2  itime      143884 
   itsplit           1
 Momenta zeroed out, time            28799.80
- acceleration/energy drift too large   4.63683113985775     
-   15.8835125802564       split increased to            2  itime      144357 
-  itsplit           1
- acceleration/energy drift too large   7.96010747085308     
-   24.4260562349295       split increased to            2  itime      144760 
+ acceleration/energy drift too large   8.39518627383071     
+   50.2106432936281       split increased to            2  itime      144718 
   itsplit           1
 Momenta zeroed out, time            28999.80
- acceleration/energy drift too large   7.28573400125530     
-   35.5915116681638       split increased to            2  itime      145208 
-  itsplit           1
 Momenta zeroed out, time            29199.80
+ acceleration/energy drift too large   5.20159824141658     
+   20.7332969252705       split increased to            2  itime      146048 
+  itsplit           1
+ acceleration/energy drift too large   4.60970626106309     
+   10.0380934759626       split increased to            2  itime      146548 
+  itsplit           1
+ acceleration/energy drift too large   5.44985074032855     
+   13.7299808138642       split increased to            2  itime      146766 
+  itsplit           1
+ acceleration/energy drift too large   2.57816984426010     
+   18.1981282941894       split increased to            2  itime      146780 
+  itsplit           1
 Momenta zeroed out, time            29399.80
+ acceleration/energy drift too large   8.08182792402596     
+   30.5120107325992       split increased to            2  itime      147734 
+  itsplit           1
+ acceleration/energy drift too large   9.66610991009007     
+   36.7436553314607       split increased to            2  itime      147906 
+  itsplit           1
+ acceleration/energy drift too large   1.95791085728450     
+   13.3502547995906       split increased to            2  itime      147907 
+  itsplit           1
 Momenta zeroed out, time            29599.80
- acceleration/energy drift too large   5.66474939937294     
-   12.8532201688839       split increased to            2  itime      148226 
+ acceleration/energy drift too large   4.02166849170945     
+   10.5157720908562       split increased to            2  itime      148030 
   itsplit           1
- acceleration/energy drift too large   2.01569488995070     
-   12.5319821340178       split increased to            2  itime      148470 
+ acceleration/energy drift too large   3.10809087364037     
+   20.5049319653573       split increased to            2  itime      148067 
   itsplit           1
- acceleration/energy drift too large   2.39252760575348     
-   10.4847285739433       split increased to            2  itime      148676 
+ acceleration/energy drift too large   7.13221116579381     
+   16.8282012204735       split increased to            2  itime      148394 
   itsplit           1
 Momenta zeroed out, time            29799.80
+ acceleration/energy drift too large   3.96515134847433     
+   13.2460629546487       split increased to            2  itime      149037 
+  itsplit           1
 Velocities reset to random values, time            29999.80
 Momenta zeroed out, time            29999.80
- acceleration/energy drift too large   6.19615891355319     
-   12.8033388284850       split increased to            2  itime      150387 
+ acceleration/energy drift too large   4.82532666548247     
+   31.2479767657474       split increased to            2  itime      150642 
   itsplit           1
- acceleration/energy drift too large   5.97193647306727     
-   12.7772367670754       split increased to            2  itime      150496 
+ acceleration/energy drift too large   5.26518133842093     
+   14.9917914453304       split increased to            2  itime      150961 
   itsplit           1
 Momenta zeroed out, time            30199.80
-Momenta zeroed out, time            30399.80
- acceleration/energy drift too large   3.82136429429451     
-   10.2542019758497       split increased to            2  itime      152121 
+ acceleration/energy drift too large   4.75329262106611     
+   10.0625117594691       split increased to            2  itime      151005 
   itsplit           1
+Momenta zeroed out, time            30399.80
 Momenta zeroed out, time            30599.80
- acceleration/energy drift too large   3.12711055389013     
-   10.5021088820647       split increased to            2  itime      153632 
+ acceleration/energy drift too large   5.51533440777196     
+   10.4886392847217       split increased to            2  itime      153693 
   itsplit           1
-Momenta zeroed out, time            30799.80
-Momenta zeroed out, time            30999.80
- acceleration/energy drift too large   12.5868689654376     
-   42.3266271065761       split increased to            2  itime      155132 
+ acceleration/energy drift too large   2.63657180320672     
+   10.2378235764496       split increased to            2  itime      153960 
   itsplit           1
- acceleration/energy drift too large   10.8987053663728     
-   41.6289550577760       split increased to            2  itime      155252 
+Momenta zeroed out, time            30799.80
+ acceleration/energy drift too large   6.25687918269374     
+   13.5294010397370       split increased to            2  itime      154080 
   itsplit           1
- acceleration/energy drift too large   2.70750405579221     
-   10.0840564771256       split increased to            4  itime      155252 
-  itsplit           2
- acceleration/energy drift too large   4.86347116313696     
-   14.4852022537150       split increased to            2  itime      155259 
+ acceleration/energy drift too large   1.91326809321661     
+   12.0733111755595       split increased to            2  itime      154147 
   itsplit           1
-Momenta zeroed out, time            31199.80
- acceleration/energy drift too large   3.46319373761146     
-   17.6940494504448       split increased to            2  itime      156766 
+ acceleration/energy drift too large   6.48186416089611     
+   14.7321855116965       split increased to            2  itime      154210 
   itsplit           1
-Momenta zeroed out, time            31399.80
- acceleration/energy drift too large   4.38572012482927     
-   18.4967562884248       split increased to            2  itime      157183 
+ acceleration/energy drift too large   1.69073263323390     
+   16.5113944521443       split increased to            2  itime      154393 
   itsplit           1
- acceleration/energy drift too large   5.92482046587388     
-   13.4280730322458       split increased to            2  itime      157674 
+ acceleration/energy drift too large   4.50917524809764     
+   13.0037004618332       split increased to            2  itime      154480 
   itsplit           1
- acceleration/energy drift too large   5.31896758440437     
-   11.2938690587020       split increased to            2  itime      157834 
+Momenta zeroed out, time            30999.80
+ acceleration/energy drift too large   8.69867722171947     
+   35.6460824944812       split increased to            2  itime      155591 
   itsplit           1
- acceleration/energy drift too large   3.45217539220899     
-   15.5459815005495       split increased to            2  itime      157835 
+Momenta zeroed out, time            31199.80
+Momenta zeroed out, time            31399.80
+ acceleration/energy drift too large   2.69266510729868     
+   12.1226056401982       split increased to            2  itime      157943 
   itsplit           1
 Momenta zeroed out, time            31599.80
- acceleration/energy drift too large   8.74413107052045     
-   22.8939916261625       split increased to            2  itime      158687 
-  itsplit           1
- acceleration/energy drift too large   7.44180099708887     
-   17.8145453806404       split increased to            2  itime      158874 
-  itsplit           1
- acceleration/energy drift too large   2.71772439363511     
-   11.9517986815598       split increased to            2  itime      158913 
-  itsplit           1
 Momenta zeroed out, time            31799.80
- acceleration/energy drift too large   6.80349814622729     
-   20.0105606453975       split increased to            2  itime      159293 
+ acceleration/energy drift too large   2.90195893039007     
+   15.7985762433428       split increased to            2  itime      159415 
   itsplit           1
- acceleration/energy drift too large   4.96282556666399     
-   11.7491061843282       split increased to            2  itime      159297 
+ acceleration/energy drift too large   2.84986107680678     
+   16.7816277168817       split increased to            2  itime      159473 
   itsplit           1
- acceleration/energy drift too large   5.27207822371558     
-   13.5691690675105       split increased to            2  itime      159881 
+ acceleration/energy drift too large   3.54624497180822     
+   11.1788871823576       split increased to            2  itime      159628 
   itsplit           1
 Velocities reset to random values, time            31999.80
 Momenta zeroed out, time            31999.80
 Momenta zeroed out, time            32199.80
- acceleration/energy drift too large   2.40581221193340     
-   14.0317167299965       split increased to            2  itime      161001 
-  itsplit           1
- acceleration/energy drift too large   4.58933102338023     
-   13.1520204396313       split increased to            2  itime      161009 
-  itsplit           1
- acceleration/energy drift too large   2.97911981622247     
-   16.1883287836960       split increased to            2  itime      161523 
-  itsplit           1
 Momenta zeroed out, time            32399.80
- acceleration/energy drift too large   5.61071203536622     
-   19.5293751340346       split increased to            2  itime      162525 
-  itsplit           1
 Momenta zeroed out, time            32599.80
-Momenta zeroed out, time            32799.80
- acceleration/energy drift too large   6.98145855828376     
-   25.5951926044067       split increased to            2  itime      164244 
+ acceleration/energy drift too large   5.39529575167816     
+   10.9693970729638       split increased to            2  itime      163371 
   itsplit           1
- acceleration/energy drift too large   4.08918214236362     
-   11.3963384766864       split increased to            2  itime      164457 
+ acceleration/energy drift too large   2.52051862038197     
+   21.5396780616647       split increased to            2  itime      163532 
   itsplit           1
- acceleration/energy drift too large   4.33913638071194     
-   10.4527818150477       split increased to            2  itime      164524 
+Momenta zeroed out, time            32799.80
+ acceleration/energy drift too large   3.76643330484415     
+   13.2669648928915       split increased to            2  itime      164780 
   itsplit           1
 Momenta zeroed out, time            32999.80
- acceleration/energy drift too large   5.03749585535698     
-   12.3714874406365       split increased to            2  itime      165480 
+ acceleration/energy drift too large   5.81321748453006     
+   19.8464943926628       split increased to            2  itime      165017 
   itsplit           1
- acceleration/energy drift too large   4.17266684521249     
-   16.4022491991233       split increased to            2  itime      165688 
+ acceleration/energy drift too large   7.74286338693452     
+   16.7719379361563       split increased to            2  itime      165401 
   itsplit           1
 Momenta zeroed out, time            33199.80
-Momenta zeroed out, time            33399.80
-Momenta zeroed out, time            33599.80
-Momenta zeroed out, time            33799.80
- acceleration/energy drift too large   3.89617202563205     
-   10.4261389799215       split increased to            2  itime      169820 
-  itsplit           1
- acceleration/energy drift too large   2.95020528844958     
-   11.6428416688962       split increased to            2  itime      169823 
-  itsplit           1
- acceleration/energy drift too large   3.75415462467295     
-   10.7302413092182       split increased to            2  itime      169830 
+ acceleration/energy drift too large   6.47065857137289     
+   20.0854999677322       split increased to            2  itime      166994 
   itsplit           1
- acceleration/energy drift too large   2.48485086161675     
-   11.5159803704197       split increased to            2  itime      169836 
+Momenta zeroed out, time            33399.80
+ acceleration/energy drift too large   13.8713379693250     
+   57.3249827657801       split increased to            2  itime      167195 
   itsplit           1
- acceleration/energy drift too large   3.11434593581765     
-   10.8224298324458       split increased to            2  itime      169919 
+ acceleration/energy drift too large   6.46289324049563     
+   10.6978178285772       split increased to            2  itime      167607 
   itsplit           1
- acceleration/energy drift too large   5.59210330859420     
-   20.3482105499832       split increased to            2  itime      169988 
+Momenta zeroed out, time            33599.80
+Momenta zeroed out, time            33799.80
+ acceleration/energy drift too large   4.64401593767681     
+   15.5250664697040       split increased to            2  itime      169951 
   itsplit           1
 Velocities reset to random values, time            33999.80
 Momenta zeroed out, time            33999.80
- acceleration/energy drift too large   10.0402294623380     
-   42.0212877546919       split increased to            2  itime      170023 
-  itsplit           1
- acceleration/energy drift too large   10.4708616613219     
-   33.0445866709963       split increased to            2  itime      170024 
-  itsplit           1
- acceleration/energy drift too large   4.77796806824949     
-   14.7084886809736       split increased to            2  itime      170295 
-  itsplit           1
- acceleration/energy drift too large   3.75169335669262     
-   25.1331017722210       split increased to            2  itime      170697 
-  itsplit           1
- acceleration/energy drift too large   6.98917148965941     
-   15.8779864050723       split increased to            2  itime      170820 
+ acceleration/energy drift too large   5.93718259277011     
+   13.6008628909953       split increased to            2  itime      170362 
   itsplit           1
 Momenta zeroed out, time            34199.80
- acceleration/energy drift too large   13.2477832964367     
-   74.9691149003028       split increased to            2  itime      171888 
-  itsplit           1
 Momenta zeroed out, time            34399.80
- acceleration/energy drift too large   6.15979574086464     
-   17.2593210625167       split increased to            2  itime      172462 
-  itsplit           1
- acceleration/energy drift too large   4.99311593206873     
-   15.7281323799815       split increased to            2  itime      172831 
+ acceleration/energy drift too large   3.52565972813310     
+   10.1519779191537       split increased to            2  itime      172203 
   itsplit           1
 Momenta zeroed out, time            34599.80
- acceleration/energy drift too large   4.45630557096082     
-   10.4552596783468       split increased to            2  itime      173418 
-  itsplit           1
- acceleration/energy drift too large   3.49043119228322     
-   17.6822520407059       split increased to            2  itime      173949 
-  itsplit           1
 Momenta zeroed out, time            34799.80
- acceleration/energy drift too large   2.57954149107727     
-   14.0375672437570       split increased to            2  itime      174128 
+ acceleration/energy drift too large   6.92822437120390     
+   17.7816966015466       split increased to            2  itime      174642 
+  itsplit           1
+ acceleration/energy drift too large   6.58431802164958     
+   11.2847421822183       split increased to            2  itime      174997 
   itsplit           1
 Momenta zeroed out, time            34999.80
- acceleration/energy drift too large   5.57593173224336     
-   19.9259295513308       split increased to            2  itime      175371 
+ acceleration/energy drift too large   2.78951583397877     
+   14.7688256956096       split increased to            2  itime      175446 
   itsplit           1
-Momenta zeroed out, time            35199.80
- acceleration/energy drift too large   6.38823001416182     
-   10.0552364962401       split increased to            2  itime      176956 
+ acceleration/energy drift too large   14.5589322031765     
+   73.5263962097684       split increased to            2  itime      175517 
   itsplit           1
+Momenta zeroed out, time            35199.80
 Momenta zeroed out, time            35399.80
- acceleration/energy drift too large   14.9262674183285     
-   64.6689495972415       split increased to            2  itime      177035 
-  itsplit           1
- acceleration/energy drift too large   3.35149583996883     
-   15.3197371984732       split increased to            4  itime      177035 
-  itsplit           2
-Momenta zeroed out, time            35599.80
- acceleration/energy drift too large   4.13364394356457     
-   10.4557294055004       split increased to            2  itime      178402 
+ acceleration/energy drift too large   7.53471962583623     
+   17.7353609024856       split increased to            2  itime      177119 
   itsplit           1
-Momenta zeroed out, time            35799.80
- acceleration/energy drift too large   4.84855054413377     
-   18.4960834952514       split increased to            2  itime      179076 
+ acceleration/energy drift too large   5.27715941219155     
+   17.5063950440070       split increased to            2  itime      177712 
   itsplit           1
- acceleration/energy drift too large   4.66282666091951     
-   14.4089766214300       split increased to            2  itime      179223 
+ acceleration/energy drift too large   5.02038890242143     
+   11.9922758127899       split increased to            2  itime      177913 
   itsplit           1
+Momenta zeroed out, time            35599.80
+Momenta zeroed out, time            35799.80
 Velocities reset to random values, time            35999.80
 Momenta zeroed out, time            35999.80
- acceleration/energy drift too large   2.35072399497722     
-   10.5701046005745       split increased to            2  itime      180636 
-  itsplit           1
- acceleration/energy drift too large   8.45914092837460     
-   30.7803934992473       split increased to            2  itime      180684 
-  itsplit           1
- acceleration/energy drift too large   4.39232557534460     
-   11.6829688135563       split increased to            2  itime      180870 
+ acceleration/energy drift too large   4.74581894194069     
+   12.9150084906951       split increased to            2  itime      180964 
   itsplit           1
 Momenta zeroed out, time            36199.80
+ acceleration/energy drift too large   3.85100727174125     
+   21.3157437793545       split increased to            2  itime      181663 
+  itsplit           1
 Momenta zeroed out, time            36399.80
 Momenta zeroed out, time            36599.80
- acceleration/energy drift too large   2.62813906795544     
-   13.5401778259992       split increased to            2  itime      183121 
+Momenta zeroed out, time            36799.80
+ acceleration/energy drift too large   4.58467315817382     
+   12.6870916210258       split increased to            2  itime      184079 
   itsplit           1
- acceleration/energy drift too large   7.66566532435760     
-   25.9722597258777       split increased to            2  itime      183468 
+ acceleration/energy drift too large   9.55908677662372     
+   47.2518973623192       split increased to            2  itime      184715 
   itsplit           1
- acceleration/energy drift too large   3.44564988839299     
-   20.8883511396610       split increased to            2  itime      183873 
+ acceleration/energy drift too large   6.20075318225440     
+   13.1937789454250       split increased to            2  itime      184921 
   itsplit           1
-Momenta zeroed out, time            36799.80
 Momenta zeroed out, time            36999.80
 Momenta zeroed out, time            37199.80
- acceleration/energy drift too large   13.2674931042119     
-   99.5418568849294       split increased to            2  itime      186824 
+ acceleration/energy drift too large   12.7145546022802     
+   75.8561262050862       split increased to            2  itime      186302 
+  itsplit           1
+ acceleration/energy drift too large   4.53276104647836     
+   12.2349165453080       split increased to            2  itime      186940 
   itsplit           1
- acceleration/energy drift too large   3.52768156936913     
-   18.8027703815242       split increased to            2  itime      186971 
+ acceleration/energy drift too large   6.44714111938374     
+   21.4082943771614       split increased to            2  itime      186970 
   itsplit           1
 Momenta zeroed out, time            37399.80
 Momenta zeroed out, time            37599.80
- acceleration/energy drift too large   4.41486492651918     
-   12.3486803334762       split increased to            2  itime      188511 
+ acceleration/energy drift too large   4.69989410296719     
+   13.8407654393709       split increased to            2  itime      188305 
   itsplit           1
- acceleration/energy drift too large   4.68920935257802     
-   12.8547637562399       split increased to            2  itime      188566 
+ acceleration/energy drift too large   3.17354517105502     
+   10.4413801777686       split increased to            2  itime      188471 
+  itsplit           1
+ acceleration/energy drift too large   4.38909158318903     
+   19.3389160820291       split increased to            2  itime      188820 
   itsplit           1
 Momenta zeroed out, time            37799.80
 Velocities reset to random values, time            37999.80
 Momenta zeroed out, time            37999.80
- acceleration/energy drift too large   3.95382482626379     
-   14.1402289935157       split increased to            2  itime      190028 
-  itsplit           1
- acceleration/energy drift too large   6.01413009555621     
-   13.4775244598632       split increased to            2  itime      190294 
-  itsplit           1
- acceleration/energy drift too large   5.83262574315085     
-   19.6463538292876       split increased to            2  itime      190673 
+ acceleration/energy drift too large   11.8208901999964     
+   81.7922504578469       split increased to            2  itime      190010 
   itsplit           1
+ acceleration/energy drift too large   2.30774754204369     
+   13.4897133921116       split increased to            4  itime      190010 
+  itsplit           2
 Momenta zeroed out, time            38199.80
- acceleration/energy drift too large   3.61506957854698     
-   15.7870464519082       split increased to            2  itime      191443 
-  itsplit           1
 Momenta zeroed out, time            38399.80
+ acceleration/energy drift too large   7.54902108794244     
+   10.0515241287632       split increased to            2  itime      192294 
+  itsplit           1
 Momenta zeroed out, time            38599.80
- acceleration/energy drift too large   2.03034707923322     
-   13.6633638100911       split increased to            2  itime      193164 
+ acceleration/energy drift too large   9.84764238625759     
+   35.9611628348330       split increased to            2  itime      193854 
   itsplit           1
- acceleration/energy drift too large   3.87861889456298     
-   10.4342133598012       split increased to            2  itime      193318 
+ acceleration/energy drift too large   5.37444386595967     
+   11.2109216758329       split increased to            2  itime      193940 
   itsplit           1
 Momenta zeroed out, time            38799.80
- acceleration/energy drift too large   4.45379317938813     
-   10.4532381492163       split increased to            2  itime      194323 
-  itsplit           1
- acceleration/energy drift too large   3.40427644147894     
-   18.7652679275688       split increased to            2  itime      194868 
+ acceleration/energy drift too large   5.79880125744075     
+   12.5638638254577       split increased to            2  itime      194165 
   itsplit           1
 Momenta zeroed out, time            38999.80
- acceleration/energy drift too large   4.15753472194659     
-   10.7575408487431       split increased to            2  itime      195395 
+ acceleration/energy drift too large   5.03234760225730     
+   13.0384568624587       split increased to            2  itime      195440 
+  itsplit           1
+ acceleration/energy drift too large   5.10822338910014     
+   19.9443648133414       split increased to            2  itime      195511 
+  itsplit           1
+ acceleration/energy drift too large   4.83130018846836     
+   14.1151237780598       split increased to            2  itime      195692 
   itsplit           1
 Momenta zeroed out, time            39199.80
-Momenta zeroed out, time            39399.80
- acceleration/energy drift too large   7.35363940543405     
-   18.9811053505915       split increased to            2  itime      197251 
+ acceleration/energy drift too large   8.63298774983931     
+   35.6624167354309       split increased to            2  itime      196001 
   itsplit           1
- acceleration/energy drift too large   3.22284105838326     
-   14.0080425526043       split increased to            2  itime      197536 
+ acceleration/energy drift too large   8.61657394577672     
+   17.3229902529459       split increased to            2  itime      196125 
   itsplit           1
-Momenta zeroed out, time            39599.80
- acceleration/energy drift too large   4.52198397716031     
-   12.9966713532729       split increased to            2  itime      198817 
+ acceleration/energy drift too large   4.80779175231044     
+   11.6304454354232       split increased to            2  itime      196327 
   itsplit           1
-Momenta zeroed out, time            39799.80
- acceleration/energy drift too large   3.09353475936449     
-   11.7591892213186       split increased to            2  itime      199124 
+ acceleration/energy drift too large   4.94749451594213     
+   26.1287383672853       split increased to            2  itime      196996 
+  itsplit           1
+Momenta zeroed out, time            39399.80
+ acceleration/energy drift too large   6.30767594079296     
+   46.3034784244091       split increased to            2  itime      197031 
   itsplit           1
- acceleration/energy drift too large   5.21680421240051     
-   12.8940913756902       split increased to            2  itime      199253 
+ acceleration/energy drift too large   5.36895371462064     
+   29.1368958096840       split increased to            2  itime      197784 
   itsplit           1
+Momenta zeroed out, time            39599.80
+Momenta zeroed out, time            39799.80
 Velocities reset to random values, time            39999.80
 Momenta zeroed out, time            39999.80
- acceleration/energy drift too large   5.77744927580992     
-   14.8111612040507       split increased to            2  itime      200962 
-  itsplit           1
-Momenta zeroed out, time            40199.80
- acceleration/energy drift too large   4.54397718532493     
-   12.5865388617526       split increased to            2  itime      201327 
+ acceleration/energy drift too large   3.55506172102696     
+   10.5660393849863       split increased to            2  itime      200569 
   itsplit           1
- acceleration/energy drift too large   5.73008517881994     
-   14.7777983687120       split increased to            2  itime      201599 
-  itsplit           1
- acceleration/energy drift too large   3.87293759158580     
-   13.7978581019716       split increased to            2  itime      201830 
+ acceleration/energy drift too large   4.50710410821220     
+   17.3323219965339       split increased to            2  itime      200643 
   itsplit           1
+Momenta zeroed out, time            40199.80
 Momenta zeroed out, time            40399.80
- acceleration/energy drift too large   2.82725309957049     
-   21.0712917898987       split increased to            2  itime      202275 
-  itsplit           1
- acceleration/energy drift too large   5.42516034436341     
-   12.7404538099233       split increased to            2  itime      202384 
-  itsplit           1
- acceleration/energy drift too large   3.87565858745178     
-   10.2732002962831       split increased to            2  itime      202581 
+ acceleration/energy drift too large   3.07664758423786     
+   10.7583750950724       split increased to            2  itime      202124 
   itsplit           1
- acceleration/energy drift too large   4.41519650868491     
-   15.1973663173834       split increased to            2  itime      202629 
+ acceleration/energy drift too large   4.38740210984320     
+   10.2342740991512       split increased to            2  itime      202599 
   itsplit           1
 Momenta zeroed out, time            40599.80
- acceleration/energy drift too large   6.78822790401476     
-   16.5516281462355       split increased to            2  itime      203671 
-  itsplit           1
 Momenta zeroed out, time            40799.80
 Momenta zeroed out, time            40999.80
 Momenta zeroed out, time            41199.80
-Momenta zeroed out, time            41399.80
- acceleration/energy drift too large   6.98570015721984     
-   45.4271872709777       split increased to            2  itime      207053 
+ acceleration/energy drift too large   5.77011965661746     
+   13.8180049000654       split increased to            2  itime      206194 
   itsplit           1
- acceleration/energy drift too large   4.60261625857329     
-   18.8250836395090       split increased to            2  itime      207260 
+ acceleration/energy drift too large   6.95938223355267     
+   11.3278864405875       split increased to            2  itime      206210 
   itsplit           1
-Momenta zeroed out, time            41599.80
- acceleration/energy drift too large   7.06256284678851     
-   14.6736409026752       split increased to            2  itime      208264 
+ acceleration/energy drift too large   5.05066837183069     
+   16.8499648141776       split increased to            2  itime      206223 
   itsplit           1
- acceleration/energy drift too large   10.2755367254028     
-   49.0772683559892       split increased to            2  itime      208796 
+ acceleration/energy drift too large   8.06566641654217     
+   30.7812090015156       split increased to            2  itime      206890 
   itsplit           1
+Momenta zeroed out, time            41399.80
+Momenta zeroed out, time            41599.80
 Momenta zeroed out, time            41799.80
- acceleration/energy drift too large   2.11122943258902     
-   11.4406245290294       split increased to            2  itime      209392 
-  itsplit           1
- acceleration/energy drift too large   4.70485465907920     
-   14.6486105718456       split increased to            2  itime      209642 
-  itsplit           1
 Velocities reset to random values, time            41999.80
 Momenta zeroed out, time            41999.80
- acceleration/energy drift too large   4.94161088115044     
-   25.7361670772527       split increased to            2  itime      210630 
+ acceleration/energy drift too large   5.91977775252910     
+   10.6803343835512       split increased to            2  itime      210632 
   itsplit           1
 Momenta zeroed out, time            42199.80
- acceleration/energy drift too large   3.81836427729904     
-   11.0677142504872       split increased to            2  itime      211126 
-  itsplit           1
- acceleration/energy drift too large   3.02841930378370     
-   12.4572235074635       split increased to            2  itime      211150 
+ acceleration/energy drift too large   5.07349986651407     
+   13.8952569851725       split increased to            2  itime      211285 
   itsplit           1
-Momenta zeroed out, time            42399.80
- acceleration/energy drift too large   1.62535874807102     
-   12.4800046490957       split increased to            2  itime      212095 
-  itsplit           1
- acceleration/energy drift too large   4.00716774118851     
-   11.5617028838987       split increased to            2  itime      212144 
+ acceleration/energy drift too large   3.35458955289683     
+   11.0467391194108       split increased to            2  itime      211286 
   itsplit           1
- acceleration/energy drift too large   3.71389412924182     
-   16.0630051413865       split increased to            2  itime      212263 
-  itsplit           1
- acceleration/energy drift too large   5.82753304103136     
-   12.6700439168110       split increased to            2  itime      212818 
+ acceleration/energy drift too large   4.87739585496630     
+   14.8674173213997       split increased to            2  itime      211908 
   itsplit           1
+Momenta zeroed out, time            42399.80
 Momenta zeroed out, time            42599.80
 Momenta zeroed out, time            42799.80
- acceleration/energy drift too large   11.4635645183481     
-   54.9980944764444       split increased to            2  itime      214562 
-  itsplit           1
 Momenta zeroed out, time            42999.80
- acceleration/energy drift too large   12.6123615438448     
-   73.7449666603699       split increased to            2  itime      215484 
-  itsplit           1
- acceleration/energy drift too large   2.80481654884128     
-   18.9518250989327       split increased to            4  itime      215484 
-  itsplit           2
 Momenta zeroed out, time            43199.80
- acceleration/energy drift too large   5.60564465781678     
-   17.9312202233087       split increased to            2  itime      216323 
+ acceleration/energy drift too large   11.1362200845122     
+   59.3503388944192       split increased to            2  itime      216362 
   itsplit           1
 Momenta zeroed out, time            43399.80
 Momenta zeroed out, time            43599.80
- acceleration/energy drift too large   3.52816648142347     
-   14.4187020998276       split increased to            2  itime      218499 
+ acceleration/energy drift too large   5.67597689534888     
+   12.4126196283752       split increased to            2  itime      218138 
   itsplit           1
- acceleration/energy drift too large   2.67775133696028     
-   12.8220561468611       split increased to            2  itime      218538 
+ acceleration/energy drift too large   4.80176969713857     
+   11.1180463562717       split increased to            2  itime      218897 
   itsplit           1
 Momenta zeroed out, time            43799.80
+ acceleration/energy drift too large   2.84303111308912     
+   12.9834308238606       split increased to            2  itime      219103 
+  itsplit           1
+ acceleration/energy drift too large   4.70453704616680     
+   20.2874981044508       split increased to            2  itime      219309 
+  itsplit           1
 Velocities reset to random values, time            43999.80
 Momenta zeroed out, time            43999.80
- acceleration/energy drift too large   2.12260302750541     
-   10.7548427447635       split increased to            2  itime      220457 
-  itsplit           1
- acceleration/energy drift too large   4.28963650971884     
-   17.6339201830731       split increased to            2  itime      220524 
+ acceleration/energy drift too large   3.02496080441572     
+   14.0995859004277       split increased to            2  itime      220689 
   itsplit           1
 Momenta zeroed out, time            44199.80
- acceleration/energy drift too large   8.33726218377830     
-   24.5769490910593       split increased to            2  itime      221595 
-  itsplit           1
- acceleration/energy drift too large   4.38033665430760     
-   11.4773277598411       split increased to            2  itime      221620 
-  itsplit           1
- acceleration/energy drift too large   5.51125963841461     
-   34.1519297935428       split increased to            2  itime      221663 
+ acceleration/energy drift too large   12.4727649391679     
+   95.5743207079583       split increased to            2  itime      221974 
   itsplit           1
 Momenta zeroed out, time            44399.80
- acceleration/energy drift too large   2.33477527497652     
-   10.0855090783236       split increased to            2  itime      222518 
+ acceleration/energy drift too large   6.61388711789682     
+   19.6558400671167       split increased to            2  itime      222379 
   itsplit           1
-Momenta zeroed out, time            44599.80
- acceleration/energy drift too large   5.63976384115883     
-   25.1747060527838       split increased to            2  itime      223376 
-  itsplit           1
- acceleration/energy drift too large   5.49251828184876     
-   28.7030658437385       split increased to            2  itime      223567 
-  itsplit           1
- acceleration/energy drift too large   4.59250598807639     
-   15.3286169581714       split increased to            2  itime      223568 
+ acceleration/energy drift too large   2.50003576176006     
+   13.0925987344367       split increased to            2  itime      222800 
   itsplit           1
+Momenta zeroed out, time            44599.80
 Momenta zeroed out, time            44799.80
- acceleration/energy drift too large   5.26743435022476     
-   24.0182317753667       split increased to            2  itime      224773 
-  itsplit           1
- acceleration/energy drift too large   6.18815222628444     
-   34.6044423109445       split increased to            2  itime      224811 
+ acceleration/energy drift too large   3.77438479391928     
+   14.8841258269838       split increased to            2  itime      224930 
   itsplit           1
 Momenta zeroed out, time            44999.80
- acceleration/energy drift too large   8.92433363420398     
-   22.6417441441444       split increased to            2  itime      225006 
-  itsplit           1
- acceleration/energy drift too large   3.30807071162330     
-   10.8103511030623       split increased to            2  itime      225020 
+ acceleration/energy drift too large   7.68238904907449     
+   21.5143436340472       split increased to            2  itime      225458 
   itsplit           1
- acceleration/energy drift too large   4.65861224866782     
-   26.1933098218783       split increased to            2  itime      225040 
+ acceleration/energy drift too large   4.68886226629531     
+   13.3648833601620       split increased to            2  itime      225759 
   itsplit           1
- acceleration/energy drift too large   4.42422184932988     
-   12.3947278182189       split increased to            2  itime      225046 
-  itsplit           1
- acceleration/energy drift too large   4.08074560178180     
-   12.1179452854629       split increased to            2  itime      225048 
+ acceleration/energy drift too large   4.96971291931503     
+   13.7287910691061       split increased to            2  itime      225825 
   itsplit           1
 Momenta zeroed out, time            45199.80
- acceleration/energy drift too large   4.35063054334019     
-   21.2647376706443       split increased to            2  itime      226149 
+ acceleration/energy drift too large   5.02143494062215     
+   12.7874728064492       split increased to            2  itime      226325 
   itsplit           1
 Momenta zeroed out, time            45399.80
-Momenta zeroed out, time            45599.80
- acceleration/energy drift too large   5.55710112587354     
-   30.2314450184845       split increased to            2  itime      228443 
+ acceleration/energy drift too large   2.66137108437115     
+   17.7738562355306       split increased to            2  itime      227058 
   itsplit           1
- acceleration/energy drift too large   2.83798143605143     
-   17.3337607305101       split increased to            2  itime      228607 
+ acceleration/energy drift too large   5.81958107465269     
+   21.7470537755722       split increased to            2  itime      227269 
   itsplit           1
-Momenta zeroed out, time            45799.80
- acceleration/energy drift too large   7.08605567189080     
-   24.4921119766126       split increased to            2  itime      229005 
+ acceleration/energy drift too large   2.91055647044333     
+   11.4514077425872       split increased to            2  itime      227270 
   itsplit           1
- acceleration/energy drift too large   12.2591912976898     
-   59.0939205576400       split increased to            2  itime      229229 
+ acceleration/energy drift too large   7.55068622000672     
+   40.0053221922647       split increased to            2  itime      227533 
   itsplit           1
- acceleration/energy drift too large   3.42205078645382     
-   20.3738712621565       split increased to            4  itime      229229 
+ acceleration/energy drift too large   2.84863261047385     
+   17.4901238066548       split increased to            2  itime      227780 
   itsplit           1
- acceleration/energy drift too large   4.86201360969163     
-   24.3662126125736       split increased to            2  itime      229435 
+Momenta zeroed out, time            45599.80
+ acceleration/energy drift too large   4.48308705932839     
+   29.7433542831064       split increased to            2  itime      228719 
   itsplit           1
- acceleration/energy drift too large   6.99829530845069     
-   22.9456615813299       split increased to            2  itime      229688 
+ acceleration/energy drift too large   5.37756693747883     
+   19.9860236912424       split increased to            2  itime      228962 
   itsplit           1
+Momenta zeroed out, time            45799.80
 Velocities reset to random values, time            45999.80
 Momenta zeroed out, time            45999.80
- acceleration/energy drift too large   10.6606858151793     
-   46.9057357358586       split increased to            2  itime      230107 
-  itsplit           1
- acceleration/energy drift too large   6.02044223157317     
-   14.9280134315690       split increased to            2  itime      230490 
-  itsplit           1
- acceleration/energy drift too large   3.32179682582433     
-   19.7416174936569       split increased to            2  itime      230613 
-  itsplit           1
- acceleration/energy drift too large   6.07002746806527     
-   15.2805738693541       split increased to            2  itime      230638 
-  itsplit           1
- acceleration/energy drift too large   4.17265434533363     
-   10.4855785108106       split increased to            2  itime      230845 
-  itsplit           1
 Momenta zeroed out, time            46199.80
- acceleration/energy drift too large   5.70208618619261     
-   13.5040973222639       split increased to            2  itime      231456 
+ acceleration/energy drift too large   3.35648939484031     
+   10.7366050972861       split increased to            2  itime      231153 
   itsplit           1
- acceleration/energy drift too large   2.66801821763195     
-   16.7396468675657       split increased to            2  itime      231694 
+ acceleration/energy drift too large   3.21700039979248     
+   10.9346665900812       split increased to            2  itime      231602 
   itsplit           1
- acceleration/energy drift too large   7.42921989606812     
-   75.5639208724450       split increased to            2  itime      231929 
-  itsplit           1
- acceleration/energy drift too large   1.85832445518598     
-   18.9301405698044       split increased to            4  itime      231929 
-  itsplit           2
 Momenta zeroed out, time            46399.80
- acceleration/energy drift too large   3.07900797185544     
-   20.4805482625694       split increased to            2  itime      232292 
-  itsplit           1
- acceleration/energy drift too large   5.25955141675287     
-   31.2004702129686       split increased to            2  itime      232357 
-  itsplit           1
- acceleration/energy drift too large   5.90464219292051     
-   41.0201805910570       split increased to            2  itime      232662 
+ acceleration/energy drift too large   2.53839882409238     
+   12.3535167823799       split increased to            2  itime      232558 
   itsplit           1
- acceleration/energy drift too large   4.71138675804391     
-   14.2369487674707       split increased to            2  itime      232873 
+ acceleration/energy drift too large   3.99960137210021     
+   10.2276879842827       split increased to            2  itime      232920 
   itsplit           1
 Momenta zeroed out, time            46599.80
- acceleration/energy drift too large   3.31993286453623     
-   10.5504023756021       split increased to            2  itime      233101 
+ acceleration/energy drift too large   2.86722675001342     
+   15.3555609172311       split increased to            2  itime      233563 
   itsplit           1
- acceleration/energy drift too large   5.06887489426157     
-   26.2814260161145       split increased to            2  itime      233312 
-  itsplit           1
- acceleration/energy drift too large   5.46862832745038     
-   20.9997848773599       split increased to            2  itime      233341 
-  itsplit           1
- acceleration/energy drift too large   1.84159611055002     
-   16.1931422204995       split increased to            2  itime      233342 
+ acceleration/energy drift too large   5.09320393061311     
+   10.5520567616978       split increased to            2  itime      233629 
   itsplit           1
 Momenta zeroed out, time            46799.80
- acceleration/energy drift too large   10.4775490807628     
-   45.4292034844031       split increased to            2  itime      234979 
+ acceleration/energy drift too large   6.20537169073892     
+   15.2014995289837       split increased to            2  itime      234035 
+  itsplit           1
+ acceleration/energy drift too large  0.939092321892666     
+   10.9115674275400       split increased to            2  itime      234605 
   itsplit           1
 Momenta zeroed out, time            46999.80
 Momenta zeroed out, time            47199.80
- acceleration/energy drift too large   3.42791032841399     
-   12.2334443086812       split increased to            2  itime      236701 
-  itsplit           1
- acceleration/energy drift too large   3.73880055075822     
-   11.0545875105909       split increased to            2  itime      236708 
-  itsplit           1
 Momenta zeroed out, time            47399.80
 Momenta zeroed out, time            47599.80
- acceleration/energy drift too large   1.64330454909506     
-   10.9303306559562       split increased to            2  itime      238078 
-  itsplit           1
 Momenta zeroed out, time            47799.80
 Velocities reset to random values, time            47999.80
 Momenta zeroed out, time            47999.80
-Momenta zeroed out, time            48199.80
- acceleration/energy drift too large   10.4789531362239     
-   55.0248145625804       split increased to            2  itime      241014 
-  itsplit           1
- acceleration/energy drift too large   5.66912023489133     
-   16.1570547076177       split increased to            2  itime      241335 
+ acceleration/energy drift too large   4.18147722685315     
+   11.8883701595109       split increased to            2  itime      240081 
   itsplit           1
- acceleration/energy drift too large   15.8677441438605     
-   109.977524998429       split increased to            2  itime      241624 
-  itsplit           1
- acceleration/energy drift too large   2.40215708553689     
-   10.0281602991521       split increased to            4  itime      241624 
+Momenta zeroed out, time            48199.80
+ acceleration/energy drift too large   9.55449663522326     
+   44.5591358344668       split increased to            2  itime      241096 
   itsplit           1
 Momenta zeroed out, time            48399.80
- acceleration/energy drift too large   3.82211455542835     
-   11.3831791905937       split increased to            2  itime      242204 
-  itsplit           1
 Momenta zeroed out, time            48599.80
- acceleration/energy drift too large   2.21359538017811     
-   11.4405367949377       split increased to            2  itime      243105 
+ acceleration/energy drift too large   2.71642932871711     
+   12.7623093873288       split increased to            2  itime      243894 
   itsplit           1
 Momenta zeroed out, time            48799.80
- acceleration/energy drift too large   5.92732748684728     
-   31.8990555520757       split increased to            2  itime      244170 
-  itsplit           1
- acceleration/energy drift too large   4.10026812852775     
-   13.3131653065026       split increased to            2  itime      244298 
-  itsplit           1
 Momenta zeroed out, time            48999.80
- acceleration/energy drift too large   3.27789557629669     
-   15.0168445284889       split increased to            2  itime      245083 
+Momenta zeroed out, time            49199.80
+ acceleration/energy drift too large   5.20052465475368     
+   12.0467450114199       split increased to            2  itime      246486 
   itsplit           1
- acceleration/energy drift too large   11.3782788649129     
-   57.3406486644491       split increased to            2  itime      245173 
+ acceleration/energy drift too large   5.40907394987294     
+   23.5472869681471       split increased to            2  itime      246514 
   itsplit           1
-Momenta zeroed out, time            49199.80
 Momenta zeroed out, time            49399.80
- acceleration/energy drift too large   2.35737720958305     
-   13.2418542532671       split increased to            2  itime      247504 
+ acceleration/energy drift too large   4.40848584179436     
+   11.4901949300884       split increased to            2  itime      247075 
   itsplit           1
-Momenta zeroed out, time            49599.80
- acceleration/energy drift too large   3.86111619859431     
-   10.6741593039338       split increased to            2  itime      248403 
+ acceleration/energy drift too large   4.43868398987424     
+   10.3509711399897       split increased to            2  itime      247118 
   itsplit           1
- acceleration/energy drift too large   3.40586377803032     
-   23.0601520495201       split increased to            2  itime      248781 
+ acceleration/energy drift too large   6.05503913719346     
+   25.5699606385034       split increased to            2  itime      247132 
   itsplit           1
+ acceleration/energy drift too large   3.52768166348190     
+   10.3811638030188       split increased to            2  itime      247247 
+  itsplit           1
+Momenta zeroed out, time            49599.80
 Momenta zeroed out, time            49799.80
- acceleration/energy drift too large   7.44630066031478     
-   22.4000594920229       split increased to            2  itime      249243 
+ acceleration/energy drift too large   4.24264102811292     
+   17.1311860498521       split increased to            2  itime      249201 
   itsplit           1
 Velocities reset to random values, time            49999.80
 Momenta zeroed out, time            49999.80
-Momenta zeroed out, time            50199.80
- acceleration/energy drift too large   5.71338969836197     
-   14.2814985374441       split increased to            2  itime      251603 
+ acceleration/energy drift too large   3.16374254201391     
+   11.5082300368797       split increased to            2  itime      250509 
   itsplit           1
- acceleration/energy drift too large   5.96440731398362     
-   24.2851805333077       split increased to            2  itime      251883 
+Momenta zeroed out, time            50199.80
+ acceleration/energy drift too large   4.22181722938707     
+   17.6137189074580       split increased to            2  itime      251430 
   itsplit           1
 Momenta zeroed out, time            50399.80
- acceleration/energy drift too large   6.02372178037054     
-   15.2160568308476       split increased to            2  itime      252335 
+ acceleration/energy drift too large   8.07053638463422     
+   24.8307036937632       split increased to            2  itime      252238 
   itsplit           1
- acceleration/energy drift too large   4.80528528516733     
-   13.6973026005084       split increased to            2  itime      252568 
-  itsplit           1
- acceleration/energy drift too large   5.93478620545848     
-   18.1761148879436       split increased to            2  itime      252633 
-  itsplit           1
- acceleration/energy drift too large   6.90021822282916     
-   13.3580733051297       split increased to            2  itime      252878 
-  itsplit           1
- acceleration/energy drift too large   3.91428120363599     
-   11.8243390851782       split increased to            2  itime      252918 
+ acceleration/energy drift too large   7.41083168607324     
+   27.3874031878152       split increased to            2  itime      252665 
   itsplit           1
 Momenta zeroed out, time            50599.80
- acceleration/energy drift too large   3.61146785192376     
-   16.8281376278468       split increased to            2  itime      253062 
-  itsplit           1
- acceleration/energy drift too large   7.05753120906062     
-   23.0960000050655       split increased to            2  itime      253684 
+ acceleration/energy drift too large   6.26961252902648     
+   14.8005651746988       split increased to            2  itime      253341 
   itsplit           1
 Momenta zeroed out, time            50799.80
- acceleration/energy drift too large   3.00753956264425     
-   14.2005192383849       split increased to            2  itime      254336 
+ acceleration/energy drift too large   12.3728339106402     
+   63.7294303283626       split increased to            2  itime      254197 
   itsplit           1
- acceleration/energy drift too large   12.6104153179559     
-   64.7212141024388       split increased to            2  itime      254512 
+ acceleration/energy drift too large   5.12273796585534     
+   11.5771173412502       split increased to            2  itime      254448 
   itsplit           1
 Momenta zeroed out, time            50999.80
- acceleration/energy drift too large   5.96687539525915     
-   11.0380824144042       split increased to            2  itime      255057 
-  itsplit           1
- acceleration/energy drift too large   8.32505111949792     
-   32.8590593364202       split increased to            2  itime      255445 
-  itsplit           1
- acceleration/energy drift too large   2.45268737887825     
-   11.1439320102082       split increased to            2  itime      255446 
-  itsplit           1
- acceleration/energy drift too large   1.88791124317352     
-   10.0733536364507       split increased to            2  itime      255941 
+ acceleration/energy drift too large   4.35926321363899     
+   16.7215203361000       split increased to            2  itime      255030 
   itsplit           1
 Momenta zeroed out, time            51199.80
- acceleration/energy drift too large   8.11154131658149     
-   22.4195237844822       split increased to            2  itime      256330 
-  itsplit           1
- acceleration/energy drift too large   3.63969929632784     
-   15.1245460627641       split increased to            2  itime      256993 
-  itsplit           1
 Momenta zeroed out, time            51399.80
- acceleration/energy drift too large   3.13044935194598     
-   18.1061249016026       split increased to            2  itime      257236 
-  itsplit           1
- acceleration/energy drift too large   4.35347574320654     
-   10.9303370135698       split increased to            2  itime      257901 
+ acceleration/energy drift too large   2.75755363078980     
+   14.3564399331457       split increased to            2  itime      257495 
   itsplit           1
 Momenta zeroed out, time            51599.80
- acceleration/energy drift too large   6.42266505437136     
-   35.9181757947396       split increased to            2  itime      258391 
-  itsplit           1
 Momenta zeroed out, time            51799.80
- acceleration/energy drift too large   5.70291721674367     
-   23.3098308976155       split increased to            2  itime      259022 
-  itsplit           1
- acceleration/energy drift too large   6.27323303533732     
-   17.1209563536302       split increased to            2  itime      259280 
-  itsplit           1
- acceleration/energy drift too large   4.93842247346456     
-   15.4716967179453       split increased to            2  itime      259667 
+ acceleration/energy drift too large   2.11161288593898     
+   14.5147037932519       split increased to            2  itime      259907 
   itsplit           1
 Velocities reset to random values, time            51999.80
 Momenta zeroed out, time            51999.80
-Momenta zeroed out, time            52199.80
- acceleration/energy drift too large   5.44099327429269     
-   26.1418360995385       split increased to            2  itime      261102 
+ acceleration/energy drift too large   6.98415474398088     
+   10.8338840886090       split increased to            2  itime      260242 
   itsplit           1
+ acceleration/energy drift too large   6.49480379873156     
+   19.6417356417658       split increased to            2  itime      260837 
+  itsplit           1
+Momenta zeroed out, time            52199.80
 Momenta zeroed out, time            52399.80
 Momenta zeroed out, time            52599.80
- acceleration/energy drift too large   6.44301236722537     
-   37.9448123964407       split increased to            2  itime      263010 
+ acceleration/energy drift too large   4.79280127697938     
+   16.9644556035934       split increased to            2  itime      263691 
   itsplit           1
- acceleration/energy drift too large   10.2380876193696     
-   136.870010001360       split increased to            2  itime      263477 
-  itsplit           1
- acceleration/energy drift too large   1.78924172527937     
-   17.2295860734945       split increased to            4  itime      263477 
+ acceleration/energy drift too large   9.76271541850407     
+   31.7520656989371       split increased to            2  itime      263908 
   itsplit           1
 Momenta zeroed out, time            52799.80
- acceleration/energy drift too large   3.69710947859133     
-   18.0383277910899       split increased to            2  itime      264638 
-  itsplit           1
- acceleration/energy drift too large   2.86429157927503     
-   11.0557817977288       split increased to            2  itime      264811 
+ acceleration/energy drift too large   3.42020606374010     
+   10.3668085519406       split increased to            2  itime      264334 
   itsplit           1
 Momenta zeroed out, time            52999.80
- acceleration/energy drift too large   6.07160913547906     
-   22.0608495329428       split increased to            2  itime      265944 
+ acceleration/energy drift too large   9.42917765051797     
+   35.1647269599173       split increased to            2  itime      265856 
+  itsplit           1
+ acceleration/energy drift too large   4.59124232699468     
+   28.1598888550167       split increased to            4  itime      265856 
   itsplit           1
 Momenta zeroed out, time            53199.80
- acceleration/energy drift too large   4.31014695414316     
-   10.1565335423596       split increased to            2  itime      266183 
+ acceleration/energy drift too large   6.29083917985169     
+   16.5784910904203       split increased to            2  itime      266489 
+  itsplit           1
+ acceleration/energy drift too large   3.87278212932402     
+   20.4248400328528       split increased to            2  itime      266620 
+  itsplit           1
+ acceleration/energy drift too large   4.41254133699029     
+   15.3506184868677       split increased to            2  itime      266690 
   itsplit           1
 Momenta zeroed out, time            53399.80
- acceleration/energy drift too large   7.54064369699693     
-   20.5334283098092       split increased to            2  itime      267098 
+ acceleration/energy drift too large   9.43475773623341     
+   25.8187254093263       split increased to            2  itime      267164 
   itsplit           1
 Momenta zeroed out, time            53599.80
- acceleration/energy drift too large   3.36151304660215     
-   11.2640045439451       split increased to            2  itime      268696 
-  itsplit           1
-Momenta zeroed out, time            53799.80
- acceleration/energy drift too large   3.53176912935525     
-   23.4693586603492       split increased to            2  itime      269007 
+ acceleration/energy drift too large   6.31934428805772     
+   18.9047254691859       split increased to            2  itime      268671 
   itsplit           1
- acceleration/energy drift too large   7.98845167645600     
-   30.8003694191787       split increased to            2  itime      269100 
+ acceleration/energy drift too large   5.17541530776042     
+   10.9624251324015       split increased to            2  itime      268825 
   itsplit           1
- acceleration/energy drift too large   6.60831118263704     
-   12.4164804739888       split increased to            2  itime      269318 
+Momenta zeroed out, time            53799.80
+ acceleration/energy drift too large   5.86724609817459     
+   17.7833924659777       split increased to            2  itime      269101 
   itsplit           1
 Velocities reset to random values, time            53999.80
 Momenta zeroed out, time            53999.80
- acceleration/energy drift too large   4.48330446571384     
-   12.7075051924651       split increased to            2  itime      270001 
+ acceleration/energy drift too large   8.75952949905171     
+   22.8516031793920       split increased to            2  itime      270538 
   itsplit           1
- acceleration/energy drift too large   4.81033012791389     
-   12.4432388360147       split increased to            2  itime      270310 
-  itsplit           1
- acceleration/energy drift too large   4.34383498170938     
-   11.8063364544069       split increased to            2  itime      270724 
+ acceleration/energy drift too large   8.01637118118181     
+   14.6185745559671       split increased to            2  itime      270590 
   itsplit           1
 Momenta zeroed out, time            54199.80
- acceleration/energy drift too large   6.67534666362255     
-   11.4148234473991       split increased to            2  itime      271009 
-  itsplit           1
-Momenta zeroed out, time            54399.80
- acceleration/energy drift too large   3.11976088323625     
-   12.9952573408573       split increased to            2  itime      272408 
+ acceleration/energy drift too large   5.18678096611225     
+   10.4967353449298       split increased to            2  itime      271080 
   itsplit           1
- acceleration/energy drift too large   8.32790992894452     
-   33.8481266627498       split increased to            2  itime      272653 
+ acceleration/energy drift too large   5.53088182294247     
+   18.5542971540780       split increased to            2  itime      271903 
   itsplit           1
- acceleration/energy drift too large   4.10227902936652     
-   11.7793461555300       split increased to            2  itime      272748 
+ acceleration/energy drift too large   6.52000509089056     
+   15.3442828266490       split increased to            2  itime      271940 
   itsplit           1
- acceleration/energy drift too large   4.12699670617168     
-   13.7428864091224       split increased to            2  itime      272749 
+ acceleration/energy drift too large   3.88961670894018     
+   19.4667017184141       split increased to            2  itime      271960 
   itsplit           1
- acceleration/energy drift too large   4.89195843169002     
-   19.4326995642513       split increased to            2  itime      272901 
+ acceleration/energy drift too large   3.00966159611518     
+   10.3512914539065       split increased to            2  itime      271983 
   itsplit           1
+Momenta zeroed out, time            54399.80
 Momenta zeroed out, time            54599.80
-Momenta zeroed out, time            54799.80
- acceleration/energy drift too large   3.09492064970944     
-   16.6502664033997       split increased to            2  itime      274662 
+ acceleration/energy drift too large   9.06607105286273     
+   39.1592891957629       split increased to            2  itime      273746 
   itsplit           1
+Momenta zeroed out, time            54799.80
 Momenta zeroed out, time            54999.80
- acceleration/energy drift too large   4.33553662550381     
-   15.9800402741215       split increased to            2  itime      275025 
+ acceleration/energy drift too large   18.1519661241740     
+   113.165296276035       split increased to            2  itime      275229 
+  itsplit           1
+ acceleration/energy drift too large   4.40040142559595     
+   26.7322465236266       split increased to            4  itime      275229 
+  itsplit           2
+Momenta zeroed out, time            55199.80
+ acceleration/energy drift too large   8.11606703812327     
+   33.2212962751965       split increased to            2  itime      276072 
   itsplit           1
- acceleration/energy drift too large   5.99924239950305     
-   22.8243125397207       split increased to            2  itime      275357 
+ acceleration/energy drift too large   5.28901564307014     
+   24.1516985746739       split increased to            2  itime      276398 
   itsplit           1
- acceleration/energy drift too large   4.45673595140605     
-   15.8313278744251       split increased to            2  itime      275925 
+ acceleration/energy drift too large   3.73513241315570     
+   14.2460821987511       split increased to            2  itime      276399 
   itsplit           1
-Momenta zeroed out, time            55199.80
- acceleration/energy drift too large   6.21204051417979     
-   10.5123130445822       split increased to            2  itime      276104 
+ acceleration/energy drift too large   5.40850407210099     
+   14.8660738802476       split increased to            2  itime      276427 
   itsplit           1
- acceleration/energy drift too large   7.96027758498179     
-   30.0228163243172       split increased to            2  itime      276303 
+ acceleration/energy drift too large   18.4347145986597     
+   102.980300246050       split increased to            2  itime      276724 
   itsplit           1
- acceleration/energy drift too large   4.44310530960809     
-   11.9094756124272       split increased to            2  itime      276561 
+ acceleration/energy drift too large   3.35361246464254     
+   14.4304677484857       split increased to            4  itime      276724 
+  itsplit           1
+ acceleration/energy drift too large   5.16120378443078     
+   26.0296501040856       split increased to            2  itime      276812 
   itsplit           1
 Momenta zeroed out, time            55399.80
- acceleration/energy drift too large   4.57971082034885     
-   10.8723290077706       split increased to            2  itime      277029 
+ acceleration/energy drift too large   4.86234596626045     
+   20.8583313825614       split increased to            2  itime      277442 
+  itsplit           1
+ acceleration/energy drift too large   9.36727512007120     
+   41.5736990766541       split increased to            2  itime      277505 
   itsplit           1
- acceleration/energy drift too large   4.96493304609929     
-   13.8187085912096       split increased to            2  itime      277802 
+ acceleration/energy drift too large   2.60128226532555     
+   12.2737731417995       split increased to            2  itime      277506 
+  itsplit           1
+ acceleration/energy drift too large   4.69784614028711     
+   21.9216076388920       split increased to            2  itime      277587 
+  itsplit           1
+ acceleration/energy drift too large   7.32627067181505     
+   23.8885581442666       split increased to            2  itime      277662 
+  itsplit           1
+ acceleration/energy drift too large   9.17244438620854     
+   28.5084306374755       split increased to            2  itime      277912 
   itsplit           1
 Momenta zeroed out, time            55599.80
- acceleration/energy drift too large   13.1670438842333     
-   93.2661531758239       split increased to            2  itime      278340 
+ acceleration/energy drift too large   2.24233607843981     
+   10.4347812818288       split increased to            2  itime      278630 
   itsplit           1
- acceleration/energy drift too large   3.24858331813948     
-   11.0095447950707       split increased to            2  itime      278609 
+ acceleration/energy drift too large   7.13540664173053     
+   54.8954392592607       split increased to            2  itime      278959 
   itsplit           1
 Momenta zeroed out, time            55799.80
+ acceleration/energy drift too large   5.30530173109037     
+   13.7067834449363       split increased to            2  itime      279143 
+  itsplit           1
 Velocities reset to random values, time            55999.80
 Momenta zeroed out, time            55999.80
-Momenta zeroed out, time            56199.80
- acceleration/energy drift too large   3.80837570051548     
-   10.9245886062479       split increased to            2  itime      281169 
+ acceleration/energy drift too large   6.63747671910860     
+   22.3360094382124       split increased to            2  itime      280168 
   itsplit           1
- acceleration/energy drift too large   6.26712592328297     
-   37.3547973039321       split increased to            2  itime      281435 
+ acceleration/energy drift too large   16.0530227629669     
+   97.8862484641254       split increased to            2  itime      280649 
   itsplit           1
- acceleration/energy drift too large   6.00474759689568     
-   48.7668990097999       split increased to            2  itime      281587 
+ acceleration/energy drift too large   7.15468144761954     
+   26.7927477198446       split increased to            2  itime      280716 
   itsplit           1
+Momenta zeroed out, time            56199.80
 Momenta zeroed out, time            56399.80
-Momenta zeroed out, time            56599.80
- acceleration/energy drift too large   4.76923822283111     
-   18.5187906068444       split increased to            2  itime      283343 
+ acceleration/energy drift too large   12.2566964881871     
+   43.6040802558903       split increased to            2  itime      282366 
+  itsplit           1
+ acceleration/energy drift too large   2.92384109830386     
+   10.0517106664660       split increased to            4  itime      282366 
+  itsplit           2
+ acceleration/energy drift too large   9.06355316384848     
+   35.2297473787432       split increased to            2  itime      282803 
   itsplit           1
- acceleration/energy drift too large   4.74134863339242     
-   10.5442589383231       split increased to            2  itime      283962 
+Momenta zeroed out, time            56599.80
+ acceleration/energy drift too large   5.23415040891103     
+   16.2864155683641       split increased to            2  itime      283247 
   itsplit           1
 Momenta zeroed out, time            56799.80
- acceleration/energy drift too large   1.11710298583409     
-   14.7671746055043       split increased to            2  itime      284622 
-  itsplit           1
 Momenta zeroed out, time            56999.80
- acceleration/energy drift too large   6.09847868959111     
-   25.1537241940583       split increased to            2  itime      285150 
-  itsplit           1
- acceleration/energy drift too large   6.36451944105300     
-   29.3609412472426       split increased to            2  itime      285217 
-  itsplit           1
- acceleration/energy drift too large   4.25375035389164     
-   12.5295598528550       split increased to            2  itime      285964 
-  itsplit           1
 Momenta zeroed out, time            57199.80
- acceleration/energy drift too large   3.17293244778207     
-   11.1265956350733       split increased to            2  itime      286997 
+ acceleration/energy drift too large   9.53577270297975     
+   39.3587726047224       split increased to            2  itime      286784 
   itsplit           1
 Momenta zeroed out, time            57399.80
 Momenta zeroed out, time            57599.80
- acceleration/energy drift too large   8.56606750347405     
-   33.6274239831895       split increased to            2  itime      288150 
-  itsplit           1
- acceleration/energy drift too large   4.35460862678442     
-   16.5880697137996       split increased to            2  itime      288550 
+ acceleration/energy drift too large   4.12236739687388     
+   17.3159806593038       split increased to            2  itime      288133 
   itsplit           1
 Momenta zeroed out, time            57799.80
- acceleration/energy drift too large   5.63113147798956     
-   21.7889979382044       split increased to            2  itime      289272 
-  itsplit           1
- acceleration/energy drift too large   6.37786105069681     
-   12.0423921880096       split increased to            2  itime      289318 
+ acceleration/energy drift too large   6.40873899757364     
+   13.1070496752011       split increased to            2  itime      289463 
   itsplit           1
- acceleration/energy drift too large   6.92764691724541     
-   21.5820212365462       split increased to            2  itime      289859 
+ acceleration/energy drift too large   4.39382419474432     
+   29.7220306362332       split increased to            2  itime      289824 
   itsplit           1
 Velocities reset to random values, time            57999.80
 Momenta zeroed out, time            57999.80
- acceleration/energy drift too large   7.16702139276892     
-   23.7053494611427       split increased to            2  itime      290517 
-  itsplit           1
- acceleration/energy drift too large  0.141647459258889     
-   12.0079457087043       split increased to            2  itime      290518 
-  itsplit           1
- acceleration/energy drift too large   3.57575484238463     
-   15.6762276476869       split increased to            2  itime      290604 
+ acceleration/energy drift too large   3.75355365764702     
+   18.0138458036282       split increased to            2  itime      290046 
   itsplit           1
 Momenta zeroed out, time            58199.80
 Momenta zeroed out, time            58399.80
- acceleration/energy drift too large   5.60444531108707     
-   14.4776678473910       split increased to            2  itime      292842 
+ acceleration/energy drift too large   2.66281248210753     
+   14.8390425387201       split increased to            2  itime      292309 
   itsplit           1
- acceleration/energy drift too large   1.84521127265001     
-   13.0826301584896       split increased to            2  itime      292999 
+ acceleration/energy drift too large   4.89118754002859     
+   16.4935159562240       split increased to            2  itime      292866 
   itsplit           1
-Momenta zeroed out, time            58599.80
- acceleration/energy drift too large   6.07877785538021     
-   19.0818275316017       split increased to            2  itime      293770 
+ acceleration/energy drift too large   6.28482035579830     
+   12.8718747428621       split increased to            2  itime      292961 
   itsplit           1
+Momenta zeroed out, time            58599.80
 Momenta zeroed out, time            58799.80
+ acceleration/energy drift too large   2.86411518543258     
+   20.8883931666258       split increased to            2  itime      294292 
+  itsplit           1
+ acceleration/energy drift too large   8.26400981360099     
+   34.4296277481981       split increased to            2  itime      294883 
+  itsplit           1
 Momenta zeroed out, time            58999.80
+ acceleration/energy drift too large   2.75872849291607     
+   13.3573767776458       split increased to            2  itime      295973 
+  itsplit           1
 Momenta zeroed out, time            59199.80
- acceleration/energy drift too large   4.34133266060039     
-   14.7108851275525       split increased to            2  itime      296975 
+ acceleration/energy drift too large   4.70152166886369     
+   11.7830375697844       split increased to            2  itime      296008 
   itsplit           1
 Momenta zeroed out, time            59399.80
- acceleration/energy drift too large   11.7413149884183     
-   93.4901876344450       split increased to            2  itime      297040 
+ acceleration/energy drift too large   6.78728682515732     
+   19.3745417655508       split increased to            2  itime      297243 
+  itsplit           1
+ acceleration/energy drift too large   6.29476169719787     
+   27.4714639099444       split increased to            2  itime      297280 
+  itsplit           1
+ acceleration/energy drift too large   5.41149297430937     
+   14.9338253035471       split increased to            2  itime      297927 
   itsplit           1
 Momenta zeroed out, time            59599.80
- acceleration/energy drift too large   4.51513865254338     
-   11.7101178269664       split increased to            2  itime      298307 
+ acceleration/energy drift too large   3.34408637381135     
+   14.8560646066548       split increased to            2  itime      298717 
   itsplit           1
 Momenta zeroed out, time            59799.80
+ acceleration/energy drift too large   8.06970214398576     
+   29.3306516440024       split increased to            2  itime      299954 
+  itsplit           1
 Velocities reset to random values, time            59999.80
 Momenta zeroed out, time            59999.80
- acceleration/energy drift too large   3.87772773606872     
-   12.1715097302978       split increased to            2  itime      300217 
+ acceleration/energy drift too large   3.27945868870364     
+   11.2678201686419       split increased to            2  itime      300022 
   itsplit           1
 Momenta zeroed out, time            60199.80
-Momenta zeroed out, time            60399.80
- acceleration/energy drift too large   3.07226631206407     
-   10.6130889531721       split increased to            2  itime      302839 
+ acceleration/energy drift too large   3.95758683173641     
+   15.7016603515050       split increased to            2  itime      301295 
   itsplit           1
- acceleration/energy drift too large   5.62513422866424     
-   14.8112727925355       split increased to            2  itime      302974 
+Momenta zeroed out, time            60399.80
+ acceleration/energy drift too large   6.00190990152849     
+   14.9682242176218       split increased to            2  itime      302708 
   itsplit           1
 Momenta zeroed out, time            60599.80
- acceleration/energy drift too large   6.26672533301811     
-   26.4839550838542       split increased to            2  itime      303466 
-  itsplit           1
 Momenta zeroed out, time            60799.80
+ acceleration/energy drift too large   2.96057568952393     
+   10.3397591066601       split increased to            2  itime      304784 
+  itsplit           1
 Momenta zeroed out, time            60999.80
+ acceleration/energy drift too large   5.99960314436292     
+   13.6617239765240       split increased to            2  itime      305132 
+  itsplit           1
+ acceleration/energy drift too large   3.58197790327440     
+   10.0160056191271       split increased to            2  itime      305702 
+  itsplit           1
 Momenta zeroed out, time            61199.80
- acceleration/energy drift too large   8.22979206265666     
-   31.8998302966497       split increased to            2  itime      306488 
+ acceleration/energy drift too large   10.9550625803110     
+   54.8685169212879       split increased to            2  itime      306029 
   itsplit           1
- acceleration/energy drift too large   4.35918391897187     
-   21.4367759511287       split increased to            2  itime      306583 
+ acceleration/energy drift too large   6.60206596220393     
+   18.5408331225737       split increased to            2  itime      306435 
+  itsplit           1
+ acceleration/energy drift too large   1.54895970067718     
+   11.6962532582506       split increased to            2  itime      306805 
   itsplit           1
 Momenta zeroed out, time            61399.80
- acceleration/energy drift too large   4.22352142002545     
-   10.8642403141144       split increased to            2  itime      307320 
+ acceleration/energy drift too large   5.38176325453924     
+   25.7187519559874       split increased to            2  itime      307941 
   itsplit           1
 Momenta zeroed out, time            61599.80
- acceleration/energy drift too large   3.58734741669368     
-   15.9241564520711       split increased to            2  itime      308649 
-  itsplit           1
- acceleration/energy drift too large   6.26772929595009     
-   26.8453932035393       split increased to            2  itime      308831 
-  itsplit           1
 Momenta zeroed out, time            61799.80
 Velocities reset to random values, time            61999.80
 Momenta zeroed out, time            61999.80
- acceleration/energy drift too large   5.00788581853804     
-   24.5886760709928       split increased to            2  itime      310122 
-  itsplit           1
- acceleration/energy drift too large   5.22242785129405     
-   13.9751121907431       split increased to            2  itime      310997 
+ acceleration/energy drift too large   6.40004827296797     
+   16.8942318246780       split increased to            2  itime      310850 
   itsplit           1
 Momenta zeroed out, time            62199.80
+ acceleration/energy drift too large   3.88887185307799     
+   19.6148525170778       split increased to            2  itime      311957 
+  itsplit           1
 Momenta zeroed out, time            62399.80
- acceleration/energy drift too large   5.56515976111495     
-   32.6569971724545       split increased to            2  itime      312966 
+ acceleration/energy drift too large   4.40255783626493     
+   14.4128177770724       split increased to            2  itime      312439 
   itsplit           1
-Momenta zeroed out, time            62599.80
- acceleration/energy drift too large   2.77816990937764     
-   10.7779724312203       split increased to            2  itime      313937 
+ acceleration/energy drift too large   6.01403006704522     
+   19.9976106868488       split increased to            2  itime      312464 
   itsplit           1
+ acceleration/energy drift too large   2.62391940930527     
+   16.5873221685396       split increased to            2  itime      312892 
+  itsplit           1
+Momenta zeroed out, time            62599.80
 Momenta zeroed out, time            62799.80
- acceleration/energy drift too large   5.51880945795673     
-   20.1492324580416       split increased to            2  itime      314333 
+Momenta zeroed out, time            62999.80
+ acceleration/energy drift too large   4.50975359285140     
+   14.0077018713784       split increased to            2  itime      315144 
   itsplit           1
- acceleration/energy drift too large   5.73183101129082     
-   39.4335131910789       split increased to            2  itime      314475 
+ acceleration/energy drift too large   4.36731360347123     
+   10.4013676182418       split increased to            2  itime      315384 
   itsplit           1
-Momenta zeroed out, time            62999.80
-Momenta zeroed out, time            63199.80
- acceleration/energy drift too large   5.82175049318171     
-   15.0278368871625       split increased to            2  itime      316342 
+ acceleration/energy drift too large   5.56184920140469     
+   20.0077030063641       split increased to            2  itime      315816 
   itsplit           1
+Momenta zeroed out, time            63199.80
 Momenta zeroed out, time            63399.80
- acceleration/energy drift too large   4.94555608802537     
-   14.7464115370486       split increased to            2  itime      317444 
+ acceleration/energy drift too large   5.16848624934941     
+   20.0082236734576       split increased to            2  itime      317555 
   itsplit           1
-Momenta zeroed out, time            63599.80
- acceleration/energy drift too large   4.82229615550183     
-   26.7120019110374       split increased to            2  itime      318249 
+ acceleration/energy drift too large   3.47341292823193     
+   11.6661046880905       split increased to            2  itime      317558 
   itsplit           1
- acceleration/energy drift too large   8.82290487364711     
-   11.9549195378272       split increased to            2  itime      318376 
+Momenta zeroed out, time            63599.80
+ acceleration/energy drift too large   5.53206844361132     
+   18.2959813660198       split increased to            2  itime      318028 
   itsplit           1
 Momenta zeroed out, time            63799.80
+ acceleration/energy drift too large   4.19586051420184     
+   13.9426758830276       split increased to            2  itime      319075 
+  itsplit           1
 Velocities reset to random values, time            63999.80
 Momenta zeroed out, time            63999.80
- acceleration/energy drift too large   4.33745441623720     
-   16.2122922972832       split increased to            2  itime      320124 
-  itsplit           1
- acceleration/energy drift too large   2.47269171338341     
-   10.4108590536923       split increased to            2  itime      320778 
+ acceleration/energy drift too large   5.77480172817548     
+   20.7224207660353       split increased to            2  itime      320735 
   itsplit           1
 Momenta zeroed out, time            64199.80
 Momenta zeroed out, time            64399.80
- acceleration/energy drift too large   7.20660742036404     
-   22.3539495464028       split increased to            2  itime      322186 
+ acceleration/energy drift too large   5.00654383518501     
+   13.8245689580082       split increased to            2  itime      322249 
   itsplit           1
- acceleration/energy drift too large   2.10588209365756     
-   10.1572959250306       split increased to            2  itime      322211 
+ acceleration/energy drift too large   6.50143266432474     
+   28.3498157329327       split increased to            2  itime      322445 
   itsplit           1
- acceleration/energy drift too large   5.40001160292663     
-   13.6728078252757       split increased to            2  itime      322874 
+Momenta zeroed out, time            64599.80
+ acceleration/energy drift too large   8.32088494109352     
+   32.0296325442208       split increased to            2  itime      323204 
   itsplit           1
- acceleration/energy drift too large   3.96282203608718     
-   10.9260555804764       split increased to            2  itime      322914 
+ acceleration/energy drift too large   5.88994168653283     
+   23.0214829723725       split increased to            2  itime      323400 
   itsplit           1
-Momenta zeroed out, time            64599.80
 Momenta zeroed out, time            64799.80
- acceleration/energy drift too large   5.52501430691019     
-   21.4110240766078       split increased to            2  itime      324200 
+ acceleration/energy drift too large   5.14836443015490     
+   11.0977223392860       split increased to            2  itime      324308 
   itsplit           1
 Momenta zeroed out, time            64999.80
+ acceleration/energy drift too large   8.10853031908462     
+   27.2160522194181       split increased to            2  itime      325085 
+  itsplit           1
 Momenta zeroed out, time            65199.80
- acceleration/energy drift too large   8.23175150718607     
-   33.8412588689250       split increased to            2  itime      326135 
+ acceleration/energy drift too large   5.77451893220160     
+   18.4498389359430       split increased to            2  itime      326788 
   itsplit           1
- acceleration/energy drift too large   9.54244632783005     
-   45.9313914344257       split increased to            2  itime      326221 
+ acceleration/energy drift too large   8.84142056209816     
+   36.6509961128437       split increased to            2  itime      326985 
   itsplit           1
 Momenta zeroed out, time            65399.80
- acceleration/energy drift too large   9.87182112525291     
-   44.2541679502775       split increased to            2  itime      327339 
-  itsplit           1
- acceleration/energy drift too large   4.74435021170344     
-   22.0463321958129       split increased to            2  itime      327432 
-  itsplit           1
- acceleration/energy drift too large   5.67997906501674     
-   27.6055192631731       split increased to            2  itime      327660 
-  itsplit           1
 Momenta zeroed out, time            65599.80
 Momenta zeroed out, time            65799.80
- acceleration/energy drift too large   5.52183671034394     
-   11.1394332254895       split increased to            2  itime      329384 
+ acceleration/energy drift too large   3.00446229200747     
+   16.4334733745541       split increased to            2  itime      329981 
   itsplit           1
 Velocities reset to random values, time            65999.80
 Momenta zeroed out, time            65999.80
- acceleration/energy drift too large   5.70286611905924     
-   12.3454373836958       split increased to            2  itime      330073 
-  itsplit           1
- acceleration/energy drift too large   2.67674308724035     
-   12.6475397770038       split increased to            2  itime      330892 
+ acceleration/energy drift too large   6.09193782926205     
+   42.8835256397320       split increased to            2  itime      330018 
   itsplit           1
 Momenta zeroed out, time            66199.80
- acceleration/energy drift too large   10.9573631931542     
-   61.4547716729960       split increased to            2  itime      331994 
+ acceleration/energy drift too large   4.17155162162922     
+   20.1629548373493       split increased to            2  itime      331347 
   itsplit           1
 Momenta zeroed out, time            66399.80
- acceleration/energy drift too large   4.19980776055887     
-   18.3227282037588       split increased to            2  itime      332645 
-  itsplit           1
- acceleration/energy drift too large   8.98285137131648     
-   34.9285207851286       split increased to            2  itime      332764 
+ acceleration/energy drift too large   6.86632608441383     
+   15.5259063352514       split increased to            2  itime      332316 
   itsplit           1
- acceleration/energy drift too large   9.21853938692601     
-   41.3575569404111       split increased to            2  itime      332879 
+ acceleration/energy drift too large   8.39559969256802     
+   34.8481230437925       split increased to            2  itime      332825 
   itsplit           1
 Momenta zeroed out, time            66599.80
- acceleration/energy drift too large   4.11384821406946     
-   11.9778497215673       split increased to            2  itime      333004 
+ acceleration/energy drift too large   3.88630037490524     
+   10.9754801979186       split increased to            2  itime      333351 
   itsplit           1
- acceleration/energy drift too large   4.23015282640733     
-   13.2661408940036       split increased to            2  itime      333232 
+ acceleration/energy drift too large   4.82625736782658     
+   16.9208445705929       split increased to            2  itime      333450 
   itsplit           1
- acceleration/energy drift too large   5.33106450622870     
-   13.5505352818708       split increased to            2  itime      333393 
-  itsplit           1
- acceleration/energy drift too large   2.50793073798646     
-   14.7584089495969       split increased to            2  itime      333436 
-  itsplit           1
- acceleration/energy drift too large   2.14108410178098     
-   13.1492404645739       split increased to            2  itime      333788 
+ acceleration/energy drift too large   5.19158879206778     
+   12.6831938699289       split increased to            2  itime      333947 
   itsplit           1
 Momenta zeroed out, time            66799.80
- acceleration/energy drift too large   4.96357039865519     
-   21.6179983761437       split increased to            2  itime      334548 
+ acceleration/energy drift too large   13.0953685956485     
+   67.6433378023797       split increased to            2  itime      334725 
   itsplit           1
+ acceleration/energy drift too large   3.35987673088464     
+   18.5562765503125       split increased to            4  itime      334725 
+  itsplit           2
 Momenta zeroed out, time            66999.80
- acceleration/energy drift too large   6.00269485001475     
-   16.9990974105517       split increased to            2  itime      335257 
-  itsplit           1
- acceleration/energy drift too large   4.14251388925848     
-   21.1546389925541       split increased to            2  itime      335889 
+ acceleration/energy drift too large   6.29134732492232     
+   31.3315928628565       split increased to            2  itime      335973 
   itsplit           1
 Momenta zeroed out, time            67199.80
- acceleration/energy drift too large   2.28299362565981     
-   11.4930840685285       split increased to            2  itime      336170 
+ acceleration/energy drift too large   3.14286363260923     
+   12.9527571983636       split increased to            2  itime      336541 
   itsplit           1
 Momenta zeroed out, time            67399.80
- acceleration/energy drift too large   3.71511461343466     
-   12.0925875364780       split increased to            2  itime      337076 
+ acceleration/energy drift too large   4.72844080116563     
+   15.6940894599008       split increased to            2  itime      337257 
   itsplit           1
- acceleration/energy drift too large   5.83011316001194     
-   17.4614113108040       split increased to            2  itime      337497 
+ acceleration/energy drift too large   4.05820387661140     
+   19.7778942863676       split increased to            2  itime      337633 
   itsplit           1
- acceleration/energy drift too large   4.22463071156526     
-   18.1764981777441       split increased to            2  itime      337599 
+ acceleration/energy drift too large   2.42787267978862     
+   11.6939521285642       split increased to            2  itime      337918 
   itsplit           1
- acceleration/energy drift too large   9.53954307096393     
-   16.6158580682914       split increased to            2  itime      337730 
+Momenta zeroed out, time            67599.80
+ acceleration/energy drift too large   11.0257114718057     
+   39.5877748633559       split increased to            2  itime      338166 
   itsplit           1
- acceleration/energy drift too large   6.19905270440147     
-   24.1645156560803       split increased to            2  itime      337991 
+ acceleration/energy drift too large   3.02478534497516     
+   12.8239477361485       split increased to            2  itime      338167 
   itsplit           1
-Momenta zeroed out, time            67599.80
- acceleration/energy drift too large   5.51454099684556     
-   28.7561824874846       split increased to            2  itime      338619 
+ acceleration/energy drift too large   13.2656431329604     
+   64.6524714342451       split increased to            2  itime      338502 
+  itsplit           1
+ acceleration/energy drift too large   6.98067756635593     
+   26.1719335994581       split increased to            2  itime      338607 
+  itsplit           1
+ acceleration/energy drift too large   13.2834632254253     
+   87.1768691620908       split increased to            2  itime      338614 
+  itsplit           1
+ acceleration/energy drift too large   8.61035537815938     
+   15.8027976750506       split increased to            2  itime      338615 
+  itsplit           1
+ acceleration/energy drift too large   9.84485336139049     
+   31.5740622144232       split increased to            2  itime      338986 
   itsplit           1
 Momenta zeroed out, time            67799.80
+ acceleration/energy drift too large   6.49581426701066     
+   17.6148976308864       split increased to            2  itime      339143 
+  itsplit           1
+ acceleration/energy drift too large   3.79228080365657     
+   11.4024272699692       split increased to            2  itime      339236 
+  itsplit           1
+ acceleration/energy drift too large   3.99484541281598     
+   12.7614233198297       split increased to            2  itime      339653 
+  itsplit           1
 Velocities reset to random values, time            67999.80
 Momenta zeroed out, time            67999.80
- acceleration/energy drift too large   7.17925570004819     
-   26.9402260799020       split increased to            2  itime      340406 
-  itsplit           1
- acceleration/energy drift too large   2.18423784828527     
-   10.0538084880591       split increased to            4  itime      340406 
+ acceleration/energy drift too large   13.2637883442313     
+   75.5510637510855       split increased to            2  itime      340909 
   itsplit           1
- acceleration/energy drift too large   8.09899060689932     
-   21.3451929130691       split increased to            2  itime      340477 
+ acceleration/energy drift too large   2.74612565958384     
+   16.0743615255336       split increased to            4  itime      340909 
   itsplit           1
 Momenta zeroed out, time            68199.80
+ acceleration/energy drift too large   5.62685133226073     
+   10.5723564020620       split increased to            2  itime      341424 
+  itsplit           1
+ acceleration/energy drift too large   8.06907602256754     
+   30.0286277152552       split increased to            2  itime      341649 
+  itsplit           1
+ acceleration/energy drift too large   14.0749534605551     
+   61.3377509048212       split increased to            2  itime      341920 
+  itsplit           1
+ acceleration/energy drift too large   4.43563573736001     
+   12.6799594801472       split increased to            2  itime      341981 
+  itsplit           1
 Momenta zeroed out, time            68399.80
- acceleration/energy drift too large   5.67236040014153     
-   14.5183476974687       split increased to            2  itime      342181 
+ acceleration/energy drift too large   9.92996691586967     
+   43.3443741334179       split increased to            2  itime      342762 
   itsplit           1
-Momenta zeroed out, time            68599.80
- acceleration/energy drift too large   5.47978770251320     
-   26.7626051179639       split increased to            2  itime      343218 
+ acceleration/energy drift too large   2.33257701569675     
+   10.2692790500757       split increased to            4  itime      342762 
+  itsplit           2
+ acceleration/energy drift too large   5.31754752231108     
+   17.1112837014486       split increased to            2  itime      342780 
   itsplit           1
- acceleration/energy drift too large   4.88137863044962     
-   32.9598087955347       split increased to            2  itime      343378 
+ acceleration/energy drift too large   4.99999993532726     
+   16.2869059307607       split increased to            2  itime      342840 
   itsplit           1
-Momenta zeroed out, time            68799.80
- acceleration/energy drift too large   2.44937992526895     
-   28.6311734418778       split increased to            2  itime      344820 
+Momenta zeroed out, time            68599.80
+ acceleration/energy drift too large   4.08851106968791     
+   11.8056335649995       split increased to            2  itime      343468 
   itsplit           1
+Momenta zeroed out, time            68799.80
 Momenta zeroed out, time            68999.80
+ acceleration/energy drift too large   4.49864612532931     
+   11.0888964226578       split increased to            2  itime      345121 
+  itsplit           1
+ acceleration/energy drift too large   6.89362503327041     
+   20.3756079251639       split increased to            2  itime      345211 
+  itsplit           1
+ acceleration/energy drift too large   11.0905468437361     
+   46.3646766787522       split increased to            2  itime      345379 
+  itsplit           1
 Momenta zeroed out, time            69199.80
+ acceleration/energy drift too large   4.75363537234572     
+   11.8003822450959       split increased to            2  itime      346656 
+  itsplit           1
 Momenta zeroed out, time            69399.80
-Momenta zeroed out, time            69599.80
- acceleration/energy drift too large   5.65476046919067     
-   34.8014531500117       split increased to            2  itime      348284 
+ acceleration/energy drift too large   6.04037808837455     
+   24.8735402114171       split increased to            2  itime      347417 
   itsplit           1
- acceleration/energy drift too large   4.87722760027157     
-   15.4046550761224       split increased to            2  itime      348614 
+Momenta zeroed out, time            69599.80
+ acceleration/energy drift too large   4.24736461994864     
+   15.1331948061209       split increased to            2  itime      348309 
   itsplit           1
 Momenta zeroed out, time            69799.80
 Velocities reset to random values, time            69999.80
 Momenta zeroed out, time            69999.80
- acceleration/energy drift too large   5.70425876273822     
-   20.4437818960203       split increased to            2  itime      350200 
-  itsplit           1
 Momenta zeroed out, time            70199.80
 Momenta zeroed out, time            70399.80
+ acceleration/energy drift too large   6.16893623843596     
+   15.3530057360626       split increased to            2  itime      352902 
+  itsplit           1
 Momenta zeroed out, time            70599.80
- acceleration/energy drift too large   4.97305233785349     
-   15.5195365682788       split increased to            2  itime      353905 
+ acceleration/energy drift too large   2.77206663223993     
+   10.5187846993941       split increased to            2  itime      353225 
+  itsplit           1
+ acceleration/energy drift too large   9.69073693936229     
+   37.8676368080158       split increased to            2  itime      353263 
   itsplit           1
- acceleration/energy drift too large   6.28314781210993     
-   12.5816959842855       split increased to            2  itime      353906 
+ acceleration/energy drift too large   4.24911359372925     
+   11.1579324182118       split increased to            2  itime      353345 
+  itsplit           1
+ acceleration/energy drift too large   4.30676927438778     
+   10.2325430008230       split increased to            2  itime      353679 
   itsplit           1
 Momenta zeroed out, time            70799.80
- acceleration/energy drift too large   4.85062054831236     
-   16.5138464876842       split increased to            2  itime      354212 
+ acceleration/energy drift too large   3.07996521980640     
+   17.1436893848373       split increased to            2  itime      354125 
   itsplit           1
- acceleration/energy drift too large   4.77004775342498     
-   13.7919535727004       split increased to            2  itime      354598 
+ acceleration/energy drift too large   4.58450602400666     
+   10.1560334912204       split increased to            2  itime      354248 
   itsplit           1
- acceleration/energy drift too large   7.22137987188105     
-   21.7654085078264       split increased to            2  itime      354751 
+ acceleration/energy drift too large   9.23088408807150     
+   38.7020471863614       split increased to            2  itime      354942 
   itsplit           1
 Momenta zeroed out, time            70999.80
- acceleration/energy drift too large   4.91036521025633     
-   15.1513833119503       split increased to            2  itime      355058 
-  itsplit           1
-Momenta zeroed out, time            71199.80
- acceleration/energy drift too large   7.56459926342418     
-   33.7430507650884       split increased to            2  itime      356048 
+ acceleration/energy drift too large   4.97027122616995     
+   11.2490644069333       split increased to            2  itime      355249 
   itsplit           1
- acceleration/energy drift too large  0.000000000000000E+000
-   14.7838330326807       split increased to            2  itime      356049 
+ acceleration/energy drift too large   2.83753899938297     
+   15.0549152714894       split increased to            2  itime      355820 
   itsplit           1
- acceleration/energy drift too large   3.75067303387007     
-   10.9683024999211       split increased to            2  itime      356111 
+Momenta zeroed out, time            71199.80
+ acceleration/energy drift too large   5.84437466245516     
+   26.5574654447749       split increased to            2  itime      356200 
   itsplit           1
- acceleration/energy drift too large   3.77184770246343     
-   22.2104391109821       split increased to            2  itime      356899 
+ acceleration/energy drift too large   10.7965131150111     
+   52.5043095149675       split increased to            2  itime      356390 
   itsplit           1
- acceleration/energy drift too large   5.05602128754947     
-   11.6471732836511       split increased to            2  itime      356976 
+ acceleration/energy drift too large   1.91200432816810     
+   12.9116731619182       split increased to            2  itime      356774 
   itsplit           1
 Momenta zeroed out, time            71399.80
- acceleration/energy drift too large   5.32282292836541     
-   22.2830647727600       split increased to            2  itime      357072 
-  itsplit           1
- acceleration/energy drift too large   5.05640675220884     
-   32.7317112320048       split increased to            2  itime      357107 
-  itsplit           1
- acceleration/energy drift too large   4.04342697509880     
-   20.8717111738482       split increased to            2  itime      357350 
+ acceleration/energy drift too large   12.6209249731277     
+   65.0938625923920       split increased to            2  itime      357413 
   itsplit           1
 Momenta zeroed out, time            71599.80
 Momenta zeroed out, time            71799.80
- acceleration/energy drift too large   13.6520734456691     
-   99.7240362507821       split increased to            2  itime      359186 
+ acceleration/energy drift too large   7.01806716770282     
+   14.6871315374147       split increased to            2  itime      359811 
   itsplit           1
 Velocities reset to random values, time            71999.80
 Momenta zeroed out, time            71999.80
- acceleration/energy drift too large   5.56985997038008     
-   34.8057252453829       split increased to            2  itime      360643 
-  itsplit           1
- acceleration/energy drift too large   2.98476790930349     
-   12.3811522320495       split increased to            2  itime      360644 
-  itsplit           1
- acceleration/energy drift too large   4.31490550280101     
-   15.2302726146979       split increased to            2  itime      360753 
-  itsplit           1
 Momenta zeroed out, time            72199.80
- acceleration/energy drift too large   5.37183354773453     
-   13.1365769693407       split increased to            2  itime      361049 
+ acceleration/energy drift too large   4.30426460487960     
+   12.7885345539138       split increased to            2  itime      361787 
   itsplit           1
 Momenta zeroed out, time            72399.80
- acceleration/energy drift too large   5.61626647285595     
-   11.8269106253729       split increased to            2  itime      362094 
-  itsplit           1
- acceleration/energy drift too large   6.68809891538609     
-   18.7212884331570       split increased to            2  itime      362099 
+ acceleration/energy drift too large   6.38618170394330     
+   20.2657506044757       split increased to            2  itime      362623 
   itsplit           1
 Momenta zeroed out, time            72599.80
- acceleration/energy drift too large   13.4745700726732     
-   61.1596611801715       split increased to            2  itime      363103 
+ acceleration/energy drift too large   3.59571368012348     
+   11.4375701206336       split increased to            2  itime      363952 
   itsplit           1
 Momenta zeroed out, time            72799.80
- acceleration/energy drift too large   5.45616872696041     
-   15.5456678805484       split increased to            2  itime      364530 
+ acceleration/energy drift too large   5.63066211185046     
+   16.0270893029890       split increased to            2  itime      364000 
   itsplit           1
 Momenta zeroed out, time            72999.80
- acceleration/energy drift too large   3.76302750450603     
-   12.0533902355530       split increased to            2  itime      365146 
-  itsplit           1
- acceleration/energy drift too large   9.75789730124117     
-   40.2064821038216       split increased to            2  itime      365950 
-  itsplit           1
 Momenta zeroed out, time            73199.80
- acceleration/energy drift too large   10.1242024204941     
-   50.1556701158722       split increased to            2  itime      366761 
+ acceleration/energy drift too large   7.93857705147201     
+   31.1797144801329       split increased to            2  itime      366627 
   itsplit           1
 Momenta zeroed out, time            73399.80
+ acceleration/energy drift too large   5.02862521297261     
+   22.5955117178581       split increased to            2  itime      367259 
+  itsplit           1
+ acceleration/energy drift too large   5.46574541429815     
+   27.2717996216730       split increased to            2  itime      367323 
+  itsplit           1
+ acceleration/energy drift too large   5.78817882033061     
+   14.1373615909810       split increased to            2  itime      367449 
+  itsplit           1
+ acceleration/energy drift too large   1.52535942484601     
+   12.4064096300996       split increased to            2  itime      367753 
+  itsplit           1
 Momenta zeroed out, time            73599.80
+ acceleration/energy drift too large   6.83520518455295     
+   55.6606064341341       split increased to            2  itime      368409 
+  itsplit           1
 Momenta zeroed out, time            73799.80
+ acceleration/energy drift too large   2.72632848526691     
+   17.5586636374023       split increased to            2  itime      369128 
+  itsplit           1
+ acceleration/energy drift too large   8.26132700779172     
+   35.4033315942307       split increased to            2  itime      369658 
+  itsplit           1
 Velocities reset to random values, time            73999.80
 Momenta zeroed out, time            73999.80
- acceleration/energy drift too large   2.69392195459180     
-   15.3314825480577       split increased to            2  itime      370143 
+ acceleration/energy drift too large   3.26755593799290     
+   12.2330136539500       split increased to            2  itime      370522 
   itsplit           1
 Momenta zeroed out, time            74199.80
+ acceleration/energy drift too large   4.20918378170548     
+   20.2484063972128       split increased to            2  itime      371682 
+  itsplit           1
 Momenta zeroed out, time            74399.80
+ acceleration/energy drift too large   6.25599057790776     
+   20.3701702994107       split increased to            2  itime      372011 
+  itsplit           1
+ acceleration/energy drift too large   5.17609803871788     
+   37.3365291678839       split increased to            2  itime      372301 
+  itsplit           1
 Momenta zeroed out, time            74599.80
- acceleration/energy drift too large   3.72800484768925     
-   12.2905795843610       split increased to            2  itime      373360 
+ acceleration/energy drift too large   2.18625044502824     
+   12.4979598527361       split increased to            2  itime      373196 
   itsplit           1
-Momenta zeroed out, time            74799.80
- acceleration/energy drift too large   3.62547093999585     
-   10.9493782763942       split increased to            2  itime      374362 
+ acceleration/energy drift too large   6.99087927422722     
+   17.7573537873332       split increased to            2  itime      373824 
   itsplit           1
-Momenta zeroed out, time            74999.80
- acceleration/energy drift too large   3.23342500880719     
-   10.0540852656971       split increased to            2  itime      375716 
+Momenta zeroed out, time            74799.80
+ acceleration/energy drift too large   5.98562673072320     
+   12.9464766155225       split increased to            2  itime      374248 
   itsplit           1
- acceleration/energy drift too large   6.26892448802207     
-   24.4880771825872       split increased to            2  itime      375813 
+ acceleration/energy drift too large   5.16456929919195     
+   29.7320744596656       split increased to            2  itime      374984 
   itsplit           1
- acceleration/energy drift too large   2.25548825263547     
-   12.1950390926464       split increased to            2  itime      375993 
+Momenta zeroed out, time            74999.80
+ acceleration/energy drift too large   5.38264884643003     
+   15.4922846984308       split increased to            2  itime      375826 
   itsplit           1
 Momenta zeroed out, time            75199.80
- acceleration/energy drift too large   3.28265470863249     
-   11.8215680349020       split increased to            2  itime      376140 
+ acceleration/energy drift too large   2.95837879975651     
+   23.6879832385470       split increased to            2  itime      376870 
   itsplit           1
- acceleration/energy drift too large   2.66677328649185     
-   15.4017629357612       split increased to            2  itime      376317 
-  itsplit           1
- acceleration/energy drift too large   3.32507505799087     
-   10.4853819907079       split increased to            2  itime      376997 
+ acceleration/energy drift too large   6.52290332663009     
+   14.3256973745173       split increased to            2  itime      376894 
   itsplit           1
 Momenta zeroed out, time            75399.80
- acceleration/energy drift too large   5.73121968528872     
-   27.0339414628545       split increased to            2  itime      377193 
-  itsplit           1
- acceleration/energy drift too large   3.95377801654724     
-   12.9111303656302       split increased to            2  itime      377291 
+ acceleration/energy drift too large   2.59548376431496     
+   14.7651911623467       split increased to            2  itime      377340 
   itsplit           1
- acceleration/energy drift too large   10.2953276368433     
-   41.0819435914630       split increased to            2  itime      377495 
+ acceleration/energy drift too large   4.86920191790952     
+   10.8136904990774       split increased to            2  itime      377790 
   itsplit           1
 Momenta zeroed out, time            75599.80
- acceleration/energy drift too large   3.62380967823997     
-   10.5052825176058       split increased to            2  itime      378750 
-  itsplit           1
 Momenta zeroed out, time            75799.80
- acceleration/energy drift too large   4.58195914320092     
-   10.3005346491647       split increased to            2  itime      379997 
-  itsplit           1
 Velocities reset to random values, time            75999.80
 Momenta zeroed out, time            75999.80
- acceleration/energy drift too large   5.20885279274312     
-   11.4435193923116       split increased to            2  itime      380763 
+ acceleration/energy drift too large   4.31755369516315     
+   13.0597665459746       split increased to            2  itime      380070 
   itsplit           1
 Momenta zeroed out, time            76199.80
- acceleration/energy drift too large   14.4812173134570     
-   82.6464210954633       split increased to            2  itime      381743 
+ acceleration/energy drift too large   7.10011989860080     
+   17.9643409029004       split increased to            2  itime      381429 
   itsplit           1
- acceleration/energy drift too large   2.62989046487719     
-   14.2588873740295       split increased to            4  itime      381743 
+ acceleration/energy drift too large   5.18456272243569     
+   24.7944213868117       split increased to            2  itime      381975 
   itsplit           1
 Momenta zeroed out, time            76399.80
- acceleration/energy drift too large   4.43690481344893     
-   21.3464445884197       split increased to            2  itime      382661 
+ acceleration/energy drift too large   3.84713285550708     
+   21.6797956719237       split increased to            2  itime      382068 
   itsplit           1
- acceleration/energy drift too large   6.13016890068288     
-   28.0185984043862       split increased to            2  itime      382892 
+ acceleration/energy drift too large   4.75915444243683     
+   21.1436438334112       split increased to            2  itime      382210 
+  itsplit           1
+ acceleration/energy drift too large   6.95913696288498     
+   31.7203869502353       split increased to            2  itime      382955 
   itsplit           1
 Momenta zeroed out, time            76599.80
-Momenta zeroed out, time            76799.80
- acceleration/energy drift too large   4.45960986457156     
-   14.6356277995570       split increased to            2  itime      384755 
+ acceleration/energy drift too large   9.04328294950281     
+   32.7224984086004       split increased to            2  itime      383508 
   itsplit           1
-Momenta zeroed out, time            76999.80
- acceleration/energy drift too large   5.42870927254399     
-   14.1455588535455       split increased to            2  itime      385275 
+ acceleration/energy drift too large   13.7088270829648     
+   83.6836422604110       split increased to            2  itime      383654 
+  itsplit           1
+ acceleration/energy drift too large   3.87034025383081     
+   10.9198549787171       split increased to            2  itime      383807 
   itsplit           1
+ acceleration/energy drift too large   3.07943846131254     
+   13.3122381822469       split increased to            2  itime      383808 
+  itsplit           1
+Momenta zeroed out, time            76799.80
+Momenta zeroed out, time            76999.80
 Momenta zeroed out, time            77199.80
- acceleration/energy drift too large   9.28257437980411     
-   49.9628432700844       split increased to            2  itime      386945 
+ acceleration/energy drift too large   2.05905313759108     
+   15.6638235166501       split increased to            2  itime      386304 
+  itsplit           1
+ acceleration/energy drift too large   7.53757417015409     
+   31.4476564908109       split increased to            2  itime      386318 
+  itsplit           1
+ acceleration/energy drift too large   4.93471794139565     
+   31.9779294619814       split increased to            2  itime      386611 
   itsplit           1
 Momenta zeroed out, time            77399.80
- acceleration/energy drift too large   5.15653912884357     
-   14.7576773344073       split increased to            2  itime      387017 
+ acceleration/energy drift too large   4.64876691631145     
+   10.6789558498093       split increased to            2  itime      387023 
   itsplit           1
- acceleration/energy drift too large   5.78745894953602     
-   36.6412899688907       split increased to            2  itime      387788 
+ acceleration/energy drift too large   5.76761829596815     
+   14.1789304011111       split increased to            2  itime      387101 
   itsplit           1
 Momenta zeroed out, time            77599.80
+ acceleration/energy drift too large   4.98592342016687     
+   10.0475455938022       split increased to            2  itime      388868 
+  itsplit           1
 Momenta zeroed out, time            77799.80
- acceleration/energy drift too large   9.06640131109348     
-   35.9294782318364       split increased to            2  itime      389905 
+ acceleration/energy drift too large   4.93903466676892     
+   23.9743929275514       split increased to            2  itime      389065 
   itsplit           1
 Velocities reset to random values, time            77999.80
 Momenta zeroed out, time            77999.80
- acceleration/energy drift too large   3.03563882292458     
-   10.5875494282111       split increased to            2  itime      390027 
+Momenta zeroed out, time            78199.80
+ acceleration/energy drift too large   5.44229053045163     
+   14.5107640959053       split increased to            2  itime      391393 
   itsplit           1
- acceleration/energy drift too large   8.47261818253300     
-   25.9688092926032       split increased to            2  itime      390509 
+ acceleration/energy drift too large   5.42735939943281     
+   10.5789549596820       split increased to            2  itime      391473 
   itsplit           1
-Momenta zeroed out, time            78199.80
-Momenta zeroed out, time            78399.80
- acceleration/energy drift too large   4.32107653816584     
-   16.1667826636963       split increased to            2  itime      392264 
+ acceleration/energy drift too large   6.47313287318499     
+   42.6647811526716       split increased to            2  itime      391806 
+  itsplit           1
+ acceleration/energy drift too large   6.66779023074021     
+   26.3318225180366       split increased to            2  itime      391941 
   itsplit           1
- acceleration/energy drift too large   5.87927852935394     
-   12.9553611681904       split increased to            2  itime      392788 
+Momenta zeroed out, time            78399.80
+ acceleration/energy drift too large   3.40225631602981     
+   10.8211254731371       split increased to            2  itime      392391 
   itsplit           1
 Momenta zeroed out, time            78599.80
- acceleration/energy drift too large   4.36183210781173     
-   11.8847165745707       split increased to            2  itime      393548 
+ acceleration/energy drift too large   11.4210027532470     
+   57.4746505029143       split increased to            2  itime      393114 
+  itsplit           1
+ acceleration/energy drift too large   2.77403402159842     
+   13.6074207034544       split increased to            4  itime      393114 
+  itsplit           2
+ acceleration/energy drift too large   7.87760600372223     
+   19.6044698568222       split increased to            2  itime      393514 
+  itsplit           1
+ acceleration/energy drift too large   3.43221594204418     
+   11.3197045907774       split increased to            2  itime      393542 
   itsplit           1
 Momenta zeroed out, time            78799.80
- acceleration/energy drift too large   3.42855847724092     
-   11.9086440666801       split increased to            2  itime      394412 
+ acceleration/energy drift too large   6.64391993113304     
+   17.3480277934781       split increased to            2  itime      394589 
   itsplit           1
 Momenta zeroed out, time            78999.80
- acceleration/energy drift too large   5.44977801932562     
-   14.1124615300202       split increased to            2  itime      395147 
-  itsplit           1
- acceleration/energy drift too large   7.70830121700102     
-   15.9125269643141       split increased to            2  itime      395259 
+Momenta zeroed out, time            79199.80
+ acceleration/energy drift too large   5.27266841712539     
+   14.8889105204268       split increased to            2  itime      396114 
   itsplit           1
- acceleration/energy drift too large   8.34758527939284     
-   21.1380692522360       split increased to            2  itime      395634 
+ acceleration/energy drift too large   5.55101401767900     
+   35.2360817186840       split increased to            2  itime      396359 
   itsplit           1
- acceleration/energy drift too large   4.84218379573776     
-   13.5203750627988       split increased to            2  itime      395977 
+ acceleration/energy drift too large   2.68412320723017     
+   10.8805381888124       split increased to            2  itime      396364 
   itsplit           1
-Momenta zeroed out, time            79199.80
- acceleration/energy drift too large   2.86658602811834     
-   22.7735048402849       split increased to            2  itime      396481 
+ acceleration/energy drift too large   3.77167835906993     
+   13.6063352125000       split increased to            2  itime      396656 
   itsplit           1
 Momenta zeroed out, time            79399.80
- acceleration/energy drift too large   3.62780697498274     
-   17.9184692082455       split increased to            2  itime      397617 
-  itsplit           1
 Momenta zeroed out, time            79599.80
- acceleration/energy drift too large   5.87754066696013     
-   19.4102876066065       split increased to            2  itime      398334 
+ acceleration/energy drift too large   4.27972487901560     
+   18.8547264978039       split increased to            2  itime      398797 
   itsplit           1
- acceleration/energy drift too large   2.91259889263226     
-   17.6580548701725       split increased to            2  itime      398450 
+Momenta zeroed out, time            79799.80
+ acceleration/energy drift too large   4.48846094810141     
+   12.0296920041000       split increased to            2  itime      399210 
   itsplit           1
- acceleration/energy drift too large   5.16434459845574     
-   22.3830202070233       split increased to            2  itime      398586 
+ acceleration/energy drift too large   3.53383979151898     
+   10.1551203533845       split increased to            2  itime      399603 
   itsplit           1
-Momenta zeroed out, time            79799.80
- acceleration/energy drift too large   8.03659690920102     
-   29.0981699949444       split increased to            2  itime      399623 
+ acceleration/energy drift too large   5.10415548914768     
+   10.9976764388328       split increased to            2  itime      399612 
   itsplit           1
- acceleration/energy drift too large   5.56684415664197     
-   10.1067130343597       split increased to            2  itime      399813 
+ acceleration/energy drift too large   5.26892533575121     
+   20.3313585543470       split increased to            2  itime      399951 
   itsplit           1
- acceleration/energy drift too large   3.71861168107520     
-   13.7294702031848       split increased to            2  itime      399936 
+ acceleration/energy drift too large   2.35454190961130     
+   10.2030118226014       split increased to            2  itime      399952 
   itsplit           1
 Velocities reset to random values, time            79999.80
 Momenta zeroed out, time            79999.80
- acceleration/energy drift too large   7.06106062316077     
-   18.2306371093029       split increased to            2  itime      400095 
-  itsplit           1
- acceleration/energy drift too large   14.5306776070227     
-   104.847086167287       split increased to            2  itime      400518 
-  itsplit           1
- acceleration/energy drift too large   3.29011057244878     
-   16.6127106603581       split increased to            2  itime      400580 
+ acceleration/energy drift too large   6.81871739975792     
+   20.2001864179301       split increased to            2  itime      400373 
   itsplit           1
- acceleration/energy drift too large   1.62919839656614     
-   12.7945860499547       split increased to            2  itime      400595 
+Momenta zeroed out, time            80199.80
+ acceleration/energy drift too large   2.20853751528642     
+   15.4192186919929       split increased to            2  itime      401006 
   itsplit           1
- acceleration/energy drift too large   2.94059239252906     
-   10.0039109005849       split increased to            2  itime      400804 
+ acceleration/energy drift too large   4.55711702055688     
+   12.6148190313579       split increased to            2  itime      401902 
   itsplit           1
-Momenta zeroed out, time            80199.80
 Momenta zeroed out, time            80399.80
- acceleration/energy drift too large   7.99092592407840     
-   27.5162988249985       split increased to            2  itime      402587 
+ acceleration/energy drift too large   2.68255035042860     
+   12.6468377625698       split increased to            2  itime      402842 
   itsplit           1
 Momenta zeroed out, time            80599.80
-Momenta zeroed out, time            80799.80
- acceleration/energy drift too large   10.3849496306822     
-   56.4862963092583       split increased to            2  itime      404051 
-  itsplit           1
- acceleration/energy drift too large   4.29964243276781     
-   28.9620262337858       split increased to            4  itime      404051 
+ acceleration/energy drift too large   5.89153778891290     
+   11.1075672769293       split increased to            2  itime      403475 
   itsplit           1
- acceleration/energy drift too large   5.30560459021890     
-   14.8360688999716       split increased to            2  itime      404504 
+ acceleration/energy drift too large   5.08225321490442     
+   24.1075596141293       split increased to            2  itime      403598 
   itsplit           1
- acceleration/energy drift too large   4.69717044096893     
-   12.8784027790528       split increased to            2  itime      404665 
-  itsplit           1
- acceleration/energy drift too large   3.92747861884019     
-   11.4500592114353       split increased to            2  itime      404686 
-  itsplit           1
- acceleration/energy drift too large   12.6333515638709     
-   67.6004023538499       split increased to            2  itime      404858 
+ acceleration/energy drift too large   2.27600463830744     
+   10.7129398690600       split increased to            2  itime      403600 
   itsplit           1
+Momenta zeroed out, time            80799.80
 Momenta zeroed out, time            80999.80
- acceleration/energy drift too large   6.01923516827482     
-   27.0585413312846       split increased to            2  itime      405385 
-  itsplit           1
- acceleration/energy drift too large   5.22363934972302     
-   16.9139704188788       split increased to            2  itime      405659 
+ acceleration/energy drift too large   3.48748619691541     
+   14.2782498620853       split increased to            2  itime      405407 
   itsplit           1
 Momenta zeroed out, time            81199.80
- acceleration/energy drift too large   7.53385551960457     
-   17.1143379883414       split increased to            2  itime      406888 
-  itsplit           1
 Momenta zeroed out, time            81399.80
+ acceleration/energy drift too large   4.13832563717599     
+   10.7759558571804       split increased to            2  itime      407186 
+  itsplit           1
 Momenta zeroed out, time            81599.80
- acceleration/energy drift too large   7.64535191395734     
-   28.6197811590646       split increased to            2  itime      408610 
+ acceleration/energy drift too large   4.87032479068390     
+   13.3177897086731       split increased to            2  itime      408001 
   itsplit           1
- acceleration/energy drift too large   2.42551468736546     
-   13.8189909368855       split increased to            2  itime      408611 
+ acceleration/energy drift too large   2.97910859722397     
+   11.9915168923180       split increased to            2  itime      408546 
   itsplit           1
 Momenta zeroed out, time            81799.80
- acceleration/energy drift too large   4.71705024317139     
-   19.7008716074017       split increased to            2  itime      409331 
+ acceleration/energy drift too large   4.55251416204818     
+   12.6501976247419       split increased to            2  itime      409291 
   itsplit           1
- acceleration/energy drift too large   10.7736425729122     
-   49.6063164178893       split increased to            2  itime      409755 
+ acceleration/energy drift too large   2.74572763765680     
+   18.8452709748802       split increased to            2  itime      409565 
   itsplit           1
-Velocities reset to random values, time            81999.80
-Momenta zeroed out, time            81999.80
- acceleration/energy drift too large   6.18732368231247     
-   13.0770264270851       split increased to            2  itime      410020 
+ acceleration/energy drift too large   3.09321648417402     
+   10.1341042649758       split increased to            2  itime      409710 
   itsplit           1
- acceleration/energy drift too large   11.9295647011502     
-   60.3961168255826       split increased to            2  itime      410927 
+ acceleration/energy drift too large   2.77407394468537     
+   10.6375556290219       split increased to            2  itime      409785 
   itsplit           1
- acceleration/energy drift too large   1.94336322315142     
-   13.5350739673514       split increased to            2  itime      410967 
+ acceleration/energy drift too large   6.78288559804344     
+   26.7133741299618       split increased to            2  itime      409834 
+  itsplit           1
+Velocities reset to random values, time            81999.80
+Momenta zeroed out, time            81999.80
+ acceleration/energy drift too large   2.66350500347087     
+   10.0164967693334       split increased to            2  itime      410344 
   itsplit           1
 Momenta zeroed out, time            82199.80
- acceleration/energy drift too large   2.47606649038538     
-   15.2838967031739       split increased to            2  itime      411436 
+ acceleration/energy drift too large   4.72237221523630     
+   24.6830108397277       split increased to            2  itime      411419 
   itsplit           1
- acceleration/energy drift too large   6.55924554231874     
-   20.0410996688831       split increased to            2  itime      411880 
+ acceleration/energy drift too large   4.19371767320089     
+   13.0158368733324       split increased to            2  itime      411806 
   itsplit           1
 Momenta zeroed out, time            82399.80
+ acceleration/energy drift too large   13.7043345694570     
+   81.8977583926492       split increased to            2  itime      412647 
+  itsplit           1
 Momenta zeroed out, time            82599.80
 Momenta zeroed out, time            82799.80
+ acceleration/energy drift too large   4.92082025443610     
+   15.0134737073112       split increased to            2  itime      414105 
+  itsplit           1
+ acceleration/energy drift too large   9.17163354423360     
+   37.3140103211906       split increased to            2  itime      414397 
+  itsplit           1
 Momenta zeroed out, time            82999.80
- acceleration/energy drift too large   6.77594699816973     
-   21.7684518199394       split increased to            2  itime      415047 
+ acceleration/energy drift too large   5.96640462555921     
+   26.0558229071155       split increased to            2  itime      415930 
   itsplit           1
 Momenta zeroed out, time            83199.80
- acceleration/energy drift too large   9.38847098633897     
-   33.6121426937704       split increased to            2  itime      416710 
+ acceleration/energy drift too large   7.18981226880195     
+   22.5474330023564       split increased to            2  itime      416095 
+  itsplit           1
+ acceleration/energy drift too large   5.16318858192491     
+   17.4085524181347       split increased to            2  itime      416271 
   itsplit           1
 Momenta zeroed out, time            83399.80
+ acceleration/energy drift too large   7.40718871269299     
+   30.9205654344190       split increased to            2  itime      417124 
+  itsplit           1
+ acceleration/energy drift too large   11.5157056298559     
+   60.3921562149119       split increased to            2  itime      417186 
+  itsplit           1
+ acceleration/energy drift too large   7.74271769522388     
+   24.9732157508408       split increased to            2  itime      417452 
+  itsplit           1
+ acceleration/energy drift too large  0.388378558383072     
+   10.8481418219641       split increased to            2  itime      417453 
+  itsplit           1
 Momenta zeroed out, time            83599.80
- acceleration/energy drift too large   6.00703416841466     
-   12.5941215253038       split increased to            2  itime      418699 
+ acceleration/energy drift too large   6.21942754716074     
+   26.2542183408367       split increased to            2  itime      418063 
+  itsplit           1
+ acceleration/energy drift too large   6.70822518764554     
+   31.9578975986386       split increased to            2  itime      418978 
   itsplit           1
 Momenta zeroed out, time            83799.80
- acceleration/energy drift too large   8.33371520945900     
-   46.1817408351217       split increased to            2  itime      419165 
+ acceleration/energy drift too large   5.32040697473667     
+   30.0826534506163       split increased to            2  itime      419141 
   itsplit           1
- acceleration/energy drift too large   8.78911387370892     
-   33.2503226410582       split increased to            2  itime      419359 
+ acceleration/energy drift too large   5.87256590701524     
+   12.0444585102366       split increased to            2  itime      419740 
   itsplit           1
 Velocities reset to random values, time            83999.80
 Momenta zeroed out, time            83999.80
- acceleration/energy drift too large   3.82547145797209     
-   11.6421994628940       split increased to            2  itime      420047 
-  itsplit           1
- acceleration/energy drift too large   5.01535675033320     
-   11.1312862060694       split increased to            2  itime      420455 
-  itsplit           1
- acceleration/energy drift too large   5.32696762404008     
-   16.8311823059773       split increased to            2  itime      420642 
+ acceleration/energy drift too large   4.23140020860832     
+   18.7530109735605       split increased to            2  itime      420311 
   itsplit           1
 Momenta zeroed out, time            84199.80
- acceleration/energy drift too large   3.07520309408933     
-   12.6810302087769       split increased to            2  itime      421216 
+ acceleration/energy drift too large   9.53806263464960     
+   38.7572105923119       split increased to            2  itime      421041 
   itsplit           1
- acceleration/energy drift too large   6.83284128917897     
-   15.6118529077026       split increased to            2  itime      421373 
+ acceleration/energy drift too large   3.16886567615180     
+   16.2536511214724       split increased to            2  itime      421231 
+  itsplit           1
+ acceleration/energy drift too large   4.43452282381531     
+   19.9976465821876       split increased to            2  itime      421337 
   itsplit           1
 Momenta zeroed out, time            84399.80
 Momenta zeroed out, time            84599.80
- acceleration/energy drift too large   4.59349259538212     
-   13.0565907796913       split increased to            2  itime      423004 
+ acceleration/energy drift too large   6.61804888478006     
+   16.6282682302955       split increased to            2  itime      423302 
   itsplit           1
- acceleration/energy drift too large   14.6814741188991     
-   126.971116519638       split increased to            2  itime      423181 
+ acceleration/energy drift too large   5.28482258614105     
+   16.5583084558019       split increased to            2  itime      423445 
   itsplit           1
- acceleration/energy drift too large   3.40571020444206     
-   14.8000882667488       split increased to            4  itime      423181 
+ acceleration/energy drift too large   5.85085576717422     
+   15.4401978582753       split increased to            2  itime      423553 
   itsplit           1
- acceleration/energy drift too large   11.0280830327342     
-   54.8048318424723       split increased to            2  itime      423248 
+Momenta zeroed out, time            84799.80
+ acceleration/energy drift too large   2.21516062410301     
+   11.3970404576827       split increased to            2  itime      424468 
   itsplit           1
- acceleration/energy drift too large   5.88449733172215     
-   23.5512029629371       split increased to            2  itime      423301 
-  itsplit           1
- acceleration/energy drift too large   2.44136065107987     
-   13.2573305997462       split increased to            2  itime      423330 
-  itsplit           1
-Momenta zeroed out, time            84799.80
- acceleration/energy drift too large   3.22015082799902     
-   13.4755713435378       split increased to            2  itime      424174 
-  itsplit           1
- acceleration/energy drift too large   9.46683384752999     
-   51.5723841531277       split increased to            2  itime      424404 
-  itsplit           1
- acceleration/energy drift too large   10.0069894909351     
-   40.2032930603195       split increased to            2  itime      424689 
-  itsplit           1
- acceleration/energy drift too large   5.40403777664649     
-   10.5748022455640       split increased to            2  itime      424788 
+ acceleration/energy drift too large   4.01426225930951     
+   12.5720402889446       split increased to            2  itime      424872 
   itsplit           1
 Momenta zeroed out, time            84999.80
- acceleration/energy drift too large   17.3234836097180     
-   93.2340826217077       split increased to            2  itime      425204 
+ acceleration/energy drift too large   5.93116666913470     
+   34.6278686987444       split increased to            2  itime      425529 
   itsplit           1
 Momenta zeroed out, time            85199.80
- acceleration/energy drift too large   4.50958502821001     
-   14.6635531053995       split increased to            2  itime      426419 
+ acceleration/energy drift too large   2.64355133621405     
+   13.6378102440109       split increased to            2  itime      426713 
   itsplit           1
 Momenta zeroed out, time            85399.80
- acceleration/energy drift too large   5.61240117967935     
-   37.5357768486058       split increased to            2  itime      427011 
+Momenta zeroed out, time            85599.80
+ acceleration/energy drift too large   4.06950124257089     
+   10.0795860479406       split increased to            2  itime      428364 
   itsplit           1
- acceleration/energy drift too large   4.40725723225124     
-   14.4201453077517       split increased to            2  itime      427982 
+ acceleration/energy drift too large   8.00940529785577     
+   23.4164635765157       split increased to            2  itime      428836 
+  itsplit           1
+ acceleration/energy drift too large   4.45406222097278     
+   20.4471206398783       split increased to            2  itime      428952 
   itsplit           1
-Momenta zeroed out, time            85599.80
 Momenta zeroed out, time            85799.80
+ acceleration/energy drift too large   10.6124167846463     
+   49.1660554716766       split increased to            2  itime      429929 
+  itsplit           1
 Velocities reset to random values, time            85999.80
 Momenta zeroed out, time            85999.80
 Momenta zeroed out, time            86199.80
+ acceleration/energy drift too large   5.33320650837189     
+   11.9713997444453       split increased to            2  itime      431412 
+  itsplit           1
+ acceleration/energy drift too large   6.74174102272201     
+   14.4118307853426       split increased to            2  itime      431602 
+  itsplit           1
 Momenta zeroed out, time            86399.80
- acceleration/energy drift too large   3.11139907650274     
-   21.6530357955945       split increased to            2  itime      432214 
+ acceleration/energy drift too large   7.03772619071516     
+   28.4444057902948       split increased to            2  itime      432129 
   itsplit           1
-Momenta zeroed out, time            86599.80
- acceleration/energy drift too large   5.88433342147688     
-   25.3031109355052       split increased to            2  itime      433499 
+ acceleration/energy drift too large   4.55448190090296     
+   17.9961111966829       split increased to            2  itime      432213 
+  itsplit           1
+ acceleration/energy drift too large   2.45083573399492     
+   13.4278169977235       split increased to            2  itime      432243 
+  itsplit           1
+ acceleration/energy drift too large   3.93364895310265     
+   17.5427853202592       split increased to            2  itime      432317 
+  itsplit           1
+ acceleration/energy drift too large   5.67058268682041     
+   25.0511985899085       split increased to            2  itime      432463 
   itsplit           1
- acceleration/energy drift too large   4.83914799465313     
-   14.9419572908504       split increased to            2  itime      433580 
+ acceleration/energy drift too large   9.99333458726997     
+   43.1269202244239       split increased to            2  itime      432508 
   itsplit           1
- acceleration/energy drift too large   7.46435266132683     
-   30.2433900652720       split increased to            2  itime      433718 
+ acceleration/energy drift too large   4.36788924370505     
+   13.4151507317081       split increased to            2  itime      432565 
   itsplit           1
- acceleration/energy drift too large   6.35258195876558     
-   19.0175893889655       split increased to            2  itime      433898 
+ acceleration/energy drift too large   1.40855088193498     
+   13.3541233207257       split increased to            2  itime      432998 
+  itsplit           1
+Momenta zeroed out, time            86599.80
+ acceleration/energy drift too large   2.97925039476207     
+   21.5875659461037       split increased to            2  itime      433156 
   itsplit           1
 Momenta zeroed out, time            86799.80
+ acceleration/energy drift too large   4.12039286360068     
+   11.2075954709520       split increased to            2  itime      434467 
+  itsplit           1
+ acceleration/energy drift too large   3.97956901363867     
+   11.5516804640946       split increased to            2  itime      434481 
+  itsplit           1
 Momenta zeroed out, time            86999.80
-Momenta zeroed out, time            87199.80
- acceleration/energy drift too large   4.83701973279826     
-   13.3691262037599       split increased to            2  itime      436808 
+ acceleration/energy drift too large   6.56025434076773     
+   24.8172487826313       split increased to            2  itime      435230 
   itsplit           1
- acceleration/energy drift too large   5.49912283511421     
-   13.3268465310737       split increased to            2  itime      436822 
+ acceleration/energy drift too large   5.89424251256535     
+   18.7399164970373       split increased to            2  itime      435341 
   itsplit           1
-Momenta zeroed out, time            87399.80
- acceleration/energy drift too large   6.54503239854401     
-   10.4000843829256       split increased to            2  itime      437211 
+ acceleration/energy drift too large   4.32768075171319     
+   11.9842616180550       split increased to            2  itime      435606 
   itsplit           1
- acceleration/energy drift too large   8.04726876850157     
-   35.1262771038381       split increased to            2  itime      437570 
+Momenta zeroed out, time            87199.80
+ acceleration/energy drift too large   7.38274663157603     
+   51.5378971406451       split increased to            2  itime      436824 
   itsplit           1
+Momenta zeroed out, time            87399.80
 Momenta zeroed out, time            87599.80
 Momenta zeroed out, time            87799.80
- acceleration/energy drift too large   4.27887232826092     
-   17.8553385392129       split increased to            2  itime      439221 
-  itsplit           1
- acceleration/energy drift too large   10.8676200993045     
-   55.0306071189241       split increased to            2  itime      439236 
-  itsplit           1
- acceleration/energy drift too large   6.55879090910386     
-   28.7658234431276       split increased to            2  itime      439429 
-  itsplit           1
 Velocities reset to random values, time            87999.80
 Momenta zeroed out, time            87999.80
- acceleration/energy drift too large   2.28629719896199     
-   10.0974990634816       split increased to            2  itime      440381 
+ acceleration/energy drift too large   5.41701401868053     
+   20.6477093311200       split increased to            2  itime      440025 
   itsplit           1
- acceleration/energy drift too large   4.28874970383680     
-   10.6104183354824       split increased to            2  itime      440434 
+ acceleration/energy drift too large   5.77856532910847     
+   11.8736594783062       split increased to            2  itime      440062 
   itsplit           1
- acceleration/energy drift too large   4.73290396647472     
-   16.7411982214389       split increased to            2  itime      440447 
+ acceleration/energy drift too large   5.70143826526017     
+   41.2214393419009       split increased to            2  itime      440235 
   itsplit           1
- acceleration/energy drift too large   5.83695575478264     
-   12.9720392049846       split increased to            2  itime      440533 
+ acceleration/energy drift too large   4.21308999944285     
+   11.9709067738492       split increased to            2  itime      440714 
   itsplit           1
-Momenta zeroed out, time            88199.80
- acceleration/energy drift too large   2.26196096527695     
-   13.2250994686268       split increased to            2  itime      441369 
+ acceleration/energy drift too large   5.32440786623902     
+   20.2137024115170       split increased to            2  itime      440830 
   itsplit           1
+ acceleration/energy drift too large   2.81895585043219     
+   10.1785139963199       split increased to            2  itime      440831 
+  itsplit           1
+Momenta zeroed out, time            88199.80
 Momenta zeroed out, time            88399.80
- acceleration/energy drift too large   3.52870515293085     
-   15.2564264604482       split increased to            2  itime      442424 
+ acceleration/energy drift too large   8.12355702129282     
+   24.2825108213189       split increased to            2  itime      442918 
+  itsplit           1
+ acceleration/energy drift too large   1.72862970874912     
+   14.1609961805352       split increased to            2  itime      442919 
+  itsplit           1
+ acceleration/energy drift too large   3.56703201844322     
+   16.8627399152998       split increased to            2  itime      442954 
   itsplit           1
 Momenta zeroed out, time            88599.80
- acceleration/energy drift too large   4.41531687810100     
-   13.8296285645020       split increased to            2  itime      443643 
+ acceleration/energy drift too large   5.52014587621116     
+   10.3219281811609       split increased to            2  itime      443186 
+  itsplit           1
+ acceleration/energy drift too large   4.17711627085454     
+   13.1702510933799       split increased to            2  itime      443657 
+  itsplit           1
+ acceleration/energy drift too large   13.4324404596144     
+   93.1945071690684       split increased to            2  itime      443660 
   itsplit           1
 Momenta zeroed out, time            88799.80
- acceleration/energy drift too large   3.42177533256448     
-   11.4567891996053       split increased to            2  itime      444276 
+ acceleration/energy drift too large   3.47668963140518     
+   16.3681876712026       split increased to            2  itime      444146 
   itsplit           1
- acceleration/energy drift too large   6.82435877518152     
-   23.9454595201569       split increased to            2  itime      444992 
+ acceleration/energy drift too large   5.26280575032560     
+   17.2367036485583       split increased to            2  itime      444908 
+  itsplit           1
+ acceleration/energy drift too large   5.35153048776863     
+   12.5020862297359       split increased to            2  itime      444918 
   itsplit           1
 Momenta zeroed out, time            88999.80
- acceleration/energy drift too large   5.32600216835493     
-   25.1324762741844       split increased to            2  itime      445766 
+ acceleration/energy drift too large   3.02194170508634     
+   13.0975032554040       split increased to            2  itime      445068 
   itsplit           1
- acceleration/energy drift too large   13.5973261066040     
-   101.965039168981       split increased to            2  itime      445800 
+ acceleration/energy drift too large   4.72655685478489     
+   21.8895759778608       split increased to            2  itime      445331 
   itsplit           1
-Momenta zeroed out, time            89199.80
- acceleration/energy drift too large   5.55018600061372     
-   21.7456874434172       split increased to            2  itime      446083 
+ acceleration/energy drift too large   8.37447190509563     
+   30.1491617823334       split increased to            2  itime      445395 
   itsplit           1
-Momenta zeroed out, time            89399.80
- acceleration/energy drift too large   5.01238899830076     
-   14.6954701527766       split increased to            2  itime      447765 
+ acceleration/energy drift too large   6.13839242529620     
+   18.5018080132871       split increased to            2  itime      445511 
   itsplit           1
- acceleration/energy drift too large   4.45165313897789     
-   20.0219643208497       split increased to            2  itime      447787 
+ acceleration/energy drift too large   3.29415823977872     
+   10.8508516009387       split increased to            2  itime      445988 
   itsplit           1
- acceleration/energy drift too large   7.00932840978808     
-   25.7472846073652       split increased to            2  itime      447851 
+Momenta zeroed out, time            89199.80
+ acceleration/energy drift too large   5.50235217006792     
+   16.4119027722005       split increased to            2  itime      446207 
   itsplit           1
+Momenta zeroed out, time            89399.80
 Momenta zeroed out, time            89599.80
 Momenta zeroed out, time            89799.80
 Velocities reset to random values, time            89999.80
 Momenta zeroed out, time            89999.80
- acceleration/energy drift too large   5.86056901159797     
-   16.5158107088253       split increased to            2  itime      450175 
-  itsplit           1
 Momenta zeroed out, time            90199.80
- acceleration/energy drift too large   2.76850410847315     
-   23.6610967924416       split increased to            2  itime      451727 
+ acceleration/energy drift too large   8.45192016314703     
+   35.4804655295981       split increased to            2  itime      451296 
   itsplit           1
- acceleration/energy drift too large   8.11057941261644     
-   19.1338323043043       split increased to            2  itime      451929 
+ acceleration/energy drift too large   4.26236586893193     
+   18.5623340789814       split increased to            2  itime      451522 
   itsplit           1
-Momenta zeroed out, time            90399.80
- acceleration/energy drift too large   4.28214178860682     
-   21.2565370432447       split increased to            2  itime      452011 
-  itsplit           1
- acceleration/energy drift too large   11.4636807157732     
-   66.9179408393535       split increased to            2  itime      452315 
+ acceleration/energy drift too large   1.99386657423154     
+   13.4097219474261       split increased to            2  itime      451956 
   itsplit           1
+Momenta zeroed out, time            90399.80
 Momenta zeroed out, time            90599.80
- acceleration/energy drift too large   5.39378243556368     
-   36.8861626449615       split increased to            2  itime      453048 
-  itsplit           1
- acceleration/energy drift too large   4.26009567502510     
-   15.0588083282262       split increased to            2  itime      453496 
-  itsplit           1
- acceleration/energy drift too large   5.11690614860138     
-   13.3575654705886       split increased to            2  itime      453669 
-  itsplit           1
 Momenta zeroed out, time            90799.80
- acceleration/energy drift too large   5.57863916036011     
-   21.0889086657440       split increased to            2  itime      454562 
-  itsplit           1
- acceleration/energy drift too large   4.19152820236243     
-   12.7320092305765       split increased to            2  itime      454922 
+ acceleration/energy drift too large   7.42160463187368     
+   25.6737711332883       split increased to            2  itime      454067 
   itsplit           1
 Momenta zeroed out, time            90999.80
 Momenta zeroed out, time            91199.80
 Momenta zeroed out, time            91399.80
- acceleration/energy drift too large   6.56111618980589     
-   14.9107037897353       split increased to            2  itime      457027 
+ acceleration/energy drift too large   4.50063766541780     
+   21.6526326451529       split increased to            2  itime      457360 
   itsplit           1
- acceleration/energy drift too large   5.36395538148020     
-   19.0812737855528       split increased to            2  itime      457939 
+ acceleration/energy drift too large   3.12733014888226     
+   11.7046628044348       split increased to            2  itime      457473 
   itsplit           1
-Momenta zeroed out, time            91599.80
-Momenta zeroed out, time            91799.80
- acceleration/energy drift too large   4.98044014440047     
-   13.0297882705168       split increased to            2  itime      459086 
+ acceleration/energy drift too large   4.59606469453002     
+   16.3255904741792       split increased to            2  itime      457797 
   itsplit           1
- acceleration/energy drift too large   2.80396622831021     
-   12.1870316696287       split increased to            2  itime      459799 
+ acceleration/energy drift too large   13.9091724372466     
+   58.6108154121556       split increased to            2  itime      457892 
   itsplit           1
- acceleration/energy drift too large   3.20160939868819     
-   13.5945533697769       split increased to            2  itime      459941 
+ acceleration/energy drift too large   2.66466468219750     
+   21.9164806784711       split increased to            2  itime      457893 
   itsplit           1
+Momenta zeroed out, time            91599.80
+Momenta zeroed out, time            91799.80
 Velocities reset to random values, time            91999.80
 Momenta zeroed out, time            91999.80
- acceleration/energy drift too large   5.09205260236149     
-   14.8811231640076       split increased to            2  itime      460026 
-  itsplit           1
- acceleration/energy drift too large   4.66973970213831     
-   21.6222232467706       split increased to            2  itime      460119 
-  itsplit           1
- acceleration/energy drift too large   3.46956808850136     
-   20.3774374922521       split increased to            2  itime      460545 
-  itsplit           1
 Momenta zeroed out, time            92199.80
- acceleration/energy drift too large   8.36343168046823     
-   32.7418599410324       split increased to            2  itime      461661 
-  itsplit           1
- acceleration/energy drift too large   13.2242004018519     
-   67.4821693413727       split increased to            2  itime      461782 
+ acceleration/energy drift too large   13.8779557999965     
+   80.2171070121387       split increased to            2  itime      461761 
   itsplit           1
+ acceleration/energy drift too large   3.22656367882409     
+   18.2624899607158       split increased to            4  itime      461761 
+  itsplit           2
 Momenta zeroed out, time            92399.80
- acceleration/energy drift too large   4.11806638126836     
-   15.5609105724721       split increased to            2  itime      462072 
-  itsplit           1
- acceleration/energy drift too large   13.9160999764017     
-   81.1625723939844       split increased to            2  itime      462568 
-  itsplit           1
 Momenta zeroed out, time            92599.80
- acceleration/energy drift too large   2.21358124456852     
-   19.9133879874989       split increased to            2  itime      463053 
-  itsplit           1
- acceleration/energy drift too large   3.95735508505782     
-   11.5241885005249       split increased to            2  itime      463076 
-  itsplit           1
 Momenta zeroed out, time            92799.80
- acceleration/energy drift too large   3.60700860008784     
-   12.9211783723256       split increased to            2  itime      464417 
+ acceleration/energy drift too large   2.64266149909697     
+   12.4921070460805       split increased to            2  itime      464291 
   itsplit           1
- acceleration/energy drift too large   1.45992222009605     
-   12.7450299797347       split increased to            2  itime      464544 
-  itsplit           1
- acceleration/energy drift too large   5.41541623553008     
-   17.8761456507216       split increased to            2  itime      464771 
-  itsplit           1
- acceleration/energy drift too large   4.54476258373918     
-   14.0024250827652       split increased to            2  itime      464990 
+ acceleration/energy drift too large   5.34152293560230     
+   14.4738014177988       split increased to            2  itime      464761 
   itsplit           1
 Momenta zeroed out, time            92999.80
- acceleration/energy drift too large   8.01638815455015     
-   24.9021273032117       split increased to            2  itime      465563 
-  itsplit           1
 Momenta zeroed out, time            93199.80
- acceleration/energy drift too large   5.37417722799794     
-   28.3067599473403       split increased to            2  itime      466558 
-  itsplit           1
- acceleration/energy drift too large   5.55091260736363     
-   30.6068466486724       split increased to            2  itime      466594 
-  itsplit           1
 Momenta zeroed out, time            93399.80
- acceleration/energy drift too large   7.27755283661030     
-   49.8955633092553       split increased to            2  itime      467436 
+ acceleration/energy drift too large   3.64304862499644     
+   10.4342271207518       split increased to            2  itime      467975 
+  itsplit           1
+ acceleration/energy drift too large   6.25321472852441     
+   13.0419399693491       split increased to            2  itime      467994 
   itsplit           1
 Momenta zeroed out, time            93599.80
-Momenta zeroed out, time            93799.80
- acceleration/energy drift too large   4.51893218164313     
-   20.1598182759345       split increased to            2  itime      469161 
+ acceleration/energy drift too large   4.68145987663830     
+   19.0816822844841       split increased to            2  itime      468501 
   itsplit           1
- acceleration/energy drift too large   4.18109216736337     
-   16.2681765758939       split increased to            2  itime      469471 
+Momenta zeroed out, time            93799.80
+ acceleration/energy drift too large   4.47434642622370     
+   14.3164700165113       split increased to            2  itime      469352 
   itsplit           1
- acceleration/energy drift too large   11.7368740403794     
-   65.0843143071645       split increased to            2  itime      469552 
+ acceleration/energy drift too large   4.19728699773014     
+   12.2311812488770       split increased to            2  itime      469561 
   itsplit           1
 Velocities reset to random values, time            93999.80
 Momenta zeroed out, time            93999.80
- acceleration/energy drift too large   3.94790632524740     
-   17.8359709076583       split increased to            2  itime      470248 
-  itsplit           1
- acceleration/energy drift too large   5.95861843681473     
-   39.8888124970212       split increased to            2  itime      470367 
-  itsplit           1
 Momenta zeroed out, time            94199.80
+ acceleration/energy drift too large   14.4677753973564     
+   98.5575060815438       split increased to            2  itime      471512 
+  itsplit           1
 Momenta zeroed out, time            94399.80
- acceleration/energy drift too large   7.27057384468895     
-   23.9925958742321       split increased to            2  itime      472682 
+ acceleration/energy drift too large   8.62043742756168     
+   32.6227841189390       split increased to            2  itime      472161 
   itsplit           1
- acceleration/energy drift too large   3.14359383205238     
-   21.5133927611028       split increased to            2  itime      472896 
+ acceleration/energy drift too large   5.06309106360724     
+   16.2427839373481       split increased to            2  itime      472999 
   itsplit           1
 Momenta zeroed out, time            94599.80
- acceleration/energy drift too large   3.84515084877112     
-   11.6266325630565       split increased to            2  itime      473080 
+ acceleration/energy drift too large   4.30436852668374     
+   11.7719462369730       split increased to            2  itime      473584 
   itsplit           1
- acceleration/energy drift too large   4.83301196777217     
-   17.6562548772870       split increased to            2  itime      473221 
+ acceleration/energy drift too large   5.94867811579497     
+   28.0490904174191       split increased to            2  itime      473652 
   itsplit           1
 Momenta zeroed out, time            94799.80
- acceleration/energy drift too large   6.17864169052392     
-   29.8731861000547       split increased to            2  itime      474145 
-  itsplit           1
- acceleration/energy drift too large   3.49228081103612     
-   10.2436446038211       split increased to            2  itime      474781 
+ acceleration/energy drift too large   3.16056585698659     
+   21.0680883983546       split increased to            2  itime      474618 
   itsplit           1
 Momenta zeroed out, time            94999.80
+ acceleration/energy drift too large   10.7592228283037     
+   49.1789358125014       split increased to            2  itime      475320 
+  itsplit           1
 Momenta zeroed out, time            95199.80
- acceleration/energy drift too large   2.00703555158351     
-   13.4301836306085       split increased to            2  itime      476383 
+ acceleration/energy drift too large   11.0470772345949     
+   58.2647793220868       split increased to            2  itime      476781 
+  itsplit           1
+ acceleration/energy drift too large   3.41479428619190     
+   13.1211999431893       split increased to            2  itime      476940 
   itsplit           1
 Momenta zeroed out, time            95399.80
+ acceleration/energy drift too large   3.20119508715320     
+   11.0309392177079       split increased to            2  itime      477051 
+  itsplit           1
 Momenta zeroed out, time            95599.80
 Momenta zeroed out, time            95799.80
- acceleration/energy drift too large   3.57437272264072     
-   20.7946411000288       split increased to            2  itime      479629 
+ acceleration/energy drift too large   5.33207992221958     
+   12.0606816229252       split increased to            2  itime      479616 
+  itsplit           1
+ acceleration/energy drift too large   4.38543890021748     
+   11.8748039031620       split increased to            2  itime      479869 
   itsplit           1
 Velocities reset to random values, time            95999.80
 Momenta zeroed out, time            95999.80
+ acceleration/energy drift too large   4.89197424310461     
+   12.1833115771249       split increased to            2  itime      480936 
+  itsplit           1
 Momenta zeroed out, time            96199.80
 Momenta zeroed out, time            96399.80
 Momenta zeroed out, time            96599.80
- acceleration/energy drift too large   3.65641983578433     
-   10.3878786044023       split increased to            2  itime      483199 
+ acceleration/energy drift too large   6.81095249025459     
+   21.7877270497901       split increased to            2  itime      483648 
   itsplit           1
 Momenta zeroed out, time            96799.80
- acceleration/energy drift too large   2.76998231861212     
-   10.0383109098330       split increased to            2  itime      484012 
-  itsplit           1
- acceleration/energy drift too large   4.16584602945039     
-   11.3597005160708       split increased to            2  itime      484652 
+ acceleration/energy drift too large   4.17216530161613     
+   12.6293040293626       split increased to            2  itime      484595 
   itsplit           1
- acceleration/energy drift too large   2.46019333902782     
-   15.0234909774746       split increased to            2  itime      484790 
+ acceleration/energy drift too large   6.23194315960801     
+   17.4857350132362       split increased to            2  itime      484982 
   itsplit           1
 Momenta zeroed out, time            96999.80
 Momenta zeroed out, time            97199.80
+ acceleration/energy drift too large   2.98299017789078     
+   14.1384486408794       split increased to            2  itime      486767 
+  itsplit           1
 Momenta zeroed out, time            97399.80
+ acceleration/energy drift too large   4.84512408439344     
+   24.6047635786350       split increased to            2  itime      487928 
+  itsplit           1
 Momenta zeroed out, time            97599.80
- acceleration/energy drift too large   4.57391387737583     
-   10.9284655540046       split increased to            2  itime      488003 
+ acceleration/energy drift too large   4.20534229900564     
+   12.7833858443266       split increased to            2  itime      488417 
   itsplit           1
- acceleration/energy drift too large   4.32992229919672     
-   19.2150456313397       split increased to            2  itime      488420 
+ acceleration/energy drift too large   4.43284738150858     
+   17.8773293675634       split increased to            2  itime      488943 
   itsplit           1
 Momenta zeroed out, time            97799.80
+ acceleration/energy drift too large   5.53507646910065     
+   14.3502922690981       split increased to            2  itime      489264 
+  itsplit           1
 Velocities reset to random values, time            97999.80
 Momenta zeroed out, time            97999.80
- acceleration/energy drift too large   6.32914169237323     
-   12.1581500596111       split increased to            2  itime      490995 
+ acceleration/energy drift too large   3.07271064670327     
+   18.0854554834272       split increased to            2  itime      490425 
   itsplit           1
-Momenta zeroed out, time            98199.80
- acceleration/energy drift too large   6.38913499204015     
-   15.0078847535578       split increased to            2  itime      491223 
+ acceleration/energy drift too large   3.84552794980097     
+   10.7330238721579       split increased to            2  itime      490489 
   itsplit           1
- acceleration/energy drift too large   4.62397917666912     
-   20.7669021503001       split increased to            2  itime      491436 
+Momenta zeroed out, time            98199.80
+ acceleration/energy drift too large   6.29187892016454     
+   30.4511371267581       split increased to            2  itime      491836 
   itsplit           1
 Momenta zeroed out, time            98399.80
- acceleration/energy drift too large   5.60312928416879     
-   37.2990646168309       split increased to            2  itime      492152 
+ acceleration/energy drift too large   3.97841877944254     
+   15.5035285525859       split increased to            2  itime      492156 
+  itsplit           1
+ acceleration/energy drift too large   4.78879504961417     
+   16.5738409435749       split increased to            2  itime      492865 
   itsplit           1
- acceleration/energy drift too large   6.43437873166542     
-   26.1248040935576       split increased to            2  itime      492594 
+ acceleration/energy drift too large   1.51309950131899     
+   13.3928598962328       split increased to            2  itime      492866 
   itsplit           1
 Momenta zeroed out, time            98599.80
- acceleration/energy drift too large   7.64465479298744     
-   18.5431434682788       split increased to            2  itime      493754 
+ acceleration/energy drift too large   3.79461724358561     
+   13.7823568454807       split increased to            2  itime      493133 
   itsplit           1
-Momenta zeroed out, time            98799.80
- acceleration/energy drift too large   3.13778374780577     
-   17.4792696781222       split increased to            2  itime      494559 
+ acceleration/energy drift too large   5.47416860728745     
+   13.8931101827409       split increased to            2  itime      493780 
   itsplit           1
+Momenta zeroed out, time            98799.80
 Momenta zeroed out, time            98999.80
 Momenta zeroed out, time            99199.80
- acceleration/energy drift too large   8.20183106735318     
-   30.8510436920494       split increased to            2  itime      496321 
-  itsplit           1
- acceleration/energy drift too large   6.27310968247862     
-   16.8586310187593       split increased to            2  itime      496420 
+ acceleration/energy drift too large   2.94004551512649     
+   15.0491691165393       split increased to            2  itime      496539 
   itsplit           1
 Momenta zeroed out, time            99399.80
- acceleration/energy drift too large   15.5471824561035     
-   90.8827250107074       split increased to            2  itime      497049 
-  itsplit           1
- acceleration/energy drift too large   5.02314604926822     
-   14.0424560254316       split increased to            2  itime      497116 
-  itsplit           1
 Momenta zeroed out, time            99599.80
 Momenta zeroed out, time            99799.80
- acceleration/energy drift too large   2.43714461836580     
-   18.0641631576029       split increased to            2  itime      499858 
+ acceleration/energy drift too large   3.84508775778104     
+   11.9038269143670       split increased to            2  itime      499050 
   itsplit           1
 Velocities reset to random values, time            99999.80
 Momenta zeroed out, time            99999.80
-Momenta zeroed out, time           100199.80
- acceleration/energy drift too large   4.89993350072447     
-   13.2369981160900       split increased to            2  itime      501154 
+ acceleration/energy drift too large   6.63208798629855     
+   31.8519101359800       split increased to            2  itime      500077 
   itsplit           1
- acceleration/energy drift too large   7.71814947070082     
-   37.6957244998630       split increased to            2  itime      501358 
+ acceleration/energy drift too large   4.74662366685918     
+   12.6386838070020       split increased to            2  itime      500114 
   itsplit           1
- acceleration/energy drift too large   8.02381505058631     
-   38.1071802322097       split increased to            2  itime      501662 
+ acceleration/energy drift too large   3.82379555005056     
+   10.9829363199183       split increased to            2  itime      500543 
   itsplit           1
- acceleration/energy drift too large   7.80319870580333     
-   28.3319333096605       split increased to            2  itime      501873 
+ acceleration/energy drift too large   10.6959311939999     
+   48.8067650890428       split increased to            2  itime      500681 
   itsplit           1
-Momenta zeroed out, time           100399.80
- acceleration/energy drift too large   5.76668191250274     
-   13.0387958324183       split increased to            2  itime      502106 
+ acceleration/energy drift too large   5.18812929422940     
+   21.3662043247911       split increased to            2  itime      500805 
+  itsplit           1
+Momenta zeroed out, time           100199.80
+ acceleration/energy drift too large   6.12768734950912     
+   39.7117109602557       split increased to            2  itime      501710 
   itsplit           1
- acceleration/energy drift too large   5.78746928136188     
-   14.0897862522988       split increased to            2  itime      502618 
+ acceleration/energy drift too large   6.35366996910706     
+   31.0000859262355       split increased to            2  itime      501788 
   itsplit           1
+Momenta zeroed out, time           100399.80
 Momenta zeroed out, time           100599.80
- acceleration/energy drift too large   3.84301526561595     
-   15.5673039796599       split increased to            2  itime      503867 
+ acceleration/energy drift too large   6.27587665826797     
+   12.5374480981183       split increased to            2  itime      503174 
+  itsplit           1
+ acceleration/energy drift too large   6.09298748527495     
+   15.9257722550095       split increased to            2  itime      503426 
   itsplit           1
 Momenta zeroed out, time           100799.80
+ acceleration/energy drift too large   4.25481735334705     
+   11.4239138798910       split increased to            2  itime      504725 
+  itsplit           1
 Momenta zeroed out, time           100999.80
- acceleration/energy drift too large   4.41671806762880     
-   17.9995094807187       split increased to            2  itime      505498 
+ acceleration/energy drift too large   4.33053594078585     
+   14.4719224772227       split increased to            2  itime      505795 
   itsplit           1
 Momenta zeroed out, time           101199.80
+ acceleration/energy drift too large   4.38181204651199     
+   11.2304207288336       split increased to            2  itime      506266 
+  itsplit           1
 Momenta zeroed out, time           101399.80
- acceleration/energy drift too large   5.84784534946190     
-   15.7821320614771       split increased to            2  itime      507740 
+ acceleration/energy drift too large   5.77031892714953     
+   19.5300181850921       split increased to            2  itime      507444 
   itsplit           1
-Momenta zeroed out, time           101599.80
- acceleration/energy drift too large   3.98416065509741     
-   20.4395288222895       split increased to            2  itime      508128 
+ acceleration/energy drift too large   4.62393077875514     
+   14.9515116996761       split increased to            2  itime      507589 
   itsplit           1
- acceleration/energy drift too large   5.00395501727337     
-   28.8296479680403       split increased to            2  itime      508411 
+Momenta zeroed out, time           101599.80
+ acceleration/energy drift too large   4.00226066639612     
+   11.1604040153741       split increased to            2  itime      508158 
   itsplit           1
 Momenta zeroed out, time           101799.80
- acceleration/energy drift too large   4.42523251973588     
-   10.1717221220725       split increased to            2  itime      509104 
-  itsplit           1
- acceleration/energy drift too large   3.58851701590484     
-   11.3641482879501       split increased to            2  itime      509458 
-  itsplit           1
- acceleration/energy drift too large   6.37704202550790     
-   35.2434599108556       split increased to            2  itime      509954 
+ acceleration/energy drift too large   3.17100021025665     
+   20.5635285329765       split increased to            2  itime      509006 
   itsplit           1
 Velocities reset to random values, time           101999.80
 Momenta zeroed out, time           101999.80
 Momenta zeroed out, time           102199.80
- acceleration/energy drift too large   10.5501315092785     
-   55.0213974432035       split increased to            2  itime      511451 
+ acceleration/energy drift too large   4.52020472455689     
+   18.1883059767035       split increased to            2  itime      511333 
   itsplit           1
 Momenta zeroed out, time           102399.80
- acceleration/energy drift too large   5.72308068477306     
-   30.9514923498377       split increased to            2  itime      512063 
+ acceleration/energy drift too large   13.1350464101116     
+   58.4059141266390       split increased to            2  itime      512513 
+  itsplit           1
+ acceleration/energy drift too large   2.30711412646158     
+   12.8614361833453       split increased to            4  itime      512513 
   itsplit           1
- acceleration/energy drift too large   5.89290905254260     
-   25.4259804367764       split increased to            2  itime      512769 
+ acceleration/energy drift too large   4.76742267190498     
+   24.9764809866593       split increased to            2  itime      512598 
   itsplit           1
 Momenta zeroed out, time           102599.80
- acceleration/energy drift too large   5.12537869049023     
-   12.7275569854147       split increased to            2  itime      513409 
+ acceleration/energy drift too large   5.17577979477858     
+   12.7872713587971       split increased to            2  itime      513551 
+  itsplit           1
+ acceleration/energy drift too large   6.44800707306677     
+   14.8277938585278       split increased to            2  itime      513877 
   itsplit           1
 Momenta zeroed out, time           102799.80
- acceleration/energy drift too large   9.83627259424508     
-   46.6295565287968       split increased to            2  itime      514542 
+ acceleration/energy drift too large   7.37842111595536     
+   13.8912590266941       split increased to            2  itime      514139 
+  itsplit           1
+ acceleration/energy drift too large   5.43597651127115     
+   23.9502242781973       split increased to            2  itime      514304 
   itsplit           1
 Momenta zeroed out, time           102999.80
- acceleration/energy drift too large   8.15680723102316     
-   27.3984722143381       split increased to            2  itime      515004 
+ acceleration/energy drift too large   4.57240072720085     
+   13.8146522635503       split increased to            2  itime      515258 
   itsplit           1
- acceleration/energy drift too large   11.9862816166272     
-   50.6075202680953       split increased to            2  itime      515124 
+ acceleration/energy drift too large   1.66456889511725     
+   15.3608315267926       split increased to            2  itime      515259 
   itsplit           1
 Momenta zeroed out, time           103199.80
- acceleration/energy drift too large   3.76018300537633     
-   11.6974364902661       split increased to            2  itime      516831 
-  itsplit           1
 Momenta zeroed out, time           103399.80
- acceleration/energy drift too large   4.32988182338060     
-   10.8888145188436       split increased to            2  itime      517519 
-  itsplit           1
 Momenta zeroed out, time           103599.80
- acceleration/energy drift too large   8.11112051640341     
-   20.7784908962657       split increased to            2  itime      518933 
-  itsplit           1
 Momenta zeroed out, time           103799.80
+ acceleration/energy drift too large   7.39250298046238     
+   18.8619932339402       split increased to            2  itime      519457 
+  itsplit           1
+ acceleration/energy drift too large   10.4720705058556     
+   52.4741393322212       split increased to            2  itime      519529 
+  itsplit           1
+ acceleration/energy drift too large   5.40750425425500     
+   10.1859635640158       split increased to            2  itime      519530 
+  itsplit           1
 Velocities reset to random values, time           103999.80
 Momenta zeroed out, time           103999.80
-Momenta zeroed out, time           104199.80
- acceleration/energy drift too large   2.80695710244158     
-   18.4853814601167       split increased to            2  itime      521177 
+ acceleration/energy drift too large   4.35846781086581     
+   15.5890345415175       split increased to            2  itime      520635 
+  itsplit           1
+ acceleration/energy drift too large   4.14673107902784     
+   10.3267897220777       split increased to            2  itime      520808 
   itsplit           1
+ acceleration/energy drift too large   6.39869891898305     
+   13.1933853459132       split increased to            2  itime      520886 
+  itsplit           1
+Momenta zeroed out, time           104199.80
 Momenta zeroed out, time           104399.80
- acceleration/energy drift too large   3.06735563433662     
-   11.6216173024646       split increased to            2  itime      522877 
+ acceleration/energy drift too large   6.20449949884101     
+   27.0978659721628       split increased to            2  itime      522010 
   itsplit           1
-Momenta zeroed out, time           104599.80
- acceleration/energy drift too large   4.96523423689331     
-   14.6419903644768       split increased to            2  itime      523026 
+ acceleration/energy drift too large   4.58289955900818     
+   22.7487146037736       split increased to            2  itime      522821 
   itsplit           1
- acceleration/energy drift too large   9.69384357920230     
-   57.8928946668908       split increased to            2  itime      523327 
+Momenta zeroed out, time           104599.80
+ acceleration/energy drift too large   5.74018465205798     
+   43.0204338540247       split increased to            2  itime      523423 
   itsplit           1
- acceleration/energy drift too large   1.56494318908523     
-   15.3109342399554       split increased to            2  itime      523328 
+ acceleration/energy drift too large   1.74958158380373     
+   17.3379189230418       split increased to            2  itime      523424 
   itsplit           1
 Momenta zeroed out, time           104799.80
- acceleration/energy drift too large   6.51263835375932     
-   31.2964458816995       split increased to            2  itime      524188 
+ acceleration/energy drift too large   3.74196787670626     
+   16.7310117246332       split increased to            2  itime      524257 
   itsplit           1
-Momenta zeroed out, time           104999.80
- acceleration/energy drift too large   2.75724043148944     
-   16.5381168422977       split increased to            2  itime      525150 
+ acceleration/energy drift too large   6.72349469537865     
+   43.0387935152799       split increased to            2  itime      524765 
   itsplit           1
-Momenta zeroed out, time           105199.80
- acceleration/energy drift too large   6.01779721155876     
-   18.2148816907452       split increased to            2  itime      526952 
+Momenta zeroed out, time           104999.80
+ acceleration/energy drift too large   4.19323786014459     
+   10.2051624786339       split increased to            2  itime      525329 
   itsplit           1
-Momenta zeroed out, time           105399.80
- acceleration/energy drift too large   4.86900299075697     
-   24.5498902118948       split increased to            2  itime      527253 
+ acceleration/energy drift too large   3.31439713374723     
+   11.9669637411027       split increased to            2  itime      525438 
   itsplit           1
- acceleration/energy drift too large   14.6582534844249     
-   101.503127992509       split increased to            2  itime      527606 
+ acceleration/energy drift too large   2.73379179979303     
+   13.8334728394770       split increased to            2  itime      525883 
   itsplit           1
- acceleration/energy drift too large   5.86278276037087     
-   17.8518953538959       split increased to            2  itime      527788 
+Momenta zeroed out, time           105199.80
+Momenta zeroed out, time           105399.80
+ acceleration/energy drift too large   3.85786159254616     
+   13.2955726707336       split increased to            2  itime      527854 
   itsplit           1
 Momenta zeroed out, time           105599.80
- acceleration/energy drift too large   6.57646559842960     
-   30.0878340760183       split increased to            2  itime      528059 
-  itsplit           1
- acceleration/energy drift too large   6.68888134609305     
-   28.3066707025116       split increased to            2  itime      528398 
-  itsplit           1
 Momenta zeroed out, time           105799.80
- acceleration/energy drift too large   9.40344177746133     
-   34.3769823810218       split increased to            2  itime      529136 
-  itsplit           1
 Velocities reset to random values, time           105999.80
 Momenta zeroed out, time           105999.80
- acceleration/energy drift too large   1.76464536629356     
-   11.3853886777793       split increased to            2  itime      530730 
-  itsplit           1
 Momenta zeroed out, time           106199.80
- acceleration/energy drift too large   4.15419453150072     
-   21.3511737297162       split increased to            2  itime      531464 
+ acceleration/energy drift too large   4.58083562486114     
+   24.4121819600854       split increased to            2  itime      531342 
   itsplit           1
- acceleration/energy drift too large   3.64101554519532     
-   15.1952216065733       split increased to            2  itime      531597 
+ acceleration/energy drift too large   6.60431905436445     
+   24.4636609668235       split increased to            2  itime      531369 
   itsplit           1
- acceleration/energy drift too large   6.49620303492599     
-   17.3206322808490       split increased to            2  itime      531624 
+ acceleration/energy drift too large   6.73532952010290     
+   16.6204877027913       split increased to            2  itime      531507 
   itsplit           1
 Momenta zeroed out, time           106399.80
- acceleration/energy drift too large   10.3935443653070     
-   51.1550662339634       split increased to            2  itime      532303 
-  itsplit           1
- acceleration/energy drift too large   6.28607521132835     
-   33.3862120849090       split increased to            2  itime      532599 
-  itsplit           1
- acceleration/energy drift too large   5.27937247809460     
-   31.9514873995324       split increased to            2  itime      532668 
-  itsplit           1
- acceleration/energy drift too large   4.07218994559731     
-   12.0516893844683       split increased to            2  itime      532669 
-  itsplit           1
 Momenta zeroed out, time           106599.80
- acceleration/energy drift too large   4.05771034976108     
-   15.6041520759794       split increased to            2  itime      533486 
+ acceleration/energy drift too large   4.15795828123600     
+   26.4696890281007       split increased to            2  itime      533172 
   itsplit           1
- acceleration/energy drift too large   4.05705100850292     
-   18.2656652820221       split increased to            2  itime      533660 
-  itsplit           1
- acceleration/energy drift too large   10.2000796386521     
-   51.6300714090263       split increased to            2  itime      533869 
+ acceleration/energy drift too large   5.50050063822439     
+   19.1338645985626       split increased to            2  itime      533953 
   itsplit           1
 Momenta zeroed out, time           106799.80
- acceleration/energy drift too large   3.97564747063043     
-   10.2943716179731       split increased to            2  itime      534260 
-  itsplit           1
 Momenta zeroed out, time           106999.80
- acceleration/energy drift too large   11.3557807646138     
-   62.8753114455988       split increased to            2  itime      535093 
-  itsplit           1
- acceleration/energy drift too large   2.58413733036679     
-   13.2247228716631       split increased to            4  itime      535093 
-  itsplit           2
- acceleration/energy drift too large   2.85145730496577     
-   15.8758181506055       split increased to            2  itime      535595 
-  itsplit           1
- acceleration/energy drift too large   8.54918708006291     
-   24.0556838533178       split increased to            2  itime      535748 
+ acceleration/energy drift too large   5.21157613309263     
+   29.1507906482669       split increased to            2  itime      535464 
   itsplit           1
 Momenta zeroed out, time           107199.80
- acceleration/energy drift too large   10.3629025614332     
-   45.0590351541291       split increased to            2  itime      536107 
+ acceleration/energy drift too large   5.47918094707431     
+   18.7322646135869       split increased to            2  itime      536033 
   itsplit           1
 Momenta zeroed out, time           107399.80
 Momenta zeroed out, time           107599.80
- acceleration/energy drift too large   5.47478293919763     
-   20.2699476000687       split increased to            2  itime      538887 
+ acceleration/energy drift too large   3.12490382272047     
+   10.8028958684245       split increased to            2  itime      538325 
   itsplit           1
 Momenta zeroed out, time           107799.80
- acceleration/energy drift too large   9.52853361891002     
-   40.6727979541164       split increased to            2  itime      539044 
+ acceleration/energy drift too large   4.62662386841443     
+   16.1005495777161       split increased to            2  itime      539244 
+  itsplit           1
+ acceleration/energy drift too large   5.09354950474471     
+   14.1499077560845       split increased to            2  itime      539289 
   itsplit           1
- acceleration/energy drift too large   7.33661837276698     
-   10.5386684122011       split increased to            2  itime      539842 
+ acceleration/energy drift too large   8.55408990990578     
+   34.1547178938265       split increased to            2  itime      539628 
   itsplit           1
 Velocities reset to random values, time           107999.80
 Momenta zeroed out, time           107999.80
- acceleration/energy drift too large   10.7013095462076     
-   46.7531365617785       split increased to            2  itime      540524 
+Momenta zeroed out, time           108199.80
+ acceleration/energy drift too large   4.82765638058293     
+   14.0484430083573       split increased to            2  itime      541872 
   itsplit           1
- acceleration/energy drift too large   5.34522555564912     
-   14.0405295300013       split increased to            2  itime      540697 
+ acceleration/energy drift too large   8.77467896016026     
+   32.0294843628760       split increased to            2  itime      541951 
   itsplit           1
-Momenta zeroed out, time           108199.80
 Momenta zeroed out, time           108399.80
-Momenta zeroed out, time           108599.80
- acceleration/energy drift too large   3.92319957166574     
-   18.7518958162915       split increased to            2  itime      543395 
+ acceleration/energy drift too large   3.66163758846830     
+   15.3410021191084       split increased to            2  itime      542543 
+  itsplit           1
+ acceleration/energy drift too large   8.17669538252998     
+   35.7589907896092       split increased to            2  itime      542999 
   itsplit           1
- acceleration/energy drift too large   4.68559794466147     
-   24.0855123324563       split increased to            2  itime      543961 
+Momenta zeroed out, time           108599.80
+ acceleration/energy drift too large   6.31429026638194     
+   19.9718578267923       split increased to            2  itime      543384 
   itsplit           1
 Momenta zeroed out, time           108799.80
- acceleration/energy drift too large   4.87786441350967     
-   32.1122504868659       split increased to            2  itime      544899 
+ acceleration/energy drift too large   10.5106768577192     
+   52.4791799502672       split increased to            2  itime      544218 
   itsplit           1
 Momenta zeroed out, time           108999.80
-Momenta zeroed out, time           109199.80
- acceleration/energy drift too large   5.43334611923282     
-   27.7001528691498       split increased to            2  itime      546469 
+ acceleration/energy drift too large   4.35453477424778     
+   17.4355222150015       split increased to            2  itime      545332 
   itsplit           1
- acceleration/energy drift too large   8.72095715441608     
-   23.7534160753028       split increased to            2  itime      546500 
-  itsplit           1
- acceleration/energy drift too large   3.37815199627126     
-   15.1190084333045       split increased to            2  itime      546685 
+ acceleration/energy drift too large   2.50114239193474     
+   10.6527306431511       split increased to            2  itime      545889 
   itsplit           1
+Momenta zeroed out, time           109199.80
 Momenta zeroed out, time           109399.80
 Momenta zeroed out, time           109599.80
- acceleration/energy drift too large   4.58794710514745     
-   16.1113538086947       split increased to            2  itime      548282 
+ acceleration/energy drift too large   5.40764952996222     
+   12.7845279365424       split increased to            2  itime      548131 
   itsplit           1
- acceleration/energy drift too large   8.62565313240607     
-   21.4790723374096       split increased to            2  itime      548801 
+ acceleration/energy drift too large   6.09423836895769     
+   11.0403437486267       split increased to            2  itime      548448 
   itsplit           1
 Momenta zeroed out, time           109799.80
- acceleration/energy drift too large   5.19261253449528     
-   12.1500541374714       split increased to            2  itime      549106 
+ acceleration/energy drift too large   6.20847145285182     
+   17.7540985464934       split increased to            2  itime      549840 
   itsplit           1
 Velocities reset to random values, time           109999.80
 Momenta zeroed out, time           109999.80
 Momenta zeroed out, time           110199.80
- acceleration/energy drift too large   5.06263121069146     
-   14.0333689560840       split increased to            2  itime      551039 
+ acceleration/energy drift too large   2.67792278062096     
+   16.2568775700813       split increased to            2  itime      551291 
   itsplit           1
-Momenta zeroed out, time           110399.80
- acceleration/energy drift too large   4.96956166285283     
-   38.6281809378735       split increased to            2  itime      552509 
-  itsplit           1
- acceleration/energy drift too large   5.24968108906010     
-   20.9123398000965       split increased to            2  itime      552529 
-  itsplit           1
- acceleration/energy drift too large   3.99955858425562     
-   11.5212402649619       split increased to            2  itime      552984 
+ acceleration/energy drift too large   1.74844404234395     
+   11.7717789023679       split increased to            2  itime      551949 
   itsplit           1
+Momenta zeroed out, time           110399.80
 Momenta zeroed out, time           110599.80
- acceleration/energy drift too large   4.83611201032535     
-   10.2118659881236       split increased to            2  itime      553036 
+ acceleration/energy drift too large   5.40414564570825     
+   29.9677100131952       split increased to            2  itime      553246 
   itsplit           1
- acceleration/energy drift too large   6.13589900772055     
-   35.4229595173742       split increased to            2  itime      553552 
+ acceleration/energy drift too large   10.4304531915924     
+   45.3671450924352       split increased to            2  itime      553475 
   itsplit           1
- acceleration/energy drift too large   4.20736721569034     
-   15.2296547824747       split increased to            2  itime      553806 
-  itsplit           1
- acceleration/energy drift too large   3.42899176851903     
-   12.5552845888238       split increased to            2  itime      553953 
+ acceleration/energy drift too large   2.56992053732296     
+   11.0085278354688       split increased to            4  itime      553475 
+  itsplit           2
+ acceleration/energy drift too large   5.83604193080286     
+   35.0843264562389       split increased to            2  itime      553685 
   itsplit           1
 Momenta zeroed out, time           110799.80
- acceleration/energy drift too large   6.35257235459231     
-   16.6328415303804       split increased to            2  itime      554005 
+ acceleration/energy drift too large   5.11728470738059     
+   17.5204164270002       split increased to            2  itime      554077 
   itsplit           1
- acceleration/energy drift too large   4.82359806374852     
-   11.0927197912470       split increased to            2  itime      554489 
+ acceleration/energy drift too large   5.55323362679606     
+   33.1171261254342       split increased to            2  itime      554203 
   itsplit           1
- acceleration/energy drift too large   23.1862038673280     
-   159.795980340395       split increased to            2  itime      554720 
+ acceleration/energy drift too large   5.87466492866466     
+   12.8712907581617       split increased to            2  itime      554570 
   itsplit           1
- acceleration/energy drift too large   9.33574259072465     
-   34.4529375074656       split increased to            2  itime      554873 
+ acceleration/energy drift too large   3.41922100369045     
+   12.4111587465143       split increased to            2  itime      554711 
   itsplit           1
 Momenta zeroed out, time           110999.80
- acceleration/energy drift too large   3.88342536415830     
-   11.7742830446688       split increased to            2  itime      555296 
-  itsplit           1
- acceleration/energy drift too large   5.49524587223759     
-   31.9959152378101       split increased to            2  itime      555970 
+ acceleration/energy drift too large   4.61428749531713     
+   25.2686017515276       split increased to            2  itime      555531 
   itsplit           1
 Momenta zeroed out, time           111199.80
- acceleration/energy drift too large   5.32571116043199     
-   27.0529065069526       split increased to            2  itime      556553 
-  itsplit           1
- acceleration/energy drift too large   3.94910679207211     
-   10.4608156738169       split increased to            2  itime      556554 
+ acceleration/energy drift too large   5.89047426455880     
+   19.3089606053526       split increased to            2  itime      556478 
   itsplit           1
 Momenta zeroed out, time           111399.80
- acceleration/energy drift too large   3.04871353156816     
-   12.0984928616188       split increased to            2  itime      557014 
+ acceleration/energy drift too large   3.75152617746088     
+   12.0576277571126       split increased to            2  itime      557435 
   itsplit           1
- acceleration/energy drift too large   5.03261226674067     
-   13.0129462060988       split increased to            2  itime      557579 
+ acceleration/energy drift too large   4.94161688013167     
+   29.8729398638098       split increased to            2  itime      557828 
   itsplit           1
-Momenta zeroed out, time           111599.80
-Momenta zeroed out, time           111799.80
- acceleration/energy drift too large   3.97672589284783     
-   16.2923648515377       split increased to            2  itime      559635 
+ acceleration/energy drift too large   7.06472723431867     
+   13.7687665918507       split increased to            2  itime      557896 
   itsplit           1
-Velocities reset to random values, time           111999.80
-Momenta zeroed out, time           111999.80
-Momenta zeroed out, time           112199.80
- acceleration/energy drift too large   2.16247669022912     
-   11.5148896407928       split increased to            2  itime      561316 
+Momenta zeroed out, time           111599.80
+ acceleration/energy drift too large   2.10865251083472     
+   14.6892574241826       split increased to            2  itime      558054 
   itsplit           1
- acceleration/energy drift too large   4.00379938970424     
-   24.1201186121261       split increased to            2  itime      561448 
+ acceleration/energy drift too large   6.61613294570162     
+   41.6755389882931       split increased to            2  itime      558129 
   itsplit           1
- acceleration/energy drift too large   10.7686882493329     
-   53.7738648877330       split increased to            2  itime      561472 
+ acceleration/energy drift too large   2.31485120729109     
+   11.2522981496304       split increased to            2  itime      558189 
   itsplit           1
- acceleration/energy drift too large   2.42842727302640     
-   11.4469451107772       split increased to            4  itime      561472 
-  itsplit           2
- acceleration/energy drift too large   4.85114993032591     
-   29.4413539035481       split increased to            2  itime      561644 
+ acceleration/energy drift too large   6.24361448177252     
+   36.0855051578850       split increased to            2  itime      558711 
   itsplit           1
- acceleration/energy drift too large   5.68264319214569     
-   24.3137897947705       split increased to            2  itime      561753 
+Momenta zeroed out, time           111799.80
+ acceleration/energy drift too large   4.90010540698752     
+   25.3405231978297       split increased to            2  itime      559770 
   itsplit           1
+Velocities reset to random values, time           111999.80
+Momenta zeroed out, time           111999.80
+Momenta zeroed out, time           112199.80
 Momenta zeroed out, time           112399.80
- acceleration/energy drift too large   3.72315078740814     
-   11.4345800450749       split increased to            2  itime      562642 
+ acceleration/energy drift too large   3.98187534705427     
+   17.9663101315674       split increased to            2  itime      562223 
+  itsplit           1
+ acceleration/energy drift too large   2.67082941489118     
+   18.2165021442646       split increased to            2  itime      562627 
   itsplit           1
- acceleration/energy drift too large   5.88743929911785     
-   32.8650231373883       split increased to            2  itime      562918 
+ acceleration/energy drift too large   19.1025293807872     
+   153.690483049860       split increased to            2  itime      562949 
   itsplit           1
 Momenta zeroed out, time           112599.80
+ acceleration/energy drift too large   3.67651017341298     
+   12.6959479559010       split increased to            2  itime      563148 
+  itsplit           1
 Momenta zeroed out, time           112799.80
- acceleration/energy drift too large   9.11791540015951     
-   39.0545571569084       split increased to            2  itime      564772 
+ acceleration/energy drift too large   5.81075696173812     
+   31.1427923769492       split increased to            2  itime      564323 
   itsplit           1
 Momenta zeroed out, time           112999.80
- acceleration/energy drift too large   5.19115678265670     
-   18.0393286042163       split increased to            2  itime      565412 
-  itsplit           1
 Momenta zeroed out, time           113199.80
-Momenta zeroed out, time           113399.80
- acceleration/energy drift too large   7.26357511668964     
-   23.5654919316119       split increased to            2  itime      567172 
-  itsplit           1
- acceleration/energy drift too large   4.54686285665409     
-   15.4987136245825       split increased to            2  itime      567234 
-  itsplit           1
- acceleration/energy drift too large   3.44966217546671     
-   11.0349959862554       split increased to            2  itime      567258 
+ acceleration/energy drift too large   3.45682809364473     
+   11.7135681165302       split increased to            2  itime      566512 
   itsplit           1
+Momenta zeroed out, time           113399.80
 Momenta zeroed out, time           113599.80
- acceleration/energy drift too large   9.12242735194000     
-   39.4684275847394       split increased to            2  itime      568003 
-  itsplit           1
 Momenta zeroed out, time           113799.80
- acceleration/energy drift too large   16.3378767282826     
-   104.901229715401       split increased to            2  itime      569203 
-  itsplit           1
-Velocities reset to random values, time           113999.80
-Momenta zeroed out, time           113999.80
- acceleration/energy drift too large   3.99252150445798     
-   12.3225587422871       split increased to            2  itime      570630 
-  itsplit           1
-Momenta zeroed out, time           114199.80
-Momenta zeroed out, time           114399.80
- acceleration/energy drift too large   6.25068401131169     
-   26.9481503301856       split increased to            2  itime      572091 
+ acceleration/energy drift too large   5.22115310058109     
+   14.3360437460714       split increased to            2  itime      569154 
   itsplit           1
- acceleration/energy drift too large   6.39361465864131     
-   10.7708673065425       split increased to            2  itime      572457 
+ acceleration/energy drift too large   2.28257352820658     
+   12.9313953275484       split increased to            2  itime      569332 
   itsplit           1
-Momenta zeroed out, time           114599.80
- acceleration/energy drift too large   3.75956694318634     
-   20.7562819326710       split increased to            2  itime      573109 
+ acceleration/energy drift too large   2.65056584953628     
+   13.8851019534538       split increased to            2  itime      569963 
   itsplit           1
- acceleration/energy drift too large   4.58503065868244     
-   19.4644152249889       split increased to            2  itime      573202 
+Velocities reset to random values, time           113999.80
+Momenta zeroed out, time           113999.80
+ acceleration/energy drift too large   3.08187434339330     
+   10.8969852176755       split increased to            2  itime      570224 
   itsplit           1
- acceleration/energy drift too large   4.25245505614949     
-   22.9046045718852       split increased to            2  itime      573409 
+ acceleration/energy drift too large   1.93170941549489     
+   12.2192015821362       split increased to            2  itime      570225 
   itsplit           1
- acceleration/energy drift too large   4.17294325245247     
-   21.4684502253805       split increased to            2  itime      573410 
+ acceleration/energy drift too large   2.63649239444299     
+   10.5168281034095       split increased to            2  itime      570551 
   itsplit           1
- acceleration/energy drift too large   5.82901669207627     
-   15.2663509181199       split increased to            2  itime      573547 
+ acceleration/energy drift too large   4.67126986714043     
+   24.1027666436610       split increased to            2  itime      570913 
   itsplit           1
+Momenta zeroed out, time           114199.80
+Momenta zeroed out, time           114399.80
+Momenta zeroed out, time           114599.80
 Momenta zeroed out, time           114799.80
+ acceleration/energy drift too large   5.04833539312874     
+   10.6058541550342       split increased to            2  itime      574332 
+  itsplit           1
 Momenta zeroed out, time           114999.80
 Momenta zeroed out, time           115199.80
-Momenta zeroed out, time           115399.80
- acceleration/energy drift too large   5.54812647323687     
-   19.9202417513894       split increased to            2  itime      577643 
+ acceleration/energy drift too large   6.24291594603549     
+   28.6859937564038       split increased to            2  itime      576793 
   itsplit           1
+Momenta zeroed out, time           115399.80
 Momenta zeroed out, time           115599.80
- acceleration/energy drift too large   5.51684453995299     
-   13.9251859240014       split increased to            2  itime      578226 
-  itsplit           1
 Momenta zeroed out, time           115799.80
- acceleration/energy drift too large   5.88503813963810     
-   11.6194930943817       split increased to            2  itime      579789 
-  itsplit           1
 Velocities reset to random values, time           115999.80
 Momenta zeroed out, time           115999.80
- acceleration/energy drift too large   3.76729107426683     
-   10.0491213225526       split increased to            2  itime      580329 
-  itsplit           1
- acceleration/energy drift too large   6.73808178520498     
-   26.0734260882735       split increased to            2  itime      580652 
-  itsplit           1
- acceleration/energy drift too large   4.65321867278578     
-   12.0882894204594       split increased to            2  itime      580731 
-  itsplit           1
 Momenta zeroed out, time           116199.80
- acceleration/energy drift too large   5.53897262509894     
-   12.4192740359124       split increased to            2  itime      581328 
+ acceleration/energy drift too large   6.81248850554456     
+   31.3574381440629       split increased to            2  itime      581275 
   itsplit           1
-Momenta zeroed out, time           116399.80
- acceleration/energy drift too large   2.16597827582290     
-   16.7840565959295       split increased to            2  itime      582263 
+ acceleration/energy drift too large   4.46945586200322     
+   11.3227517564603       split increased to            2  itime      581403 
   itsplit           1
- acceleration/energy drift too large   10.4837777354802     
-   52.6887452513503       split increased to            2  itime      582868 
+Momenta zeroed out, time           116399.80
+ acceleration/energy drift too large   4.73956097629382     
+   27.0766431579574       split increased to            2  itime      582097 
   itsplit           1
- acceleration/energy drift too large   6.10835041231900     
-   18.1784399976885       split increased to            2  itime      582951 
+ acceleration/energy drift too large   5.32361013829043     
+   12.2109916152672       split increased to            2  itime      582675 
   itsplit           1
 Momenta zeroed out, time           116599.80
 Momenta zeroed out, time           116799.80
- acceleration/energy drift too large   5.69259251775206     
-   11.9918601000806       split increased to            2  itime      584492 
+ acceleration/energy drift too large   13.9677156238372     
+   86.3474165023977       split increased to            2  itime      584335 
   itsplit           1
-Momenta zeroed out, time           116999.80
- acceleration/energy drift too large   5.37526015644247     
-   19.7478413907501       split increased to            2  itime      585261 
+ acceleration/energy drift too large   6.66556088166815     
+   27.3138345985415       split increased to            2  itime      584349 
   itsplit           1
- acceleration/energy drift too large   5.15132534473859     
-   12.6823699800757       split increased to            2  itime      585885 
+ acceleration/energy drift too large   2.58856322301196     
+   11.4001963739795       split increased to            2  itime      584350 
   itsplit           1
+ acceleration/energy drift too large   5.69509535942729     
+   11.3684555117468       split increased to            2  itime      584375 
+  itsplit           1
+Momenta zeroed out, time           116999.80
 Momenta zeroed out, time           117199.80
- acceleration/energy drift too large   6.17371753628080     
-   19.7059334409787       split increased to            2  itime      586153 
+ acceleration/energy drift too large   8.16499217085735     
+   32.0038105465822       split increased to            2  itime      586076 
   itsplit           1
- acceleration/energy drift too large   5.05617315141734     
-   15.8181852239196       split increased to            2  itime      586328 
+ acceleration/energy drift too large   2.71195939170242     
+   16.3260266057495       split increased to            2  itime      586077 
   itsplit           1
- acceleration/energy drift too large   6.73669802614508     
-   14.5412357726847       split increased to            2  itime      586543 
+ acceleration/energy drift too large   5.31667565211431     
+   12.5856918824280       split increased to            2  itime      586464 
   itsplit           1
 Momenta zeroed out, time           117399.80
- acceleration/energy drift too large   6.15183363695099     
-   10.7156465955535       split increased to            2  itime      587430 
+ acceleration/energy drift too large   8.30365114527608     
+   20.3787260452584       split increased to            2  itime      587423 
   itsplit           1
- acceleration/energy drift too large   4.24998966113191     
-   14.9844525188130       split increased to            2  itime      587731 
+ acceleration/energy drift too large   3.85773833340925     
+   11.0866797067498       split increased to            2  itime      587424 
   itsplit           1
- acceleration/energy drift too large   10.7990943677397     
-   54.9656706124015       split increased to            2  itime      587843 
-  itsplit           1
- acceleration/energy drift too large   2.35207239011494     
-   10.4437520495593       split increased to            4  itime      587843 
-  itsplit           2
- acceleration/energy drift too large   3.94039127999555     
-   13.4944991934344       split increased to            2  itime      587998 
+ acceleration/energy drift too large   3.84650119574810     
+   11.6647293108312       split increased to            2  itime      587538 
   itsplit           1
 Momenta zeroed out, time           117599.80
- acceleration/energy drift too large   4.90966597077238     
-   12.6313071066878       split increased to            2  itime      588412 
-  itsplit           1
- acceleration/energy drift too large   4.48940615692763     
-   15.7386719383341       split increased to            2  itime      588911 
-  itsplit           1
- acceleration/energy drift too large   5.20983600925863     
-   10.7567806047759       split increased to            2  itime      588971 
-  itsplit           1
 Momenta zeroed out, time           117799.80
- acceleration/energy drift too large   4.50514531085743     
-   22.0421509702002       split increased to            2  itime      589679 
+ acceleration/energy drift too large   4.64706177139148     
+   15.5486393950213       split increased to            2  itime      589402 
+  itsplit           1
+ acceleration/energy drift too large   4.17514034963012     
+   15.6017992483964       split increased to            2  itime      589836 
   itsplit           1
 Velocities reset to random values, time           117999.80
 Momenta zeroed out, time           117999.80
- acceleration/energy drift too large   4.33900613722696     
-   20.7567251736790       split increased to            2  itime      590509 
+ acceleration/energy drift too large   3.20601732960495     
+   11.3894787861150       split increased to            2  itime      590221 
   itsplit           1
-Momenta zeroed out, time           118199.80
- acceleration/energy drift too large   5.20915177091588     
-   26.2255995986014       split increased to            2  itime      591183 
+ acceleration/energy drift too large   3.26574907346858     
+   10.6758425950485       split increased to            2  itime      590582 
   itsplit           1
- acceleration/energy drift too large   3.78693433138863     
-   11.4638033867399       split increased to            2  itime      591251 
+ acceleration/energy drift too large   14.1130949274469     
+   73.0820935510520       split increased to            2  itime      590618 
   itsplit           1
- acceleration/energy drift too large   3.38259855757778     
-   18.0128108655350       split increased to            2  itime      591525 
+Momenta zeroed out, time           118199.80
+ acceleration/energy drift too large   4.20463233288246     
+   12.2600551465250       split increased to            2  itime      591331 
   itsplit           1
 Momenta zeroed out, time           118399.80
+ acceleration/energy drift too large   8.81709664281270     
+   18.0241841015443       split increased to            2  itime      592232 
+  itsplit           1
+ acceleration/energy drift too large   4.05611153030630     
+   26.8365692301189       split increased to            2  itime      592383 
+  itsplit           1
+ acceleration/energy drift too large   3.16040504802896     
+   12.7613364066297       split increased to            2  itime      592433 
+  itsplit           1
+ acceleration/energy drift too large   6.21891593792104     
+   20.5678440676781       split increased to            2  itime      592990 
+  itsplit           1
 Momenta zeroed out, time           118599.80
+ acceleration/energy drift too large   10.3694257312666     
+   59.5562846863079       split increased to            2  itime      593492 
+  itsplit           1
 Momenta zeroed out, time           118799.80
- acceleration/energy drift too large   4.46965802091980     
-   14.1373072869128       split increased to            2  itime      594522 
+ acceleration/energy drift too large   3.20209474073467     
+   14.5694301888473       split increased to            2  itime      594038 
   itsplit           1
 Momenta zeroed out, time           118999.80
- acceleration/energy drift too large   3.78137554059334     
-   11.5095455498151       split increased to            2  itime      595468 
-  itsplit           1
 Momenta zeroed out, time           119199.80
 Momenta zeroed out, time           119399.80
- acceleration/energy drift too large   4.50004443502544     
-   13.4433602793355       split increased to            2  itime      597626 
-  itsplit           1
- acceleration/energy drift too large   8.31434280835202     
-   19.4062186196058       split increased to            2  itime      597694 
-  itsplit           1
- acceleration/energy drift too large   4.57029373039886     
-   17.3660162839407       split increased to            2  itime      597943 
+ acceleration/energy drift too large   5.26517755914717     
+   15.1186571548435       split increased to            2  itime      597275 
   itsplit           1
 Momenta zeroed out, time           119599.80
- acceleration/energy drift too large   6.32409088923519     
-   25.2872323653989       split increased to            2  itime      598904 
+ acceleration/energy drift too large   10.6051611523035     
+   43.6746989499313       split increased to            2  itime      598545 
+  itsplit           1
+ acceleration/energy drift too large   5.73846306505025     
+   30.6526164954030       split increased to            2  itime      598817 
   itsplit           1
 Momenta zeroed out, time           119799.80
- acceleration/energy drift too large   2.31118182823997     
-   13.4559996674252       split increased to            2  itime      599896 
+ acceleration/energy drift too large   3.22534425381114     
+   11.0246102186547       split increased to            2  itime      599115 
   itsplit           1
-Velocities reset to random values, time           119999.80
-Momenta zeroed out, time           119999.80
- acceleration/energy drift too large   4.75210199777198     
-   11.2627072121056       split increased to            2  itime      600466 
+ acceleration/energy drift too large   5.53253859258995     
+   38.0093759775692       split increased to            2  itime      599147 
   itsplit           1
- acceleration/energy drift too large   8.86535823526490     
-   38.2068878767968       split increased to            2  itime      600714 
+ acceleration/energy drift too large   5.39412442311211     
+   12.4448257679906       split increased to            2  itime      599657 
   itsplit           1
- acceleration/energy drift too large   2.24775520607355     
-   18.3650923798691       split increased to            2  itime      600715 
+Velocities reset to random values, time           119999.80
+Momenta zeroed out, time           119999.80
+ acceleration/energy drift too large   5.95542601330167     
+   16.3360196722383       split increased to            2  itime      600544 
   itsplit           1
 Momenta zeroed out, time           120199.80
- acceleration/energy drift too large   5.24596382307741     
-   15.5190734285219       split increased to            2  itime      601152 
-  itsplit           1
- acceleration/energy drift too large   5.69390181062807     
-   20.2414504283154       split increased to            2  itime      601663 
-  itsplit           1
 Momenta zeroed out, time           120399.80
- acceleration/energy drift too large   5.32042290695315     
-   20.2944900175252       split increased to            2  itime      602669 
-  itsplit           1
- acceleration/energy drift too large   6.06441200290446     
-   17.1584508590219       split increased to            2  itime      602852 
+ acceleration/energy drift too large   4.60285854865865     
+   18.9225355097298       split increased to            2  itime      602841 
   itsplit           1
 Momenta zeroed out, time           120599.80
- acceleration/energy drift too large   11.3739241532318     
-   50.1542053478737       split increased to            2  itime      603906 
+ acceleration/energy drift too large   10.9100411859079     
+   62.6716336643832       split increased to            2  itime      603234 
   itsplit           1
 Momenta zeroed out, time           120799.80
- acceleration/energy drift too large   4.89578234261129     
-   16.2904366095277       split increased to            2  itime      604295 
+ acceleration/energy drift too large   8.70292286144718     
+   35.5792193304175       split increased to            2  itime      604078 
   itsplit           1
- acceleration/energy drift too large   7.32082883347149     
-   22.7203771063592       split increased to            2  itime      604527 
+ acceleration/energy drift too large   4.34069498998166     
+   15.2180086706575       split increased to            2  itime      604453 
   itsplit           1
 Momenta zeroed out, time           120999.80
- acceleration/energy drift too large   7.29553301003753     
-   20.8632514571445       split increased to            2  itime      605740 
+ acceleration/energy drift too large   3.58583511867002     
+   13.1497213321157       split increased to            2  itime      605078 
+  itsplit           1
+ acceleration/energy drift too large   5.32887528528780     
+   27.1564986963986       split increased to            2  itime      605249 
   itsplit           1
 Momenta zeroed out, time           121199.80
+ acceleration/energy drift too large   4.03288050553239     
+   11.2827735022282       split increased to            2  itime      606161 
+  itsplit           1
 Momenta zeroed out, time           121399.80
- acceleration/energy drift too large   3.12635563875660     
-   11.6524800214744       split increased to            2  itime      607635 
+ acceleration/energy drift too large   3.92427579061631     
+   20.7511390903709       split increased to            2  itime      607126 
   itsplit           1
-Momenta zeroed out, time           121599.80
- acceleration/energy drift too large   10.4367637145405     
-   46.9838886138131       split increased to            2  itime      608157 
+ acceleration/energy drift too large   7.77129139548034     
+   28.9576614107994       split increased to            2  itime      607172 
+  itsplit           1
+ acceleration/energy drift too large   8.55794932260634     
+   38.6655402299235       split increased to            2  itime      607261 
   itsplit           1
+ acceleration/energy drift too large   4.70953283548962     
+   11.2791842937503       split increased to            2  itime      607577 
+  itsplit           1
+Momenta zeroed out, time           121599.80
 Momenta zeroed out, time           121799.80
- acceleration/energy drift too large   3.21269322827242     
-   17.9609627111617       split increased to            2  itime      609361 
+ acceleration/energy drift too large   4.49116779286294     
+   10.7460134897967       split increased to            2  itime      609152 
+  itsplit           1
+ acceleration/energy drift too large   6.61067772428560     
+   34.6318374070074       split increased to            2  itime      609265 
+  itsplit           1
+ acceleration/energy drift too large   13.0669793664025     
+   82.4613559438606       split increased to            2  itime      609879 
   itsplit           1
 Velocities reset to random values, time           121999.80
 Momenta zeroed out, time           121999.80
- acceleration/energy drift too large   6.32125647145639     
-   26.6663433149493       split increased to            2  itime      610253 
-  itsplit           1
 Momenta zeroed out, time           122199.80
- acceleration/energy drift too large   5.38969922661746     
-   16.0449566937947       split increased to            2  itime      611370 
-  itsplit           1
- acceleration/energy drift too large   12.7086822166989     
-   64.3339224551729       split increased to            2  itime      611964 
+ acceleration/energy drift too large   3.37017093712063     
+   10.5217014289605       split increased to            2  itime      611043 
   itsplit           1
- acceleration/energy drift too large   2.62415638716792     
-   10.7594745847105       split increased to            4  itime      611964 
-  itsplit           2
 Momenta zeroed out, time           122399.80
- acceleration/energy drift too large   3.69948663359536     
-   13.8129181190140       split increased to            2  itime      612580 
+ acceleration/energy drift too large   4.71799770442886     
+   20.2014842978923       split increased to            2  itime      612170 
   itsplit           1
 Momenta zeroed out, time           122599.80
- acceleration/energy drift too large   4.84815824312010     
-   20.2934596332811       split increased to            2  itime      613020 
-  itsplit           1
- acceleration/energy drift too large   5.55342149924540     
-   13.0959681844209       split increased to            2  itime      613670 
+ acceleration/energy drift too large   4.70321319313772     
+   12.1359561586759       split increased to            2  itime      613106 
   itsplit           1
 Momenta zeroed out, time           122799.80
- acceleration/energy drift too large   6.31141389668962     
-   20.7873260708250       split increased to            2  itime      614999 
-  itsplit           1
 Momenta zeroed out, time           122999.80
- acceleration/energy drift too large   4.53718966535152     
-   13.5481584662379       split increased to            2  itime      615227 
+ acceleration/energy drift too large   2.79555133713661     
+   17.2315082555548       split increased to            2  itime      615253 
   itsplit           1
-Momenta zeroed out, time           123199.80
- acceleration/energy drift too large   3.62006447569418     
-   16.8618112337905       split increased to            2  itime      616797 
+ acceleration/energy drift too large   4.77947987892594     
+   18.0139796937551       split increased to            2  itime      615461 
   itsplit           1
+ acceleration/energy drift too large   6.04696937863075     
+   27.5317136956140       split increased to            2  itime      615503 
+  itsplit           1
+Momenta zeroed out, time           123199.80
 Momenta zeroed out, time           123399.80
- acceleration/energy drift too large   3.23541394812261     
-   17.1682234080419       split increased to            2  itime      617070 
+ acceleration/energy drift too large   5.74185674971666     
+   14.8804527255626       split increased to            2  itime      617064 
   itsplit           1
- acceleration/energy drift too large   2.44473086266301     
-   13.9296478230955       split increased to            2  itime      617353 
+ acceleration/energy drift too large   5.84787532517791     
+   18.4107320590273       split increased to            2  itime      617756 
   itsplit           1
- acceleration/energy drift too large   16.3562276116985     
-   104.946903439769       split increased to            2  itime      617421 
+ acceleration/energy drift too large   5.59202238956779     
+   13.5669264638488       split increased to            2  itime      617970 
   itsplit           1
- acceleration/energy drift too large   6.74463022414032     
-   16.6862421009230       split increased to            2  itime      617448 
+Momenta zeroed out, time           123599.80
+ acceleration/energy drift too large   13.2558293867606     
+   87.0373151610890       split increased to            2  itime      618529 
   itsplit           1
- acceleration/energy drift too large   4.77565099419956     
-   16.4941940460542       split increased to            2  itime      617955 
+ acceleration/energy drift too large   3.70490205828975     
+   13.8188853624580       split increased to            2  itime      618882 
   itsplit           1
-Momenta zeroed out, time           123599.80
 Momenta zeroed out, time           123799.80
+ acceleration/energy drift too large   3.48265510153154     
+   21.4553858956432       split increased to            2  itime      619472 
+  itsplit           1
+ acceleration/energy drift too large   3.78996066169697     
+   13.0990383436710       split increased to            2  itime      619490 
+  itsplit           1
 Velocities reset to random values, time           123999.80
 Momenta zeroed out, time           123999.80
- acceleration/energy drift too large   4.86587004771046     
-   16.0049334724315       split increased to            2  itime      620399 
-  itsplit           1
- acceleration/energy drift too large   1.65676927291837     
-   12.4474952017808       split increased to            2  itime      620908 
+ acceleration/energy drift too large   3.58284074421733     
+   24.8149074029365       split increased to            2  itime      620215 
   itsplit           1
 Momenta zeroed out, time           124199.80
- acceleration/energy drift too large   2.35484944205352     
-   15.5371976113769       split increased to            2  itime      621360 
+ acceleration/energy drift too large   4.85352987351693     
+   27.9187079052482       split increased to            2  itime      621102 
   itsplit           1
 Momenta zeroed out, time           124399.80
- acceleration/energy drift too large   14.2123069319272     
-   79.0107294600218       split increased to            2  itime      622083 
-  itsplit           1
- acceleration/energy drift too large   3.20488224945924     
-   10.5857355155594       split increased to            2  itime      622739 
-  itsplit           1
 Momenta zeroed out, time           124599.80
- acceleration/energy drift too large   2.59671022684983     
-   11.7284591300784       split increased to            2  itime      623808 
+ acceleration/energy drift too large   6.76453028685994     
+   23.0577640970497       split increased to            2  itime      623458 
+  itsplit           1
+ acceleration/energy drift too large   1.99938603738895     
+   11.1679487002104       split increased to            2  itime      623459 
   itsplit           1
 Momenta zeroed out, time           124799.80
 Momenta zeroed out, time           124999.80
+ acceleration/energy drift too large   5.00168705675855     
+   23.3324917285403       split increased to            2  itime      625232 
+  itsplit           1
+ acceleration/energy drift too large   7.84484835143841     
+   18.5068423432016       split increased to            2  itime      625243 
+  itsplit           1
 Momenta zeroed out, time           125199.80
- acceleration/energy drift too large   7.72492072723571     
-   29.5339267840578       split increased to            2  itime      626983 
+ acceleration/energy drift too large   6.25211184200423     
+   21.6847974383161       split increased to            2  itime      626923 
   itsplit           1
 Momenta zeroed out, time           125399.80
- acceleration/energy drift too large   2.52438067664558     
-   14.6598631115695       split increased to            2  itime      627472 
+ acceleration/energy drift too large   5.32432354716592     
+   26.3117809740915       split increased to            2  itime      627141 
   itsplit           1
- acceleration/energy drift too large   4.36558755953709     
-   18.3756234956372       split increased to            2  itime      627755 
-  itsplit           1
- acceleration/energy drift too large   7.80338058134430     
-   25.4966562460471       split increased to            2  itime      627871 
+ acceleration/energy drift too large   4.96512210639538     
+   11.4791473088914       split increased to            2  itime      627495 
   itsplit           1
 Momenta zeroed out, time           125599.80
- acceleration/energy drift too large   10.9878082122904     
-   64.3569760867350       split increased to            2  itime      628241 
+ acceleration/energy drift too large   9.70609217174982     
+   41.2625209985686       split increased to            2  itime      628455 
   itsplit           1
-Momenta zeroed out, time           125799.80
- acceleration/energy drift too large   3.71472186696350     
-   17.0048600320279       split increased to            2  itime      629082 
+ acceleration/energy drift too large   6.09844010059083     
+   11.2620272091583       split increased to            2  itime      628472 
   itsplit           1
- acceleration/energy drift too large   5.96806840402495     
-   17.4330608475770       split increased to            2  itime      629157 
+ acceleration/energy drift too large   5.58334081501089     
+   12.9355832623423       split increased to            2  itime      628821 
+  itsplit           1
+Momenta zeroed out, time           125799.80
+ acceleration/energy drift too large   14.0138364652808     
+   91.5293837765628       split increased to            2  itime      629783 
   itsplit           1
 Velocities reset to random values, time           125999.80
 Momenta zeroed out, time           125999.80
- acceleration/energy drift too large   2.83886482625327     
-   11.7513246881452       split increased to            2  itime      630643 
+ acceleration/energy drift too large   3.37012308270156     
+   14.2453363095715       split increased to            2  itime      630862 
+  itsplit           1
+ acceleration/energy drift too large   4.50120482562706     
+   15.6901481978898       split increased to            2  itime      630937 
   itsplit           1
 Momenta zeroed out, time           126199.80
- acceleration/energy drift too large   4.80863860391275     
-   15.3320143933406       split increased to            2  itime      631084 
+ acceleration/energy drift too large   4.89827624397865     
+   10.0574613011188       split increased to            2  itime      631867 
   itsplit           1
 Momenta zeroed out, time           126399.80
- acceleration/energy drift too large   5.71934326918320     
-   18.9691593394970       split increased to            2  itime      632419 
-  itsplit           1
- acceleration/energy drift too large   4.60205468916072     
-   12.1640992125766       split increased to            2  itime      632656 
-  itsplit           1
- acceleration/energy drift too large   5.26016576758065     
-   10.6316973591650       split increased to            2  itime      632752 
+ acceleration/energy drift too large   5.51441376454116     
+   27.3971124662177       split increased to            2  itime      632024 
   itsplit           1
 Momenta zeroed out, time           126599.80
- acceleration/energy drift too large   4.70583875914974     
-   16.6386848465847       split increased to            2  itime      633025 
+ acceleration/energy drift too large   5.38707828113511     
+   12.9835190794034       split increased to            2  itime      633470 
   itsplit           1
 Momenta zeroed out, time           126799.80
+ acceleration/energy drift too large   4.78790803410640     
+   11.0322929753131       split increased to            2  itime      634337 
+  itsplit           1
 Momenta zeroed out, time           126999.80
- acceleration/energy drift too large   5.47334586749179     
-   23.1153894882919       split increased to            2  itime      635392 
+ acceleration/energy drift too large   6.63437286313291     
+   30.5330962561458       split increased to            2  itime      635130 
   itsplit           1
- acceleration/energy drift too large   5.86248446980290     
-   24.2172247769862       split increased to            2  itime      635857 
+ acceleration/energy drift too large   6.87848426805978     
+   36.5250922855660       split increased to            2  itime      635219 
   itsplit           1
 Momenta zeroed out, time           127199.80
-Momenta zeroed out, time           127399.80
-Momenta zeroed out, time           127599.80
- acceleration/energy drift too large   12.6192326062359     
-   79.3352343114800       split increased to            2  itime      638061 
+ acceleration/energy drift too large   4.34002030608213     
+   18.5074579239446       split increased to            2  itime      636059 
   itsplit           1
- acceleration/energy drift too large   2.55660287181001     
-   13.6295345825203       split increased to            4  itime      638061 
+ acceleration/energy drift too large   5.70627503150456     
+   22.2063308766069       split increased to            2  itime      636234 
   itsplit           1
- acceleration/energy drift too large   5.73404828457441     
-   12.5088636472463       split increased to            2  itime      638878 
+ acceleration/energy drift too large   5.40141888227686     
+   22.1062666556640       split increased to            2  itime      636608 
   itsplit           1
-Momenta zeroed out, time           127799.80
- acceleration/energy drift too large   4.88161904255045     
-   19.5830138305009       split increased to            2  itime      639625 
+Momenta zeroed out, time           127399.80
+ acceleration/energy drift too large   2.54115912472378     
+   20.1418011416195       split increased to            2  itime      637067 
   itsplit           1
+ acceleration/energy drift too large   4.51427873848656     
+   14.7468919676556       split increased to            2  itime      637785 
+  itsplit           1
+Momenta zeroed out, time           127599.80
+ acceleration/energy drift too large   2.07605817353883     
+   11.1549483833856       split increased to            2  itime      638455 
+  itsplit           1
+ acceleration/energy drift too large   3.98747009434191     
+   16.7334887601733       split increased to            2  itime      638481 
+  itsplit           1
+Momenta zeroed out, time           127799.80
 Velocities reset to random values, time           127999.80
 Momenta zeroed out, time           127999.80
- acceleration/energy drift too large   6.12804099913579     
-   16.0276287098937       split increased to            2  itime      640676 
-  itsplit           1
 Momenta zeroed out, time           128199.80
- acceleration/energy drift too large   3.18195215296110     
-   15.2425088808803       split increased to            2  itime      641613 
+ acceleration/energy drift too large   10.9751509381160     
+   50.9243392708706       split increased to            2  itime      641186 
   itsplit           1
- acceleration/energy drift too large   4.89750258566104     
-   17.1954744596066       split increased to            2  itime      641828 
+ acceleration/energy drift too large   2.67278937249816     
+   11.8830557206575       split increased to            4  itime      641186 
+  itsplit           2
+ acceleration/energy drift too large   3.04167660234475     
+   19.1296654238812       split increased to            2  itime      641729 
   itsplit           1
 Momenta zeroed out, time           128399.80
- acceleration/energy drift too large   3.19133789349082     
-   13.6191015487276       split increased to            2  itime      642322 
-  itsplit           1
- acceleration/energy drift too large   4.27595665470441     
-   14.0392831013953       split increased to            2  itime      642738 
+ acceleration/energy drift too large   5.70207070122570     
+   14.1830962745444       split increased to            2  itime      642836 
   itsplit           1
 Momenta zeroed out, time           128599.80
- acceleration/energy drift too large   5.44288765317387     
-   21.4458238041784       split increased to            2  itime      643078 
-  itsplit           1
- acceleration/energy drift too large   7.84205824452436     
-   27.7806677819848       split increased to            2  itime      643971 
+ acceleration/energy drift too large   6.65384225914066     
+   14.2602649838877       split increased to            2  itime      643007 
   itsplit           1
 Momenta zeroed out, time           128799.80
 Momenta zeroed out, time           128999.80
-Momenta zeroed out, time           129199.80
- acceleration/energy drift too large   4.09380636632265     
-   10.8451071043427       split increased to            2  itime      646448 
+ acceleration/energy drift too large   6.26703750268559     
+   14.0237584668712       split increased to            2  itime      645187 
+  itsplit           1
+ acceleration/energy drift too large   4.91350397959603     
+   25.8095865235581       split increased to            2  itime      645799 
   itsplit           1
- acceleration/energy drift too large   6.81474078914944     
-   20.0757508959438       split increased to            2  itime      646705 
+ acceleration/energy drift too large   4.55809112139375     
+   17.2653582320697       split increased to            2  itime      645975 
   itsplit           1
- acceleration/energy drift too large   4.40118641862529     
-   10.6261662050205       split increased to            2  itime      646917 
+Momenta zeroed out, time           129199.80
+ acceleration/energy drift too large   5.88953182191796     
+   24.4175097462279       split increased to            2  itime      646189 
   itsplit           1
 Momenta zeroed out, time           129399.80
- acceleration/energy drift too large   2.93763101789009     
-   10.0279929938890       split increased to            2  itime      647114 
+ acceleration/energy drift too large   6.21018916570362     
+   13.9220658565079       split increased to            2  itime      647024 
   itsplit           1
- acceleration/energy drift too large   3.72547666989644     
-   10.4842158072362       split increased to            2  itime      647346 
+ acceleration/energy drift too large   5.28628342828089     
+   12.5467687687002       split increased to            2  itime      647052 
   itsplit           1
 Momenta zeroed out, time           129599.80
- acceleration/energy drift too large   5.90868076212652     
-   11.9752376891939       split increased to            2  itime      648030 
-  itsplit           1
- acceleration/energy drift too large   5.54134447708742     
-   22.3546737887902       split increased to            2  itime      648172 
-  itsplit           1
- acceleration/energy drift too large   4.82837716016329     
-   14.0897258786092       split increased to            2  itime      648398 
-  itsplit           1
- acceleration/energy drift too large   10.5743669709955     
-   52.6261232722831       split increased to            2  itime      648722 
+Momenta zeroed out, time           129799.80
+ acceleration/energy drift too large   4.92765489054761     
+   15.4752621292441       split increased to            2  itime      649536 
   itsplit           1
- acceleration/energy drift too large   4.45920982033090     
-   10.7055206562650       split increased to            2  itime      648986 
+ acceleration/energy drift too large   5.35199766228471     
+   12.8797943833982       split increased to            2  itime      649957 
   itsplit           1
-Momenta zeroed out, time           129799.80
 Velocities reset to random values, time           129999.80
 Momenta zeroed out, time           129999.80
- acceleration/energy drift too large   3.41498757786195     
-   14.0068467174378       split increased to            2  itime      650184 
+ acceleration/energy drift too large   5.82771853869909     
+   22.5788669805095       split increased to            2  itime      650781 
+  itsplit           1
+ acceleration/energy drift too large   6.98773998011595     
+   15.0109854708234       split increased to            2  itime      650829 
   itsplit           1
 Momenta zeroed out, time           130199.80
- acceleration/energy drift too large   3.18768805809708     
-   11.9576969029406       split increased to            2  itime      651382 
+ acceleration/energy drift too large   3.71046625323079     
+   15.4601799348989       split increased to            2  itime      651177 
   itsplit           1
 Momenta zeroed out, time           130399.80
+ acceleration/energy drift too large   13.2994772400791     
+   73.1684509917666       split increased to            2  itime      652903 
+  itsplit           1
 Momenta zeroed out, time           130599.80
 Momenta zeroed out, time           130799.80
- acceleration/energy drift too large   6.48894131424556     
-   39.6047117820202       split increased to            2  itime      654889 
-  itsplit           1
- acceleration/energy drift too large   5.06596378340907     
-   24.7073803507268       split increased to            2  itime      654983 
+ acceleration/energy drift too large   3.93185312947540     
+   12.0501609066217       split increased to            2  itime      654749 
   itsplit           1
 Momenta zeroed out, time           130999.80
 Momenta zeroed out, time           131199.80
- acceleration/energy drift too large   4.76251696147286     
-   12.7845384595761       split increased to            2  itime      656158 
-  itsplit           1
- acceleration/energy drift too large   2.41727361832125     
-   17.5259898091375       split increased to            2  itime      656610 
-  itsplit           1
- acceleration/energy drift too large   4.74103997118585     
-   25.7213541652941       split increased to            2  itime      656870 
-  itsplit           1
 Momenta zeroed out, time           131399.80
+ acceleration/energy drift too large   3.63342696047146     
+   10.5528223985509       split increased to            2  itime      657579 
+  itsplit           1
 Momenta zeroed out, time           131599.80
- acceleration/energy drift too large   6.76077652675487     
-   30.0334060947415       split increased to            2  itime      658697 
+ acceleration/energy drift too large   3.96597221723217     
+   12.4817878689542       split increased to            2  itime      658031 
   itsplit           1
-Momenta zeroed out, time           131799.80
-Velocities reset to random values, time           131999.80
-Momenta zeroed out, time           131999.80
- acceleration/energy drift too large   4.94053504752585     
-   10.6138274484200       split increased to            2  itime      660103 
+ acceleration/energy drift too large   4.79439077329366     
+   20.8830347547619       split increased to            2  itime      658658 
   itsplit           1
- acceleration/energy drift too large   4.03632174897823     
-   14.8042194895837       split increased to            2  itime      660255 
+ acceleration/energy drift too large   3.94053599676777     
+   14.5939771474245       split increased to            2  itime      658763 
   itsplit           1
-Momenta zeroed out, time           132199.80
- acceleration/energy drift too large   3.72706684283267     
-   26.5562638199148       split increased to            2  itime      661057 
+ acceleration/energy drift too large   5.22956733549364     
+   11.6584952193427       split increased to            2  itime      658915 
   itsplit           1
- acceleration/energy drift too large  0.797471173869658     
-   11.0116968588671       split increased to            2  itime      661231 
+Momenta zeroed out, time           131799.80
+ acceleration/energy drift too large   5.31369788744753     
+   18.5846518593157       split increased to            2  itime      659057 
   itsplit           1
- acceleration/energy drift too large   3.20823271993286     
-   11.4760757317006       split increased to            2  itime      661234 
+ acceleration/energy drift too large   2.71882189189116     
+   10.0442691474416       split increased to            2  itime      659060 
   itsplit           1
- acceleration/energy drift too large   7.90636417952611     
-   10.0783693017693       split increased to            2  itime      661551 
+ acceleration/energy drift too large   6.60654520644438     
+   26.0391685834815       split increased to            2  itime      659451 
   itsplit           1
- acceleration/energy drift too large   7.04850205549991     
-   20.8040143269640       split increased to            2  itime      661728 
+Velocities reset to random values, time           131999.80
+Momenta zeroed out, time           131999.80
+Momenta zeroed out, time           132199.80
+ acceleration/energy drift too large   1.91204714679597     
+   10.8089433026934       split increased to            2  itime      661666 
   itsplit           1
 Momenta zeroed out, time           132399.80
- acceleration/energy drift too large   4.87499268708569     
-   17.9377909623234       split increased to            2  itime      662230 
+ acceleration/energy drift too large   10.6306518646280     
+   58.9639430563406       split increased to            2  itime      662744 
+  itsplit           1
+ acceleration/energy drift too large   2.94991729232857     
+   17.0397383000284       split increased to            4  itime      662744 
   itsplit           1
 Momenta zeroed out, time           132599.80
- acceleration/energy drift too large   5.73780849635928     
-   17.2438195701058       split increased to            2  itime      663360 
+ acceleration/energy drift too large   10.3585695367542     
+   51.7381616706153       split increased to            2  itime      663581 
   itsplit           1
+ acceleration/energy drift too large   2.63466802354847     
+   14.8874415080015       split increased to            4  itime      663581 
+  itsplit           2
 Momenta zeroed out, time           132799.80
-Momenta zeroed out, time           132999.80
- acceleration/energy drift too large   2.47507827986063     
-   10.7444626637816       split increased to            2  itime      665271 
+ acceleration/energy drift too large   7.55580005219060     
+   24.9279570398147       split increased to            2  itime      664069 
   itsplit           1
- acceleration/energy drift too large   5.26143616877835     
-   16.8868033679689       split increased to            2  itime      665420 
+Momenta zeroed out, time           132999.80
+ acceleration/energy drift too large   5.12951815069727     
+   11.8770844582255       split increased to            2  itime      665547 
   itsplit           1
- acceleration/energy drift too large   8.77341461302821     
-   40.1353663448299       split increased to            2  itime      665543 
+ acceleration/energy drift too large   6.70244580731336     
+   23.7859651753031       split increased to            2  itime      665648 
   itsplit           1
 Momenta zeroed out, time           133199.80
- acceleration/energy drift too large   10.0902673087496     
-   38.4209158610651       split increased to            2  itime      666442 
+ acceleration/energy drift too large   3.66937206865209     
+   12.4167471047929       split increased to            2  itime      666393 
   itsplit           1
 Momenta zeroed out, time           133399.80
- acceleration/energy drift too large   9.01267192569726     
-   30.8533007671834       split increased to            2  itime      667367 
-  itsplit           1
- acceleration/energy drift too large   2.57889192252475     
-   11.3800679762033       split increased to            2  itime      667564 
-  itsplit           1
 Momenta zeroed out, time           133599.80
- acceleration/energy drift too large   8.46370597180361     
-   28.3263736855609       split increased to            2  itime      668068 
+ acceleration/energy drift too large   9.46948236987941     
+   52.6049280496969       split increased to            2  itime      668679 
   itsplit           1
- acceleration/energy drift too large   5.57483274856510     
-   16.9999880410637       split increased to            2  itime      668426 
+ acceleration/energy drift too large   2.65397922158786     
+   10.6257968949194       split increased to            2  itime      668772 
   itsplit           1
 Momenta zeroed out, time           133799.80
- acceleration/energy drift too large   3.71028209818224     
-   24.1405121856846       split increased to            2  itime      669495 
+ acceleration/energy drift too large   5.36423524268192     
+   21.3380247623837       split increased to            2  itime      669172 
   itsplit           1
- acceleration/energy drift too large   4.59888370258412     
-   12.8166865106531       split increased to            2  itime      669604 
+ acceleration/energy drift too large   6.26420739695451     
+   22.1028023377106       split increased to            2  itime      669999 
   itsplit           1
 Velocities reset to random values, time           133999.80
 Momenta zeroed out, time           133999.80
- acceleration/energy drift too large   5.77455595656946     
-   14.1697168721813       split increased to            2  itime      670740 
-  itsplit           1
-Momenta zeroed out, time           134199.80
- acceleration/energy drift too large   9.98879544955632     
-   48.3244473309180       split increased to            2  itime      671508 
+ acceleration/energy drift too large   10.6309366294430     
+   51.0665374843811       split increased to            2  itime      670152 
   itsplit           1
- acceleration/energy drift too large   3.63295104360622     
-   26.2112273630219       split increased to            2  itime      671898 
+ acceleration/energy drift too large   6.34353353018598     
+   45.3196176628270       split increased to            2  itime      670367 
   itsplit           1
+Momenta zeroed out, time           134199.80
 Momenta zeroed out, time           134399.80
- acceleration/energy drift too large   4.55709061373787     
-   12.7867609597460       split increased to            2  itime      672170 
+ acceleration/energy drift too large   9.58026158194099     
+   38.9728702191225       split increased to            2  itime      672124 
   itsplit           1
 Momenta zeroed out, time           134599.80
- acceleration/energy drift too large   2.71038307585246     
-   18.0272413342008       split increased to            2  itime      673471 
-  itsplit           1
- acceleration/energy drift too large   9.31343607480395     
-   37.2584444209402       split increased to            2  itime      673686 
-  itsplit           1
 Momenta zeroed out, time           134799.80
- acceleration/energy drift too large   5.87808647928506     
-   26.0025582827762       split increased to            2  itime      674710 
+ acceleration/energy drift too large   6.55195944231350     
+   17.1870888026305       split increased to            2  itime      674694 
   itsplit           1
 Momenta zeroed out, time           134999.80
+ acceleration/energy drift too large   7.10962356494247     
+   26.6922163776317       split increased to            2  itime      675022 
+  itsplit           1
+ acceleration/energy drift too large   4.83578711131850     
+   11.5173239815020       split increased to            2  itime      675457 
+  itsplit           1
 Momenta zeroed out, time           135199.80
- acceleration/energy drift too large   5.73489475013971     
-   16.6269422422345       split increased to            2  itime      676165 
+ acceleration/energy drift too large   8.11569376089371     
+   31.2483537803696       split increased to            2  itime      676281 
   itsplit           1
-Momenta zeroed out, time           135399.80
- acceleration/energy drift too large   5.98502114863105     
-   15.1027593066925       split increased to            2  itime      677141 
+ acceleration/energy drift too large   6.64574678946904     
+   27.7312155887656       split increased to            2  itime      676907 
   itsplit           1
- acceleration/energy drift too large   5.21211323099038     
-   28.1496155003099       split increased to            2  itime      677300 
+ acceleration/energy drift too large   7.04162921249591     
+   14.5683720740810       split increased to            2  itime      676917 
   itsplit           1
-Momenta zeroed out, time           135599.80
- acceleration/energy drift too large   8.73230755263813     
-   38.3347707235043       split increased to            2  itime      678210 
+Momenta zeroed out, time           135399.80
+ acceleration/energy drift too large   5.02468480025372     
+   15.4227732918282       split increased to            2  itime      677414 
   itsplit           1
- acceleration/energy drift too large   3.04056334807718     
-   10.9309556833891       split increased to            2  itime      678211 
+ acceleration/energy drift too large   7.25495339009474     
+   25.3705436518917       split increased to            2  itime      677973 
   itsplit           1
- acceleration/energy drift too large   4.87832346485504     
-   30.6558366692057       split increased to            2  itime      678230 
+ acceleration/energy drift too large   3.54872105718674     
+   14.1188944274831       split increased to            2  itime      677974 
   itsplit           1
-Momenta zeroed out, time           135799.80
- acceleration/energy drift too large   4.60486369322173     
-   10.9726661290786       split increased to            2  itime      679033 
+ acceleration/energy drift too large   5.74133239945334     
+   13.2013726933761       split increased to            2  itime      677999 
   itsplit           1
- acceleration/energy drift too large   5.60606923950114     
-   12.0399798204004       split increased to            2  itime      679142 
+Momenta zeroed out, time           135599.80
+ acceleration/energy drift too large   3.62465932307874     
+   19.6657947389434       split increased to            2  itime      678470 
   itsplit           1
- acceleration/energy drift too large   10.0746001403580     
-   47.2119187895845       split increased to            2  itime      679509 
+ acceleration/energy drift too large   3.63035027843903     
+   13.9836395683116       split increased to            2  itime      678935 
   itsplit           1
+Momenta zeroed out, time           135799.80
 Velocities reset to random values, time           135999.80
 Momenta zeroed out, time           135999.80
- acceleration/energy drift too large   4.22932726715008     
-   14.3646223286998       split increased to            2  itime      680211 
+ acceleration/energy drift too large   6.98730609027280     
+   23.4861168834791       split increased to            2  itime      680190 
   itsplit           1
- acceleration/energy drift too large   2.48938387270879     
-   10.7776094493488       split increased to            2  itime      680212 
-  itsplit           1
- acceleration/energy drift too large   2.65260437706231     
-   12.3494876611916       split increased to            2  itime      680401 
-  itsplit           1
- acceleration/energy drift too large   4.26109816768479     
-   10.8575695732508       split increased to            2  itime      680846 
+Momenta zeroed out, time           136199.80
+ acceleration/energy drift too large   4.50922773887438     
+   19.3016956289103       split increased to            2  itime      681337 
   itsplit           1
- acceleration/energy drift too large   7.59127018870544     
-   26.7411605423550       split increased to            2  itime      680946 
+ acceleration/energy drift too large   4.88339486047197     
+   13.0181078784327       split increased to            2  itime      681521 
   itsplit           1
-Momenta zeroed out, time           136199.80
 Momenta zeroed out, time           136399.80
-Momenta zeroed out, time           136599.80
- acceleration/energy drift too large   2.96169222571994     
-   16.9200565445447       split increased to            2  itime      683425 
-  itsplit           1
- acceleration/energy drift too large   3.91925732424117     
-   25.2766362979470       split increased to            2  itime      683662 
+ acceleration/energy drift too large   3.92593260964850     
+   17.1165412773346       split increased to            2  itime      682421 
   itsplit           1
+Momenta zeroed out, time           136599.80
 Momenta zeroed out, time           136799.80
- acceleration/energy drift too large   5.36129987234780     
-   17.2169265964957       split increased to            2  itime      684676 
-  itsplit           1
- acceleration/energy drift too large   3.61526778906949     
-   11.9593052719647       split increased to            2  itime      684919 
+ acceleration/energy drift too large   3.60628326113892     
+   21.1409946604825       split increased to            2  itime      684820 
   itsplit           1
 Momenta zeroed out, time           136999.80
- acceleration/energy drift too large   5.86728309688999     
-   12.5930332890273       split increased to            2  itime      685021 
-  itsplit           1
- acceleration/energy drift too large   4.81072375160364     
-   20.6300901046591       split increased to            2  itime      685256 
+ acceleration/energy drift too large   5.27298544157036     
+   15.4541999554671       split increased to            2  itime      685236 
   itsplit           1
 Momenta zeroed out, time           137199.80
 Momenta zeroed out, time           137399.80
+ acceleration/energy drift too large   5.51142553579527     
+   13.1161872084947       split increased to            2  itime      687348 
+  itsplit           1
+ acceleration/energy drift too large   3.90434730441867     
+   10.9655074854611       split increased to            2  itime      687815 
+  itsplit           1
 Momenta zeroed out, time           137599.80
- acceleration/energy drift too large   4.80288683067402     
-   27.0072520250606       split increased to            2  itime      688607 
+ acceleration/energy drift too large   7.56523263868812     
+   49.9738818239422       split increased to            2  itime      688724 
   itsplit           1
 Momenta zeroed out, time           137799.80
- acceleration/energy drift too large   2.45674073646763     
-   14.0814654954791       split increased to            2  itime      689130 
+ acceleration/energy drift too large   6.89910231346824     
+   18.3018138864210       split increased to            2  itime      689127 
   itsplit           1
 Velocities reset to random values, time           137999.80
 Momenta zeroed out, time           137999.80
- acceleration/energy drift too large   2.38513201090311     
-   12.3761322543406       split increased to            2  itime      690506 
+ acceleration/energy drift too large   3.97453659557434     
+   29.3113078444301       split increased to            2  itime      690692 
   itsplit           1
 Momenta zeroed out, time           138199.80
-Momenta zeroed out, time           138399.80
- acceleration/energy drift too large   6.95972464020457     
-   25.0335918181826       split increased to            2  itime      692121 
+ acceleration/energy drift too large   3.40800880994440     
+   13.5264383873888       split increased to            2  itime      691603 
   itsplit           1
- acceleration/energy drift too large   7.11641508426518     
-   19.4959181613674       split increased to            2  itime      692257 
-  itsplit           1
- acceleration/energy drift too large   5.78136691193248     
-   18.2855341250439       split increased to            2  itime      692886 
+ acceleration/energy drift too large   3.59626591359820     
+   13.2511409797255       split increased to            2  itime      691961 
   itsplit           1
+Momenta zeroed out, time           138399.80
 Momenta zeroed out, time           138599.80
 Momenta zeroed out, time           138799.80
- acceleration/energy drift too large   8.50663705352322     
-   20.0809282249995       split increased to            2  itime      694081 
+ acceleration/energy drift too large   4.52784220444873     
+   16.9138032480128       split increased to            2  itime      694284 
   itsplit           1
-Momenta zeroed out, time           138999.80
- acceleration/energy drift too large   2.53915607888903     
-   12.5631711155568       split increased to            2  itime      695740 
+ acceleration/energy drift too large   3.59219920805098     
+   11.7202869698157       split increased to            2  itime      694528 
   itsplit           1
-Momenta zeroed out, time           139199.80
- acceleration/energy drift too large   4.00025219546111     
-   13.0314341771569       split increased to            2  itime      696163 
+ acceleration/energy drift too large   6.76932563448766     
+   10.2647633587088       split increased to            2  itime      694963 
+  itsplit           1
+Momenta zeroed out, time           138999.80
+ acceleration/energy drift too large   3.88763605921965     
+   11.0652433396658       split increased to            2  itime      695541 
   itsplit           1
- acceleration/energy drift too large   4.90393217300103     
-   22.5495742810317       split increased to            2  itime      696210 
+ acceleration/energy drift too large   8.79491160087030     
+   16.0405296644086       split increased to            2  itime      695882 
   itsplit           1
- acceleration/energy drift too large   4.95858958777199     
-   13.1816598252251       split increased to            2  itime      696238 
+Momenta zeroed out, time           139199.80
+ acceleration/energy drift too large   7.64389119813304     
+   26.2418078441650       split increased to            2  itime      696876 
   itsplit           1
 Momenta zeroed out, time           139399.80
 Momenta zeroed out, time           139599.80
-Momenta zeroed out, time           139799.80
- acceleration/energy drift too large   7.67950424298838     
-   15.5192165898847       split increased to            2  itime      699091 
-  itsplit           1
- acceleration/energy drift too large   2.77032140264055     
-   14.4319494753145       split increased to            2  itime      699291 
+ acceleration/energy drift too large   3.67282252409908     
+   14.4356677762444       split increased to            2  itime      698251 
   itsplit           1
- acceleration/energy drift too large   3.01625936485930     
-   12.1756249268282       split increased to            2  itime      699847 
-  itsplit           1
- acceleration/energy drift too large   4.36372367040195     
-   15.2114481318562       split increased to            2  itime      699933 
+Momenta zeroed out, time           139799.80
+ acceleration/energy drift too large   9.70684662750459     
+   37.9268564396933       split increased to            2  itime      699854 
   itsplit           1
 Velocities reset to random values, time           139999.80
 Momenta zeroed out, time           139999.80
- acceleration/energy drift too large   3.09067669690093     
-   10.1765750137061       split increased to            2  itime      700397 
+ acceleration/energy drift too large   3.27608564577758     
+   13.4755176440422       split increased to            2  itime      700195 
   itsplit           1
- acceleration/energy drift too large   3.04051818923551     
-   10.0415715217405       split increased to            2  itime      700406 
+ acceleration/energy drift too large   5.47329898631481     
+   35.2188641769297       split increased to            2  itime      700537 
   itsplit           1
-Momenta zeroed out, time           140199.80
- acceleration/energy drift too large   6.82147505862867     
-   20.7228856485069       split increased to            2  itime      701345 
+ acceleration/energy drift too large   5.20432834093803     
+   13.6861339746344       split increased to            2  itime      700979 
   itsplit           1
+Momenta zeroed out, time           140199.80
 Momenta zeroed out, time           140399.80
- acceleration/energy drift too large   2.95296092975204     
-   10.0398620400417       split increased to            2  itime      702489 
-  itsplit           1
- acceleration/energy drift too large   4.12880409752738     
-   21.6544023179304       split increased to            2  itime      702492 
+ acceleration/energy drift too large   5.33655778860844     
+   27.6088990590439       split increased to            2  itime      702040 
   itsplit           1
- acceleration/energy drift too large   4.79006175265936     
-   11.6744105700854       split increased to            2  itime      702944 
+ acceleration/energy drift too large   4.60406044249773     
+   14.2684131292574       split increased to            2  itime      702125 
   itsplit           1
 Momenta zeroed out, time           140599.80
- acceleration/energy drift too large   7.04095715131672     
-   23.7939556297141       split increased to            2  itime      703100 
+ acceleration/energy drift too large   9.40064041520360     
+   35.9833934743507       split increased to            2  itime      703009 
   itsplit           1
- acceleration/energy drift too large   2.43473115765837     
-   11.5885929181386       split increased to            2  itime      703591 
-  itsplit           1
- acceleration/energy drift too large   4.17012350796646     
-   13.0219698064919       split increased to            2  itime      703878 
+Momenta zeroed out, time           140799.80
+ acceleration/energy drift too large   5.37579859181647     
+   13.8244508723421       split increased to            2  itime      704126 
   itsplit           1
- acceleration/energy drift too large   3.10715979149207     
-   10.6356341191880       split increased to            2  itime      703897 
+ acceleration/energy drift too large   4.53917556476485     
+   10.8631264753323       split increased to            2  itime      704725 
   itsplit           1
-Momenta zeroed out, time           140799.80
 Momenta zeroed out, time           140999.80
- acceleration/energy drift too large   5.49644562189866     
-   16.7181199246808       split increased to            2  itime      705096 
+ acceleration/energy drift too large   5.27930240585096     
+   15.4079142025361       split increased to            2  itime      705356 
   itsplit           1
- acceleration/energy drift too large   8.87781246917108     
-   41.6050761900195       split increased to            2  itime      705178 
+ acceleration/energy drift too large   5.15501665589962     
+   13.9314205609791       split increased to            2  itime      705697 
   itsplit           1
- acceleration/energy drift too large   5.15233008869255     
-   13.5255629115622       split increased to            2  itime      705278 
+Momenta zeroed out, time           141199.80
+ acceleration/energy drift too large   10.6431334016292     
+   39.4011753338140       split increased to            2  itime      706718 
   itsplit           1
- acceleration/energy drift too large   3.92590933571954     
-   18.3595810105118       split increased to            2  itime      705394 
+ acceleration/energy drift too large   4.59073533274715     
+   12.6972208019884       split increased to            2  itime      706719 
   itsplit           1
-Momenta zeroed out, time           141199.80
 Momenta zeroed out, time           141399.80
- acceleration/energy drift too large   3.12302224083010     
-   14.5133046652921       split increased to            2  itime      707188 
-  itsplit           1
- acceleration/energy drift too large   4.43866796980942     
-   12.5783494303523       split increased to            2  itime      707430 
+ acceleration/energy drift too large   6.05469716188117     
+   22.1494471795289       split increased to            2  itime      707917 
   itsplit           1
 Momenta zeroed out, time           141599.80
- acceleration/energy drift too large   6.52048287650838     
-   13.9439284329065       split increased to            2  itime      708736 
+ acceleration/energy drift too large   3.56182715579235     
+   21.7951448371221       split increased to            2  itime      708568 
   itsplit           1
 Momenta zeroed out, time           141799.80
- acceleration/energy drift too large   12.7473485108242     
-   85.5524106375180       split increased to            2  itime      709156 
+ acceleration/energy drift too large   3.55849752040569     
+   16.8416022624155       split increased to            2  itime      709175 
+  itsplit           1
+ acceleration/energy drift too large   5.87510053734280     
+   17.4951042925304       split increased to            2  itime      709558 
   itsplit           1
- acceleration/energy drift too large   2.83903584908728     
-   10.7625575114752       split increased to            2  itime      709396 
+ acceleration/energy drift too large   8.50804434536379     
+   40.0386764375865       split increased to            2  itime      709824 
+  itsplit           1
+ acceleration/energy drift too large   6.12450530023317     
+   20.8251483128571       split increased to            2  itime      709870 
   itsplit           1
 Velocities reset to random values, time           141999.80
 Momenta zeroed out, time           141999.80
 Momenta zeroed out, time           142199.80
- acceleration/energy drift too large   5.71521194317633     
-   17.6646222685754       split increased to            2  itime      711152 
+ acceleration/energy drift too large   6.57784550667311     
+   19.3603821936159       split increased to            2  itime      711198 
   itsplit           1
 Momenta zeroed out, time           142399.80
- acceleration/energy drift too large   2.55165247644211     
-   16.9594711579624       split increased to            2  itime      712014 
-  itsplit           1
- acceleration/energy drift too large   5.68167893279061     
-   10.7551842879542       split increased to            2  itime      712185 
-  itsplit           1
- acceleration/energy drift too large   5.35463918744730     
-   28.2385856191345       split increased to            2  itime      712937 
-  itsplit           1
 Momenta zeroed out, time           142599.80
- acceleration/energy drift too large   4.69091547284338     
-   12.8064942616426       split increased to            2  itime      713351 
-  itsplit           1
- acceleration/energy drift too large   9.95304772632029     
-   30.2387296546419       split increased to            2  itime      713369 
-  itsplit           1
- acceleration/energy drift too large   4.02962927693713     
-   13.3890920553665       split increased to            2  itime      713503 
-  itsplit           1
- acceleration/energy drift too large   5.44217380067201     
-   30.3519155067331       split increased to            2  itime      713758 
-  itsplit           1
 Momenta zeroed out, time           142799.80
- acceleration/energy drift too large   4.89159299428466     
-   13.1336861487285       split increased to            2  itime      714437 
+ acceleration/energy drift too large   1.76034789291894     
+   11.4170889659240       split increased to            2  itime      714682 
   itsplit           1
-Momenta zeroed out, time           142999.80
- acceleration/energy drift too large   8.78594495258571     
-   22.0142057773208       split increased to            2  itime      715274 
+ acceleration/energy drift too large   3.63673092149680     
+   10.0723389044042       split increased to            2  itime      714720 
   itsplit           1
- acceleration/energy drift too large   5.34564997817948     
-   14.7913992532728       split increased to            2  itime      715715 
+Momenta zeroed out, time           142999.80
+ acceleration/energy drift too large   5.35856234934605     
+   11.4194236851736       split increased to            2  itime      715390 
   itsplit           1
- acceleration/energy drift too large   4.71468710223228     
-   15.4002584001328       split increased to            2  itime      715764 
+ acceleration/energy drift too large   3.56897776994793     
+   10.4452657066138       split increased to            2  itime      715441 
   itsplit           1
 Momenta zeroed out, time           143199.80
- acceleration/energy drift too large   6.31903153662476     
-   16.3436481247751       split increased to            2  itime      716557 
-  itsplit           1
 Momenta zeroed out, time           143399.80
+ acceleration/energy drift too large   13.9059025420124     
+   75.9739021623213       split increased to            2  itime      717063 
+  itsplit           1
 Momenta zeroed out, time           143599.80
- acceleration/energy drift too large   4.25149218401649     
-   14.2590582999383       split increased to            2  itime      718437 
+ acceleration/energy drift too large   7.66931222430048     
+   32.3232149660931       split increased to            2  itime      718344 
   itsplit           1
 Momenta zeroed out, time           143799.80
- acceleration/energy drift too large   6.36974461215317     
-   16.6253040990708       split increased to            2  itime      719254 
+ acceleration/energy drift too large   14.3770528757968     
+   111.608230033604       split increased to            2  itime      719591 
   itsplit           1
 Velocities reset to random values, time           143999.80
 Momenta zeroed out, time           143999.80
- acceleration/energy drift too large   7.01175775487687     
-   26.5021061036257       split increased to            2  itime      720373 
-  itsplit           1
 Momenta zeroed out, time           144199.80
- acceleration/energy drift too large   6.46004588592044     
-   14.2064841401217       split increased to            2  itime      721143 
+ acceleration/energy drift too large   5.24944155678507     
+   11.2195861634948       split increased to            2  itime      721154 
+  itsplit           1
+ acceleration/energy drift too large   4.78884053842600     
+   15.0108465896422       split increased to            2  itime      721478 
   itsplit           1
 Momenta zeroed out, time           144399.80
 Momenta zeroed out, time           144599.80
- acceleration/energy drift too large   8.16548299985682     
-   33.9236251521094       split increased to            2  itime      723061 
-  itsplit           1
- acceleration/energy drift too large   4.37153846480502     
-   11.1477714833544       split increased to            2  itime      723727 
+ acceleration/energy drift too large   3.38629405148641     
+   12.2343339783090       split increased to            2  itime      723417 
   itsplit           1
 Momenta zeroed out, time           144799.80
 Momenta zeroed out, time           144999.80
 Momenta zeroed out, time           145199.80
- acceleration/energy drift too large   4.35829282526678     
-   10.9157855779870       split increased to            2  itime      726555 
+ acceleration/energy drift too large   1.98125828512502     
+   13.7008239849140       split increased to            2  itime      726514 
   itsplit           1
-Momenta zeroed out, time           145399.80
- acceleration/energy drift too large   8.66281275773183     
-   35.5032372500975       split increased to            2  itime      727135 
-  itsplit           1
- acceleration/energy drift too large   1.47899079976310     
-   10.2744903509271       split increased to            2  itime      727785 
+ acceleration/energy drift too large   3.44020646224604     
+   11.0066250743159       split increased to            2  itime      726674 
   itsplit           1
+Momenta zeroed out, time           145399.80
 Momenta zeroed out, time           145599.80
 Momenta zeroed out, time           145799.80
- acceleration/energy drift too large   8.81928639518561     
-   33.5700377638198       split increased to            2  itime      729010 
-  itsplit           1
- acceleration/energy drift too large   6.95720974092460     
-   31.9201203557716       split increased to            2  itime      729497 
-  itsplit           1
- acceleration/energy drift too large   5.84545865772064     
-   26.3128041175394       split increased to            2  itime      729692 
-  itsplit           1
 Velocities reset to random values, time           145999.80
 Momenta zeroed out, time           145999.80
- acceleration/energy drift too large   5.31877421174126     
-   11.4465214630089       split increased to            2  itime      730149 
+ acceleration/energy drift too large   4.98958195070780     
+   12.8928351643529       split increased to            2  itime      730488 
   itsplit           1
 Momenta zeroed out, time           146199.80
- acceleration/energy drift too large   6.74310656370092     
-   23.3644808646937       split increased to            2  itime      731575 
+ acceleration/energy drift too large   5.13743464503674     
+   20.3873437804165       split increased to            2  itime      731222 
+  itsplit           1
+ acceleration/energy drift too large   5.74446822301793     
+   15.7414578085706       split increased to            2  itime      731969 
   itsplit           1
 Momenta zeroed out, time           146399.80
+ acceleration/energy drift too large   4.98805475230396     
+   13.8829357043584       split increased to            2  itime      732183 
+  itsplit           1
+ acceleration/energy drift too large   2.47174063540117     
+   10.0687948193764       split increased to            2  itime      732184 
+  itsplit           1
 Momenta zeroed out, time           146599.80
-Momenta zeroed out, time           146799.80
- acceleration/energy drift too large   5.24693830459739     
-   21.1554666210913       split increased to            2  itime      734066 
+ acceleration/energy drift too large   5.67588968614870     
+   35.8122093109963       split increased to            2  itime      733123 
   itsplit           1
- acceleration/energy drift too large   5.62247007568255     
-   13.6005605864710       split increased to            2  itime      734716 
+ acceleration/energy drift too large   4.13533887431712     
+   13.6610407236731       split increased to            2  itime      733810 
   itsplit           1
+Momenta zeroed out, time           146799.80
 Momenta zeroed out, time           146999.80
- acceleration/energy drift too large   6.35492142033531     
-   22.2949992819526       split increased to            2  itime      735739 
+ acceleration/energy drift too large   9.19337969895395     
+   41.1720301957376       split increased to            2  itime      735656 
   itsplit           1
 Momenta zeroed out, time           147199.80
- acceleration/energy drift too large   2.97149083206420     
-   20.1039988262692       split increased to            2  itime      736180 
-  itsplit           1
 Momenta zeroed out, time           147399.80
- acceleration/energy drift too large   4.88260471371529     
-   14.9873966726293       split increased to            2  itime      737233 
-  itsplit           1
- acceleration/energy drift too large   3.61117862091808     
-   12.5852653420397       split increased to            2  itime      737674 
-  itsplit           1
- acceleration/energy drift too large   7.09130530203641     
-   25.0398315717841       split increased to            2  itime      737814 
-  itsplit           1
 Momenta zeroed out, time           147599.80
- acceleration/energy drift too large   14.0195281413873     
-   103.474883993818       split increased to            2  itime      738627 
-  itsplit           1
- acceleration/energy drift too large   11.8619368792834     
-   57.9757945671758       split increased to            2  itime      738700 
+ acceleration/energy drift too large   4.94523324334189     
+   10.9984386661139       split increased to            2  itime      738902 
   itsplit           1
 Momenta zeroed out, time           147799.80
- acceleration/energy drift too large   3.62702061100691     
-   17.1754007156313       split increased to            2  itime      739526 
+ acceleration/energy drift too large   6.05141827141259     
+   13.7659447206977       split increased to            2  itime      739642 
   itsplit           1
 Velocities reset to random values, time           147999.80
 Momenta zeroed out, time           147999.80
-Momenta zeroed out, time           148199.80
- acceleration/energy drift too large   9.80632334186519     
-   52.1328418943778       split increased to            2  itime      741658 
+ acceleration/energy drift too large   7.00926125851313     
+   52.0878124502171       split increased to            2  itime      740764 
   itsplit           1
-Momenta zeroed out, time           148399.80
- acceleration/energy drift too large   5.78790209642830     
-   21.9247475415994       split increased to            2  itime      742120 
+Momenta zeroed out, time           148199.80
+ acceleration/energy drift too large   2.41032179654763     
+   17.4952502429349       split increased to            2  itime      741116 
   itsplit           1
- acceleration/energy drift too large   4.30800748953531     
-   29.6000612709772       split increased to            4  itime      742120 
+ acceleration/energy drift too large   4.26252322094003     
+   11.6480098662911       split increased to            2  itime      741856 
   itsplit           1
-Momenta zeroed out, time           148599.80
- acceleration/energy drift too large   4.30974954550138     
-   10.4617044706197       split increased to            2  itime      743071 
+ acceleration/energy drift too large   5.16780671024534     
+   32.2455574519426       split increased to            2  itime      741884 
   itsplit           1
- acceleration/energy drift too large   7.80305928127649     
-   16.5540625540690       split increased to            2  itime      743214 
+Momenta zeroed out, time           148399.80
+ acceleration/energy drift too large   3.71896729625148     
+   16.3648237378543       split increased to            2  itime      742358 
   itsplit           1
- acceleration/energy drift too large   5.51510304401816     
-   16.9906776070961       split increased to            2  itime      743589 
+Momenta zeroed out, time           148599.80
+ acceleration/energy drift too large   5.84861777010915     
+   15.1609651475717       split increased to            2  itime      743274 
   itsplit           1
- acceleration/energy drift too large   2.07851421594359     
-   14.0815926048171       split increased to            2  itime      743590 
+ acceleration/energy drift too large   6.49088742028310     
+   12.3356478323192       split increased to            2  itime      743672 
   itsplit           1
- acceleration/energy drift too large   3.70774349044161     
-   17.4195927047948       split increased to            2  itime      743641 
+ acceleration/energy drift too large   4.79853743557760     
+   10.3062856314734       split increased to            2  itime      743676 
   itsplit           1
- acceleration/energy drift too large   5.03887530530326     
-   12.6030853176163       split increased to            2  itime      743676 
+ acceleration/energy drift too large   2.54713475458781     
+   13.6112653618088       split increased to            2  itime      743948 
   itsplit           1
 Momenta zeroed out, time           148799.80
-Momenta zeroed out, time           148999.80
- acceleration/energy drift too large   6.39469512395291     
-   13.4680588281962       split increased to            2  itime      745413 
+ acceleration/energy drift too large   6.36858609936185     
+   18.1465018006747       split increased to            2  itime      744175 
   itsplit           1
- acceleration/energy drift too large   2.91852689307000     
-   16.8953984666883       split increased to            2  itime      745880 
+Momenta zeroed out, time           148999.80
+ acceleration/energy drift too large   4.09144555716673     
+   24.3160058819024       split increased to            2  itime      745130 
   itsplit           1
-Momenta zeroed out, time           149199.80
- acceleration/energy drift too large   3.18794780085552     
-   13.3094180794320       split increased to            2  itime      746363 
+ acceleration/energy drift too large   4.53748499711306     
+   12.7820932619071       split increased to            2  itime      745597 
   itsplit           1
- acceleration/energy drift too large   7.64003061345427     
-   25.9538039025861       split increased to            2  itime      746676 
+ acceleration/energy drift too large   2.78789625090960     
+   19.2709862511006       split increased to            2  itime      745975 
   itsplit           1
- acceleration/energy drift too large   5.98001209338525     
-   42.6463835375328       split increased to            2  itime      746948 
+Momenta zeroed out, time           149199.80
+ acceleration/energy drift too large   3.45330622064080     
+   10.7078152772320       split increased to            2  itime      746170 
   itsplit           1
 Momenta zeroed out, time           149399.80
- acceleration/energy drift too large   5.26332497175200     
-   13.9801864594509       split increased to            2  itime      747387 
+ acceleration/energy drift too large   5.08869458792234     
+   10.6727808747900       split increased to            2  itime      747522 
   itsplit           1
 Momenta zeroed out, time           149599.80
- acceleration/energy drift too large   3.14891927068636     
-   12.4937925770495       split increased to            2  itime      748567 
+ acceleration/energy drift too large   5.18653016858115     
+   16.5023455481586       split increased to            2  itime      748518 
+  itsplit           1
+ acceleration/energy drift too large   8.87199509054557     
+   31.0156402585522       split increased to            2  itime      748553 
+  itsplit           1
+ acceleration/energy drift too large   3.16665914437871     
+   17.1853375188209       split increased to            2  itime      748770 
   itsplit           1
 Momenta zeroed out, time           149799.80
+ acceleration/energy drift too large   7.73665065170434     
+   26.8350887251010       split increased to            2  itime      749251 
+  itsplit           1
+ acceleration/energy drift too large   4.93084176541855     
+   20.2593292360981       split increased to            2  itime      749603 
+  itsplit           1
+ acceleration/energy drift too large   4.47617786709771     
+   14.6384247059224       split increased to            2  itime      749685 
+  itsplit           1
 Velocities reset to random values, time           149999.80
 Momenta zeroed out, time           149999.80
- acceleration/energy drift too large   8.61076262082803     
-   29.5802083047267       split increased to            2  itime      750749 
-  itsplit           1
 Momenta zeroed out, time           150199.80
- acceleration/energy drift too large   2.26423434454620     
-   13.3553058548376       split increased to            2  itime      751735 
+ acceleration/energy drift too large   2.39592723898263     
+   10.0113518804950       split increased to            2  itime      751173 
+  itsplit           1
+ acceleration/energy drift too large   3.50179847460916     
+   25.2095588472754       split increased to            2  itime      751632 
   itsplit           1
 Momenta zeroed out, time           150399.80
 Momenta zeroed out, time           150599.80
- acceleration/energy drift too large   4.64601678638641     
-   21.1857862485401       split increased to            2  itime      753035 
+ acceleration/energy drift too large   10.2950383414822     
+   40.0587778576352       split increased to            2  itime      753861 
   itsplit           1
 Momenta zeroed out, time           150799.80
- acceleration/energy drift too large   3.97705153688211     
-   13.0967842965057       split increased to            2  itime      754059 
-  itsplit           1
- acceleration/energy drift too large   6.59993404532983     
-   19.7052241119721       split increased to            2  itime      754090 
+ acceleration/energy drift too large   5.09178162211558     
+   11.9968078643744       split increased to            2  itime      754348 
   itsplit           1
- acceleration/energy drift too large   6.62223527789440     
-   14.0597561054935       split increased to            2  itime      754834 
+ acceleration/energy drift too large   14.8481519189021     
+   92.2203478137968       split increased to            2  itime      754709 
   itsplit           1
 Momenta zeroed out, time           150999.80
- acceleration/energy drift too large   4.70523463164060     
-   12.3979574141389       split increased to            2  itime      755064 
-  itsplit           1
- acceleration/energy drift too large   5.59826371000461     
-   19.9962973698119       split increased to            2  itime      755540 
-  itsplit           1
- acceleration/energy drift too large   5.28078840638320     
-   13.0096462501994       split increased to            2  itime      755951 
+ acceleration/energy drift too large   4.72244618134325     
+   17.2994157201325       split increased to            2  itime      755531 
   itsplit           1
 Momenta zeroed out, time           151199.80
 Momenta zeroed out, time           151399.80
- acceleration/energy drift too large   6.09018992682625     
-   16.3979721289059       split increased to            2  itime      757773 
-  itsplit           1
 Momenta zeroed out, time           151599.80
- acceleration/energy drift too large   11.2400042520961     
-   47.7601961651971       split increased to            2  itime      758510 
-  itsplit           1
- acceleration/energy drift too large   6.41015292054805     
-   15.1970903509985       split increased to            2  itime      758817 
+ acceleration/energy drift too large   3.07303985832377     
+   21.3395267817439       split increased to            2  itime      758588 
   itsplit           1
 Momenta zeroed out, time           151799.80
- acceleration/energy drift too large   1.61306526018616     
-   14.3763204840916       split increased to            2  itime      759364 
-  itsplit           1
- acceleration/energy drift too large   4.68385893969186     
-   12.9365948988651       split increased to            2  itime      759628 
+ acceleration/energy drift too large   5.14490674543814     
+   12.4329003841497       split increased to            2  itime      759711 
   itsplit           1
 Velocities reset to random values, time           151999.80
 Momenta zeroed out, time           151999.80
-Momenta zeroed out, time           152199.80
- acceleration/energy drift too large   7.41862595455613     
-   36.9367560617951       split increased to            2  itime      761089 
-  itsplit           1
- acceleration/energy drift too large   7.58508669139541     
-   16.0474756233168       split increased to            2  itime      761522 
+ acceleration/energy drift too large   4.20877716337626     
+   11.0506595176768       split increased to            2  itime      760120 
   itsplit           1
- acceleration/energy drift too large   3.64985497864849     
-   17.1424304052780       split increased to            2  itime      761628 
+ acceleration/energy drift too large   6.52178844059030     
+   17.4232700918115       split increased to            2  itime      760891 
   itsplit           1
- acceleration/energy drift too large   7.25441915001961     
-   19.8987295494774       split increased to            2  itime      761966 
+ acceleration/energy drift too large   7.38277207125440     
+   33.1441253167538       split increased to            2  itime      760900 
   itsplit           1
+Momenta zeroed out, time           152199.80
 Momenta zeroed out, time           152399.80
- acceleration/energy drift too large   3.92104010322019     
-   11.8484716793372       split increased to            2  itime      762655 
+ acceleration/energy drift too large   9.20294591535699     
+   42.6928748003693       split increased to            2  itime      762397 
   itsplit           1
 Momenta zeroed out, time           152599.80
- acceleration/energy drift too large   2.43325063188491     
-   13.7081997014591       split increased to            2  itime      763372 
+ acceleration/energy drift too large   4.71447147605572     
+   17.0445693230685       split increased to            2  itime      763095 
   itsplit           1
-Momenta zeroed out, time           152799.80
- acceleration/energy drift too large   8.92778536032293     
-   35.0178657007017       split increased to            2  itime      764612 
+ acceleration/energy drift too large   3.67733349090007     
+   16.2397675823743       split increased to            2  itime      763709 
   itsplit           1
- acceleration/energy drift too large   6.74172317958406     
-   22.0590797080616       split increased to            2  itime      764735 
+Momenta zeroed out, time           152799.80
+ acceleration/energy drift too large   4.17657356630061     
+   13.8558955506748       split increased to            2  itime      764984 
   itsplit           1
 Momenta zeroed out, time           152999.80
- acceleration/energy drift too large   6.51372031949608     
-   19.9682340908466       split increased to            2  itime      765359 
+ acceleration/energy drift too large   9.23711065343299     
+   26.8045648264258       split increased to            2  itime      765706 
   itsplit           1
-Momenta zeroed out, time           153199.80
- acceleration/energy drift too large   7.28256977214943     
-   25.3545389816984       split increased to            2  itime      766985 
+ acceleration/energy drift too large   5.06020418563341     
+   17.1522948474424       split increased to            2  itime      765833 
   itsplit           1
+Momenta zeroed out, time           153199.80
 Momenta zeroed out, time           153399.80
+ acceleration/energy drift too large   7.95667049668280     
+   19.3506083483030       split increased to            2  itime      767481 
+  itsplit           1
+ acceleration/energy drift too large   3.46042252273485     
+   20.0600931269311       split increased to            2  itime      767532 
+  itsplit           1
+ acceleration/energy drift too large   2.61510280897652     
+   12.5176613818994       split increased to            2  itime      767595 
+  itsplit           1
 Momenta zeroed out, time           153599.80
- acceleration/energy drift too large   4.60961344325661     
-   13.4906018000942       split increased to            2  itime      768085 
+ acceleration/energy drift too large   4.09243156241896     
+   10.7945395942108       split increased to            2  itime      768383 
   itsplit           1
- acceleration/energy drift too large   7.03978472861824     
-   14.8347123652884       split increased to            2  itime      768403 
+ acceleration/energy drift too large   3.80895446381746     
+   16.3982863816575       split increased to            2  itime      768837 
   itsplit           1
 Momenta zeroed out, time           153799.80
- acceleration/energy drift too large   2.61045458945064     
-   10.6649845654565       split increased to            2  itime      769578 
+ acceleration/energy drift too large   8.02988840527016     
+   38.7752150104761       split increased to            2  itime      769466 
+  itsplit           1
+ acceleration/energy drift too large   5.08528963085416     
+   10.7862374315563       split increased to            2  itime      769644 
   itsplit           1
 Velocities reset to random values, time           153999.80
 Momenta zeroed out, time           153999.80
- acceleration/energy drift too large   13.7124217236995     
-   82.8907968005415       split increased to            2  itime      770461 
+ acceleration/energy drift too large   11.1021634144000     
+   46.9980765819103       split increased to            2  itime      770426 
   itsplit           1
-Momenta zeroed out, time           154199.80
- acceleration/energy drift too large   6.50089311265648     
-   26.9408338530993       split increased to            2  itime      771114 
+ acceleration/energy drift too large   7.45127478598601     
+   11.3813641150503       split increased to            2  itime      770971 
   itsplit           1
- acceleration/energy drift too large   5.18024098959477     
-   18.1736269322175       split increased to            2  itime      771182 
+Momenta zeroed out, time           154199.80
+ acceleration/energy drift too large   9.32818971236411     
+   36.7296389510119       split increased to            2  itime      771998 
   itsplit           1
 Momenta zeroed out, time           154399.80
- acceleration/energy drift too large   12.5057092716371     
-   81.3841619536467       split increased to            2  itime      772671 
+ acceleration/energy drift too large   5.96713780153727     
+   14.4184053236391       split increased to            2  itime      772017 
   itsplit           1
 Momenta zeroed out, time           154599.80
- acceleration/energy drift too large   5.02595861147602     
-   16.8728021245090       split increased to            2  itime      773626 
+ acceleration/energy drift too large   3.36814483925586     
+   13.9045565158099       split increased to            2  itime      773266 
   itsplit           1
 Momenta zeroed out, time           154799.80
-Momenta zeroed out, time           154999.80
- acceleration/energy drift too large   5.30658670050222     
-   16.7900610021346       split increased to            2  itime      775332 
+ acceleration/energy drift too large   10.1882851550092     
+   45.5785714075316       split increased to            2  itime      774162 
   itsplit           1
- acceleration/energy drift too large   9.18934130893845     
-   26.0475860889120       split increased to            2  itime      775384 
+ acceleration/energy drift too large   4.77024270820559     
+   24.6827092722097       split increased to            2  itime      774448 
   itsplit           1
+Momenta zeroed out, time           154999.80
 Momenta zeroed out, time           155199.80
+ acceleration/energy drift too large   4.50236443476027     
+   11.4735252463620       split increased to            2  itime      776405 
+  itsplit           1
+ acceleration/energy drift too large   4.79222778609612     
+   14.1155721889973       split increased to            2  itime      776457 
+  itsplit           1
 Momenta zeroed out, time           155399.80
+ acceleration/energy drift too large   6.14144732887868     
+   11.4231364367406       split increased to            2  itime      777332 
+  itsplit           1
+ acceleration/energy drift too large   9.85922688294200     
+   73.5845097639865       split increased to            2  itime      777866 
+  itsplit           1
+ acceleration/energy drift too large   4.99321742345497     
+   16.4699246747417       split increased to            2  itime      777993 
+  itsplit           1
 Momenta zeroed out, time           155599.80
- acceleration/energy drift too large   5.07880738152168     
-   14.2291584373578       split increased to            2  itime      778090 
+ acceleration/energy drift too large   18.6857785340773     
+   114.539997390828       split increased to            2  itime      778474 
+  itsplit           1
+ acceleration/energy drift too large   4.03642424291576     
+   22.4389610663166       split increased to            4  itime      778474 
+  itsplit           2
+ acceleration/energy drift too large   3.94924791103259     
+   15.1821504415067       split increased to            2  itime      778529 
   itsplit           1
- acceleration/energy drift too large   7.55709149633342     
-   36.2062524139746       split increased to            2  itime      778500 
+ acceleration/energy drift too large   6.26466262498598     
+   16.3412754138200       split increased to            2  itime      778684 
   itsplit           1
 Momenta zeroed out, time           155799.80
- acceleration/energy drift too large   4.65312651880064     
-   11.4789545287775       split increased to            2  itime      779183 
+ acceleration/energy drift too large   2.62931919392601     
+   11.2606191186810       split increased to            2  itime      779205 
+  itsplit           1
+ acceleration/energy drift too large   4.45513508742001     
+   23.0701482730261       split increased to            2  itime      779289 
   itsplit           1
- acceleration/energy drift too large   4.41836213961499     
-   21.7289105167042       split increased to            2  itime      779304 
+ acceleration/energy drift too large   2.93592890050398     
+   12.7222999027065       split increased to            2  itime      779293 
   itsplit           1
- acceleration/energy drift too large   2.84257070167325     
-   10.7374442519630       split increased to            2  itime      779724 
+ acceleration/energy drift too large   6.82890946147441     
+   31.4513645037567       split increased to            2  itime      779850 
   itsplit           1
- acceleration/energy drift too large   7.60741420275253     
-   35.4090491754716       split increased to            2  itime      779983 
+ acceleration/energy drift too large   4.61843788665365     
+   17.9605212190892       split increased to            2  itime      779938 
+  itsplit           1
+ acceleration/energy drift too large   13.3374362478693     
+   61.6396615137167       split increased to            2  itime      779977 
   itsplit           1
 Velocities reset to random values, time           155999.80
 Momenta zeroed out, time           155999.80
- acceleration/energy drift too large   4.78156765083993     
-   31.1780931086475       split increased to            2  itime      780039 
+ acceleration/energy drift too large   3.39082415022940     
+   24.6800128557543       split increased to            2  itime      780790 
   itsplit           1
 Momenta zeroed out, time           156199.80
- acceleration/energy drift too large   8.25579423147202     
-   13.2877116415233       split increased to            2  itime      781437 
+ acceleration/energy drift too large   3.37719837489077     
+   12.0100332325479       split increased to            2  itime      781157 
   itsplit           1
-Momenta zeroed out, time           156399.80
- acceleration/energy drift too large   3.28959644475602     
-   16.7844999864807       split increased to            2  itime      782831 
+ acceleration/energy drift too large   4.90981351284195     
+   27.3576100471328       split increased to            2  itime      781288 
   itsplit           1
+ acceleration/energy drift too large   6.26558140528011     
+   16.9991281102483       split increased to            2  itime      781620 
+  itsplit           1
+Momenta zeroed out, time           156399.80
 Momenta zeroed out, time           156599.80
 Momenta zeroed out, time           156799.80
- acceleration/energy drift too large   6.96521894666474     
-   13.4221657678576       split increased to            2  itime      784820 
+ acceleration/energy drift too large   2.37140422217955     
+   12.8136076805489       split increased to            2  itime      784682 
   itsplit           1
 Momenta zeroed out, time           156999.80
- acceleration/energy drift too large   5.79120379967610     
-   10.1821690155276       split increased to            2  itime      785999 
+ acceleration/energy drift too large   6.00403003698544     
+   41.1837741317997       split increased to            2  itime      785445 
   itsplit           1
 Momenta zeroed out, time           157199.80
- acceleration/energy drift too large   3.93530415747583     
-   20.9891615927411       split increased to            2  itime      786738 
-  itsplit           1
- acceleration/energy drift too large   8.90540068307578     
-   35.4651775205298       split increased to            2  itime      786837 
+ acceleration/energy drift too large   2.06485847979914     
+   10.6287753257916       split increased to            2  itime      786170 
   itsplit           1
 Momenta zeroed out, time           157399.80
- acceleration/energy drift too large   2.37391981436358     
-   13.6040983398388       split increased to            2  itime      787207 
+ acceleration/energy drift too large   7.78451704792215     
+   10.3416199593614       split increased to            2  itime      787381 
   itsplit           1
- acceleration/energy drift too large   7.16462920415428     
-   19.1756199722446       split increased to            2  itime      787732 
-  itsplit           1
- acceleration/energy drift too large   13.7442421474801     
-   83.4667002861346       split increased to            2  itime      787754 
+Momenta zeroed out, time           157599.80
+ acceleration/energy drift too large   16.5512734032090     
+   80.8348357027854       split increased to            2  itime      788670 
   itsplit           1
- acceleration/energy drift too large   2.90219711169005     
-   15.6639323080227       split increased to            4  itime      787754 
+ acceleration/energy drift too large   3.88145789260503     
+   17.5345777643695       split increased to            4  itime      788670 
   itsplit           2
-Momenta zeroed out, time           157599.80
- acceleration/energy drift too large   4.77879520756222     
-   14.4859465751230       split increased to            2  itime      788492 
+ acceleration/energy drift too large   10.9554603692183     
+   44.6516597648799       split increased to            2  itime      788943 
   itsplit           1
 Momenta zeroed out, time           157799.80
- acceleration/energy drift too large   5.51506335910711     
-   19.0619327959306       split increased to            2  itime      789750 
-  itsplit           1
 Velocities reset to random values, time           157999.80
 Momenta zeroed out, time           157999.80
- acceleration/energy drift too large   8.87799461713702     
-   32.6930543854438       split increased to            2  itime      790759 
-  itsplit           1
- acceleration/energy drift too large   4.21109090460635     
-   17.3241926919227       split increased to            2  itime      790993 
-  itsplit           1
 Momenta zeroed out, time           158199.80
- acceleration/energy drift too large   5.75362671700720     
-   17.6290409979188       split increased to            2  itime      791746 
+ acceleration/energy drift too large   5.92499096388947     
+   42.7949557505260       split increased to            2  itime      791012 
+  itsplit           1
+ acceleration/energy drift too large   5.54250690066420     
+   36.5625806892671       split increased to            2  itime      791681 
   itsplit           1
 Momenta zeroed out, time           158399.80
-Momenta zeroed out, time           158599.80
- acceleration/energy drift too large   5.47682976232203     
-   15.8721806132992       split increased to            2  itime      793416 
+ acceleration/energy drift too large   4.76792666157593     
+   15.6911239740301       split increased to            2  itime      792072 
   itsplit           1
- acceleration/energy drift too large   4.00061519829469     
-   10.3460802471011       split increased to            2  itime      793926 
+ acceleration/energy drift too large   3.04105692195055     
+   23.2507334045219       split increased to            2  itime      792204 
   itsplit           1
-Momenta zeroed out, time           158799.80
- acceleration/energy drift too large   4.59312697448701     
-   12.8339432486029       split increased to            2  itime      794146 
+ acceleration/energy drift too large   5.80911970411579     
+   47.0977275031536       split increased to            2  itime      792236 
   itsplit           1
- acceleration/energy drift too large   5.39766971732632     
-   13.8222706480842       split increased to            2  itime      794891 
+ acceleration/energy drift too large   1.43546180815501     
+   10.9489780774500       split increased to            4  itime      792236 
   itsplit           1
+ acceleration/energy drift too large   4.23742491233706     
+   22.8804489065255       split increased to            2  itime      792541 
+  itsplit           1
+Momenta zeroed out, time           158599.80
+ acceleration/energy drift too large   3.36403456157944     
+   10.4738075796180       split increased to            2  itime      793473 
+  itsplit           1
+Momenta zeroed out, time           158799.80
 Momenta zeroed out, time           158999.80
- acceleration/energy drift too large   4.48818203164280     
-   21.7078787307891       split increased to            2  itime      795728 
+ acceleration/energy drift too large   5.50284383818753     
+   21.4568677907025       split increased to            2  itime      795003 
   itsplit           1
 Momenta zeroed out, time           159199.80
- acceleration/energy drift too large   6.63367220584147     
-   13.9296427639986       split increased to            2  itime      796449 
-  itsplit           1
 Momenta zeroed out, time           159399.80
- acceleration/energy drift too large   8.21409366680288     
-   42.2647613585067       split increased to            2  itime      797304 
-  itsplit           1
- acceleration/energy drift too large   7.56524863990732     
-   33.0355664752293       split increased to            2  itime      797420 
-  itsplit           1
 Momenta zeroed out, time           159599.80
- acceleration/energy drift too large   6.49178134695032     
-   18.5207614674469       split increased to            2  itime      798054 
+ acceleration/energy drift too large   5.39962027127895     
+   12.7497533718093       split increased to            2  itime      798039 
+  itsplit           1
+ acceleration/energy drift too large   3.92885777400521     
+   25.1263076728336       split increased to            2  itime      798920 
   itsplit           1
 Momenta zeroed out, time           159799.80
- acceleration/energy drift too large   4.04383768110089     
-   11.5002146974609       split increased to            2  itime      799759 
+ acceleration/energy drift too large   8.29874961228195     
+   29.1833022656823       split increased to            2  itime      799875 
   itsplit           1
 Velocities reset to random values, time           159999.80
 Momenta zeroed out, time           159999.80
- acceleration/energy drift too large   7.10885989621580     
-   22.8762775956701       split increased to            2  itime      800863 
-  itsplit           1
 Momenta zeroed out, time           160199.80
- acceleration/energy drift too large   7.29489254575027     
-   24.0561383175276       split increased to            2  itime      801535 
+ acceleration/energy drift too large   5.74492573886690     
+   36.7198013644456       split increased to            2  itime      801381 
   itsplit           1
 Momenta zeroed out, time           160399.80
- acceleration/energy drift too large   6.07305414919173     
-   19.6774645304407       split increased to            2  itime      802832 
+ acceleration/energy drift too large   3.74210228165323     
+   28.7146347551451       split increased to            2  itime      802323 
   itsplit           1
 Momenta zeroed out, time           160599.80
+ acceleration/energy drift too large   6.82522628979637     
+   21.9615747763283       split increased to            2  itime      803081 
+  itsplit           1
 Momenta zeroed out, time           160799.80
- acceleration/energy drift too large   2.82905247306515     
-   10.1998294528365       split increased to            2  itime      804876 
+ acceleration/energy drift too large   4.82391864056145     
+   13.6711040308144       split increased to            2  itime      804877 
   itsplit           1
 Momenta zeroed out, time           160999.80
- acceleration/energy drift too large   4.87999297905980     
-   16.1057080843411       split increased to            2  itime      805023 
-  itsplit           1
- acceleration/energy drift too large   3.20562522445271     
-   11.3717236768011       split increased to            2  itime      805763 
+ acceleration/energy drift too large   4.35006811091763     
+   25.4753033978273       split increased to            2  itime      805221 
   itsplit           1
 Momenta zeroed out, time           161199.80
- acceleration/energy drift too large   4.25724696414339     
-   21.4928421867101       split increased to            2  itime      806522 
+ acceleration/energy drift too large   5.00609951879690     
+   10.8398779445447       split increased to            2  itime      806256 
   itsplit           1
-Momenta zeroed out, time           161399.80
-Momenta zeroed out, time           161599.80
- acceleration/energy drift too large   3.07814538001794     
-   12.3942443126360       split increased to            2  itime      808842 
+ acceleration/energy drift too large   2.97353075121809     
+   11.4388988985185       split increased to            2  itime      806326 
   itsplit           1
-Momenta zeroed out, time           161799.80
-Velocities reset to random values, time           161999.80
-Momenta zeroed out, time           161999.80
- acceleration/energy drift too large   2.50815596689973     
-   12.9072514474293       split increased to            2  itime      810184 
+ acceleration/energy drift too large   5.63226264248114     
+   14.7465223481164       split increased to            2  itime      806602 
   itsplit           1
- acceleration/energy drift too large   5.35521356585606     
-   19.1949290495918       split increased to            2  itime      810403 
+ acceleration/energy drift too large   5.32666485661458     
+   14.4118313049677       split increased to            2  itime      806757 
   itsplit           1
- acceleration/energy drift too large   3.80225939903928     
-   10.2434680236702       split increased to            2  itime      810404 
+ acceleration/energy drift too large   3.14392644303765     
+   14.2365210022466       split increased to            2  itime      806870 
   itsplit           1
- acceleration/energy drift too large   4.33862610056403     
-   14.8925166050252       split increased to            2  itime      810460 
+Momenta zeroed out, time           161399.80
+ acceleration/energy drift too large   4.05186635396376     
+   20.5875603207227       split increased to            2  itime      807283 
   itsplit           1
-Momenta zeroed out, time           162199.80
-Momenta zeroed out, time           162399.80
- acceleration/energy drift too large   10.6040672359036     
-   36.5361185330867       split increased to            2  itime      812565 
+ acceleration/energy drift too large   6.37924690650927     
+   14.8194669060962       split increased to            2  itime      807324 
   itsplit           1
- acceleration/energy drift too large   3.05471642762930     
-   30.3966010264804       split increased to            2  itime      812566 
+ acceleration/energy drift too large   4.20195925317622     
+   22.2778273742347       split increased to            2  itime      807453 
   itsplit           1
-Momenta zeroed out, time           162599.80
- acceleration/energy drift too large   4.74895726690251     
-   10.6350510257846       split increased to            2  itime      813165 
+ acceleration/energy drift too large   5.56486534259402     
+   22.7086026987142       split increased to            2  itime      807536 
   itsplit           1
- acceleration/energy drift too large   10.2545242149805     
-   35.1989620264935       split increased to            2  itime      813250 
+ acceleration/energy drift too large   4.18707372326205     
+   11.6819997713183       split increased to            2  itime      807915 
   itsplit           1
- acceleration/energy drift too large   4.04360844232443     
-   12.8060094518726       split increased to            2  itime      813746 
+Momenta zeroed out, time           161599.80
+ acceleration/energy drift too large   6.48491391395337     
+   21.9364677194840       split increased to            2  itime      808013 
   itsplit           1
- acceleration/energy drift too large   7.72586826289679     
-   53.0188887012818       split increased to            2  itime      813760 
+ acceleration/energy drift too large   4.62353541644323     
+   11.6858591927844       split increased to            2  itime      808158 
   itsplit           1
- acceleration/energy drift too large   3.80475249033298     
-   12.2394704818614       split increased to            2  itime      813779 
+Momenta zeroed out, time           161799.80
+Velocities reset to random values, time           161999.80
+Momenta zeroed out, time           161999.80
+ acceleration/energy drift too large   3.27264657697556     
+   17.3773382187889       split increased to            2  itime      810781 
   itsplit           1
- acceleration/energy drift too large   10.9446903323959     
-   46.8033792080474       split increased to            2  itime      813956 
+ acceleration/energy drift too large   3.91690847134978     
+   16.1203034743898       split increased to            2  itime      810995 
   itsplit           1
-Momenta zeroed out, time           162799.80
- acceleration/energy drift too large   6.25151622007267     
-   13.5002336505512       split increased to            2  itime      814255 
+Momenta zeroed out, time           162199.80
+ acceleration/energy drift too large   2.97377138803372     
+   12.1936207219749       split increased to            2  itime      811391 
   itsplit           1
- acceleration/energy drift too large   6.56704315702419     
-   14.5056430764524       split increased to            2  itime      814326 
+ acceleration/energy drift too large   7.39219851812956     
+   26.1136663558542       split increased to            2  itime      811913 
   itsplit           1
- acceleration/energy drift too large   2.88587733096814     
-   16.6116501478525       split increased to            2  itime      814857 
+Momenta zeroed out, time           162399.80
+ acceleration/energy drift too large   3.80140023842527     
+   11.5564794797607       split increased to            2  itime      812423 
   itsplit           1
-Momenta zeroed out, time           162999.80
- acceleration/energy drift too large   3.00514616920034     
-   19.5005326530316       split increased to            2  itime      815496 
+Momenta zeroed out, time           162599.80
+ acceleration/energy drift too large   5.04656418947820     
+   16.9741965932455       split increased to            2  itime      813626 
   itsplit           1
- acceleration/energy drift too large   7.43998372294277     
-   23.4012249445833       split increased to            2  itime      815696 
+Momenta zeroed out, time           162799.80
+ acceleration/energy drift too large   5.04872854439076     
+   31.5961362080206       split increased to            2  itime      814512 
   itsplit           1
+Momenta zeroed out, time           162999.80
 Momenta zeroed out, time           163199.80
- acceleration/energy drift too large   4.44249393367043     
-   10.5591678941288       split increased to            2  itime      816708 
-  itsplit           1
 Momenta zeroed out, time           163399.80
-Momenta zeroed out, time           163599.80
- acceleration/energy drift too large   7.09593537684837     
-   16.2400743043440       split increased to            2  itime      818967 
+ acceleration/energy drift too large   4.65906388109373     
+   15.4203852998880       split increased to            2  itime      817305 
   itsplit           1
+ acceleration/energy drift too large   4.58742549442974     
+   15.5773371880134       split increased to            2  itime      817497 
+  itsplit           1
+Momenta zeroed out, time           163599.80
 Momenta zeroed out, time           163799.80
+ acceleration/energy drift too large   3.81243691126209     
+   18.2776030850536       split increased to            2  itime      819178 
+  itsplit           1
+ acceleration/energy drift too large   3.02360194259486     
+   12.5433115637952       split increased to            2  itime      819245 
+  itsplit           1
 Velocities reset to random values, time           163999.80
 Momenta zeroed out, time           163999.80
+ acceleration/energy drift too large   4.69934379487902     
+   17.8781573208904       split increased to            2  itime      820668 
+  itsplit           1
+ acceleration/energy drift too large   5.09244132830603     
+   11.3526088664732       split increased to            2  itime      820716 
+  itsplit           1
 Momenta zeroed out, time           164199.80
- acceleration/energy drift too large   5.11128374110905     
-   23.1962064639143       split increased to            2  itime      821781 
+ acceleration/energy drift too large   3.92030709629688     
+   10.9041482553285       split increased to            2  itime      821743 
   itsplit           1
 Momenta zeroed out, time           164399.80
- acceleration/energy drift too large   6.27228657462545     
-   34.6175467421407       split increased to            2  itime      822672 
+ acceleration/energy drift too large   4.45151699778669     
+   10.8780364013332       split increased to            2  itime      822275 
   itsplit           1
- acceleration/energy drift too large   8.45535684510112     
-   27.2891245889989       split increased to            2  itime      822746 
+ acceleration/energy drift too large   6.15475552514924     
+   15.5261249294320       split increased to            2  itime      822674 
   itsplit           1
-Momenta zeroed out, time           164599.80
- acceleration/energy drift too large   4.78757702887532     
-   10.2939660845274       split increased to            2  itime      823257 
+ acceleration/energy drift too large   4.93226927253938     
+   12.2279877821353       split increased to            2  itime      822698 
   itsplit           1
- acceleration/energy drift too large   2.22259157117461     
-   12.5498909162752       split increased to            2  itime      823545 
+ acceleration/energy drift too large   4.23460779608340     
+   13.3118250155963       split increased to            2  itime      822810 
   itsplit           1
- acceleration/energy drift too large   5.51303328530501     
-   12.0268579869936       split increased to            2  itime      823778 
+ acceleration/energy drift too large   4.39183282841305     
+   12.0873679488289       split increased to            2  itime      822885 
   itsplit           1
+ acceleration/energy drift too large   4.53596486689530     
+   11.5944713390852       split increased to            2  itime      822963 
+  itsplit           1
+Momenta zeroed out, time           164599.80
 Momenta zeroed out, time           164799.80
 Momenta zeroed out, time           164999.80
- acceleration/energy drift too large   3.18456798652965     
-   22.7087761273562       split increased to            2  itime      825755 
+ acceleration/energy drift too large   7.81821035742162     
+   32.3045581920289       split increased to            2  itime      825261 
   itsplit           1
 Momenta zeroed out, time           165199.80
-Momenta zeroed out, time           165399.80
- acceleration/energy drift too large   9.23215739331822     
-   49.5537546451560       split increased to            2  itime      827127 
+ acceleration/energy drift too large   3.33321401635625     
+   23.0158276103240       split increased to            2  itime      826187 
   itsplit           1
- acceleration/energy drift too large   8.15712177409946     
-   32.8879732163352       split increased to            2  itime      827217 
+ acceleration/energy drift too large   5.48063682957747     
+   10.1287355517002       split increased to            2  itime      826264 
   itsplit           1
- acceleration/energy drift too large   5.90299151218772     
-   18.9422464582027       split increased to            2  itime      827331 
+Momenta zeroed out, time           165399.80
+ acceleration/energy drift too large   5.45912118588014     
+   18.4493620532609       split increased to            2  itime      827118 
   itsplit           1
 Momenta zeroed out, time           165599.80
- acceleration/energy drift too large   2.90669762842560     
-   17.7473781828342       split increased to            2  itime      828779 
+ acceleration/energy drift too large   4.51873636581489     
+   12.9528919366570       split increased to            2  itime      828762 
   itsplit           1
 Momenta zeroed out, time           165799.80
+ acceleration/energy drift too large   5.53673286994567     
+   25.5537254314739       split increased to            2  itime      829718 
+  itsplit           1
 Velocities reset to random values, time           165999.80
 Momenta zeroed out, time           165999.80
- acceleration/energy drift too large   5.14186840035711     
-   20.0562256890705       split increased to            2  itime      830175 
-  itsplit           1
 Momenta zeroed out, time           166199.80
 Momenta zeroed out, time           166399.80
-Momenta zeroed out, time           166599.80
- acceleration/energy drift too large   4.39004272585714     
-   20.7332897114611       split increased to            2  itime      833032 
+ acceleration/energy drift too large   3.87073675548457     
+   18.5051098252134       split increased to            2  itime      832036 
   itsplit           1
- acceleration/energy drift too large   2.80519168524441     
-   16.6033163122921       split increased to            2  itime      833245 
+ acceleration/energy drift too large   2.62433286617426     
+   10.0961010434428       split increased to            2  itime      832037 
   itsplit           1
- acceleration/energy drift too large   6.99481461205491     
-   24.9290819826888       split increased to            2  itime      833667 
+ acceleration/energy drift too large   4.90663236764782     
+   21.7283314873963       split increased to            2  itime      832716 
   itsplit           1
- acceleration/energy drift too large   3.03404586949714     
-   13.2085134916513       split increased to            2  itime      833934 
+Momenta zeroed out, time           166599.80
+ acceleration/energy drift too large   3.40097022914083     
+   13.0867656684688       split increased to            2  itime      833602 
   itsplit           1
 Momenta zeroed out, time           166799.80
- acceleration/energy drift too large   3.12226244612978     
-   15.8072916753300       split increased to            2  itime      834486 
+ acceleration/energy drift too large   2.06196035655998     
+   11.6897375189634       split increased to            2  itime      834050 
   itsplit           1
- acceleration/energy drift too large   2.50961874408251     
-   11.3242028111339       split increased to            2  itime      834780 
+ acceleration/energy drift too large   5.88476847413398     
+   15.9007351409330       split increased to            2  itime      834361 
   itsplit           1
 Momenta zeroed out, time           166999.80
- acceleration/energy drift too large   3.34565627956108     
-   10.0716750452993       split increased to            2  itime      835836 
+ acceleration/energy drift too large   3.73104990018655     
+   28.8722378143442       split increased to            2  itime      835149 
+  itsplit           1
+ acceleration/energy drift too large   4.31845967537407     
+   21.8679118962416       split increased to            2  itime      835496 
+  itsplit           1
+ acceleration/energy drift too large   2.79541165706229     
+   11.2899216581800       split increased to            2  itime      835497 
   itsplit           1
 Momenta zeroed out, time           167199.80
- acceleration/energy drift too large   2.07251663538638     
-   12.3601012850710       split increased to            2  itime      836221 
+ acceleration/energy drift too large   5.38402922793740     
+   22.4236477949483       split increased to            2  itime      836390 
   itsplit           1
- acceleration/energy drift too large   5.24346071142514     
-   11.1271669689237       split increased to            2  itime      836564 
+ acceleration/energy drift too large   9.22710513509879     
+   45.8811437714932       split increased to            2  itime      836700 
   itsplit           1
 Momenta zeroed out, time           167399.80
- acceleration/energy drift too large   2.57211788610123     
-   18.1235669494530       split increased to            2  itime      837070 
+ acceleration/energy drift too large   3.26070690034737     
+   12.2266926077354       split increased to            2  itime      837194 
+  itsplit           1
+ acceleration/energy drift too large   8.98090560484235     
+   39.5801672939554       split increased to            2  itime      837411 
   itsplit           1
- acceleration/energy drift too large   1.78706039316529     
-   10.1390550738529       split increased to            2  itime      837777 
+ acceleration/energy drift too large   1.98464045318435     
+   11.8940836937035       split increased to            2  itime      837412 
   itsplit           1
 Momenta zeroed out, time           167599.80
+ acceleration/energy drift too large   8.65878538508589     
+   35.9780812542472       split increased to            2  itime      838422 
+  itsplit           1
+ acceleration/energy drift too large   2.84823337941545     
+   19.7525061234976       split increased to            2  itime      838543 
+  itsplit           1
+ acceleration/energy drift too large   4.32912799059953     
+   18.4991853067253       split increased to            2  itime      838794 
+  itsplit           1
+ acceleration/energy drift too large   5.21788330530094     
+   24.9711053363927       split increased to            2  itime      838932 
+  itsplit           1
 Momenta zeroed out, time           167799.80
+ acceleration/energy drift too large   3.02767348589434     
+   11.4085871922921       split increased to            2  itime      839052 
+  itsplit           1
 Velocities reset to random values, time           167999.80
 Momenta zeroed out, time           167999.80
+ acceleration/energy drift too large   3.67387917409033     
+   22.6154929732918       split increased to            2  itime      840174 
+  itsplit           1
+ acceleration/energy drift too large   3.26756830019776     
+   11.5738689100919       split increased to            2  itime      840435 
+  itsplit           1
 Momenta zeroed out, time           168199.80
-Momenta zeroed out, time           168399.80
- acceleration/energy drift too large   4.94781481513922     
-   14.0541279632905       split increased to            2  itime      842086 
+ acceleration/energy drift too large   4.88221141244355     
+   19.2917165556473       split increased to            2  itime      841353 
   itsplit           1
- acceleration/energy drift too large   10.1626824201074     
-   43.0405894036764       split increased to            2  itime      842134 
+ acceleration/energy drift too large   4.99451083122166     
+   19.6619741271167       split increased to            2  itime      841662 
   itsplit           1
- acceleration/energy drift too large   1.82160772872404     
-   11.7922927858316       split increased to            2  itime      842135 
+Momenta zeroed out, time           168399.80
+ acceleration/energy drift too large   3.92614800190358     
+   13.7896094745076       split increased to            2  itime      842068 
   itsplit           1
 Momenta zeroed out, time           168599.80
- acceleration/energy drift too large   12.2688235527007     
-   59.8078290887748       split increased to            2  itime      843439 
+ acceleration/energy drift too large   9.46525973060289     
+   29.1743295954813       split increased to            2  itime      843273 
   itsplit           1
- acceleration/energy drift too large   10.1306613442590     
-   63.8863361864159       split increased to            2  itime      843542 
+ acceleration/energy drift too large   4.56956032620855     
+   10.0203698727279       split increased to            2  itime      843315 
   itsplit           1
 Momenta zeroed out, time           168799.80
- acceleration/energy drift too large   4.29997733975226     
-   12.0189662002743       split increased to            2  itime      844297 
-  itsplit           1
- acceleration/energy drift too large   12.4889289990052     
-   55.1970762228312       split increased to            2  itime      844848 
+ acceleration/energy drift too large   4.93233452940774     
+   13.6759387522853       split increased to            2  itime      844692 
   itsplit           1
 Momenta zeroed out, time           168999.80
- acceleration/energy drift too large   4.86601044399645     
-   14.1904182358619       split increased to            2  itime      845760 
+ acceleration/energy drift too large   3.53712063219541     
+   10.1750987900244       split increased to            2  itime      845135 
+  itsplit           1
+ acceleration/energy drift too large   4.35184469558263     
+   12.8811837951536       split increased to            2  itime      845560 
   itsplit           1
 Momenta zeroed out, time           169199.80
-Momenta zeroed out, time           169399.80
- acceleration/energy drift too large   5.22288360278741     
-   30.4834819468499       split increased to            2  itime      847557 
+ acceleration/energy drift too large   4.00025938163371     
+   14.4859034763997       split increased to            2  itime      846010 
   itsplit           1
- acceleration/energy drift too large   9.38476339977002     
-   27.1121043424311       split increased to            2  itime      847707 
+ acceleration/energy drift too large   3.11103248635420     
+   15.4921113049369       split increased to            2  itime      846442 
   itsplit           1
-Momenta zeroed out, time           169599.80
- acceleration/energy drift too large   4.93689828687419     
-   14.2065498122056       split increased to            2  itime      848969 
+ acceleration/energy drift too large   3.27303398386769     
+   10.3560032929799       split increased to            2  itime      846525 
+  itsplit           1
+ acceleration/energy drift too large   5.92339634339704     
+   15.6696136099556       split increased to            2  itime      846640 
   itsplit           1
+Momenta zeroed out, time           169399.80
+Momenta zeroed out, time           169599.80
 Momenta zeroed out, time           169799.80
+ acceleration/energy drift too large   9.10618708596841     
+   37.7519187463658       split increased to            2  itime      849025 
+  itsplit           1
+ acceleration/energy drift too large   5.10134746280044     
+   29.5311958187968       split increased to            2  itime      849083 
+  itsplit           1
+ acceleration/energy drift too large   5.40234879970057     
+   21.4070620781088       split increased to            2  itime      849676 
+  itsplit           1
+ acceleration/energy drift too large   4.26986149376041     
+   11.4777018578115       split increased to            2  itime      849727 
+  itsplit           1
 Velocities reset to random values, time           169999.80
 Momenta zeroed out, time           169999.80
- acceleration/energy drift too large   4.57476715139128     
-   10.5853985974727       split increased to            2  itime      850390 
+ acceleration/energy drift too large   6.53789102805504     
+   12.1863659335553       split increased to            2  itime      850563 
   itsplit           1
 Momenta zeroed out, time           170199.80
+ acceleration/energy drift too large   5.70005019903227     
+   18.6161087206976       split increased to            2  itime      851504 
+  itsplit           1
 Momenta zeroed out, time           170399.80
- acceleration/energy drift too large   5.16800290215073     
-   13.2775154578889       split increased to            2  itime      852292 
+ acceleration/energy drift too large   4.34734920843842     
+   23.5572788334655       split increased to            2  itime      852132 
   itsplit           1
- acceleration/energy drift too large   5.62758511321040     
-   19.6071010424139       split increased to            2  itime      852521 
+ acceleration/energy drift too large   3.29745188622350     
+   11.0970207441481       split increased to            2  itime      852791 
   itsplit           1
 Momenta zeroed out, time           170599.80
- acceleration/energy drift too large   2.51973371317705     
-   12.1764371025935       split increased to            2  itime      853093 
+ acceleration/energy drift too large   7.15816856685805     
+   23.2693315018613       split increased to            2  itime      853000 
   itsplit           1
-Momenta zeroed out, time           170799.80
- acceleration/energy drift too large   1.90500120572380     
-   11.4421357727941       split increased to            2  itime      854089 
+ acceleration/energy drift too large   3.55228169330000     
+   11.7775990362057       split increased to            2  itime      853277 
   itsplit           1
+Momenta zeroed out, time           170799.80
 Momenta zeroed out, time           170999.80
- acceleration/energy drift too large   5.04520463926812     
-   15.5701203978122       split increased to            2  itime      855526 
-  itsplit           1
- acceleration/energy drift too large   2.95902924845058     
-   19.3489379767403       split increased to            2  itime      855603 
-  itsplit           1
- acceleration/energy drift too large   4.79691289417406     
-   14.8287983407660       split increased to            2  itime      855693 
-  itsplit           1
- acceleration/energy drift too large   4.56429339231762     
-   12.7778482983714       split increased to            2  itime      855792 
-  itsplit           1
 Momenta zeroed out, time           171199.80
-Momenta zeroed out, time           171399.80
- acceleration/energy drift too large   6.64910791842539     
-   20.4535480770140       split increased to            2  itime      857154 
+ acceleration/energy drift too large   3.31218377953639     
+   26.6275005181271       split increased to            2  itime      856541 
   itsplit           1
- acceleration/energy drift too large   4.67426472377819     
-   11.4861581432962       split increased to            2  itime      857212 
-  itsplit           1
- acceleration/energy drift too large   3.67858396246159     
-   13.9512404705957       split increased to            2  itime      857530 
-  itsplit           1
- acceleration/energy drift too large   5.47923300132068     
-   32.9810836333243       split increased to            2  itime      857954 
+ acceleration/energy drift too large   6.04939827381643     
+   11.8720667512274       split increased to            2  itime      856963 
   itsplit           1
+Momenta zeroed out, time           171399.80
 Momenta zeroed out, time           171599.80
- acceleration/energy drift too large   3.20551630024737     
-   15.5592144853844       split increased to            2  itime      858222 
+ acceleration/energy drift too large   5.05251913558946     
+   27.8350216336444       split increased to            2  itime      858093 
   itsplit           1
- acceleration/energy drift too large   1.98999353327743     
-   10.4996546688364       split increased to            2  itime      858270 
-  itsplit           1
- acceleration/energy drift too large   6.26331117460904     
-   28.6184446093683       split increased to            2  itime      858873 
+ acceleration/energy drift too large   6.07371040440041     
+   29.8673268805752       split increased to            2  itime      858143 
   itsplit           1
 Momenta zeroed out, time           171799.80
- acceleration/energy drift too large   4.88907324204860     
-   16.0597129354702       split increased to            2  itime      859466 
-  itsplit           1
- acceleration/energy drift too large   3.49110788669623     
-   21.5495802247277       split increased to            2  itime      859550 
-  itsplit           1
- acceleration/energy drift too large   3.86546282223490     
-   10.0315808366759       split increased to            2  itime      859558 
-  itsplit           1
- acceleration/energy drift too large   3.63671824819724     
-   10.9668635682316       split increased to            2  itime      859617 
-  itsplit           1
- acceleration/energy drift too large   3.66743974886680     
-   12.1882728184515       split increased to            2  itime      859621 
-  itsplit           1
- acceleration/energy drift too large   3.41364248570289     
-   10.0738693383884       split increased to            2  itime      859623 
-  itsplit           1
- acceleration/energy drift too large   1.46384912997050     
-   11.8222880322311       split increased to            2  itime      859625 
+ acceleration/energy drift too large   4.50841907810142     
+   14.3815277280396       split increased to            2  itime      859684 
   itsplit           1
- acceleration/energy drift too large   3.67798446889047     
-   17.6114535414738       split increased to            2  itime      859626 
-  itsplit           1
- acceleration/energy drift too large   2.08198427012014     
-   11.0486600502897       split increased to            2  itime      859627 
-  itsplit           1
- acceleration/energy drift too large   3.40263522545876     
-   22.8634109747097       split increased to            2  itime      859628 
-  itsplit           1
- acceleration/energy drift too large   2.77824142643557     
-   17.3937202837218       split increased to            2  itime      859633 
-  itsplit           1
- acceleration/energy drift too large   3.69206937544675     
-   11.2183860197902       split increased to            2  itime      859634 
-  itsplit           1
- acceleration/energy drift too large   3.31055161347717     
-   13.6218606555562       split increased to            2  itime      859637 
-  itsplit           1
- acceleration/energy drift too large   6.08881964112435     
-   15.6976301004106       split increased to            2  itime      859639 
-  itsplit           1
- acceleration/energy drift too large   3.97803387022885     
-   19.1211005650434       split increased to            2  itime      859640 
-  itsplit           1
- acceleration/energy drift too large   3.57849932821557     
-   14.9300922531199       split increased to            2  itime      859645 
+Velocities reset to random values, time           171999.80
+Momenta zeroed out, time           171999.80
+ acceleration/energy drift too large   5.65184202706531     
+   31.4961151434760       split increased to            2  itime      860107 
   itsplit           1
- acceleration/energy drift too large   3.21836166996673     
-   11.7222244231065       split increased to            2  itime      859647 
+ acceleration/energy drift too large   3.73680446803215     
+   11.0493578852148       split increased to            2  itime      860898 
   itsplit           1
- acceleration/energy drift too large   3.63362809271455     
-   21.4802040451924       split increased to            2  itime      859648 
+Momenta zeroed out, time           172199.80
+Momenta zeroed out, time           172399.80
+Momenta zeroed out, time           172599.80
+ acceleration/energy drift too large   5.14404740528487     
+   12.1617327464939       split increased to            2  itime      863017 
   itsplit           1
- acceleration/energy drift too large   4.17892522680584     
-   11.9054149529683       split increased to            2  itime      859651 
+ acceleration/energy drift too large   3.53595320928532     
+   10.0732682657988       split increased to            2  itime      863051 
   itsplit           1
- acceleration/energy drift too large   3.18661588117334     
-   22.8678027624297       split increased to            2  itime      859652 
+ acceleration/energy drift too large   2.54771606184848     
+   10.9722994147921       split increased to            2  itime      863096 
   itsplit           1
- acceleration/energy drift too large   3.68727007533183     
-   12.1908539337473       split increased to            2  itime      859654 
+ acceleration/energy drift too large   6.60605374277731     
+   13.8452926271259       split increased to            2  itime      863346 
   itsplit           1
- acceleration/energy drift too large   4.20017559034692     
-   11.8103136842031       split increased to            2  itime      859729 
+ acceleration/energy drift too large   5.25859786504072     
+   10.1577335719423       split increased to            2  itime      863486 
   itsplit           1
-Velocities reset to random values, time           171999.80
-Momenta zeroed out, time           171999.80
-Momenta zeroed out, time           172199.80
- acceleration/energy drift too large   6.88015757132122     
-   16.0655540855176       split increased to            2  itime      861919 
+ acceleration/energy drift too large   4.84246292881706     
+   11.5315884615796       split increased to            2  itime      863709 
   itsplit           1
-Momenta zeroed out, time           172399.80
-Momenta zeroed out, time           172599.80
- acceleration/energy drift too large   4.01924944761480     
-   11.7741634109896       split increased to            2  itime      863102 
+ acceleration/energy drift too large   4.22016951093836     
+   12.0435885397294       split increased to            2  itime      863710 
   itsplit           1
 Momenta zeroed out, time           172799.80
 Momenta zeroed out, time           172999.80
- acceleration/energy drift too large   7.02028838696509     
-   34.7813250620385       split increased to            2  itime      865755 
+ acceleration/energy drift too large   3.82612481476693     
+   11.3442336585437       split increased to            2  itime      865634 
   itsplit           1
 Momenta zeroed out, time           173199.80
- acceleration/energy drift too large   7.15488997832287     
-   17.7351173159760       split increased to            2  itime      866134 
-  itsplit           1
- acceleration/energy drift too large   9.47672310519700     
-   24.2752247844069       split increased to            2  itime      866384 
+ acceleration/energy drift too large   4.45943663262331     
+   10.6672008248402       split increased to            2  itime      866331 
   itsplit           1
 Momenta zeroed out, time           173399.80
- acceleration/energy drift too large   5.12042423756408     
-   11.5783808643254       split increased to            2  itime      867034 
-  itsplit           1
- acceleration/energy drift too large   6.03983467547865     
-   12.9449641182573       split increased to            2  itime      867140 
-  itsplit           1
- acceleration/energy drift too large   4.34363931678966     
-   11.6663570035669       split increased to            2  itime      867759 
+ acceleration/energy drift too large   10.9334265624574     
+   51.1829257160271       split increased to            2  itime      867677 
   itsplit           1
 Momenta zeroed out, time           173599.80
-Momenta zeroed out, time           173799.80
- acceleration/energy drift too large   7.61275659805310     
-   35.0988037997848       split increased to            2  itime      869313 
+ acceleration/energy drift too large   4.33845405817586     
+   20.2606051417782       split increased to            2  itime      868719 
   itsplit           1
- acceleration/energy drift too large   4.50485309175526     
-   14.1086371941567       split increased to            2  itime      869740 
+Momenta zeroed out, time           173799.80
+ acceleration/energy drift too large   5.17009207691513     
+   12.1819560842383       split increased to            2  itime      869372 
   itsplit           1
 Velocities reset to random values, time           173999.80
 Momenta zeroed out, time           173999.80
- acceleration/energy drift too large   6.48803571282635     
-   22.9032154353680       split increased to            2  itime      870689 
+ acceleration/energy drift too large   4.70205235581323     
+   22.3774145169749       split increased to            2  itime      870258 
   itsplit           1
 Momenta zeroed out, time           174199.80
-Momenta zeroed out, time           174399.80
- acceleration/energy drift too large   4.61379958488156     
-   12.4911958239469       split increased to            2  itime      872691 
+ acceleration/energy drift too large   3.25681990084098     
+   11.5316575024634       split increased to            2  itime      871275 
+  itsplit           1
+ acceleration/energy drift too large   5.43998086918527     
+   18.3946909919251       split increased to            2  itime      871611 
   itsplit           1
- acceleration/energy drift too large   5.25620691009543     
-   29.1496577949787       split increased to            2  itime      872704 
+ acceleration/energy drift too large   4.08963050101551     
+   10.3877126056225       split increased to            2  itime      871816 
   itsplit           1
+Momenta zeroed out, time           174399.80
 Momenta zeroed out, time           174599.80
- acceleration/energy drift too large   7.01355845534734     
-   23.3858100923303       split increased to            2  itime      873464 
+ acceleration/energy drift too large   13.6518237680182     
+   75.9938852607436       split increased to            2  itime      873203 
+  itsplit           1
+ acceleration/energy drift too large   6.29334067446924     
+   18.4208258527099       split increased to            2  itime      873252 
+  itsplit           1
+ acceleration/energy drift too large   15.8956448374658     
+   78.2490385966732       split increased to            2  itime      873642 
   itsplit           1
 Momenta zeroed out, time           174799.80
+ acceleration/energy drift too large   2.74726216030116     
+   18.5700300754259       split increased to            2  itime      874000 
+  itsplit           1
+ acceleration/energy drift too large   7.00526561122010     
+   30.1430881107069       split increased to            2  itime      874216 
+  itsplit           1
+ acceleration/energy drift too large   4.53066615515545     
+   25.8978042513824       split increased to            2  itime      874240 
+  itsplit           1
+ acceleration/energy drift too large   4.80368689472743     
+   32.9793249329439       split increased to            2  itime      874559 
+  itsplit           1
+ acceleration/energy drift too large   7.53746747096232     
+   35.7113807790328       split increased to            2  itime      874743 
+  itsplit           1
 Momenta zeroed out, time           174999.80
- acceleration/energy drift too large   12.5039767173893     
-   75.9643904366331       split increased to            2  itime      875000 
+ acceleration/energy drift too large   12.1527806444812     
+   67.9749569982251       split increased to            2  itime      875245 
   itsplit           1
- acceleration/energy drift too large   12.1635756878394     
-   73.4927875430737       split increased to            2  itime      875997 
+ acceleration/energy drift too large   11.3812068522580     
+   61.6495258999242       split increased to            2  itime      875804 
   itsplit           1
 Momenta zeroed out, time           175199.80
- acceleration/energy drift too large   4.77166088298411     
-   13.0801578115872       split increased to            2  itime      876866 
-  itsplit           1
 Momenta zeroed out, time           175399.80
-Momenta zeroed out, time           175599.80
- acceleration/energy drift too large   3.41615870123598     
-   22.4401610811292       split increased to            2  itime      878998 
+ acceleration/energy drift too large   3.81096115213438     
+   19.4997498853091       split increased to            2  itime      877785 
   itsplit           1
+Momenta zeroed out, time           175599.80
 Momenta zeroed out, time           175799.80
+ acceleration/energy drift too large   7.80386550516528     
+   14.5933925427354       split increased to            2  itime      879208 
+  itsplit           1
 Velocities reset to random values, time           175999.80
 Momenta zeroed out, time           175999.80
- acceleration/energy drift too large   5.79549754437502     
-   25.8516877490787       split increased to            2  itime      880216 
-  itsplit           1
- acceleration/energy drift too large   9.47042167264612     
-   27.6780032116133       split increased to            2  itime      880789 
+ acceleration/energy drift too large   4.22796903552204     
+   10.6320458572905       split increased to            2  itime      880262 
   itsplit           1
 Momenta zeroed out, time           176199.80
- acceleration/energy drift too large   5.30539959766666     
-   12.8700501146061       split increased to            2  itime      881108 
-  itsplit           1
- acceleration/energy drift too large   3.75136090659825     
-   19.8422339988068       split increased to            2  itime      881245 
-  itsplit           1
- acceleration/energy drift too large   2.63936635875431     
-   16.8696429936899       split increased to            2  itime      881526 
-  itsplit           1
- acceleration/energy drift too large   9.29469903738480     
-   27.8235765023175       split increased to            2  itime      881962 
+ acceleration/energy drift too large   6.33352326859042     
+   13.1807258060295       split increased to            2  itime      881986 
   itsplit           1
 Momenta zeroed out, time           176399.80
-Momenta zeroed out, time           176599.80
- acceleration/energy drift too large   3.82667207729723     
-   17.5191236395723       split increased to            2  itime      883303 
+ acceleration/energy drift too large   4.45490733994230     
+   12.4203086659831       split increased to            2  itime      882711 
   itsplit           1
+Momenta zeroed out, time           176599.80
 Momenta zeroed out, time           176799.80
- acceleration/energy drift too large   10.0063552786840     
-   61.9778498733859       split increased to            2  itime      884630 
-  itsplit           1
 Momenta zeroed out, time           176999.80
- acceleration/energy drift too large   8.16184147107745     
-   31.3141598446434       split increased to            2  itime      885499 
-  itsplit           1
- acceleration/energy drift too large   4.29232068259393     
-   25.5125468520921       split increased to            2  itime      885530 
-  itsplit           1
- acceleration/energy drift too large   7.47171196499615     
-   17.4331912523121       split increased to            2  itime      885787 
+ acceleration/energy drift too large   4.80960488051270     
+   13.5930395867373       split increased to            2  itime      885615 
   itsplit           1
 Momenta zeroed out, time           177199.80
 Momenta zeroed out, time           177399.80
- acceleration/energy drift too large   10.5382593188754     
-   48.6878260304506       split increased to            2  itime      887235 
+ acceleration/energy drift too large   7.47434011627617     
+   20.0182406099193       split increased to            2  itime      887021 
   itsplit           1
- acceleration/energy drift too large   2.43844117335497     
-   10.6222972594643       split increased to            4  itime      887235 
-  itsplit           2
- acceleration/energy drift too large   2.79187429645863     
-   14.1761316293107       split increased to            2  itime      887278 
-  itsplit           1
- acceleration/energy drift too large   9.93672844085552     
-   52.0226363845305       split increased to            2  itime      887549 
+ acceleration/energy drift too large   2.10730554896734     
+   11.0308969896301       split increased to            2  itime      887730 
   itsplit           1
 Momenta zeroed out, time           177599.80
-Momenta zeroed out, time           177799.80
- acceleration/energy drift too large   2.71486812130619     
-   14.5429911794829       split increased to            2  itime      889612 
+ acceleration/energy drift too large   5.30596486658655     
+   10.7649878219788       split increased to            2  itime      888732 
   itsplit           1
- acceleration/energy drift too large   3.69788419087246     
-   10.2048583026770       split increased to            2  itime      889703 
+Momenta zeroed out, time           177799.80
+ acceleration/energy drift too large   3.54344704556723     
+   21.9538713301132       split increased to            2  itime      889474 
   itsplit           1
 Velocities reset to random values, time           177999.80
 Momenta zeroed out, time           177999.80
+ acceleration/energy drift too large   3.55126420890896     
+   11.0609901050849       split increased to            2  itime      890013 
+  itsplit           1
+ acceleration/energy drift too large   6.99302867866769     
+   23.1882384640026       split increased to            2  itime      890446 
+  itsplit           1
 Momenta zeroed out, time           178199.80
+ acceleration/energy drift too large   4.10833105745231     
+   10.3220902113414       split increased to            2  itime      891884 
+  itsplit           1
 Momenta zeroed out, time           178399.80
 Momenta zeroed out, time           178599.80
- acceleration/energy drift too large   5.55712402822622     
-   17.6372445616124       split increased to            2  itime      893107 
+Momenta zeroed out, time           178799.80
+ acceleration/energy drift too large   6.77364050735273     
+   15.3781336257847       split increased to            2  itime      894351 
   itsplit           1
- acceleration/energy drift too large   3.71539262447887     
-   12.9878092487651       split increased to            2  itime      893208 
+ acceleration/energy drift too large   2.62888665272087     
+   16.7770658056087       split increased to            2  itime      894910 
   itsplit           1
- acceleration/energy drift too large   8.56725138292501     
-   33.4851991121084       split increased to            2  itime      893599 
+Momenta zeroed out, time           178999.80
+ acceleration/energy drift too large   4.71038257786028     
+   15.8555990304452       split increased to            2  itime      895204 
   itsplit           1
-Momenta zeroed out, time           178799.80
- acceleration/energy drift too large   4.41219259257403     
-   13.6417201318054       split increased to            2  itime      894823 
+ acceleration/energy drift too large   5.75414966520890     
+   16.6291586287178       split increased to            2  itime      895713 
+  itsplit           1
+ acceleration/energy drift too large   5.04172707223517     
+   15.0728333821749       split increased to            2  itime      895727 
   itsplit           1
-Momenta zeroed out, time           178999.80
 Momenta zeroed out, time           179199.80
- acceleration/energy drift too large   2.98607440858387     
-   13.7950656519072       split increased to            2  itime      896010 
+ acceleration/energy drift too large   3.93127530086439     
+   11.5542915238330       split increased to            2  itime      896511 
   itsplit           1
- acceleration/energy drift too large   2.10903097319005     
-   10.9795725271478       split increased to            2  itime      896105 
+ acceleration/energy drift too large   3.66774080274766     
+   13.3171109948320       split increased to            2  itime      896542 
   itsplit           1
- acceleration/energy drift too large   3.00809252453151     
-   22.0635889300478       split increased to            2  itime      896424 
+Momenta zeroed out, time           179399.80
+ acceleration/energy drift too large   10.9404321568743     
+   60.2140838235866       split increased to            2  itime      897213 
   itsplit           1
- acceleration/energy drift too large   5.31351757849571     
-   13.1380129248481       split increased to            2  itime      896988 
+ acceleration/energy drift too large   8.95707768251574     
+   30.3993594198080       split increased to            2  itime      897539 
   itsplit           1
-Momenta zeroed out, time           179399.80
- acceleration/energy drift too large   4.73562670572133     
-   12.2195342827030       split increased to            2  itime      897119 
+ acceleration/energy drift too large   2.76539604731723     
+   10.0751490982834       split increased to            2  itime      897540 
   itsplit           1
 Momenta zeroed out, time           179599.80
-Momenta zeroed out, time           179799.80
- acceleration/energy drift too large   6.41211165160518     
-   22.6860904296959       split increased to            2  itime      899368 
+ acceleration/energy drift too large   5.05680806500897     
+   16.6723225549645       split increased to            2  itime      898499 
+  itsplit           1
+ acceleration/energy drift too large   7.32988354445463     
+   16.7108163233040       split increased to            2  itime      898673 
+  itsplit           1
+ acceleration/energy drift too large   2.33706080409391     
+   15.9080157001394       split increased to            2  itime      898699 
   itsplit           1
- acceleration/energy drift too large   4.28452870913643     
-   11.5535729985769       split increased to            2  itime      899443 
+ acceleration/energy drift too large   3.68224868081820     
+   12.5515027632942       split increased to            2  itime      898804 
   itsplit           1
- acceleration/energy drift too large   2.81292550132238     
-   13.7627974504181       split increased to            2  itime      899887 
+Momenta zeroed out, time           179799.80
+ acceleration/energy drift too large   3.28803407217186     
+   18.6966525460259       split increased to            2  itime      899457 
+  itsplit           1
+ acceleration/energy drift too large   5.00371495574754     
+   13.3271567053248       split increased to            2  itime      899850 
   itsplit           1
 Velocities reset to random values, time           179999.80
 Momenta zeroed out, time           179999.80
- acceleration/energy drift too large   3.32785482798570     
-   10.1511770204396       split increased to            2  itime      900032 
+Momenta zeroed out, time           180199.80
+ acceleration/energy drift too large   2.40747698158318     
+   15.9512549417722       split increased to            2  itime      901452 
   itsplit           1
- acceleration/energy drift too large   5.36622821284762     
-   10.8783264810865       split increased to            2  itime      900604 
+ acceleration/energy drift too large   5.53160232392352     
+   10.6523976334423       split increased to            2  itime      901798 
   itsplit           1
- acceleration/energy drift too large   5.76627785285488     
-   24.4761979681224       split increased to            2  itime      900651 
+ acceleration/energy drift too large   3.85233710326270     
+   10.2679313780666       split increased to            2  itime      901834 
   itsplit           1
- acceleration/energy drift too large   5.94819513456232     
-   14.6238010352010       split increased to            2  itime      900961 
-  itsplit           1
-Momenta zeroed out, time           180199.80
- acceleration/energy drift too large   3.53637863773025     
-   15.1837803391325       split increased to            2  itime      901778 
+ acceleration/energy drift too large   4.22548677070690     
+   11.7093370338581       split increased to            2  itime      901862 
   itsplit           1
 Momenta zeroed out, time           180399.80
- acceleration/energy drift too large   3.08263635281743     
-   10.2751694742250       split increased to            2  itime      902429 
-  itsplit           1
-Momenta zeroed out, time           180599.80
- acceleration/energy drift too large   3.84664413715820     
-   12.4469843491998       split increased to            2  itime      903084 
+ acceleration/energy drift too large   9.25788813994322     
+   45.3863184177003       split increased to            2  itime      902135 
   itsplit           1
- acceleration/energy drift too large   4.90048521575989     
-   24.8852315845775       split increased to            2  itime      903133 
+ acceleration/energy drift too large   4.65528340870361     
+   15.2352214444177       split increased to            2  itime      902636 
   itsplit           1
- acceleration/energy drift too large   4.21287607371152     
-   26.6677949221383       split increased to            2  itime      903235 
+ acceleration/energy drift too large   3.40498467605247     
+   10.7807417377253       split increased to            2  itime      902698 
   itsplit           1
+Momenta zeroed out, time           180599.80
 Momenta zeroed out, time           180799.80
- acceleration/energy drift too large   6.41434421793315     
-   24.9871130230472       split increased to            2  itime      904598 
+ acceleration/energy drift too large   5.14637208459996     
+   17.6621198427073       split increased to            2  itime      904389 
   itsplit           1
 Momenta zeroed out, time           180999.80
- acceleration/energy drift too large   15.7403162812208     
-   106.755432117740       split increased to            2  itime      905302 
+ acceleration/energy drift too large   3.52911347621709     
+   10.3108590365208       split increased to            2  itime      905737 
   itsplit           1
- acceleration/energy drift too large   4.09622878991664     
-   27.7544081895660       split increased to            4  itime      905302 
-  itsplit           2
 Momenta zeroed out, time           181199.80
- acceleration/energy drift too large   10.6858564702767     
-   49.9094614001433       split increased to            2  itime      906429 
+ acceleration/energy drift too large   7.04727452214308     
+   28.9078873724487       split increased to            2  itime      906170 
+  itsplit           1
+ acceleration/energy drift too large   1.51709461185909     
+   11.2236113693320       split increased to            2  itime      906171 
+  itsplit           1
+ acceleration/energy drift too large   6.67472192721282     
+   12.2436076841169       split increased to            2  itime      906563 
   itsplit           1
 Momenta zeroed out, time           181399.80
- acceleration/energy drift too large   2.37174698433456     
-   16.7358982882579       split increased to            2  itime      907548 
+ acceleration/energy drift too large   4.78873276817106     
+   10.8181422717380       split increased to            2  itime      907067 
   itsplit           1
 Momenta zeroed out, time           181599.80
- acceleration/energy drift too large   9.52972026971528     
-   44.7701595392482       split increased to            2  itime      908731 
-  itsplit           1
 Momenta zeroed out, time           181799.80
- acceleration/energy drift too large   7.30450451128479     
-   22.6860035744300       split increased to            2  itime      909364 
-  itsplit           1
 Velocities reset to random values, time           181999.80
 Momenta zeroed out, time           181999.80
+ acceleration/energy drift too large   10.0800255167978     
+   44.4137190054949       split increased to            2  itime      910501 
+  itsplit           1
+ acceleration/energy drift too large   3.92863615531937     
+   20.3740730563155       split increased to            2  itime      910502 
+  itsplit           1
+ acceleration/energy drift too large   2.32967070027529     
+   10.9996650238789       split increased to            2  itime      910776 
+  itsplit           1
+ acceleration/energy drift too large   4.66186419548138     
+   10.9636375804028       split increased to            2  itime      910942 
+  itsplit           1
 Momenta zeroed out, time           182199.80
+ acceleration/energy drift too large   4.38109711005149     
+   10.9788126658748       split increased to            2  itime      911409 
+  itsplit           1
 Momenta zeroed out, time           182399.80
 Momenta zeroed out, time           182599.80
 Momenta zeroed out, time           182799.80
- acceleration/energy drift too large   6.96439383727287     
-   15.8291634481834       split increased to            2  itime      914222 
+ acceleration/energy drift too large   3.85031636200780     
+   16.0109877381329       split increased to            2  itime      914563 
   itsplit           1
- acceleration/energy drift too large   4.92121136007394     
-   19.6566491258450       split increased to            2  itime      914734 
+ acceleration/energy drift too large   4.89130122315225     
+   12.7654389690485       split increased to            2  itime      914841 
+  itsplit           1
+ acceleration/energy drift too large   4.01261383135191     
+   16.8317805200574       split increased to            2  itime      914873 
   itsplit           1
 Momenta zeroed out, time           182999.80
+ acceleration/energy drift too large   4.41559227007358     
+   15.5786622535649       split increased to            2  itime      915007 
+  itsplit           1
 Momenta zeroed out, time           183199.80
 Momenta zeroed out, time           183399.80
- acceleration/energy drift too large   2.36847094279546     
-   14.5381361408168       split increased to            2  itime      917619 
-  itsplit           1
- acceleration/energy drift too large   5.82825521002870     
-   13.8919952556501       split increased to            2  itime      917747 
+ acceleration/energy drift too large   4.81752786199611     
+   16.8852955704528       split increased to            2  itime      917359 
   itsplit           1
 Momenta zeroed out, time           183599.80
-Momenta zeroed out, time           183799.80
- acceleration/energy drift too large   11.9695289691605     
-   51.3727634798899       split increased to            2  itime      919634 
+ acceleration/energy drift too large   4.67086091876574     
+   14.8832468679010       split increased to            2  itime      918417 
   itsplit           1
- acceleration/energy drift too large   2.61096486168619     
-   14.3276406562406       split increased to            2  itime      919696 
+Momenta zeroed out, time           183799.80
+ acceleration/energy drift too large   8.38029788681533     
+   36.6489408996394       split increased to            2  itime      919249 
   itsplit           1
 Velocities reset to random values, time           183999.80
 Momenta zeroed out, time           183999.80
- acceleration/energy drift too large   5.53967236190842     
-   25.6553972343382       split increased to            2  itime      920700 
-  itsplit           1
-Momenta zeroed out, time           184199.80
- acceleration/energy drift too large   4.89766658657310     
-   15.4836503997742       split increased to            2  itime      921146 
+ acceleration/energy drift too large   3.25916917253471     
+   16.8642979166192       split increased to            2  itime      920561 
   itsplit           1
- acceleration/energy drift too large   2.51274608487153     
-   10.1403843842748       split increased to            2  itime      921147 
+ acceleration/energy drift too large   10.9978444963237     
+   56.0847399106631       split increased to            2  itime      920647 
   itsplit           1
- acceleration/energy drift too large   3.97578568418437     
-   13.1375381738676       split increased to            2  itime      921521 
-  itsplit           1
- acceleration/energy drift too large   6.69322854146505     
-   29.4224590283004       split increased to            2  itime      921579 
-  itsplit           1
- acceleration/energy drift too large   5.49965997166554     
-   34.2036834640544       split increased to            2  itime      921939 
+Momenta zeroed out, time           184199.80
+ acceleration/energy drift too large   2.86966477412026     
+   15.7477415488308       split increased to            2  itime      921275 
   itsplit           1
 Momenta zeroed out, time           184399.80
 Momenta zeroed out, time           184599.80
- acceleration/energy drift too large   5.83791819283525     
-   27.4277595928786       split increased to            2  itime      923469 
+ acceleration/energy drift too large   4.57696288764085     
+   12.9823766494987       split increased to            2  itime      923448 
   itsplit           1
 Momenta zeroed out, time           184799.80
 Momenta zeroed out, time           184999.80
- acceleration/energy drift too large   10.0699811357364     
-   43.3581322518822       split increased to            2  itime      925277 
-  itsplit           1
- acceleration/energy drift too large   5.39699441679612     
-   10.2077030259139       split increased to            2  itime      925278 
-  itsplit           1
 Momenta zeroed out, time           185199.80
- acceleration/energy drift too large   4.68400231074275     
-   15.2708228138421       split increased to            2  itime      926257 
-  itsplit           1
 Momenta zeroed out, time           185399.80
- acceleration/energy drift too large   2.31272075096976     
-   10.4389581684045       split increased to            2  itime      927354 
+ acceleration/energy drift too large   5.28052714451537     
+   23.7723991773180       split increased to            2  itime      927444 
   itsplit           1
- acceleration/energy drift too large   2.83358892002314     
-   15.3678836803661       split increased to            2  itime      927605 
+ acceleration/energy drift too large   5.27260288165354     
+   10.5923972688741       split increased to            2  itime      927445 
   itsplit           1
 Momenta zeroed out, time           185599.80
- acceleration/energy drift too large   4.44950458840857     
-   10.0867187506475       split increased to            2  itime      928066 
-  itsplit           1
- acceleration/energy drift too large   4.74386000935032     
-   21.6663092762557       split increased to            2  itime      928681 
+ acceleration/energy drift too large   6.89816669021086     
+   27.0831561680998       split increased to            2  itime      928347 
   itsplit           1
 Momenta zeroed out, time           185799.80
-Velocities reset to random values, time           185999.80
-Momenta zeroed out, time           185999.80
- acceleration/energy drift too large   5.64546614498520     
-   28.8016365729617       split increased to            2  itime      930410 
-  itsplit           1
- acceleration/energy drift too large   5.18864348838648     
-   39.3547115914398       split increased to            2  itime      930504 
+ acceleration/energy drift too large   7.46528102638832     
+   15.7041851492910       split increased to            2  itime      929369 
   itsplit           1
- acceleration/energy drift too large   3.95299598569855     
-   14.2041838243460       split increased to            2  itime      930734 
+ acceleration/energy drift too large   2.38259348071125     
+   12.9073010972352       split increased to            2  itime      929734 
   itsplit           1
+Velocities reset to random values, time           185999.80
+Momenta zeroed out, time           185999.80
 Momenta zeroed out, time           186199.80
- acceleration/energy drift too large   5.34371174032525     
-   33.9210171021419       split increased to            2  itime      931360 
-  itsplit           1
- acceleration/energy drift too large   9.23512520394664     
-   40.4687477434790       split increased to            2  itime      931482 
+ acceleration/energy drift too large   4.37478362852270     
+   20.0464175051627       split increased to            2  itime      931536 
   itsplit           1
 Momenta zeroed out, time           186399.80
- acceleration/energy drift too large   6.21916813202568     
-   15.7011216135489       split increased to            2  itime      932747 
+ acceleration/energy drift too large   6.64675059734402     
+   22.8905117709758       split increased to            2  itime      932506 
   itsplit           1
 Momenta zeroed out, time           186599.80
+ acceleration/energy drift too large   2.13882178519497     
+   10.1794523409683       split increased to            2  itime      933837 
+  itsplit           1
 Momenta zeroed out, time           186799.80
 Momenta zeroed out, time           186999.80
- acceleration/energy drift too large   10.5502186996434     
-   49.8321181495229       split increased to            2  itime      935400 
-  itsplit           1
- acceleration/energy drift too large   2.46305792604425     
-   11.2950917426568       split increased to            4  itime      935400 
-  itsplit           2
 Momenta zeroed out, time           187199.80
- acceleration/energy drift too large   3.97616943091384     
-   14.0779380039478       split increased to            2  itime      936593 
+ acceleration/energy drift too large   6.13326234165489     
+   34.5127990442089       split increased to            2  itime      936624 
   itsplit           1
 Momenta zeroed out, time           187399.80
 Momenta zeroed out, time           187599.80
- acceleration/energy drift too large   9.80534946722200     
-   35.8593773216182       split increased to            2  itime      938072 
+ acceleration/energy drift too large   8.27818519280545     
+   28.4974421671772       split increased to            2  itime      938185 
   itsplit           1
- acceleration/energy drift too large   11.8486438790829     
-   66.6910395153869       split increased to            2  itime      938196 
+ acceleration/energy drift too large   6.93066345259891     
+   14.6393090674665       split increased to            2  itime      938249 
   itsplit           1
- acceleration/energy drift too large   4.19115602697332     
-   16.8591428426077       split increased to            2  itime      938834 
+ acceleration/energy drift too large   5.09126728950992     
+   10.2006196592283       split increased to            2  itime      938399 
   itsplit           1
-Momenta zeroed out, time           187799.80
- acceleration/energy drift too large   3.97465189093361     
-   11.2882629456413       split increased to            2  itime      939102 
+ acceleration/energy drift too large   2.16473178549179     
+   15.5153258708730       split increased to            2  itime      938682 
   itsplit           1
- acceleration/energy drift too large   9.64351779231949     
-   48.1249668451817       split increased to            2  itime      939541 
+Momenta zeroed out, time           187799.80
+ acceleration/energy drift too large   5.12534921460226     
+   21.0446165290598       split increased to            2  itime      939058 
   itsplit           1
- acceleration/energy drift too large   3.28655786592895     
-   12.4742857145952       split increased to            2  itime      939833 
+ acceleration/energy drift too large   5.47460593686507     
+   16.7062541880737       split increased to            2  itime      939976 
   itsplit           1
 Velocities reset to random values, time           187999.80
 Momenta zeroed out, time           187999.80
- acceleration/energy drift too large   4.92573427817074     
-   14.0584763813880       split increased to            2  itime      940470 
+ acceleration/energy drift too large   3.16064491395945     
+   10.3677934092856       split increased to            2  itime      940309 
   itsplit           1
-Momenta zeroed out, time           188199.80
- acceleration/energy drift too large   5.71192721976469     
-   12.7368241206253       split increased to            2  itime      941070 
+ acceleration/energy drift too large   6.76965166348005     
+   14.8153365855610       split increased to            2  itime      940467 
+  itsplit           1
+ acceleration/energy drift too large   6.79043152795061     
+   21.1130219819995       split increased to            2  itime      940725 
+  itsplit           1
+ acceleration/energy drift too large   17.3603558883470     
+   86.6087053947984       split increased to            2  itime      940827 
   itsplit           1
+ acceleration/energy drift too large   2.87934773631215     
+   10.0815858121405       split increased to            4  itime      940827 
+  itsplit           1
+Momenta zeroed out, time           188199.80
 Momenta zeroed out, time           188399.80
-Momenta zeroed out, time           188599.80
- acceleration/energy drift too large   5.58292607670639     
-   16.4417858365220       split increased to            2  itime      943564 
+ acceleration/energy drift too large   7.61097822113379     
+   34.1368931165406       split increased to            2  itime      942481 
   itsplit           1
- acceleration/energy drift too large   7.02506088088839     
-   15.2535655956185       split increased to            2  itime      943737 
+ acceleration/energy drift too large   7.81398393519283     
+   14.2688025076005       split increased to            2  itime      942482 
   itsplit           1
-Momenta zeroed out, time           188799.80
- acceleration/energy drift too large   4.88608897155161     
-   20.4705016468751       split increased to            2  itime      944874 
+ acceleration/energy drift too large   2.55181106564991     
+   15.5995648120924       split increased to            2  itime      942800 
   itsplit           1
-Momenta zeroed out, time           188999.80
- acceleration/energy drift too large   7.14732358007165     
-   24.4860782480808       split increased to            2  itime      945464 
+Momenta zeroed out, time           188599.80
+ acceleration/energy drift too large   10.5030670629784     
+   76.1929235638924       split increased to            2  itime      943744 
   itsplit           1
- acceleration/energy drift too large   4.63659656626339     
-   24.0776715865507       split increased to            2  itime      945651 
+ acceleration/energy drift too large   3.32592604891163     
+   20.8230899292985       split increased to            2  itime      943973 
   itsplit           1
- acceleration/energy drift too large   4.94565324731797     
-   21.3195596805701       split increased to            2  itime      945924 
+Momenta zeroed out, time           188799.80
+ acceleration/energy drift too large   4.80286508459256     
+   26.2441267039552       split increased to            2  itime      944122 
   itsplit           1
+ acceleration/energy drift too large   6.19052068276805     
+   11.2950100153451       split increased to            2  itime      944147 
+  itsplit           1
+Momenta zeroed out, time           188999.80
 Momenta zeroed out, time           189199.80
- acceleration/energy drift too large   3.39965827216779     
-   24.3605129974708       split increased to            2  itime      946350 
+ acceleration/energy drift too large   4.02018591940842     
+   12.5351519543398       split increased to            2  itime      946014 
   itsplit           1
- acceleration/energy drift too large   4.81922433664280     
-   12.9005525881947       split increased to            2  itime      946932 
+ acceleration/energy drift too large   2.71237182949362     
+   14.1238309636478       split increased to            2  itime      946191 
   itsplit           1
 Momenta zeroed out, time           189399.80
- acceleration/energy drift too large   3.30953937304615     
-   10.4547407223019       split increased to            2  itime      947266 
+ acceleration/energy drift too large   6.54972001391232     
+   39.1204388601376       split increased to            2  itime      947715 
   itsplit           1
 Momenta zeroed out, time           189599.80
+ acceleration/energy drift too large   4.60021761971936     
+   20.7888802656170       split increased to            2  itime      948107 
+  itsplit           1
+ acceleration/energy drift too large   10.9761377197373     
+   61.0192622812578       split increased to            2  itime      948630 
+  itsplit           1
 Momenta zeroed out, time           189799.80
- acceleration/energy drift too large   3.95807556474227     
-   11.9479578163645       split increased to            2  itime      949841 
+ acceleration/energy drift too large   5.90083079186520     
+   15.5945529567742       split increased to            2  itime      949178 
+  itsplit           1
+ acceleration/energy drift too large   3.39171683320163     
+   12.2445712683653       split increased to            2  itime      949598 
   itsplit           1
 Velocities reset to random values, time           189999.80
 Momenta zeroed out, time           189999.80
- acceleration/energy drift too large   4.30126612717218     
-   11.8755588610697       split increased to            2  itime      950090 
-  itsplit           1
- acceleration/energy drift too large   5.31867007504513     
-   15.5294493275922       split increased to            2  itime      950383 
-  itsplit           1
- acceleration/energy drift too large   7.31901339163387     
-   32.0009368477468       split increased to            2  itime      950969 
+ acceleration/energy drift too large   5.67647913825963     
+   10.7370459000041       split increased to            2  itime      950034 
   itsplit           1
- acceleration/energy drift too large   1.56025210448796     
-   10.3163767508316       split increased to            2  itime      950970 
+ acceleration/energy drift too large   3.46470002582546     
+   14.3265488038707       split increased to            2  itime      950829 
   itsplit           1
 Momenta zeroed out, time           190199.80
 Momenta zeroed out, time           190399.80
- acceleration/energy drift too large   9.47224105650492     
-   39.8663902588754       split increased to            2  itime      952328 
+ acceleration/energy drift too large   4.87107724427008     
+   15.4475405572620       split increased to            2  itime      952965 
   itsplit           1
 Momenta zeroed out, time           190599.80
- acceleration/energy drift too large   3.31977615188646     
-   20.8245870473778       split increased to            2  itime      953073 
+ acceleration/energy drift too large   4.23961203185401     
+   15.6864801861022       split increased to            2  itime      953046 
   itsplit           1
- acceleration/energy drift too large   6.96242358863744     
-   22.9170803116247       split increased to            2  itime      953189 
+ acceleration/energy drift too large   5.85444513988827     
+   28.7489649245446       split increased to            2  itime      953917 
   itsplit           1
 Momenta zeroed out, time           190799.80
- acceleration/energy drift too large   3.90548040570572     
-   23.2415003633473       split increased to            2  itime      954836 
+ acceleration/energy drift too large   3.78179990224598     
+   14.4353928131892       split increased to            2  itime      954131 
+  itsplit           1
+ acceleration/energy drift too large   8.00534024371275     
+   18.8332694224348       split increased to            2  itime      954559 
   itsplit           1
 Momenta zeroed out, time           190999.80
- acceleration/energy drift too large   5.40730259340533     
-   11.7355642581158       split increased to            2  itime      955383 
+ acceleration/energy drift too large   3.41999900210871     
+   13.7079163112839       split increased to            2  itime      955445 
   itsplit           1
 Momenta zeroed out, time           191199.80
- acceleration/energy drift too large   2.92341334649260     
-   13.0916851448094       split increased to            2  itime      956049 
-  itsplit           1
- acceleration/energy drift too large   3.32552992388693     
-   11.8202154638603       split increased to            2  itime      956169 
-  itsplit           1
- acceleration/energy drift too large   5.04208529398648     
-   27.0312166341622       split increased to            2  itime      956426 
-  itsplit           1
- acceleration/energy drift too large   12.6155010092139     
-   90.6795368337252       split increased to            2  itime      956584 
-  itsplit           1
 Momenta zeroed out, time           191399.80
- acceleration/energy drift too large   3.34855146671417     
-   11.8819925470690       split increased to            2  itime      957013 
-  itsplit           1
- acceleration/energy drift too large   3.02062309589533     
-   17.6465535944196       split increased to            2  itime      957678 
-  itsplit           1
 Momenta zeroed out, time           191599.80
- acceleration/energy drift too large   12.9241226792678     
-   60.4069169178502       split increased to            2  itime      958093 
+ acceleration/energy drift too large   3.04615152046048     
+   23.7052394698058       split increased to            2  itime      958819 
   itsplit           1
- acceleration/energy drift too large   6.18593564607118     
-   24.1997515510364       split increased to            2  itime      958159 
+Momenta zeroed out, time           191799.80
+ acceleration/energy drift too large   3.58229127967627     
+   14.1266244968235       split increased to            2  itime      959411 
   itsplit           1
- acceleration/energy drift too large   6.43937078716035     
-   17.2900364226170       split increased to            2  itime      958460 
+ acceleration/energy drift too large   10.2785326109141     
+   57.5938546035118       split increased to            2  itime      959472 
   itsplit           1
- acceleration/energy drift too large   2.56721686713536     
-   11.4619487775186       split increased to            2  itime      958972 
+ acceleration/energy drift too large   4.62195541734330     
+   13.5787149979671       split increased to            2  itime      959756 
   itsplit           1
-Momenta zeroed out, time           191799.80
- acceleration/energy drift too large   4.09936173053658     
-   20.9681907769420       split increased to            2  itime      959112 
+ acceleration/energy drift too large   9.33136415798480     
+   36.7204490460494       split increased to            2  itime      959901 
   itsplit           1
 Velocities reset to random values, time           191999.80
 Momenta zeroed out, time           191999.80
-Momenta zeroed out, time           192199.80
- acceleration/energy drift too large   7.29212354161775     
-   14.5882977296858       split increased to            2  itime      961314 
+ acceleration/energy drift too large   5.08256822681629     
+   11.3547012862528       split increased to            2  itime      960195 
   itsplit           1
- acceleration/energy drift too large   3.17145043720646     
-   28.3795873836852       split increased to            2  itime      961586 
+ acceleration/energy drift too large   6.57941001170692     
+   25.2706083983021       split increased to            2  itime      960788 
   itsplit           1
-Momenta zeroed out, time           192399.80
- acceleration/energy drift too large   4.90060871637868     
-   28.7628731542163       split increased to            2  itime      962669 
+Momenta zeroed out, time           192199.80
+ acceleration/energy drift too large   5.81054536594996     
+   29.2934975179907       split increased to            2  itime      961204 
   itsplit           1
- acceleration/energy drift too large   3.10460377793444     
-   10.8613948276486       split increased to            2  itime      962726 
+ acceleration/energy drift too large   2.44216031739247     
+   12.6762821518876       split increased to            2  itime      961205 
   itsplit           1
-Momenta zeroed out, time           192599.80
- acceleration/energy drift too large   3.56820149636964     
-   13.7180944833774       split increased to            2  itime      963618 
+ acceleration/energy drift too large   8.22602277184862     
+   29.6016265891437       split increased to            2  itime      961601 
   itsplit           1
- acceleration/energy drift too large   3.90245642334130     
-   20.1986363626579       split increased to            2  itime      963928 
+ acceleration/energy drift too large   6.13221523270448     
+   18.3314715642198       split increased to            2  itime      961920 
   itsplit           1
-Momenta zeroed out, time           192799.80
-Momenta zeroed out, time           192999.80
- acceleration/energy drift too large   8.17889359123504     
-   21.6538154792897       split increased to            2  itime      965104 
+Momenta zeroed out, time           192399.80
+ acceleration/energy drift too large   7.71833250481364     
+   29.3260205359827       split increased to            2  itime      962656 
   itsplit           1
- acceleration/energy drift too large   9.47331263472182     
-   21.0789787669178       split increased to            2  itime      965438 
+ acceleration/energy drift too large   8.34268971252241     
+   26.5707030273309       split increased to            2  itime      962779 
   itsplit           1
-Momenta zeroed out, time           193199.80
- acceleration/energy drift too large   4.20832837014006     
-   17.5699111422518       split increased to            2  itime      966183 
+Momenta zeroed out, time           192599.80
+Momenta zeroed out, time           192799.80
+ acceleration/energy drift too large   6.57357433825984     
+   11.1542347490229       split increased to            2  itime      964111 
   itsplit           1
- acceleration/energy drift too large   4.66041652384572     
-   13.7123359536576       split increased to            2  itime      966454 
+Momenta zeroed out, time           192999.80
+ acceleration/energy drift too large   5.43755351990261     
+   25.0308775606905       split increased to            2  itime      965227 
   itsplit           1
- acceleration/energy drift too large   3.01123372472167     
-   15.6516530915515       split increased to            2  itime      966654 
+ acceleration/energy drift too large   2.03439688024105     
+   18.8445154434888       split increased to            2  itime      965228 
   itsplit           1
- acceleration/energy drift too large   4.68020574438285     
-   25.2047524593695       split increased to            2  itime      966766 
+ acceleration/energy drift too large   6.07502916983926     
+   23.0594117711795       split increased to            2  itime      965595 
   itsplit           1
- acceleration/energy drift too large   3.80563628981561     
-   20.7640683892233       split increased to            2  itime      966838 
+Momenta zeroed out, time           193199.80
+ acceleration/energy drift too large   3.49169207015854     
+   22.1650675749570       split increased to            2  itime      966613 
   itsplit           1
 Momenta zeroed out, time           193399.80
- acceleration/energy drift too large   5.80137155704981     
-   16.0212141437707       split increased to            2  itime      967132 
-  itsplit           1
- acceleration/energy drift too large   7.07018729036129     
-   26.9924374967622       split increased to            2  itime      967767 
-  itsplit           1
 Momenta zeroed out, time           193599.80
- acceleration/energy drift too large   5.77128820695836     
-   11.0430591375053       split increased to            2  itime      968340 
-  itsplit           1
- acceleration/energy drift too large   9.17468877229451     
-   38.5086649345750       split increased to            2  itime      968739 
-  itsplit           1
 Momenta zeroed out, time           193799.80
- acceleration/energy drift too large   4.93973564108628     
-   14.8094249394062       split increased to            2  itime      969200 
-  itsplit           1
- acceleration/energy drift too large   6.88670887875723     
-   18.7563310556845       split increased to            2  itime      969476 
+ acceleration/energy drift too large   6.12909773345602     
+   16.2207934670555       split increased to            2  itime      969681 
   itsplit           1
 Velocities reset to random values, time           193999.80
 Momenta zeroed out, time           193999.80
- acceleration/energy drift too large   2.66981212837774     
-   21.6514706093984       split increased to            2  itime      970527 
+ acceleration/energy drift too large   6.21485514813754     
+   11.5228663402201       split increased to            2  itime      970753 
   itsplit           1
 Momenta zeroed out, time           194199.80
- acceleration/energy drift too large   6.27626382211179     
-   14.6434001415514       split increased to            2  itime      971501 
-  itsplit           1
- acceleration/energy drift too large   4.57578734938293     
-   20.3262875945666       split increased to            2  itime      971743 
-  itsplit           1
- acceleration/energy drift too large   4.90778363201499     
-   11.7896772830727       split increased to            2  itime      971763 
+ acceleration/energy drift too large   2.73095197899428     
+   24.8173505778319       split increased to            2  itime      971741 
   itsplit           1
 Momenta zeroed out, time           194399.80
- acceleration/energy drift too large   5.30157470767127     
-   10.6499923413599       split increased to            2  itime      972249 
-  itsplit           1
- acceleration/energy drift too large   4.57902890440311     
-   14.5120346223527       split increased to            2  itime      972644 
+ acceleration/energy drift too large   12.0042705537662     
+   68.4599100853447       split increased to            2  itime      972122 
   itsplit           1
+ acceleration/energy drift too large   3.02318600881196     
+   17.2644902528030       split increased to            4  itime      972122 
+  itsplit           2
 Momenta zeroed out, time           194599.80
- acceleration/energy drift too large   3.58671716936786     
-   18.6868899505414       split increased to            2  itime      973094 
-  itsplit           1
 Momenta zeroed out, time           194799.80
- acceleration/energy drift too large   4.62735066130945     
-   13.7431907013946       split increased to            2  itime      974707 
-  itsplit           1
 Momenta zeroed out, time           194999.80
- acceleration/energy drift too large   3.38539368716403     
-   12.8380502985546       split increased to            2  itime      975723 
-  itsplit           1
 Momenta zeroed out, time           195199.80
+ acceleration/energy drift too large   2.91369930010102     
+   15.8250612705965       split increased to            2  itime      976093 
+  itsplit           1
 Momenta zeroed out, time           195399.80
- acceleration/energy drift too large   4.30960849740827     
-   13.1030361586565       split increased to            2  itime      977705 
+ acceleration/energy drift too large   5.04432283382870     
+   14.0257333600910       split increased to            2  itime      977310 
   itsplit           1
 Momenta zeroed out, time           195599.80
- acceleration/energy drift too large   4.77795927309439     
-   11.5524685528723       split increased to            2  itime      978332 
-  itsplit           1
 Momenta zeroed out, time           195799.80
- acceleration/energy drift too large   4.03055348966132     
-   17.0437870889821       split increased to            2  itime      979649 
+ acceleration/energy drift too large   5.99361224021016     
+   14.6544619526852       split increased to            2  itime      979883 
   itsplit           1
 Velocities reset to random values, time           195999.80
 Momenta zeroed out, time           195999.80
- acceleration/energy drift too large   6.32320040493006     
-   45.1902056693163       split increased to            2  itime      980523 
+ acceleration/energy drift too large   2.14404907438086     
+   11.4541002390384       split increased to            2  itime      980333 
   itsplit           1
- acceleration/energy drift too large   5.90228293099282     
-   27.8623875146389       split increased to            2  itime      980535 
-  itsplit           1
- acceleration/energy drift too large   5.41736278357048     
-   14.5768067083328       split increased to            2  itime      980732 
-  itsplit           1
- acceleration/energy drift too large   5.23782531459072     
-   10.4644812815864       split increased to            2  itime      980877 
+ acceleration/energy drift too large   4.00465824963740     
+   10.4200024770176       split increased to            2  itime      980689 
   itsplit           1
 Momenta zeroed out, time           196199.80
- acceleration/energy drift too large   3.21218443723267     
-   13.9754511230985       split increased to            2  itime      981165 
-  itsplit           1
- acceleration/energy drift too large   5.30549198974404     
-   19.5588241382528       split increased to            2  itime      981230 
-  itsplit           1
- acceleration/energy drift too large   7.59465450479646     
-   20.9600996588992       split increased to            2  itime      981802 
-  itsplit           1
 Momenta zeroed out, time           196399.80
- acceleration/energy drift too large   4.37374425931489     
-   11.3429242131808       split increased to            2  itime      982271 
-  itsplit           1
- acceleration/energy drift too large   4.03815444247837     
-   16.5298727177122       split increased to            2  itime      982309 
-  itsplit           1
 Momenta zeroed out, time           196599.80
- acceleration/energy drift too large   5.14203290101132     
-   15.7896977682573       split increased to            2  itime      983039 
+ acceleration/energy drift too large   4.29249464214088     
+   16.4221121748444       split increased to            2  itime      983207 
   itsplit           1
- acceleration/energy drift too large   4.24958500731640     
-   18.9751143057843       split increased to            2  itime      983053 
+ acceleration/energy drift too large   5.66163726499774     
+   20.2282864050460       split increased to            2  itime      983650 
   itsplit           1
-Momenta zeroed out, time           196799.80
- acceleration/energy drift too large   7.25486059955028     
-   23.2007313143432       split increased to            2  itime      984687 
-  itsplit           1
- acceleration/energy drift too large   6.41566401169221     
-   40.6738825142731       split increased to            2  itime      984930 
+ acceleration/energy drift too large   4.76524729771268     
+   10.8559880806410       split increased to            2  itime      983800 
   itsplit           1
+Momenta zeroed out, time           196799.80
 Momenta zeroed out, time           196999.80
- acceleration/energy drift too large   3.96678067724843     
-   11.4824631030652       split increased to            2  itime      985024 
+ acceleration/energy drift too large   11.6088308838552     
+   62.7594845113506       split increased to            2  itime      985283 
   itsplit           1
- acceleration/energy drift too large   5.30564465827080     
-   21.9525831914657       split increased to            2  itime      985318 
-  itsplit           1
- acceleration/energy drift too large   5.70018621292241     
-   45.5232126761020       split increased to            2  itime      985514 
+ acceleration/energy drift too large   6.20502714078650     
+   19.5711514100589       split increased to            2  itime      985856 
   itsplit           1
 Momenta zeroed out, time           197199.80
- acceleration/energy drift too large   9.32405421847341     
-   37.4703579100489       split increased to            2  itime      986651 
+ acceleration/energy drift too large   6.27677977897816     
+   18.2171951782769       split increased to            2  itime      986124 
   itsplit           1
 Momenta zeroed out, time           197399.80
- acceleration/energy drift too large   2.14783069450404     
-   10.3284894543532       split increased to            2  itime      987944 
+ acceleration/energy drift too large   4.91213044954791     
+   17.1587315758639       split increased to            2  itime      987277 
   itsplit           1
-Momenta zeroed out, time           197599.80
- acceleration/energy drift too large   3.89760407274711     
-   13.6484680222273       split increased to            2  itime      988037 
+ acceleration/energy drift too large   6.13416914242605     
+   18.6894843883381       split increased to            2  itime      987665 
   itsplit           1
- acceleration/energy drift too large   4.33138068541128     
-   12.5572207622506       split increased to            2  itime      988212 
+ acceleration/energy drift too large   5.86381992191912     
+   13.4779908409195       split increased to            2  itime      987817 
   itsplit           1
+Momenta zeroed out, time           197599.80
 Momenta zeroed out, time           197799.80
 Velocities reset to random values, time           197999.80
 Momenta zeroed out, time           197999.80
- acceleration/energy drift too large   5.49856276898689     
-   31.0414742123125       split increased to            2  itime      990743 
+ acceleration/energy drift too large   4.78734413828953     
+   13.6609250096322       split increased to            2  itime      990486 
   itsplit           1
 Momenta zeroed out, time           198199.80
- acceleration/energy drift too large   5.59671515799239     
-   15.8041568365450       split increased to            2  itime      991263 
+Momenta zeroed out, time           198399.80
+ acceleration/energy drift too large   5.81721519642138     
+   10.5914220860423       split increased to            2  itime      992051 
   itsplit           1
- acceleration/energy drift too large   2.84581888721821     
-   10.8695378093867       split increased to            2  itime      991264 
+ acceleration/energy drift too large   6.37544696161918     
+   18.1335788178930       split increased to            2  itime      992521 
   itsplit           1
-Momenta zeroed out, time           198399.80
-Momenta zeroed out, time           198599.80
- acceleration/energy drift too large   4.64479080779839     
-   21.8466762442867       split increased to            2  itime      993629 
+ acceleration/energy drift too large   5.30525357299718     
+   14.8356270523794       split increased to            2  itime      992626 
   itsplit           1
- acceleration/energy drift too large   6.82402227563620     
-   22.2706159204311       split increased to            2  itime      993782 
+Momenta zeroed out, time           198599.80
+ acceleration/energy drift too large   5.52577749072734     
+   14.9391773359347       split increased to            2  itime      993085 
   itsplit           1
- acceleration/energy drift too large   6.19027212417785     
-   12.1154048341108       split increased to            2  itime      993791 
+ acceleration/energy drift too large   8.86954362033043     
+   20.0067531411369       split increased to            2  itime      993122 
   itsplit           1
 Momenta zeroed out, time           198799.80
- acceleration/energy drift too large   3.07391137645039     
-   10.7534323758247       split increased to            2  itime      994750 
-  itsplit           1
- acceleration/energy drift too large   11.2290426111836     
-   52.8739085717300       split increased to            2  itime      994902 
+ acceleration/energy drift too large   6.58583662335021     
+   21.3551081409374       split increased to            2  itime      994765 
   itsplit           1
 Momenta zeroed out, time           198999.80
+ acceleration/energy drift too large   5.66342376020306     
+   32.0565044781806       split increased to            2  itime      995382 
+  itsplit           1
+ acceleration/energy drift too large   7.32787008915880     
+   11.1645865640362       split increased to            2  itime      995383 
+  itsplit           1
 Momenta zeroed out, time           199199.80
 Momenta zeroed out, time           199399.80
-Momenta zeroed out, time           199599.80
- acceleration/energy drift too large   4.32656617983264     
-   11.6309346962704       split increased to            2  itime      998227 
+ acceleration/energy drift too large   15.4174122275997     
+   121.909647614577       split increased to            2  itime      997475 
   itsplit           1
- acceleration/energy drift too large   4.32019064515807     
-   10.2575453500707       split increased to            2  itime      998368 
-  itsplit           1
- acceleration/energy drift too large   4.46737142272291     
-   14.8570906157195       split increased to            2  itime      998440 
+Momenta zeroed out, time           199599.80
+ acceleration/energy drift too large   10.5472715516360     
+   51.0063590777854       split increased to            2  itime      998147 
   itsplit           1
 Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   7.01889905161273     
-   14.0246647551686       split increased to            2  itime      999119 
-  itsplit           1
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.06270E+02
+                  MD calculations setup:    1.17188E-02
+           Energy & gradient evaluation:    3.73445E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.24109E+02
+                               MD steps:    4.07406E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   330.054687500000       sec
+ Total wall clock time   418.550781250000       sec
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_000.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_000.rst
index e08fee3..ba05e62 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_000.rst
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_000.rst
@@ -1,90 +1,90 @@
-   200000.000002666        31.7837889185679       -32.2835005334247     
- -0.499711614856750        300.000000000000     
+   200000.000002666        28.1537037088690       -38.7972811255083     
+  -10.6435774166393        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.21760E+00    0.43331E-01    0.37469E+00
-    0.21222E-01   -0.30805E+00   -0.48613E+00
-   -0.16342E+00    0.24666E+00    0.34152E+00
-    0.37912E+00   -0.13113E+00   -0.15764E+00
-   -0.33626E+00    0.21671E+00    0.99779E-01
-    0.23256E+00    0.15878E-01    0.35674E-01
-    0.52097E-01   -0.67059E-01    0.46249E-01
-   -0.19661E+00   -0.50700E-01   -0.21128E+00
-   -0.39137E-02   -0.12518E+00    0.26233E+00
-    0.37906E-01    0.14908E+00   -0.24171E+00
-   -0.94765E-01   -0.64878E-01    0.10128E+00
-   -0.15766E+00    0.20389E+00    0.47990E-01
-    0.43518E+00   -0.66498E-01   -0.12478E+00
-   -0.31527E+00   -0.53939E-01    0.19198E-01
-    0.27281E+00   -0.19178E+00   -0.46170E-01
-   -0.20496E+00    0.13749E+00    0.36613E-01
-    0.11035E+00    0.53918E-01    0.53610E-01
-   -0.57289E-01    0.15650E+00    0.85240E-01
-    0.15514E-01   -0.36703E-01    0.13729E+00
+    0.17767E+00    0.80303E-01   -0.22543E+00
+   -0.32152E+00   -0.20187E+00   -0.12322E+00
+    0.90466E-01    0.80386E-01    0.26076E+00
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     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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-    0.67534E-01   -0.24271E-01   -0.19813E+00
-    0.14125E+00    0.10661E+00    0.19260E+00
-    0.21156E+00    0.21596E-02   -0.59988E-01
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+    0.74154E-01    0.39081E-01   -0.36596E-01
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     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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     0.00000E+00    0.00000E+00    0.00000E+00
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     0.00000E+00    0.00000E+00    0.00000E+00
     0.38605E+01    0.00000E+00    0.00000E+00
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     0.00000E+00    0.00000E+00    0.00000E+00
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+   -0.46547E+00    0.18207E+00   -0.12528E+01
+    0.98813E+00   -0.44445E+00    0.80524E+00
+    0.10519E+01   -0.36955E+00    0.19747E+00
     0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_001.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_001.rst
index f231c7a..b696641 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_001.rst
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_001.rst
@@ -1,90 +1,90 @@
-   200000.000002666        26.3061809821410       -25.1962278140697     
-   1.10995316807134        300.000000000000     
+   200000.000002666        24.8352505217026       -35.5381393006375     
+  -10.7028887789349        300.000000000000     
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diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_002.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_002.rst
index 03be731..74360e5 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_002.rst
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_002.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_003.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_003.rst
index 4da66d5..fa6ca67 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_003.rst
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_003.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_004.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_004.rst
index 03d1d7f..be2cdc6 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_004.rst
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_004.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_005.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_005.rst
index d1c448e..c5c6086 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_005.rst
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_005.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_006.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_006.rst
index 92adf93..c5fc76b 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_006.rst
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_006.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_007.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_007.rst
index 07133f7..0442a46 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_007.rst
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_007.rst
@@ -1,90 +1,90 @@
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+   -0.10308E+01    0.12096E+01   -0.70693E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.14446E+00    0.11525E+01    0.64721E+00
-   -0.10891E+01   -0.43240E+00    0.81729E-01
-    0.21489E+00    0.87326E+00    0.60193E+00
+   -0.78505E+00   -0.35377E+00    0.10481E+01
+   -0.10168E+01    0.35915E+00    0.44725E+00
+    0.77045E+00   -0.92137E+00    0.14829E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.86126E+00    0.27062E+01   -0.11001E+01
-   -0.10109E+01   -0.42156E+00   -0.83299E+00
-    0.13192E+01    0.14907E+00   -0.12300E+00
-   -0.11742E+01   -0.45830E+00    0.39663E+00
-    0.59663E+00    0.95138E+00   -0.20610E+00
+    0.76520E+00    0.28733E+01   -0.44971E+00
+    0.86411E+00    0.97124E+00    0.97241E-01
+   -0.13235E+01   -0.40798E-01   -0.40855E+00
+    0.25409E+00    0.12384E+00    0.12872E+01
+   -0.59856E+00   -0.73595E+00    0.74839E+00
     0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB000.stat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB000.stat
index a4c0a83..1c12988 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB000.stat
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB000.stat
@@ -1,101 +1,101 @@
          0           0.00      30.764     662.810     693.574   0.00 1.000 0.000 0.308 8.660     279.110     300.000       7.001    0 
-     10000        2000.00      26.510     -32.084      -5.574   2.65 0.429 0.455 0.298 1.846     240.513     300.000       6.888    0 
-     20000        4000.00      39.798     -24.835      14.963   5.10 0.143 0.667 0.295 3.374     361.070     300.000       7.570    0 
-     30000        6000.00      34.832     -17.872      16.959   5.70 0.071 0.800 0.209 1.685     316.011     300.000       7.310    0 
-     40000        8000.00      33.402     -32.338       1.063   4.28 0.286 0.500 0.188 2.335     303.036     300.000       7.743    0 
-     50000       10000.00      31.303     -35.337      -4.034   6.14 0.286 0.636 0.248 1.354     284.001     300.000       7.101    0 
-     60000       12000.00      31.648     -20.246      11.402   4.13 0.071 0.833 0.242 1.415     287.128     300.000       7.326    0 
-     70000       14000.00      33.642     -39.019      -5.377   2.81 0.286 0.667 0.273 1.758     305.216     300.000       6.555    0 
-     80000       16000.00      34.779     -25.681       9.098   2.71 0.286 0.556 0.288 1.557     315.532     300.000       7.045    0 
-     90000       18000.00      28.461     -32.616      -4.154   4.12 0.214 0.667 0.384 1.308     258.215     300.000       7.314    0 
-    100000       20000.00      29.116     -41.028     -11.912   2.94 0.429 0.538 0.252 1.121     264.159     300.000       6.922    0 
-    110000       22000.00      24.067     -25.160      -1.093   4.55 0.286 0.667 0.307 1.259     218.348     300.000       6.878    0 
-    120000       24000.00      27.917     -29.690      -1.773   3.15 0.500 0.417 0.318 1.975     253.276     300.000       6.532    0 
-    130000       26000.00      36.052     -43.671      -7.619   4.36 0.286 0.667 0.311 1.159     327.085     300.000       6.660    0 
-    140000       28000.00      24.907     -19.435       5.472   5.22 0.214 0.500 0.182 2.720     225.966     300.000       7.529    0 
-    150000       30000.00      29.244     -23.877       5.368   4.50 0.071 0.875 0.369 2.982     265.318     300.000       7.727    0 
-    160000       32000.00      24.678     -24.394       0.284   4.23 0.286 0.429 0.208 2.511     223.892     300.000       7.728    0 
-    170000       34000.00      30.818     -26.181       4.637   3.48 0.286 0.636 0.256 2.465     279.597     300.000       7.254    0 
-    180000       36000.00      24.462     -23.484       0.978   5.02 0.214 0.727 0.277 1.894     221.936     300.000       7.125    0 
-    190000       38000.00      29.724     -39.429      -9.705   4.54 0.286 0.667 0.333 1.987     269.669     300.000       6.901    0 
-    200000       40000.00      32.295     -18.862      13.432   6.65 0.214 0.625 0.210 3.095     292.993     300.000       7.746    0 
-    210000       42000.00      35.436     -38.912      -3.476   5.45 0.357 0.545 0.252 2.014     321.497     300.000       6.861    0 
-    220000       44000.00      31.731     -32.844      -1.113   5.08 0.286 0.636 0.256 0.789     287.878     300.000       6.980    0 
-    230000       46000.00      28.508     -24.344       4.163   5.68 0.143 0.750 0.256 0.977     258.637     300.000       8.386    0 
-    240000       48000.00      29.514     -38.376      -8.862   5.87 0.286 0.636 0.223 0.896     267.763     300.000       7.138    0 
-    250000       50000.00      27.146     -30.567      -3.420   6.60 0.357 0.375 0.182 0.958     246.285     300.000       8.016    0 
-    260000       52000.00      31.657     -24.499       7.158   4.31 0.214 0.571 0.221 2.307     287.204     300.000       7.764    0 
-    270000       54000.00      37.995     -37.740       0.256   2.24 0.500 0.533 0.339 1.412     344.712     300.000       6.683    0 
-    280000       56000.00      28.361     -24.186       4.174   5.85 0.071 0.833 0.205 1.086     257.303     300.000       8.071    0 
-    290000       58000.00      21.157     -31.056      -9.899   1.90 0.357 0.545 0.393 2.004     191.949     300.000       6.830    0 
-    300000       60000.00      26.140     -21.424       4.716   3.65 0.214 0.700 0.464 2.317     237.159     300.000       6.969    0 
-    310000       62000.00      31.794     -33.012      -1.218   3.28 0.357 0.643 0.263 2.235     288.451     300.000       6.731    0 
-    320000       64000.00      29.177     -35.879      -6.702   3.09 0.214 0.500 0.341 1.278     264.706     300.000       6.973    0 
-    330000       66000.00      29.000     -18.117      10.884   3.10 0.357 0.375 0.301 2.008     263.107     300.000       6.678    0 
-    340000       68000.00      28.978     -43.094     -14.116   3.62 0.286 0.600 0.368 2.271     262.908     300.000       6.541    0 
-    350000       70000.00      24.603     -36.929     -12.326   4.93 0.286 0.714 0.286 2.870     223.207     300.000       7.235    0 
-    360000       72000.00      23.175     -28.131      -4.956   6.33 0.071 0.875 0.273 0.784     210.258     300.000       7.483    0 
-    370000       74000.00      24.369     -30.332      -5.963   3.59 0.214 0.667 0.409 0.972     221.091     300.000       7.537    0 
-    380000       76000.00      25.810     -37.330     -11.520   5.00 0.143 0.818 0.277 1.073     234.161     300.000       7.167    0 
-    390000       78000.00      31.817     -28.802       3.015   5.47 0.214 0.625 0.381 1.486     288.659     300.000       7.037    0 
-    400000       80000.00      31.941     -29.854       2.087   4.20 0.214 0.700 0.241 2.047     289.783     300.000       6.997    0 
-    410000       82000.00      22.799     -33.379     -10.579   7.27 0.143 0.714 0.221 1.606     206.848     300.000       7.937    0 
-    420000       84000.00      34.843     -26.242       8.601   3.10 0.143 0.750 0.312 1.949     316.114     300.000       7.718    0 
-    430000       86000.00      29.000     -40.646     -11.646   3.59 0.214 0.812 0.281 2.657     263.103     300.000       6.888    0 
-    440000       88000.00      32.642     -20.989      11.653   4.63 0.214 0.625 0.290 3.245     296.143     300.000       7.243    0 
-    450000       90000.00      27.517     -37.033      -9.516   4.27 0.357 0.500 0.477 1.752     249.652     300.000       7.366    0 
-    460000       92000.00      35.941     -31.570       4.372   4.88 0.143 0.714 0.201 1.640     326.078     300.000       7.810    0 
-    470000       94000.00      29.066     -30.229      -1.163   3.46 0.286 0.636 0.322 2.777     263.703     300.000       6.847    0 
-    480000       96000.00      30.652     -35.304      -4.652   4.57 0.357 0.615 0.248 1.427     278.088     300.000       7.510    0 
-    490000       98000.00      31.756     -38.233      -6.476   3.48 0.143 0.800 0.318 0.871     288.110     300.000       6.519    0 
-    500000      100000.00      32.963     -35.776      -2.813   3.37 0.214 0.700 0.423 2.573     299.059     300.000       7.238    0 
-    510000      102000.00      26.763     -46.570     -19.807   4.04 0.286 0.778 0.346 1.321     242.808     300.000       6.643    0 
-    520000      104000.00      28.177     -27.396       0.780   3.19 0.286 0.556 0.394 1.025     255.632     300.000       7.184    0 
-    530000      106000.00      26.500     -33.717      -7.217   2.61 0.357 0.545 0.248 1.734     240.419     300.000       6.954    0 
-    540000      108000.00      30.273     -40.000      -9.728   3.59 0.286 0.692 0.395 1.537     274.650     300.000       6.574    0 
-    550000      110000.00      32.879     -37.871      -4.991   3.11 0.357 0.615 0.311 2.313     298.298     300.000       6.554    0 
-    560000      112000.00      29.196     -33.222      -4.026   3.54 0.214 0.571 0.461 1.417     264.879     300.000       7.409    0 
-    570000      114000.00      32.929     -37.006      -4.077   4.10 0.286 0.500 0.290 2.465     298.748     300.000       7.207    0 
-    580000      116000.00      42.463     -31.999      10.464   3.28 0.214 0.625 0.182 2.619     385.249     300.000       7.669    0 
-    590000      118000.00      22.844     -20.097       2.747   6.78 0.286 0.333 0.167 1.444     207.250     300.000       9.666    0 
-    600000      120000.00      26.453     -17.070       9.383   4.53 0.071 0.857 0.175 1.358     239.998     300.000       8.123    0 
-    610000      122000.00      34.215     -32.021       2.194   6.94 0.286 0.500 0.205 1.084     310.414     300.000       7.908    0 
-    620000      124000.00      31.542     -23.569       7.973   6.07 0.071 0.889 0.207 1.970     286.164     300.000       7.989    0 
-    630000      126000.00      27.492     -21.976       5.516   6.85 0.214 0.667 0.207 0.799     249.423     300.000       8.399    0 
-    640000      128000.00      32.622     -32.298       0.324   6.17 0.214 0.400 0.173 1.239     295.961     300.000       7.690    0 
-    650000      130000.00      33.540     -33.811      -0.271   4.92 0.286 0.714 0.273 1.263     304.292     300.000       7.236    0 
-    660000      132000.00      22.311     -35.425     -13.113   6.45 0.143 0.833 0.367 2.735     202.421     300.000       6.667    0 
-    670000      134000.00      38.908     -31.225       7.683   4.20 0.286 0.733 0.376 1.937     352.993     300.000       7.362    0 
-    680000      136000.00      29.324     -24.337       4.987   6.59 0.214 0.727 0.219 1.490     266.040     300.000       9.055    0 
-    690000      138000.00      27.614     -23.104       4.510   7.14 0.357 0.286 0.156 1.586     250.525     300.000       8.699    0 
-    700000      140000.00      24.308     -30.410      -6.102   2.49 0.357 0.444 0.207 1.830     220.537     300.000       7.252    0 
-    710000      142000.00      28.880     -27.134       1.746   3.53 0.429 0.455 0.368 1.002     262.014     300.000       6.668    0 
-    720000      144000.00      28.352     -24.311       4.041   3.89 0.071 0.833 0.265 1.261     257.227     300.000       8.431    0 
-    730000      146000.00      31.960     -31.705       0.255   4.58 0.143 0.846 0.360 1.440     289.956     300.000       6.518    0 
-    740000      148000.00      24.844     -36.938     -12.093   4.79 0.357 0.643 0.305 2.734     225.400     300.000       7.345    0 
-    750000      150000.00      29.624     -32.073      -2.450   2.51 0.357 0.500 0.250 1.229     268.761     300.000       6.854    0 
-    760000      152000.00      30.823     -24.096       6.727   3.35 0.286 0.333 0.212 2.320     279.645     300.000       8.061    0 
-    770000      154000.00      25.195     -38.439     -13.244   2.52 0.429 0.500 0.322 1.384     228.585     300.000       7.019    0 
-    780000      156000.00      27.865     -17.467      10.399   7.68 0.071 0.857 0.162 2.123     252.807     300.000       9.484    0 
-    790000      158000.00      25.573     -25.717      -0.144   6.75 0.214 0.667 0.227 1.592     232.012     300.000       6.996    0 
-    800000      160000.00      29.304     -40.321     -11.017   4.96 0.214 0.625 0.290 1.223     265.864     300.000       7.111    0 
-    810000      162000.00      32.632     -42.750     -10.118   4.17 0.357 0.615 0.287 1.042     296.053     300.000       6.989    0 
-    820000      164000.00      28.660     -31.813      -3.153   5.82 0.143 0.833 0.303 1.053     260.019     300.000       6.821    0 
-    830000      166000.00      33.225     -22.755      10.470   4.91 0.143 0.714 0.383 4.051     301.432     300.000       7.801    0 
-    840000      168000.00      26.325     -31.278      -4.952   4.70 0.286 0.500 0.347 1.720     238.838     300.000       7.598    0 
-    850000      170000.00      26.423     -27.863      -1.440   4.96 0.357 0.500 0.282 1.698     239.728     300.000       7.499    0 
-    860000      172000.00      29.712     -32.291      -2.579   5.97 0.214 0.727 0.306 1.935     269.559     300.000       7.059    0 
-    870000      174000.00      33.859     -34.082      -0.222   5.91 0.071 0.909 0.401 1.422     307.188     300.000       6.800    0 
-    880000      176000.00      26.937     -29.464      -2.527   3.93 0.214 0.625 0.307 1.628     244.382     300.000       8.002    0 
-    890000      178000.00      27.914     -20.027       7.887   8.80 0.143 0.500 0.159 2.056     253.254     300.000      10.480    0 
-    900000      180000.00      32.211     -29.087       3.123   5.07 0.143 0.667 0.303 1.249     292.234     300.000       7.655    0 
-    910000      182000.00      31.120     -32.043      -0.923   8.56 0.214 0.625 0.170 1.598     282.335     300.000      11.571    0 
-    920000      184000.00      27.250     -20.932       6.318   5.72 0.143 0.800 0.186 2.509     247.229     300.000       7.405    0 
-    930000      186000.00      26.174     -26.107       0.066   7.20 0.214 0.700 0.186 1.361     237.462     300.000       8.102    0 
-    940000      188000.00      28.546     -30.198      -1.652   3.89 0.214 0.750 0.280 2.240     258.985     300.000       6.889    0 
-    950000      190000.00      27.252     -20.021       7.232   3.76 0.143 0.714 0.448 1.946     247.249     300.000       8.169    0 
-    960000      192000.00      25.896     -37.415     -11.518   5.14 0.214 0.667 0.247 2.479     234.944     300.000       7.202    0 
-    970000      194000.00      31.993     -17.776      14.217   4.04 0.214 0.625 0.256 1.433     290.257     300.000       7.607    0 
-    980000      196000.00      29.036     -33.582      -4.546   4.15 0.286 0.600 0.305 1.636     263.427     300.000       6.772    0 
-    990000      198000.00      32.531     -35.074      -2.544   3.18 0.214 0.786 0.419 1.844     295.134     300.000       6.466    0 
-   1000000      200000.00      31.784     -32.284      -0.500   3.64 0.357 0.500 0.350 0.848     288.359     300.000       7.795    0 
+     10000        2000.00      28.652     -27.255       1.397   4.13 0.071 0.857 0.201 1.479     259.947     300.000       7.628    0 
+     20000        4000.00      36.644     -30.064       6.580   3.66 0.357 0.643 0.299 2.501     332.450     300.000       6.851    0 
+     30000        6000.00      30.680     -31.129      -0.449   3.64 0.071 0.833 0.242 1.165     278.348     300.000       7.576    0 
+     40000        8000.00      31.170     -20.246      10.924   5.08 0.357 0.375 0.170 2.323     282.791     300.000       8.815    0 
+     50000       10000.00      26.216     -28.631      -2.415   4.00 0.286 0.733 0.403 1.529     237.849     300.000       6.450    0 
+     60000       12000.00      28.713     -30.135      -1.422   2.38 0.429 0.600 0.312 3.494     260.496     300.000       6.981    0 
+     70000       14000.00      33.236     -33.863      -0.628   2.75 0.286 0.556 0.202 2.212     301.531     300.000       7.397    0 
+     80000       16000.00      39.032     -27.608      11.425   2.50 0.286 0.667 0.299 1.727     354.122     300.000       7.012    0 
+     90000       18000.00      23.321     -26.333      -3.012   3.32 0.286 0.636 0.326 1.413     211.580     300.000       6.828    0 
+    100000       20000.00      25.909     -19.289       6.619   4.55 0.071 0.833 0.485 0.992     235.056     300.000       7.318    0 
+    110000       22000.00      26.313     -22.724       3.589   4.94 0.357 0.667 0.342 1.418     238.726     300.000       7.738    0 
+    120000       24000.00      27.433     -24.431       3.002   2.90 0.286 0.636 0.310 2.017     248.883     300.000       7.319    0 
+    130000       26000.00      32.098     -28.679       3.419   3.44 0.214 0.727 0.417 1.108     291.213     300.000       7.016    0 
+    140000       28000.00      29.807     -34.283      -4.476   6.58 0.214 0.769 0.210 1.074     270.424     300.000       7.516    0 
+    150000       30000.00      31.150     -10.023      21.127   5.93 0.286 0.429 0.156 2.221     282.610     300.000       9.859    0 
+    160000       32000.00      31.595     -26.087       5.507   6.83 0.143 0.667 0.174 2.169     286.642     300.000       8.368    0 
+    170000       34000.00      33.435     -28.742       4.693   6.86 0.214 0.667 0.222 1.289     303.339     300.000       7.538    0 
+    180000       36000.00      26.225     -23.581       2.644   3.30 0.214 0.667 0.308 1.619     237.926     300.000       7.405    0 
+    190000       38000.00      28.620     -25.298       3.322   6.33 0.071 0.857 0.208 2.064     259.651     300.000       9.132    0 
+    200000       40000.00      31.791     -26.700       5.091   4.46 0.214 0.769 0.402 2.187     288.427     300.000       6.877    0 
+    210000       42000.00      33.590     -28.607       4.983   6.53 0.071 0.875 0.244 1.697     304.748     300.000       7.826    0 
+    220000       44000.00      31.356     -36.056      -4.700   5.75 0.286 0.636 0.302 1.178     284.480     300.000       6.848    0 
+    230000       46000.00      27.294     -33.948      -6.654   7.19 0.286 0.636 0.190 1.894     247.625     300.000       7.743    0 
+    240000       48000.00      33.542     -31.485       2.057   2.68 0.286 0.600 0.318 1.872     304.312     300.000       7.329    0 
+    250000       50000.00      23.451     -34.520     -11.070   4.48 0.286 0.692 0.329 0.996     212.755     300.000       7.103    0 
+    260000       52000.00      28.536     -28.895      -0.360   3.36 0.286 0.556 0.222 1.570     258.889     300.000       7.597    0 
+    270000       54000.00      34.164     -19.818      14.346   6.11 0.071 0.800 0.209 1.571     309.957     300.000       8.825    0 
+    280000       56000.00      24.498     -22.371       2.126   6.31 0.214 0.625 0.199 1.752     222.257     300.000       8.539    0 
+    290000       58000.00      27.026     -31.895      -4.869   5.28 0.357 0.545 0.360 1.317     245.194     300.000       6.755    0 
+    300000       60000.00      31.835     -32.514      -0.678   6.35 0.214 0.750 0.273 1.397     288.826     300.000       6.843    0 
+    310000       62000.00      25.387     -20.593       4.794   6.93 0.214 0.625 0.170 1.717     230.321     300.000       8.578    0 
+    320000       64000.00      31.398     -28.364       3.034   4.87 0.357 0.500 0.386 1.703     284.856     300.000       6.988    0 
+    330000       66000.00      29.908     -10.851      19.058   6.29 0.143 0.714 0.273 1.720     271.344     300.000       7.105    0 
+    340000       68000.00      33.069     -25.509       7.560   4.94 0.214 0.571 0.305 1.793     300.019     300.000       6.926    0 
+    350000       70000.00      25.331     -27.358      -2.027   3.03 0.214 0.500 0.417 1.202     229.818     300.000       7.665    0 
+    360000       72000.00      22.767     -19.731       3.036   3.75 0.286 0.500 0.210 1.282     206.553     300.000       8.196    0 
+    370000       74000.00      25.006     -30.552      -5.545   4.40 0.214 0.769 0.301 1.543     226.872     300.000       7.424    0 
+    380000       76000.00      27.028     -36.182      -9.154   4.45 0.143 0.818 0.376 1.373     245.214     300.000       6.652    0 
+    390000       78000.00      36.665     -28.118       8.548   3.56 0.357 0.500 0.282 1.798     332.647     300.000       6.780    0 
+    400000       80000.00      29.721     -33.404      -3.683   2.79 0.286 0.500 0.244 1.396     269.644     300.000       7.691    0 
+    410000       82000.00      27.742     -36.053      -8.311   7.14 0.357 0.583 0.186 1.321     251.690     300.000       7.371    0 
+    420000       84000.00      33.737     -23.323      10.413   4.10 0.214 0.667 0.278 3.141     306.079     300.000       6.865    0 
+    430000       86000.00      28.013     -24.686       3.327   3.19 0.214 0.625 0.318 1.641     254.146     300.000       7.760    0 
+    440000       88000.00      31.963     -37.841      -5.878   3.46 0.286 0.556 0.364 1.844     289.989     300.000       6.802    0 
+    450000       90000.00      26.149     -41.555     -15.406   4.33 0.286 0.600 0.414 1.365     237.234     300.000       7.148    0 
+    460000       92000.00      37.864     -28.010       9.853   5.23 0.143 0.714 0.325 2.352     343.517     300.000       7.011    0 
+    470000       94000.00      33.601     -32.396       1.205   4.90 0.286 0.733 0.361 2.049     304.843     300.000       6.558    0 
+    480000       96000.00      26.132     -20.217       5.915   5.82 0.214 0.625 0.250 1.492     237.082     300.000       7.172    0 
+    490000       98000.00      32.786     -29.962       2.825   3.92 0.143 0.778 0.293 0.960     297.455     300.000       7.131    0 
+    500000      100000.00      31.363     -29.992       1.370   3.76 0.500 0.417 0.364 2.224     284.537     300.000       7.440    0 
+    510000      102000.00      24.184     -27.985      -3.801   4.13 0.143 0.714 0.364 1.777     219.411     300.000       8.159    0 
+    520000      104000.00      29.926     -29.092       0.834   4.17 0.286 0.556 0.192 2.158     271.503     300.000       7.400    0 
+    530000      106000.00      28.599     -26.389       2.211   3.62 0.357 0.444 0.177 1.268     259.469     300.000       7.373    0 
+    540000      108000.00      24.973     -38.229     -13.257   3.62 0.357 0.583 0.413 1.471     226.564     300.000       6.346    0 
+    550000      110000.00      31.449     -31.295       0.154   2.55 0.357 0.545 0.331 1.904     285.319     300.000       6.937    0 
+    560000      112000.00      28.608     -34.221      -5.614   5.48 0.214 0.571 0.318 1.422     259.544     300.000       6.884    0 
+    570000      114000.00      30.426     -28.075       2.351   4.69 0.286 0.636 0.269 1.644     276.042     300.000       7.332    0 
+    580000      116000.00      40.150     -22.119      18.031   3.05 0.143 0.778 0.247 2.143     364.263     300.000       7.550    0 
+    590000      118000.00      23.262     -27.456      -4.194   4.30 0.214 0.667 0.328 1.412     211.044     300.000       7.104    0 
+    600000      120000.00      28.516     -40.656     -12.141   3.50 0.286 0.636 0.302 1.682     258.708     300.000       6.893    0 
+    610000      122000.00      36.619     -41.475      -4.856   3.23 0.357 0.615 0.388 2.139     332.226     300.000       6.443    0 
+    620000      124000.00      34.404     -27.964       6.441   2.90 0.286 0.667 0.246 1.772     312.134     300.000       7.118    0 
+    630000      126000.00      28.018     -29.642      -1.624   2.89 0.143 0.714 0.273 1.743     254.194     300.000       7.054    0 
+    640000      128000.00      33.137     -37.827      -4.689   2.63 0.286 0.636 0.322 0.701     300.640     300.000       6.506    0 
+    650000      130000.00      28.826     -28.162       0.663   3.39 0.357 0.722 0.326 1.559     261.520     300.000       6.371    0 
+    660000      132000.00      26.129     -33.525      -7.396   5.88 0.143 0.818 0.326 1.892     237.052     300.000       6.993    0 
+    670000      134000.00      33.984     -42.380      -8.396   4.92 0.357 0.545 0.281 1.268     308.320     300.000       7.389    0 
+    680000      136000.00      27.832     -27.964      -0.132   3.84 0.286 0.556 0.293 1.894     252.506     300.000       7.897    0 
+    690000      138000.00      30.907     -29.010       1.896   5.87 0.143 0.778 0.298 2.006     280.401     300.000       8.593    0 
+    700000      140000.00      26.387     -27.164      -0.778   4.64 0.214 0.700 0.382 1.160     239.395     300.000       6.762    0 
+    710000      142000.00      26.762     -30.365      -3.603   4.76 0.214 0.727 0.248 1.678     242.800     300.000       6.800    0 
+    720000      144000.00      28.520     -30.189      -1.669   3.10 0.357 0.444 0.328 2.462     258.748     300.000       6.998    0 
+    730000      146000.00      34.051     -34.596      -0.545   2.64 0.286 0.556 0.293 1.956     308.927     300.000       7.091    0 
+    740000      148000.00      26.573     -37.260     -10.686   6.86 0.286 0.600 0.205 0.981     241.087     300.000       7.610    0 
+    750000      150000.00      28.400     -35.475      -7.076   4.57 0.286 0.667 0.273 2.699     257.658     300.000       6.825    0 
+    760000      152000.00      31.268     -23.017       8.252   3.69 0.071 0.857 0.403 2.238     283.684     300.000       7.782    0 
+    770000      154000.00      28.073     -28.599      -0.527   4.68 0.071 0.800 0.182 1.447     254.689     300.000       8.235    0 
+    780000      156000.00      32.918     -19.096      13.822   4.43 0.143 0.714 0.325 1.111     298.647     300.000       7.339    0 
+    790000      158000.00      27.623     -27.210       0.412   4.53 0.214 0.727 0.310 1.838     250.609     300.000       6.727    0 
+    800000      160000.00      25.473     -33.314      -7.841   3.03 0.286 0.778 0.328 1.214     231.101     300.000       6.532    0 
+    810000      162000.00      25.850     -29.942      -4.091   3.33 0.143 0.818 0.269 1.761     234.528     300.000       7.003    0 
+    820000      164000.00      29.992     -21.239       8.752   7.19 0.286 0.429 0.182 1.486     272.101     300.000      10.813    0 
+    830000      166000.00      31.806     -34.186      -2.380   3.32 0.286 0.750 0.381 1.261     288.560     300.000       6.416    0 
+    840000      168000.00      33.236     -40.467      -7.231   2.21 0.643 0.400 0.312 0.990     301.537     300.000       6.600    0 
+    850000      170000.00      25.600     -36.713     -11.113   3.43 0.286 0.500 0.369 1.646     232.257     300.000       6.918    0 
+    860000      172000.00      28.781     -39.987     -11.206   4.58 0.357 0.643 0.250 1.049     261.120     300.000       7.025    0 
+    870000      174000.00      33.927     -20.478      13.450   2.94 0.286 0.500 0.273 1.539     307.807     300.000       7.335    0 
+    880000      176000.00      25.519     -36.052     -10.533   4.00 0.571 0.556 0.348 1.568     231.522     300.000       6.842    0 
+    890000      178000.00      26.439     -30.897      -4.458   6.41 0.071 0.833 0.189 1.398     239.868     300.000       8.369    0 
+    900000      180000.00      32.030     -36.759      -4.729   3.22 0.357 0.667 0.273 1.452     290.593     300.000       6.779    0 
+    910000      182000.00      27.372     -29.850      -2.479   2.86 0.286 0.600 0.218 0.893     248.329     300.000       7.449    0 
+    920000      184000.00      28.929     -44.181     -15.252   2.03 0.714 0.375 0.304 0.948     262.461     300.000       6.970    0 
+    930000      186000.00      27.297     -39.466     -12.169   3.05 0.429 0.400 0.232 0.912     247.651     300.000       6.936    0 
+    940000      188000.00      32.900     -35.910      -3.010   2.91 0.429 0.400 0.341 2.141     298.482     300.000       6.934    0 
+    950000      190000.00      24.533     -15.083       9.450   4.52 0.286 0.600 0.364 2.172     222.574     300.000       8.312    0 
+    960000      192000.00      26.406     -31.236      -4.830   3.93 0.286 0.692 0.280 2.161     239.568     300.000       7.209    0 
+    970000      194000.00      30.924     -23.226       7.698   3.39 0.214 0.625 0.188 2.231     280.554     300.000       8.761    0 
+    980000      196000.00      27.721     -39.488     -11.767   5.66 0.000 1.000 0.356 2.050     251.499     300.000       6.993    0 
+    990000      198000.00      30.277     -30.295      -0.018   2.84 0.143 0.833 0.333 1.140     274.685     300.000       7.179    0 
+   1000000      200000.00      28.154     -38.797     -10.644   6.18 0.286 0.733 0.321 1.249     255.425     300.000       6.703    0 
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB001.stat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB001.stat
index ec5d85a..d822933 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB001.stat
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB001.stat
@@ -1,101 +1,101 @@
          0           0.00      30.038     662.810     692.847   0.00 1.000 0.000 0.308 8.660     272.518     300.000       7.001    1 
-     10000        2000.00      24.750     -26.721      -1.972   7.09 0.286 0.556 0.192 1.969     224.542     300.000       7.657    1 
-     20000        4000.00      30.607     -16.641      13.966   5.35 0.286 0.600 0.218 2.227     277.682     300.000       7.303    1 
-     30000        6000.00      28.986     -18.496      10.490   5.62 0.071 0.833 0.235 1.387     262.974     300.000       7.509    1 
-     40000        8000.00      27.008     -17.463       9.546   7.95 0.143 0.600 0.300 1.291     245.035     300.000      10.012    1 
-     50000       10000.00      32.616     -25.147       7.469   4.76 0.286 0.600 0.268 1.034     295.909     300.000       7.287    1 
-     60000       12000.00      29.006     -26.748       2.258   6.35 0.143 0.600 0.200 0.870     263.154     300.000       7.306    1 
-     70000       14000.00      33.645     -19.998      13.648   5.30 0.071 0.800 0.164 2.333     305.249     300.000       8.422    1 
-     80000       16000.00      25.869     -29.926      -4.057   4.31 0.143 0.667 0.258 0.594     234.697     300.000       7.762    1 
-     90000       18000.00      26.375     -16.721       9.654   6.28 0.071 0.750 0.170 2.053     239.288     300.000      10.180    1 
-    100000       20000.00      25.062     -25.234      -0.172   3.09 0.071 0.800 0.309 2.591     227.376     300.000       7.853    1 
-    110000       22000.00      34.685     -29.808       4.877   3.80 0.214 0.625 0.170 0.993     314.682     300.000       9.025    1 
-    120000       24000.00      30.494     -41.525     -11.031   4.95 0.286 0.600 0.236 1.285     276.655     300.000       7.099    1 
-    130000       26000.00      25.782     -23.528       2.254   4.36 0.143 0.714 0.273 1.243     233.905     300.000       7.865    1 
-    140000       28000.00      25.470     -35.328      -9.858   5.09 0.286 0.600 0.314 1.266     231.075     300.000       6.835    1 
-    150000       30000.00      26.518     -21.551       4.968   6.17 0.071 0.833 0.341 1.792     240.587     300.000       7.418    1 
-    160000       32000.00      24.371     -43.269     -18.898   3.94 0.429 0.333 0.217 1.085     221.106     300.000       7.091    1 
-    170000       34000.00      34.318     -44.493     -10.175   5.24 0.286 0.636 0.248 1.301     311.353     300.000       7.069    1 
-    180000       36000.00      27.344     -34.102      -6.758   3.73 0.143 0.833 0.375 1.830     248.080     300.000       7.430    1 
-    190000       38000.00      37.345     -18.450      18.895   4.27 0.143 0.600 0.191 2.380     338.809     300.000       7.964    1 
-    200000       40000.00      22.890     -29.125      -6.235   4.76 0.143 0.833 0.330 0.935     207.674     300.000       7.202    1 
-    210000       42000.00      33.119     -27.509       5.610   6.16 0.143 0.714 0.195 0.721     300.472     300.000       6.918    1 
-    220000       44000.00      27.069     -41.438     -14.369   5.01 0.143 0.800 0.291 1.499     245.585     300.000       7.158    1 
-    230000       46000.00      37.584     -37.612      -0.029   4.43 0.286 0.600 0.318 2.668     340.977     300.000       7.049    1 
-    240000       48000.00      31.011     -29.730       1.281   4.34 0.357 0.722 0.323 1.985     281.348     300.000       7.029    1 
-    250000       50000.00      27.549     -25.958       1.592   5.29 0.143 0.500 0.182 1.827     249.943     300.000       7.553    1 
-    260000       52000.00      27.966     -33.717      -5.751   5.41 0.143 0.600 0.173 1.702     253.722     300.000       8.528    1 
-    270000       54000.00      30.842     -32.509      -1.667   5.48 0.214 0.500 0.265 1.471     279.813     300.000       7.264    1 
-    280000       56000.00      28.273     -20.469       7.805   5.08 0.286 0.556 0.268 1.809     256.511     300.000       7.519    1 
-    290000       58000.00      32.354     -33.798      -1.445   4.95 0.357 0.545 0.198 2.070     293.528     300.000       7.525    1 
-    300000       60000.00      24.852     -25.376      -0.524   6.38 0.214 0.727 0.269 2.056     225.469     300.000       7.060    1 
-    310000       62000.00      28.310     -19.828       8.482   3.94 0.071 0.889 0.404 1.149     256.844     300.000       7.358    1 
-    320000       64000.00      25.609     -21.530       4.079   4.55 0.286 0.333 0.182 1.576     232.340     300.000       8.410    1 
-    330000       66000.00      26.934     -24.701       2.233   5.00 0.214 0.667 0.293 2.695     244.361     300.000       6.708    1 
-    340000       68000.00      29.597     -34.896      -5.299   5.76 0.214 0.727 0.298 1.667     268.516     300.000       6.873    1 
-    350000       70000.00      29.190     -27.399       1.790   5.73 0.214 0.667 0.318 1.483     264.823     300.000       7.260    1 
-    360000       72000.00      24.717     -26.348      -1.631   4.52 0.143 0.778 0.283 1.736     224.246     300.000       7.275    1 
-    370000       74000.00      35.970     -12.159      23.811   5.33 0.000 1.000 0.284 1.148     326.337     300.000       7.915    1 
-    380000       76000.00      34.994     -32.256       2.738   4.21 0.286 0.667 0.345 1.120     317.485     300.000       7.138    1 
-    390000       78000.00      27.970     -23.542       4.428   4.80 0.286 0.667 0.205 1.825     253.762     300.000       7.427    1 
-    400000       80000.00      27.674     -26.257       1.417   5.22 0.286 0.600 0.273 2.211     251.077     300.000       7.083    1 
-    410000       82000.00      26.257     -25.850       0.406   4.55 0.214 0.625 0.182 1.323     238.214     300.000       7.981    1 
-    420000       84000.00      30.695     -17.557      13.138   5.78 0.143 0.750 0.290 1.535     278.484     300.000       8.005    1 
-    430000       86000.00      37.011     -25.752      11.259   3.04 0.143 0.714 0.260 1.043     335.786     300.000       8.041    1 
-    440000       88000.00      33.602     -29.320       4.283   2.69 0.571 0.429 0.325 2.065     304.858     300.000       7.128    1 
-    450000       90000.00      23.998     -28.836      -4.838   3.40 0.214 0.500 0.326 1.391     217.722     300.000       7.493    1 
-    460000       92000.00      31.554     -18.530      13.024   4.49 0.286 0.636 0.331 0.923     286.277     300.000       7.116    1 
-    470000       94000.00      34.743     -33.025       1.718   4.26 0.286 0.667 0.330 1.348     315.204     300.000       6.990    1 
-    480000       96000.00      29.830     -22.355       7.475   5.54 0.214 0.727 0.285 1.348     270.635     300.000       7.894    1 
-    490000       98000.00      28.504     -25.585       2.919   5.48 0.214 0.500 0.167 2.608     258.601     300.000       8.526    1 
-    500000      100000.00      31.861     -31.662       0.199   5.03 0.143 0.750 0.250 1.492     289.059     300.000       7.443    1 
-    510000      102000.00      37.118     -18.701      18.418   5.30 0.143 0.714 0.227 1.515     336.758     300.000       7.484    1 
-    520000      104000.00      31.210     -28.483       2.726   5.39 0.071 0.857 0.227 1.128     283.149     300.000       7.933    1 
-    530000      106000.00      35.550     -27.929       7.621   4.92 0.286 0.667 0.322 1.376     322.526     300.000       7.033    1 
-    540000      108000.00      34.739     -20.461      14.278   6.34 0.286 0.636 0.215 1.910     315.168     300.000       8.162    1 
-    550000      110000.00      32.675     -26.009       6.666   7.88 0.071 0.667 0.182 1.052     296.441     300.000       9.640    1 
-    560000      112000.00      28.309     -29.373      -1.064   3.61 0.429 0.455 0.310 2.505     256.829     300.000       6.800    1 
-    570000      114000.00      35.645     -33.044       2.601   2.90 0.429 0.538 0.213 2.963     323.392     300.000       6.858    1 
-    580000      116000.00      30.635     -31.215      -0.581   4.17 0.286 0.750 0.395 0.734     277.935     300.000       6.462    1 
-    590000      118000.00      24.406     -26.711      -2.304   6.85 0.214 0.625 0.222 2.218     221.425     300.000       8.458    1 
-    600000      120000.00      31.049     -42.178     -11.129   3.64 0.214 0.727 0.310 0.856     281.696     300.000       7.219    1 
-    610000      122000.00      30.200     -40.144      -9.945   5.09 0.143 0.800 0.205 1.153     273.986     300.000       7.343    1 
-    620000      124000.00      24.586     -29.459      -4.873   4.06 0.143 0.778 0.293 2.101     223.055     300.000       7.001    1 
-    630000      126000.00      24.625     -24.021       0.604   4.72 0.357 0.375 0.199 1.040     223.411     300.000       7.558    1 
-    640000      128000.00      27.363     -24.321       3.043   5.89 0.214 0.786 0.357 1.657     248.255     300.000       7.033    1 
-    650000      130000.00      30.118     -36.273      -6.155   5.07 0.214 0.750 0.379 1.480     273.249     300.000       6.881    1 
-    660000      132000.00      34.761     -42.506      -7.745   4.87 0.357 0.615 0.301 1.132     315.369     300.000       6.726    1 
-    670000      134000.00      37.111     -36.239       0.872   4.79 0.214 0.625 0.341 0.871     336.687     300.000       7.509    1 
-    680000      136000.00      33.810     -27.384       6.427   4.17 0.357 0.444 0.177 1.146     306.746     300.000       7.917    1 
-    690000      138000.00      28.960     -31.932      -2.972   4.88 0.214 0.667 0.177 2.523     262.743     300.000       7.351    1 
-    700000      140000.00      35.162     -17.011      18.151   4.33 0.214 0.727 0.376 2.145     319.012     300.000       7.254    1 
-    710000      142000.00      23.247     -36.658     -13.411   2.08 0.286 0.500 0.409 1.152     210.912     300.000       6.578    1 
-    720000      144000.00      33.628     -32.022       1.606   3.05 0.500 0.300 0.355 2.996     305.088     300.000       7.402    1 
-    730000      146000.00      33.518     -30.660       2.858   4.76 0.286 0.600 0.186 2.086     304.095     300.000       8.171    1 
-    740000      148000.00      28.120     -24.494       3.626   4.27 0.143 0.750 0.324 2.396     255.121     300.000       7.390    1 
-    750000      150000.00      28.457     -36.934      -8.477   4.61 0.214 0.667 0.379 1.457     258.173     300.000       7.237    1 
-    760000      152000.00      33.586     -34.160      -0.574   4.01 0.214 0.667 0.247 1.958     304.710     300.000       7.191    1 
-    770000      154000.00      27.095     -23.819       3.276   3.43 0.143 0.714 0.364 1.392     245.817     300.000       7.665    1 
-    780000      156000.00      33.998     -27.361       6.637   2.99 0.357 0.615 0.276 1.453     308.444     300.000       7.082    1 
-    790000      158000.00      23.968     -35.499     -11.531   3.51 0.143 0.750 0.369 1.586     217.454     300.000       7.867    1 
-    800000      160000.00      40.496     -32.476       8.021   5.95 0.214 0.700 0.245 1.681     367.405     300.000       7.283    1 
-    810000      162000.00      26.144     -26.888      -0.744   3.38 0.286 0.733 0.309 1.980     237.195     300.000       7.184    1 
-    820000      164000.00      30.899     -42.552     -11.653   5.80 0.214 0.800 0.282 2.264     280.336     300.000       6.970    1 
-    830000      166000.00      32.924     -31.500       1.424   3.45 0.357 0.583 0.311 0.874     298.704     300.000       6.718    1 
-    840000      168000.00      24.171     -13.217      10.954   6.54 0.214 0.400 0.173 1.284     219.289     300.000       8.842    1 
-    850000      170000.00      32.561     -30.141       2.420   3.43 0.286 0.714 0.364 0.731     295.409     300.000       6.671    1 
-    860000      172000.00      29.522     -38.007      -8.485   2.26 0.286 0.556 0.258 0.834     267.843     300.000       6.862    1 
-    870000      174000.00      20.856     -39.681     -18.825   4.19 0.429 0.400 0.373 1.323     189.219     300.000       7.198    1 
-    880000      176000.00      34.118     -19.424      14.693   4.29 0.000 1.000 0.364 1.876     309.533     300.000       7.487    1 
-    890000      178000.00      30.175     -36.940      -6.764   5.04 0.214 0.700 0.418 1.002     273.766     300.000       7.232    1 
-    900000      180000.00      23.897     -21.367       2.530   4.37 0.071 0.889 0.313 1.843     216.809     300.000       7.262    1 
-    910000      182000.00      32.982     -26.641       6.341   3.75 0.214 0.625 0.341 1.938     299.227     300.000       7.217    1 
-    920000      184000.00      33.454     -39.281      -5.827   4.24 0.286 0.692 0.381 1.836     303.509     300.000       6.698    1 
-    930000      186000.00      28.369     -21.935       6.434   3.98 0.214 0.700 0.409 1.683     257.377     300.000       6.827    1 
-    940000      188000.00      33.059     -40.628      -7.569   3.88 0.214 0.812 0.341 0.742     299.926     300.000       6.507    1 
-    950000      190000.00      24.415     -44.624     -20.209   4.80 0.214 0.700 0.273 1.159     221.506     300.000       7.757    1 
-    960000      192000.00      24.947     -41.689     -16.742   4.14 0.214 0.750 0.413 1.201     226.333     300.000       7.293    1 
-    970000      194000.00      23.105     -32.050      -8.946   5.57 0.214 0.667 0.303 1.072     209.617     300.000       7.257    1 
-    980000      196000.00      28.831     -30.490      -1.660   3.78 0.286 0.556 0.242 1.513     261.567     300.000       7.388    1 
-    990000      198000.00      33.985     -30.638       3.347   3.55 0.286 0.556 0.202 1.951     308.330     300.000       6.541    1 
-   1000000      200000.00      26.306     -25.196       1.110   4.17 0.214 0.700 0.327 1.472     238.663     300.000       7.174    1 
+     10000        2000.00      24.370     -34.859     -10.488   3.84 0.357 0.615 0.427 1.617     221.101     300.000       6.330    1 
+     20000        4000.00      30.851     -23.614       7.237   5.42 0.143 0.714 0.195 1.125     279.894     300.000       8.224    1 
+     30000        6000.00      26.727     -27.795      -1.068   5.88 0.286 0.636 0.194 1.337     242.480     300.000       7.316    1 
+     40000        8000.00      22.373     -45.252     -22.879   4.11 0.214 0.857 0.366 1.678     202.981     300.000       6.698    1 
+     50000       10000.00      30.689     -32.197      -1.508   3.99 0.143 0.833 0.348 1.487     278.424     300.000       7.051    1 
+     60000       12000.00      26.355     -21.403       4.952   3.74 0.214 0.571 0.240 2.280     239.103     300.000       7.993    1 
+     70000       14000.00      28.853     -29.279      -0.426   3.38 0.357 0.583 0.455 1.139     261.768     300.000       6.793    1 
+     80000       16000.00      24.589     -24.746      -0.157   3.69 0.214 0.700 0.227 0.702     223.082     300.000       7.385    1 
+     90000       18000.00      23.085     -34.867     -11.781   3.92 0.286 0.600 0.291 1.611     209.442     300.000       7.116    1 
+    100000       20000.00      29.671     -35.195      -5.523   4.85 0.214 0.625 0.369 1.514     269.193     300.000       7.450    1 
+    110000       22000.00      28.190     -20.692       7.498   7.10 0.000 1.000 0.191 2.027     255.752     300.000       8.757    1 
+    120000       24000.00      32.692     -31.130       1.562   4.78 0.357 0.583 0.330 1.518     296.599     300.000       7.039    1 
+    130000       26000.00      29.728     -26.339       3.389   4.74 0.143 0.750 0.244 1.321     269.709     300.000       7.964    1 
+    140000       28000.00      29.698     -30.757      -1.060   2.47 0.357 0.286 0.344 2.041     269.432     300.000       7.003    1 
+    150000       30000.00      34.354     -32.177       2.178   4.45 0.429 0.684 0.435 1.330     311.681     300.000       6.365    1 
+    160000       32000.00      23.322     -39.017     -15.695   3.60 0.357 0.444 0.328 1.192     211.590     300.000       7.416    1 
+    170000       34000.00      32.157     -37.052      -4.894   4.96 0.214 0.625 0.312 1.110     291.748     300.000       7.304    1 
+    180000       36000.00      25.397     -23.284       2.113   5.18 0.000 1.000 0.303 1.746     230.419     300.000       7.829    1 
+    190000       38000.00      37.907     -32.813       5.095   5.83 0.357 0.688 0.332 2.329     343.914     300.000       6.591    1 
+    200000       40000.00      25.025     -21.547       3.479   4.14 0.357 0.444 0.177 1.201     227.042     300.000       8.387    1 
+    210000       42000.00      36.686     -17.557      19.129   4.94 0.214 0.667 0.212 1.916     332.832     300.000       7.678    1 
+    220000       44000.00      25.400     -41.025     -15.624   2.75 0.429 0.500 0.242 1.179     230.444     300.000       6.620    1 
+    230000       46000.00      31.398     -16.719      14.679   1.84 0.571 0.273 0.269 2.158     284.855     300.000       7.039    1 
+    240000       48000.00      32.460     -10.171      22.289   7.26 0.214 0.400 0.155 3.030     294.493     300.000      10.082    1 
+    250000       50000.00      27.311     -50.230     -22.919   4.07 0.286 0.778 0.354 1.214     247.779     300.000       6.819    1 
+    260000       52000.00      33.295     -33.891      -0.596   3.39 0.357 0.583 0.261 1.803     302.068     300.000       7.058    1 
+    270000       54000.00      25.718      -9.715      16.003   5.08 0.071 0.800 0.200 1.873     233.328     300.000       8.492    1 
+    280000       56000.00      25.645     -23.458       2.187   4.58 0.286 0.429 0.273 1.554     232.667     300.000       7.677    1 
+    290000       58000.00      32.879     -25.812       7.067   5.23 0.286 0.600 0.205 3.378     298.297     300.000       7.636    1 
+    300000       60000.00      22.625     -30.290      -7.665   4.20 0.357 0.615 0.220 1.908     205.267     300.000       6.773    1 
+    310000       62000.00      31.818     -27.386       4.432   5.44 0.071 0.875 0.256 1.831     288.670     300.000       8.465    1 
+    320000       64000.00      24.812     -25.389      -0.577   4.59 0.286 0.556 0.192 0.824     225.111     300.000       8.467    1 
+    330000       66000.00      30.164     -40.023      -9.858   5.06 0.214 0.727 0.306 1.132     273.667     300.000       6.684    1 
+    340000       68000.00      30.728     -41.573     -10.846   2.25 0.429 0.538 0.290 2.233     278.777     300.000       6.854    1 
+    350000       70000.00      27.057     -20.541       6.516   2.75 0.286 0.667 0.420 0.812     245.473     300.000       6.976    1 
+    360000       72000.00      29.751     -24.359       5.392   2.91 0.286 0.667 0.367 1.732     269.915     300.000       7.207    1 
+    370000       74000.00      37.711     -21.403      16.309   4.63 0.071 0.909 0.351 1.781     342.138     300.000       8.013    1 
+    380000       76000.00      30.910     -35.156      -4.246   4.25 0.286 0.600 0.255 1.064     280.432     300.000       7.518    1 
+    390000       78000.00      29.736     -30.542      -0.806   4.28 0.143 0.750 0.284 1.569     269.776     300.000       7.386    1 
+    400000       80000.00      28.633     -28.754      -0.122   5.43 0.214 0.700 0.286 1.376     259.771     300.000       6.809    1 
+    410000       82000.00      26.732     -32.383      -5.651   5.10 0.143 0.714 0.260 1.026     242.523     300.000       7.474    1 
+    420000       84000.00      28.799     -30.868      -2.069   3.48 0.214 0.667 0.394 1.657     261.281     300.000       7.644    1 
+    430000       86000.00      36.235     -24.374      11.861   4.91 0.071 0.857 0.312 1.522     328.740     300.000       7.506    1 
+    440000       88000.00      30.724     -26.151       4.573   3.74 0.214 0.571 0.279 1.776     278.747     300.000       7.615    1 
+    450000       90000.00      22.398     -35.733     -13.335   4.65 0.214 0.727 0.223 0.624     203.207     300.000       7.760    1 
+    460000       92000.00      35.509     -34.157       1.352   3.82 0.357 0.688 0.281 1.923     322.156     300.000       6.573    1 
+    470000       94000.00      32.388     -31.411       0.977   4.72 0.429 0.647 0.380 3.174     293.841     300.000       6.852    1 
+    480000       96000.00      29.749     -22.030       7.718   6.65 0.214 0.571 0.175 1.519     269.896     300.000       9.824    1 
+    490000       98000.00      27.154     -29.955      -2.800   3.56 0.357 0.375 0.188 1.927     246.358     300.000       8.233    1 
+    500000      100000.00      30.494     -36.760      -6.266   3.60 0.214 0.700 0.323 2.136     276.655     300.000       6.877    1 
+    510000      102000.00      34.033     -35.823      -1.790   3.99 0.357 0.667 0.336 1.327     308.764     300.000       6.530    1 
+    520000      104000.00      25.243     -29.752      -4.509   2.79 0.571 0.529 0.275 1.041     229.017     300.000       6.918    1 
+    530000      106000.00      30.004     -31.996      -1.992   2.38 0.357 0.444 0.298 1.765     272.208     300.000       6.773    1 
+    540000      108000.00      32.072     -33.279      -1.206   4.46 0.143 0.750 0.392 2.137     290.976     300.000       7.233    1 
+    550000      110000.00      32.110     -33.153      -1.043   5.58 0.143 0.818 0.298 1.677     291.320     300.000       7.281    1 
+    560000      112000.00      30.811     -32.379      -1.568   4.16 0.143 0.833 0.235 1.163     279.532     300.000       7.218    1 
+    570000      114000.00      38.005     -34.815       3.190   4.06 0.286 0.556 0.308 1.843     344.800     300.000       7.505    1 
+    580000      116000.00      26.699     -41.508     -14.809   4.46 0.214 0.750 0.314 1.230     242.230     300.000       6.733    1 
+    590000      118000.00      29.328     -29.633      -0.305   3.63 0.143 0.800 0.336 1.757     266.082     300.000       7.267    1 
+    600000      120000.00      30.282     -31.478      -1.197   4.37 0.286 0.600 0.273 1.371     274.731     300.000       7.212    1 
+    610000      122000.00      26.698     -29.628      -2.931   5.32 0.286 0.600 0.286 1.335     242.215     300.000       7.431    1 
+    620000      124000.00      28.686     -22.768       5.918   6.98 0.071 0.750 0.136 2.173     260.256     300.000       9.400    1 
+    630000      126000.00      25.141     -35.500     -10.360   4.28 0.143 0.750 0.426 0.766     228.088     300.000       7.167    1 
+    640000      128000.00      26.344     -19.014       7.330   6.04 0.214 0.727 0.368 2.351     239.005     300.000       6.824    1 
+    650000      130000.00      29.580     -28.131       1.450   4.93 0.286 0.556 0.288 1.799     268.368     300.000       7.522    1 
+    660000      132000.00      31.938     -23.871       8.067   6.85 0.286 0.500 0.182 1.771     289.756     300.000       8.426    1 
+    670000      134000.00      34.080     -25.648       8.431   5.39 0.286 0.692 0.276 1.543     309.189     300.000       6.726    1 
+    680000      136000.00      28.837     -25.874       2.963   4.40 0.214 0.750 0.330 1.099     261.623     300.000       7.490    1 
+    690000      138000.00      30.808     -33.387      -2.579   5.08 0.214 0.700 0.218 2.037     279.509     300.000       8.101    1 
+    700000      140000.00      32.655     -22.051      10.604   4.52 0.214 0.625 0.318 2.684     296.263     300.000       7.240    1 
+    710000      142000.00      24.153     -24.116       0.037   4.97 0.286 0.500 0.176 1.579     219.124     300.000       8.467    1 
+    720000      144000.00      31.912     -13.268      18.644   6.84 0.071 0.875 0.250 1.359     289.523     300.000       8.401    1 
+    730000      146000.00      33.340     -33.098       0.241   5.37 0.286 0.733 0.342 1.496     302.474     300.000       7.141    1 
+    740000      148000.00      30.999     -24.780       6.219   6.58 0.214 0.571 0.227 1.898     281.235     300.000       9.933    1 
+    750000      150000.00      25.027     -32.729      -7.702   4.14 0.214 0.571 0.305 1.383     227.060     300.000       7.543    1 
+    760000      152000.00      34.477     -41.778      -7.301   4.73 0.357 0.706 0.329 1.329     312.794     300.000       6.780    1 
+    770000      154000.00      30.833     -20.768      10.065   6.40 0.214 0.500 0.189 2.866     279.737     300.000       9.065    1 
+    780000      156000.00      33.779     -30.521       3.258   3.37 0.143 0.800 0.309 2.040     306.459     300.000       7.206    1 
+    790000      158000.00      23.689     -29.122      -5.433   3.49 0.429 0.667 0.336 1.584     214.918     300.000       6.797    1 
+    800000      160000.00      42.252     -27.341      14.911   3.08 0.071 0.750 0.273 0.961     383.329     300.000       7.231    1 
+    810000      162000.00      31.247     -26.939       4.308   3.03 0.214 0.750 0.379 3.024     283.492     300.000       6.682    1 
+    820000      164000.00      29.018     -21.541       7.477   2.65 0.357 0.545 0.252 2.580     263.263     300.000       7.372    1 
+    830000      166000.00      27.132     -32.945      -5.812   3.83 0.357 0.643 0.308 1.431     246.160     300.000       6.523    1 
+    840000      168000.00      25.735     -23.833       1.902   4.60 0.143 0.800 0.286 2.649     233.480     300.000       7.039    1 
+    850000      170000.00      29.130     -36.577      -7.448   4.95 0.286 0.714 0.354 2.202     264.278     300.000       7.047    1 
+    860000      172000.00      25.213     -45.318     -20.105   2.22 0.500 0.462 0.231 1.332     228.749     300.000       7.344    1 
+    870000      174000.00      21.405     -40.351     -18.946   2.73 0.500 0.533 0.270 1.174     194.193     300.000       6.383    1 
+    880000      176000.00      35.090     -39.187      -4.098   4.77 0.143 0.750 0.324 1.565     318.351     300.000       6.810    1 
+    890000      178000.00      30.635     -30.599       0.036   2.65 0.286 0.714 0.318 1.348     277.938     300.000       6.883    1 
+    900000      180000.00      25.501     -45.686     -20.185   4.29 0.214 0.750 0.364 3.032     231.358     300.000       6.650    1 
+    910000      182000.00      31.967     -23.254       8.713   5.18 0.071 0.500 0.136 1.385     290.026     300.000       8.327    1 
+    920000      184000.00      36.013     -32.392       3.620   5.78 0.143 0.750 0.284 1.092     326.725     300.000       7.005    1 
+    930000      186000.00      28.886     -23.606       5.280   5.20 0.214 0.571 0.266 1.191     262.070     300.000       7.124    1 
+    940000      188000.00      31.991     -24.994       6.997   4.24 0.214 0.250 0.205 2.353     290.238     300.000       7.651    1 
+    950000      190000.00      22.911     -20.307       2.604   4.43 0.071 0.875 0.295 1.584     207.857     300.000       7.545    1 
+    960000      192000.00      26.403     -30.793      -4.390   5.00 0.143 0.600 0.318 1.163     239.543     300.000       7.432    1 
+    970000      194000.00      25.840     -43.369     -17.530   4.50 0.143 0.818 0.380 1.677     234.432     300.000       7.556    1 
+    980000      196000.00      30.634     -22.890       7.744   3.08 0.286 0.429 0.331 1.450     277.929     300.000       7.615    1 
+    990000      198000.00      35.914     -22.010      13.903   2.61 0.429 0.400 0.355 2.524     325.827     300.000       7.101    1 
+   1000000      200000.00      24.835     -35.538     -10.703   3.13 0.500 0.533 0.279 1.903     225.318     300.000       6.492    1 
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB002.stat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB002.stat
index 4f5e77d..25fdcaa 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB002.stat
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB002.stat
@@ -1,101 +1,101 @@
          0           0.00      33.415     662.810     696.224   0.00 1.000 0.000 0.308 8.660     303.155     300.000       7.001    2 
-     10000        2000.00      27.266     -31.635      -4.369   2.76 0.286 0.765 0.382 1.027     247.375     300.000       6.861    2 
-     20000        4000.00      34.741     -24.920       9.822   3.03 0.286 0.500 0.273 2.006     315.193     300.000       7.468    2 
-     30000        6000.00      31.685     -31.667       0.018   4.81 0.214 0.667 0.323 1.164     287.460     300.000       7.265    2 
-     40000        8000.00      30.071     -27.063       3.008   6.13 0.214 0.667 0.182 1.934     272.819     300.000       8.272    2 
-     50000       10000.00      26.704     -22.558       4.146   3.92 0.143 0.778 0.359 2.839     242.273     300.000       7.137    2 
-     60000       12000.00      32.748     -23.564       9.185   7.21 0.071 0.833 0.220 1.960     297.108     300.000       8.221    2 
-     70000       14000.00      19.162     -29.123      -9.961   4.66 0.357 0.500 0.245 1.512     173.848     300.000       7.453    2 
-     80000       16000.00      35.310     -26.247       9.063   4.12 0.214 0.700 0.309 1.496     320.351     300.000       7.243    2 
-     90000       18000.00      23.444     -32.971      -9.527   5.00 0.286 0.714 0.305 3.100     212.697     300.000       6.853    2 
-    100000       20000.00      28.741     -43.647     -14.906   6.63 0.286 0.692 0.255 1.547     260.750     300.000       7.094    2 
-    110000       22000.00      28.924     -18.865      10.059   4.61 0.143 0.333 0.348 1.821     262.410     300.000       8.048    2 
-    120000       24000.00      30.635     -27.091       3.544   3.76 0.286 0.636 0.322 2.111     277.934     300.000       7.211    2 
-    130000       26000.00      31.320     -26.171       5.149   5.10 0.214 0.786 0.403 1.122     284.153     300.000       6.674    2 
-    140000       28000.00      29.577     -34.641      -5.064   4.44 0.286 0.636 0.306 1.887     268.336     300.000       7.149    2 
-    150000       30000.00      27.485     -28.889      -1.404   5.76 0.143 0.833 0.303 3.014     249.358     300.000       7.101    2 
-    160000       32000.00      29.895     -23.281       6.614   7.47 0.143 0.500 0.193 1.888     271.219     300.000       9.683    2 
-    170000       34000.00      28.210     -28.118       0.092   5.46 0.214 0.727 0.264 1.111     255.937     300.000       7.519    2 
-    180000       36000.00      27.570     -28.083      -0.513   5.48 0.286 0.778 0.359 2.164     250.125     300.000       6.766    2 
-    190000       38000.00      25.194     -32.271      -7.077   4.62 0.071 0.900 0.386 0.958     228.570     300.000       6.909    2 
-    200000       40000.00      30.988     -37.392      -6.404   4.24 0.143 0.833 0.375 1.547     281.143     300.000       6.830    2 
-    210000       42000.00      40.124     -36.078       4.045   4.12 0.214 0.700 0.295 1.510     364.021     300.000       7.502    2 
-    220000       44000.00      36.034     -28.480       7.554   3.62 0.214 0.625 0.364 1.863     326.918     300.000       7.586    2 
-    230000       46000.00      24.191     -26.207      -2.015   4.52 0.143 0.800 0.332 2.285     219.478     300.000       8.141    2 
-    240000       48000.00      27.969     -24.057       3.912   5.91 0.143 0.750 0.278 1.350     253.749     300.000       7.716    2 
-    250000       50000.00      23.965     -23.150       0.815   3.53 0.286 0.429 0.182 1.475     217.425     300.000       8.141    2 
-    260000       52000.00      29.636     -21.953       7.683   2.36 0.357 0.375 0.256 1.579     268.872     300.000       7.902    2 
-    270000       54000.00      28.777     -29.425      -0.648   6.82 0.286 0.500 0.165 1.872     261.076     300.000       9.142    2 
-    280000       56000.00      25.510     -39.540     -14.029   4.00 0.143 0.818 0.351 1.636     231.442     300.000       6.734    2 
-    290000       58000.00      31.963     -42.291     -10.328   3.08 0.357 0.615 0.329 1.085     289.983     300.000       6.636    2 
-    300000       60000.00      23.857     -32.147      -8.290   3.42 0.214 0.625 0.426 2.345     216.443     300.000       6.706    2 
-    310000       62000.00      33.876     -32.194       1.682   3.60 0.143 0.846 0.350 1.199     307.340     300.000       6.759    2 
-    320000       64000.00      27.995     -38.348     -10.353   4.73 0.286 0.556 0.394 1.482     253.989     300.000       7.262    2 
-    330000       66000.00      21.234     -39.283     -18.049   6.40 0.286 0.714 0.282 2.126     192.648     300.000       7.056    2 
-    340000       68000.00      28.972     -21.357       7.616   4.22 0.214 0.667 0.217 2.564     262.851     300.000       7.302    2 
-    350000       70000.00      27.097     -36.561      -9.464   2.35 0.571 0.333 0.269 1.838     245.834     300.000       7.014    2 
-    360000       72000.00      30.113     -34.028      -3.915   3.39 0.143 0.833 0.352 2.379     273.202     300.000       7.121    2 
-    370000       74000.00      32.199     -28.213       3.987   4.17 0.143 0.333 0.364 2.191     292.130     300.000       8.133    2 
-    380000       76000.00      30.849     -30.567       0.282   2.81 0.214 0.727 0.318 1.999     279.875     300.000       6.663    2 
-    390000       78000.00      34.207     -32.373       1.834   3.48 0.357 0.500 0.282 0.980     310.347     300.000       6.653    2 
-    400000       80000.00      31.019     -33.667      -2.648   5.19 0.071 0.750 0.182 1.185     281.422     300.000       9.220    2 
-    410000       82000.00      34.237     -33.251       0.986   7.22 0.143 0.667 0.197 1.149     310.620     300.000       8.264    2 
-    420000       84000.00      37.418     -31.647       5.772   4.79 0.214 0.400 0.145 1.244     339.480     300.000       8.084    2 
-    430000       86000.00      35.502     -24.016      11.487   4.64 0.357 0.615 0.346 1.345     322.097     300.000       6.978    2 
-    440000       88000.00      28.052     -14.653      13.398   4.68 0.071 0.667 0.152 2.714     254.498     300.000       8.884    2 
-    450000       90000.00      37.137     -28.749       8.388   4.43 0.214 0.727 0.364 1.558     336.927     300.000       6.952    2 
-    460000       92000.00      34.528     -31.200       3.328   4.92 0.143 0.714 0.325 1.976     313.257     300.000       8.057    2 
-    470000       94000.00      33.259     -26.053       7.207   4.30 0.214 0.727 0.421 1.368     301.745     300.000       8.070    2 
-    480000       96000.00      24.737     -32.595      -7.858   3.84 0.214 0.667 0.354 0.846     224.429     300.000       7.522    2 
-    490000       98000.00      33.774     -23.582      10.192   4.45 0.214 0.625 0.278 1.203     306.413     300.000       7.471    2 
-    500000      100000.00      36.109     -31.776       4.334   4.80 0.214 0.786 0.302 2.473     327.600     300.000       6.997    2 
-    510000      102000.00      30.263     -30.430      -0.166   4.93 0.286 0.667 0.299 2.038     274.564     300.000       7.077    2 
-    520000      104000.00      29.225     -29.524      -0.299   4.29 0.071 0.875 0.358 1.307     265.148     300.000       7.493    2 
-    530000      106000.00      30.210     -17.042      13.168   6.34 0.071 0.750 0.170 1.140     274.078     300.000      10.698    2 
-    540000      108000.00      23.195     -12.998      10.197   7.42 0.214 0.500 0.159 1.870     210.437     300.000      10.289    2 
-    550000      110000.00      27.664     -14.397      13.267   8.78 0.214 0.250 0.159 2.808     250.979     300.000      11.886    2 
-    560000      112000.00      27.302     -21.543       5.758   4.37 0.071 0.800 0.236 1.612     247.694     300.000       8.214    2 
-    570000      114000.00      32.671     -25.977       6.694   6.02 0.357 0.643 0.334 2.141     296.404     300.000       6.902    2 
-    580000      116000.00      29.846     -33.196      -3.350   4.95 0.429 0.571 0.357 1.581     270.776     300.000       7.040    2 
-    590000      118000.00      32.990     -22.316      10.673   5.10 0.143 0.500 0.205 1.521     299.300     300.000       7.628    2 
-    600000      120000.00      30.872     -17.766      13.105   4.48 0.214 0.500 0.174 0.812     280.084     300.000       8.722    2 
-    610000      122000.00      29.318     -26.991       2.327   4.96 0.143 0.750 0.330 2.447     265.989     300.000       6.839    2 
-    620000      124000.00      22.715     -24.981      -2.266   4.45 0.214 0.625 0.188 1.318     206.080     300.000       8.095    2 
-    630000      126000.00      30.076     -35.441      -5.366   4.50 0.286 0.556 0.328 1.556     272.861     300.000       7.522    2 
-    640000      128000.00      29.141     -19.734       9.407   5.17 0.214 0.786 0.279 1.693     264.379     300.000       6.988    2 
-    650000      130000.00      28.773     -25.939       2.834   4.28 0.214 0.750 0.405 1.340     261.046     300.000       6.942    2 
-    660000      132000.00      37.654     -35.633       2.021   3.89 0.429 0.143 0.247 1.705     341.619     300.000       7.856    2 
-    670000      134000.00      28.205     -27.646       0.559   5.34 0.429 0.625 0.290 3.156     255.889     300.000       6.859    2 
-    680000      136000.00      29.907     -25.155       4.752   5.17 0.429 0.667 0.374 1.773     271.334     300.000       6.671    2 
-    690000      138000.00      28.129     -26.760       1.369   3.25 0.286 0.500 0.205 1.630     255.201     300.000       7.624    2 
-    700000      140000.00      27.541     -30.814      -3.274   6.87 0.214 0.727 0.202 1.700     249.865     300.000       7.447    2 
-    710000      142000.00      32.091     -32.237      -0.147   5.07 0.286 0.556 0.278 0.221     291.142     300.000       7.276    2 
-    720000      144000.00      20.198     -30.717     -10.519   5.39 0.214 0.625 0.267 1.422     183.247     300.000       7.189    2 
-    730000      146000.00      29.870     -31.946      -2.075   4.82 0.143 0.833 0.303 1.556     270.999     300.000       7.089    2 
-    740000      148000.00      23.887     -22.510       1.377   4.85 0.214 0.667 0.278 0.905     216.719     300.000       7.431    2 
-    750000      150000.00      27.782     -36.818      -9.036   3.33 0.143 0.714 0.253 1.888     252.057     300.000       7.163    2 
-    760000      152000.00      25.051     -20.671       4.381   5.52 0.143 0.500 0.227 1.464     227.279     300.000       7.465    2 
-    770000      154000.00      25.113     -39.500     -14.387   6.54 0.214 0.700 0.245 0.997     227.843     300.000       7.275    2 
-    780000      156000.00      28.916     -30.673      -1.757   6.65 0.071 0.800 0.173 0.951     262.342     300.000       9.596    2 
-    790000      158000.00      28.147     -22.628       5.519   5.69 0.214 0.667 0.323 0.949     255.364     300.000       6.925    2 
-    800000      160000.00      25.784     -15.593      10.191   4.00 0.214 0.500 0.235 2.193     233.927     300.000       8.259    2 
-    810000      162000.00      31.140     -23.865       7.276   6.47 0.214 0.500 0.167 1.996     282.520     300.000       9.667    2 
-    820000      164000.00      33.929     -42.969      -9.040   4.11 0.286 0.556 0.283 1.925     307.823     300.000       6.811    2 
-    830000      166000.00      27.256     -33.615      -6.360   4.33 0.071 0.875 0.295 2.232     247.278     300.000       7.233    2 
-    840000      168000.00      33.267     -34.064      -0.797   5.61 0.214 0.833 0.343 1.094     301.812     300.000       6.445    2 
-    850000      170000.00      28.303     -27.690       0.613   5.55 0.143 0.800 0.300 1.551     256.775     300.000       6.989    2 
-    860000      172000.00      27.062     -26.546       0.516   4.36 0.286 0.714 0.383 1.958     245.518     300.000       7.285    2 
-    870000      174000.00      24.992     -39.788     -14.796   4.55 0.286 0.765 0.385 1.232     226.737     300.000       6.874    2 
-    880000      176000.00      29.855     -24.135       5.720   3.34 0.214 0.571 0.156 1.865     270.858     300.000       7.332    2 
-    890000      178000.00      26.523     -22.867       3.657   4.29 0.214 0.571 0.188 1.732     240.633     300.000       8.323    2 
-    900000      180000.00      28.784     -31.977      -3.193   6.72 0.286 0.500 0.205 1.896     261.147     300.000      10.417    2 
-    910000      182000.00      39.304     -40.839      -1.535   4.92 0.214 0.769 0.350 1.071     356.584     300.000       6.778    2 
-    920000      184000.00      29.273     -30.497      -1.224   4.80 0.214 0.700 0.309 1.402     265.577     300.000       7.259    2 
-    930000      186000.00      28.872     -30.470      -1.598   3.57 0.286 0.692 0.248 1.222     261.942     300.000       6.608    2 
-    940000      188000.00      34.811     -27.430       7.381   3.68 0.214 0.700 0.318 2.267     315.822     300.000       6.963    2 
-    950000      190000.00      26.190     -34.663      -8.473   5.08 0.357 0.444 0.197 1.354     237.609     300.000       7.734    2 
-    960000      192000.00      26.432     -36.126      -9.694   2.74 0.286 0.429 0.331 2.282     239.803     300.000       7.001    2 
-    970000      194000.00      27.917     -32.543      -4.627   3.90 0.143 0.500 0.432 1.207     253.276     300.000       7.043    2 
-    980000      196000.00      33.410     -24.985       8.425   3.96 0.214 0.625 0.364 2.313     303.112     300.000       7.769    2 
-    990000      198000.00      27.201     -34.706      -7.504   5.02 0.286 0.692 0.325 1.548     246.786     300.000       6.718    2 
-   1000000      200000.00      37.863     -37.014       0.849   4.07 0.143 0.846 0.385 1.863     343.515     300.000       6.794    2 
+     10000        2000.00      26.773     -22.975       3.798   3.87 0.214 0.750 0.371 1.466     242.899     300.000       7.548    2 
+     20000        4000.00      37.784     -16.276      21.508   5.26 0.071 0.750 0.330 2.660     342.792     300.000       9.110    2 
+     30000        6000.00      29.275     -14.341      14.934   6.79 0.143 0.667 0.212 1.720     265.600     300.000       8.289    2 
+     40000        8000.00      28.469     -37.719      -9.250   2.96 0.429 0.684 0.297 2.949     258.288     300.000       6.328    2 
+     50000       10000.00      26.878     -19.717       7.161   3.45 0.357 0.545 0.360 1.962     243.848     300.000       7.114    2 
+     60000       12000.00      32.306     -31.221       1.084   4.23 0.214 0.786 0.412 1.960     293.093     300.000       7.424    2 
+     70000       14000.00      25.080     -38.331     -13.250   3.72 0.214 0.700 0.373 1.071     227.542     300.000       6.486    2 
+     80000       16000.00      34.850     -24.082      10.769   2.86 0.429 0.143 0.156 1.587     316.180     300.000       7.335    2 
+     90000       18000.00      28.127     -34.417      -6.291   3.79 0.214 0.667 0.258 1.675     255.180     300.000       6.753    2 
+    100000       20000.00      24.511     -31.991      -7.479   3.53 0.286 0.733 0.400 1.526     222.380     300.000       6.639    2 
+    110000       22000.00      31.889     -36.515      -4.626   4.17 0.214 0.750 0.443 1.189     289.317     300.000       6.807    2 
+    120000       24000.00      34.432     -26.383       8.050   3.53 0.214 0.625 0.182 1.574     312.389     300.000       7.095    2 
+    130000       26000.00      32.318     -41.626      -9.307   3.95 0.357 0.706 0.342 1.023     293.210     300.000       6.606    2 
+    140000       28000.00      31.502     -34.719      -3.217   4.74 0.286 0.692 0.276 1.018     285.802     300.000       6.732    2 
+    150000       30000.00      28.492     -34.303      -5.811   4.00 0.286 0.556 0.318 0.918     258.494     300.000       7.268    2 
+    160000       32000.00      33.537     -31.184       2.353   3.67 0.214 0.625 0.284 1.520     304.261     300.000       8.045    2 
+    170000       34000.00      24.376     -28.114      -3.739   2.50 0.214 0.667 0.333 1.410     221.148     300.000       6.950    2 
+    180000       36000.00      27.245     -25.090       2.155   2.07 0.286 0.500 0.261 1.145     247.181     300.000       6.814    2 
+    190000       38000.00      24.894     -32.290      -7.396   3.18 0.286 0.600 0.318 1.080     225.852     300.000       7.170    2 
+    200000       40000.00      32.420     -38.535      -6.115   4.02 0.143 0.833 0.314 2.086     294.130     300.000       7.136    2 
+    210000       42000.00      37.946     -30.977       6.969   3.74 0.214 0.700 0.259 2.541     344.262     300.000       7.529    2 
+    220000       44000.00      31.972     -23.165       8.807   3.98 0.143 0.778 0.182 1.428     290.062     300.000       7.616    2 
+    230000       46000.00      23.466     -24.944      -1.478   7.04 0.214 0.400 0.164 1.328     212.896     300.000      10.392    2 
+    240000       48000.00      25.349     -23.295       2.053   5.87 0.357 0.286 0.175 1.366     229.975     300.000       9.315    2 
+    250000       50000.00      26.794     -31.181      -4.387   5.80 0.000 1.000 0.247 1.780     243.090     300.000       7.579    2 
+    260000       52000.00      28.407     -33.724      -5.317   6.39 0.286 0.733 0.358 1.468     257.721     300.000       6.706    2 
+    270000       54000.00      31.017     -28.444       2.573   3.77 0.286 0.667 0.280 1.885     281.402     300.000       7.236    2 
+    280000       56000.00      25.199     -28.114      -2.915   4.12 0.286 0.600 0.259 0.779     228.620     300.000       7.266    2 
+    290000       58000.00      25.319     -25.932      -0.613   5.47 0.214 0.786 0.318 2.452     229.709     300.000       6.942    2 
+    300000       60000.00      21.064     -32.887     -11.823   4.54 0.214 0.750 0.326 1.155     191.100     300.000       6.827    2 
+    310000       62000.00      28.653     -34.255      -5.602   4.73 0.286 0.500 0.210 1.188     259.958     300.000       7.413    2 
+    320000       64000.00      30.712     -26.850       3.863   5.11 0.143 0.750 0.290 1.747     278.637     300.000       7.539    2 
+    330000       66000.00      20.967     -33.963     -12.996   4.99 0.071 0.750 0.205 1.888     190.227     300.000       8.586    2 
+    340000       68000.00      26.538     -16.499      10.040   8.62 0.214 0.400 0.164 2.226     240.771     300.000      11.586    2 
+    350000       70000.00      25.379     -26.067      -0.688   2.96 0.286 0.429 0.175 1.732     230.249     300.000       7.679    2 
+    360000       72000.00      32.490     -40.455      -7.965   5.66 0.143 0.800 0.273 2.150     294.765     300.000       7.306    2 
+    370000       74000.00      32.032     -26.470       5.562   4.20 0.143 0.750 0.278 2.919     290.614     300.000       6.956    2 
+    380000       76000.00      31.446     -27.505       3.940   3.10 0.357 0.444 0.364 2.100     285.292     300.000       7.075    2 
+    390000       78000.00      34.348     -32.373       1.975   3.69 0.143 0.667 0.182 2.017     311.621     300.000       7.389    2 
+    400000       80000.00      25.998     -19.386       6.612   2.97 0.429 0.250 0.284 2.151     235.866     300.000       7.319    2 
+    410000       82000.00      35.153     -25.890       9.263   3.05 0.214 0.571 0.240 1.430     318.922     300.000       7.824    2 
+    420000       84000.00      32.474     -31.137       1.337   6.68 0.429 0.500 0.197 1.342     294.623     300.000       8.834    2 
+    430000       86000.00      32.620     -33.535      -0.914   4.80 0.143 0.818 0.397 1.350     295.949     300.000       7.035    2 
+    440000       88000.00      25.711     -35.155      -9.444   6.06 0.143 0.750 0.261 1.436     233.262     300.000       7.239    2 
+    450000       90000.00      36.907     -30.993       5.914   4.49 0.214 0.727 0.343 1.296     334.839     300.000       7.022    2 
+    460000       92000.00      27.696     -27.432       0.264   5.05 0.357 0.643 0.244 0.669     251.270     300.000       7.173    2 
+    470000       94000.00      32.350     -37.203      -4.854   4.54 0.143 0.818 0.302 1.437     293.492     300.000       6.868    2 
+    480000       96000.00      22.932     -37.132     -14.200   5.55 0.214 0.625 0.244 1.384     208.050     300.000       7.139    2 
+    490000       98000.00      33.273     -28.796       4.476   6.37 0.143 0.714 0.195 1.808     301.866     300.000       8.503    2 
+    500000      100000.00      33.618     -25.866       7.752   4.30 0.214 0.571 0.188 1.594     305.004     300.000       8.392    2 
+    510000      102000.00      28.610     -32.369      -3.759   5.55 0.143 0.800 0.236 2.218     259.568     300.000       7.432    2 
+    520000      104000.00      27.163     -18.065       9.098   4.52 0.071 0.500 0.182 1.283     246.437     300.000       8.637    2 
+    530000      106000.00      27.426     -31.047      -3.620   2.63 0.429 0.538 0.252 2.900     248.827     300.000       7.364    2 
+    540000      108000.00      24.988     -31.020      -6.032   3.02 0.214 0.571 0.292 1.668     226.705     300.000       6.924    2 
+    550000      110000.00      33.578     -29.907       3.671   3.94 0.214 0.700 0.368 2.311     304.634     300.000       6.740    2 
+    560000      112000.00      28.770      -8.914      19.856   4.39 0.214 0.571 0.409 1.569     261.021     300.000       7.581    2 
+    570000      114000.00      27.531     -31.637      -4.107   3.37 0.286 0.667 0.284 2.375     249.773     300.000       6.754    2 
+    580000      116000.00      29.841     -41.682     -11.842   4.01 0.214 0.750 0.254 1.480     270.729     300.000       7.083    2 
+    590000      118000.00      36.216     -35.333       0.883   3.01 0.357 0.688 0.284 1.727     328.571     300.000       6.600    2 
+    600000      120000.00      32.502     -40.721      -8.218   3.57 0.286 0.667 0.345 1.274     294.876     300.000       6.757    2 
+    610000      122000.00      21.651     -28.187      -6.536   4.30 0.357 0.500 0.214 2.558     196.427     300.000       7.806    2 
+    620000      124000.00      22.042     -44.985     -22.943   2.36 0.214 0.700 0.386 1.438     199.978     300.000       6.622    2 
+    630000      126000.00      30.531     -35.689      -5.159   3.61 0.357 0.545 0.314 1.830     276.989     300.000       6.775    2 
+    640000      128000.00      31.070     -29.429       1.642   3.66 0.214 0.700 0.232 1.798     281.886     300.000       7.003    2 
+    650000      130000.00      31.312     -39.300      -7.988   3.21 0.214 0.625 0.324 2.242     284.076     300.000       7.639    2 
+    660000      132000.00      26.891     -29.184      -2.292   3.74 0.286 0.714 0.321 1.413     243.971     300.000       7.085    2 
+    670000      134000.00      28.312     -36.723      -8.411   3.48 0.286 0.636 0.264 1.163     256.865     300.000       7.211    2 
+    680000      136000.00      30.595     -40.166      -9.571   3.83 0.143 0.867 0.415 2.023     277.576     300.000       6.305    2 
+    690000      138000.00      28.254     -11.859      16.394   5.41 0.143 0.667 0.205 1.221     256.331     300.000       8.014    2 
+    700000      140000.00      31.873     -31.392       0.481   2.50 0.500 0.300 0.273 2.248     289.169     300.000       6.857    2 
+    710000      142000.00      30.347     -36.481      -6.134   2.99 0.143 0.800 0.264 2.425     275.323     300.000       7.125    2 
+    720000      144000.00      22.488     -39.596     -17.107   2.80 0.357 0.583 0.367 1.054     204.027     300.000       6.850    2 
+    730000      146000.00      29.858     -31.094      -1.236   3.95 0.214 0.750 0.352 1.013     270.888     300.000       6.697    2 
+    740000      148000.00      23.107     -24.065      -0.958   3.26 0.214 0.824 0.353 1.925     209.636     300.000       6.642    2 
+    750000      150000.00      24.703     -35.678     -10.974   3.01 0.214 0.800 0.358 1.416     224.122     300.000       6.750    2 
+    760000      152000.00      22.624     -28.346      -5.723   4.82 0.286 0.500 0.182 2.217     205.253     300.000       8.274    2 
+    770000      154000.00      22.437     -35.499     -13.062   4.84 0.071 0.917 0.405 0.987     203.560     300.000       7.010    2 
+    780000      156000.00      26.437     -37.120     -10.682   4.37 0.429 0.455 0.244 1.087     239.854     300.000       7.207    2 
+    790000      158000.00      31.100     -23.722       7.378   4.64 0.143 0.600 0.200 1.694     282.157     300.000       8.597    2 
+    800000      160000.00      30.734     -28.841       1.893   6.26 0.214 0.727 0.368 1.783     278.836     300.000       7.310    2 
+    810000      162000.00      31.963     -18.585      13.378   3.32 0.357 0.375 0.261 1.206     289.984     300.000       7.350    2 
+    820000      164000.00      34.083     -26.362       7.721   5.77 0.143 0.500 0.159 1.991     309.220     300.000       9.302    2 
+    830000      166000.00      28.535     -14.884      13.651   4.46 0.071 0.667 0.318 2.643     258.881     300.000       7.801    2 
+    840000      168000.00      31.252     -12.490      18.761   4.11 0.143 0.667 0.250 1.957     283.533     300.000       8.234    2 
+    850000      170000.00      31.909     -31.177       0.733   5.39 0.286 0.636 0.318 1.533     289.499     300.000       7.174    2 
+    860000      172000.00      30.045     -35.040      -4.996   4.66 0.143 0.833 0.318 2.302     272.581     300.000       6.752    2 
+    870000      174000.00      21.850     -30.673      -8.822   4.90 0.214 0.667 0.374 1.900     198.238     300.000       7.723    2 
+    880000      176000.00      30.429     -35.697      -5.268   3.68 0.286 0.600 0.441 1.497     276.066     300.000       6.781    2 
+    890000      178000.00      24.919     -27.736      -2.817   3.11 0.214 0.700 0.195 2.038     226.080     300.000       7.200    2 
+    900000      180000.00      23.136     -21.947       1.189   5.53 0.357 0.615 0.420 2.652     209.903     300.000       6.608    2 
+    910000      182000.00      40.998     -30.891      10.107   6.44 0.214 0.667 0.202 1.245     371.955     300.000       7.182    2 
+    920000      184000.00      25.814     -23.433       2.382   5.43 0.143 0.667 0.379 2.326     234.199     300.000       7.066    2 
+    930000      186000.00      31.423     -37.604      -6.181   3.15 0.429 0.455 0.314 1.233     285.082     300.000       7.024    2 
+    940000      188000.00      30.793     -20.630      10.162   4.02 0.214 0.727 0.335 2.349     279.366     300.000       7.222    2 
+    950000      190000.00      31.218     -33.596      -2.378   3.76 0.143 0.750 0.335 2.304     283.226     300.000       7.979    2 
+    960000      192000.00      25.605     -38.466     -12.861   4.23 0.286 0.733 0.382 1.682     232.306     300.000       6.844    2 
+    970000      194000.00      28.079     -28.308      -0.229   3.12 0.357 0.167 0.227 1.259     254.749     300.000       7.883    2 
+    980000      196000.00      28.789     -12.978      15.811   4.15 0.214 0.000 0.303 2.854     261.191     300.000       7.949    2 
+    990000      198000.00      31.506     -33.903      -2.397   2.82 0.286 0.667 0.326 3.052     285.837     300.000       7.014    2 
+   1000000      200000.00      41.761     -40.540       1.220   3.96 0.214 0.750 0.386 1.549     378.873     300.000       6.878    2 
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB003.stat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB003.stat
index f8498c5..a8d6bbb 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB003.stat
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB003.stat
@@ -1,101 +1,101 @@
          0           0.00      30.203     662.810     693.012   0.00 1.000 0.000 0.308 8.660     274.015     300.000       7.001    3 
-     10000        2000.00      32.336     -32.553      -0.217   3.30 0.286 0.778 0.376 1.351     293.367     300.000       6.764    3 
-     20000        4000.00      23.338     -19.639       3.699   5.01 0.214 0.500 0.235 1.919     211.733     300.000       8.249    3 
-     30000        6000.00      24.113     -25.997      -1.885   3.88 0.214 0.571 0.273 2.258     218.764     300.000       6.897    3 
-     40000        8000.00      27.805     -23.337       4.468   3.65 0.286 0.556 0.177 2.399     252.265     300.000       7.720    3 
-     50000       10000.00      31.346     -20.745      10.601   5.21 0.143 0.714 0.208 1.729     284.387     300.000       9.042    3 
-     60000       12000.00      30.793     -19.070      11.723   6.05 0.143 0.750 0.358 2.805     279.367     300.000       6.944    3 
-     70000       14000.00      30.712     -16.334      14.378   5.07 0.214 0.500 0.197 1.436     278.634     300.000       9.571    3 
-     80000       16000.00      37.473     -28.842       8.631   4.14 0.214 0.571 0.416 0.851     339.977     300.000       7.310    3 
-     90000       18000.00      20.401     -28.147      -7.746   4.09 0.143 0.714 0.357 1.071     185.089     300.000       8.415    3 
-    100000       20000.00      26.662     -22.408       4.254   3.08 0.214 0.700 0.350 0.952     241.890     300.000       6.728    3 
-    110000       22000.00      28.374     -42.144     -13.770   4.07 0.357 0.667 0.279 1.198     257.422     300.000       6.924    3 
-    120000       24000.00      31.510     -33.216      -1.706   4.97 0.214 0.750 0.341 1.510     285.871     300.000       6.710    3 
-    130000       26000.00      29.287     -39.957     -10.671   5.63 0.500 0.562 0.278 2.382     265.704     300.000       6.654    3 
-    140000       28000.00      25.373     -23.606       1.767   4.80 0.357 0.500 0.323 1.346     230.198     300.000       7.207    3 
-    150000       30000.00      27.008     -35.155      -8.147   6.15 0.214 0.750 0.242 1.571     245.028     300.000       7.227    3 
-    160000       32000.00      24.532     -31.639      -7.107   5.12 0.143 0.833 0.239 1.439     222.563     300.000       7.325    3 
-    170000       34000.00      30.175     -28.806       1.369   4.99 0.286 0.429 0.162 1.151     273.762     300.000       7.642    3 
-    180000       36000.00      35.737     -25.104      10.633   4.87 0.071 0.875 0.455 1.475     324.228     300.000       7.041    3 
-    190000       38000.00      28.751     -38.285      -9.534   4.69 0.214 0.700 0.286 1.482     260.848     300.000       7.186    3 
-    200000       40000.00      28.641     -25.975       2.665   5.42 0.143 0.867 0.427 2.258     259.842     300.000       6.633    3 
-    210000       42000.00      37.045     -20.765      16.280   8.78 0.071 0.750 0.170 2.325     336.090     300.000      12.368    3 
-    220000       44000.00      26.368     -23.860       2.508   4.71 0.071 0.750 0.261 2.168     239.224     300.000       7.952    3 
-    230000       46000.00      32.504     -16.580      15.924   6.88 0.143 0.800 0.314 2.781     294.893     300.000       7.279    3 
-    240000       48000.00      31.213     -37.906      -6.693   5.37 0.357 0.643 0.338 1.459     283.184     300.000       6.809    3 
-    250000       50000.00      30.552     -29.359       1.192   6.36 0.214 0.667 0.227 1.511     277.182     300.000       7.183    3 
-    260000       52000.00      36.432     -34.407       2.026   4.18 0.214 0.786 0.419 1.934     330.533     300.000       7.534    3 
-    270000       54000.00      25.895     -25.893       0.002   6.18 0.143 0.714 0.208 1.144     234.929     300.000       9.578    3 
-    280000       56000.00      33.974     -31.212       2.763   4.06 0.143 0.846 0.301 2.067     308.234     300.000       7.127    3 
-    290000       58000.00      27.920     -25.552       2.368   2.95 0.286 0.692 0.371 2.655     253.302     300.000       7.066    3 
-    300000       60000.00      37.506     -35.735       1.771   4.23 0.143 0.714 0.442 1.291     340.276     300.000       7.183    3 
-    310000       62000.00      28.057     -16.533      11.525   4.25 0.143 0.600 0.255 1.820     254.552     300.000       8.396    3 
-    320000       64000.00      29.435     -28.486       0.949   4.02 0.214 0.571 0.364 1.483     267.053     300.000       7.585    3 
-    330000       66000.00      33.726     -43.171      -9.445   5.50 0.357 0.583 0.235 1.442     305.976     300.000       6.783    3 
-    340000       68000.00      28.636     -23.856       4.780   5.89 0.143 0.714 0.487 1.704     259.797     300.000       6.919    3 
-    350000       70000.00      30.248     -25.322       4.927   6.26 0.071 0.857 0.338 1.657     274.427     300.000       7.303    3 
-    360000       72000.00      35.668     -34.715       0.953   5.46 0.071 0.923 0.329 3.185     323.602     300.000       6.795    3 
-    370000       74000.00      31.914     -29.372       2.541   4.72 0.214 0.769 0.241 1.939     289.536     300.000       7.220    3 
-    380000       76000.00      28.105     -28.492      -0.387   5.38 0.143 0.667 0.235 1.241     254.984     300.000       7.184    3 
-    390000       78000.00      38.600     -35.598       3.002   5.67 0.143 0.818 0.326 0.956     350.201     300.000       6.806    3 
-    400000       80000.00      29.776     -32.353      -2.577   4.26 0.429 0.600 0.342 2.068     270.140     300.000       7.328    3 
-    410000       82000.00      26.003     -28.784      -2.781   5.31 0.286 0.714 0.370 2.106     235.915     300.000       6.955    3 
-    420000       84000.00      26.894     -47.146     -20.252   5.48 0.214 0.800 0.345 1.548     243.995     300.000       7.014    3 
-    430000       86000.00      35.863     -27.803       8.061   5.46 0.286 0.600 0.300 2.446     325.371     300.000       6.917    3 
-    440000       88000.00      30.658     -42.976     -12.317   3.73 0.286 0.636 0.298 1.338     278.149     300.000       7.484    3 
-    450000       90000.00      33.502     -36.134      -2.631   5.53 0.214 0.727 0.314 2.563     303.951     300.000       6.727    3 
-    460000       92000.00      22.212     -31.626      -9.414   4.67 0.143 0.600 0.300 2.013     201.522     300.000       7.082    3 
-    470000       94000.00      34.411     -21.988      12.422   8.42 0.286 0.333 0.167 2.100     312.191     300.000      12.186    3 
-    480000       96000.00      25.346     -29.036      -3.691   3.69 0.143 0.714 0.240 1.685     229.949     300.000       7.573    3 
-    490000       98000.00      30.858     -43.981     -13.123   2.15 0.429 0.500 0.231 1.595     279.959     300.000       7.333    3 
-    500000      100000.00      25.897     -38.482     -12.585   2.28 0.500 0.462 0.224 0.976     234.948     300.000       6.936    3 
-    510000      102000.00      29.891     -39.089      -9.198   2.86 0.286 0.556 0.394 1.099     271.183     300.000       7.359    3 
-    520000      104000.00      27.598     -24.174       3.424   5.19 0.214 0.571 0.175 1.530     250.384     300.000       8.302    3 
-    530000      106000.00      23.589     -37.327     -13.738   2.90 0.143 0.800 0.441 1.390     214.011     300.000       7.207    3 
-    540000      108000.00      27.851     -34.430      -6.579   4.79 0.214 0.571 0.182 1.216     252.678     300.000       7.361    3 
-    550000      110000.00      26.444     -40.915     -14.471   4.60 0.214 0.700 0.236 0.770     239.915     300.000       7.462    3 
-    560000      112000.00      37.206     -21.316      15.890   4.95 0.143 0.500 0.148 2.602     337.553     300.000       7.615    3 
-    570000      114000.00      29.554     -21.986       7.568   4.60 0.286 0.500 0.193 1.743     268.128     300.000       8.341    3 
-    580000      116000.00      25.742     -31.341      -5.599   2.38 0.357 0.545 0.360 1.704     233.547     300.000       7.181    3 
-    590000      118000.00      35.410     -23.408      12.002   3.65 0.429 0.400 0.282 2.491     321.258     300.000       7.538    3 
-    600000      120000.00      31.627     -42.605     -10.977   5.55 0.286 0.667 0.371 1.496     286.938     300.000       6.723    3 
-    610000      122000.00      31.291     -22.988       8.303   5.13 0.143 0.714 0.318 1.077     283.885     300.000       8.502    3 
-    620000      124000.00      29.141     -19.819       9.322   4.45 0.071 0.667 0.167 1.560     264.380     300.000       8.808    3 
-    630000      126000.00      31.383     -36.000      -4.617   3.98 0.357 0.500 0.236 1.648     284.722     300.000       7.101    3 
-    640000      128000.00      29.406     -32.501      -3.095   3.07 0.500 0.562 0.315 1.431     266.788     300.000       6.469    3 
-    650000      130000.00      26.161     -29.033      -2.872   3.92 0.286 0.600 0.314 1.292     237.349     300.000       6.738    3 
-    660000      132000.00      26.087     -36.189     -10.101   4.74 0.214 0.786 0.383 2.173     236.678     300.000       6.714    3 
-    670000      134000.00      28.674     -37.004      -8.331   4.21 0.000 1.000 0.312 1.307     260.143     300.000       7.202    3 
-    680000      136000.00      31.346     -21.337      10.009   3.23 0.214 0.500 0.174 1.401     284.386     300.000       7.374    3 
-    690000      138000.00      33.487     -35.874      -2.387   3.84 0.214 0.625 0.307 2.716     303.812     300.000       7.059    3 
-    700000      140000.00      30.925     -25.433       5.493   6.00 0.071 0.800 0.182 1.772     280.571     300.000       7.720    3 
-    710000      142000.00      22.514     -33.573     -11.059   4.16 0.286 0.600 0.309 0.708     204.263     300.000       7.018    3 
-    720000      144000.00      23.054     -22.615       0.439   4.88 0.214 0.667 0.232 1.335     209.157     300.000       6.949    3 
-    730000      146000.00      33.292     -24.620       8.672   4.15 0.429 0.455 0.430 1.624     302.039     300.000       7.093    3 
-    740000      148000.00      26.942     -28.120      -1.178   3.22 0.357 0.500 0.395 1.079     244.435     300.000       6.735    3 
-    750000      150000.00      33.159     -23.061      10.098   4.59 0.357 0.583 0.383 2.384     300.833     300.000       6.956    3 
-    760000      152000.00      26.014     -32.087      -6.073   4.16 0.357 0.583 0.284 1.798     236.012     300.000       7.219    3 
-    770000      154000.00      28.323     -26.149       2.174   4.25 0.214 0.667 0.232 1.507     256.965     300.000       7.112    3 
-    780000      156000.00      27.907     -29.551      -1.644   5.34 0.143 0.800 0.259 2.157     253.186     300.000       8.368    3 
-    790000      158000.00      38.463     -31.904       6.559   4.23 0.214 0.750 0.322 0.997     348.958     300.000       7.273    3 
-    800000      160000.00      32.242     -33.216      -0.975   4.16 0.214 0.571 0.344 1.657     292.515     300.000       7.639    3 
-    810000      162000.00      24.634     -26.970      -2.335   4.27 0.214 0.571 0.273 1.159     223.495     300.000       7.865    3 
-    820000      164000.00      41.765     -33.172       8.594   4.40 0.214 0.700 0.368 1.592     378.918     300.000       7.122    3 
-    830000      166000.00      31.685     -30.930       0.755   4.38 0.429 0.600 0.285 2.166     287.460     300.000       6.884    3 
-    840000      168000.00      31.661     -24.936       6.724   4.77 0.071 0.875 0.307 1.622     287.243     300.000       8.122    3 
-    850000      170000.00      28.438     -27.594       0.844   2.91 0.214 0.667 0.318 1.112     258.002     300.000       7.569    3 
-    860000      172000.00      32.811     -35.494      -2.683   4.16 0.214 0.667 0.318 2.758     297.680     300.000       7.089    3 
-    870000      174000.00      23.042     -34.646     -11.604   3.77 0.214 0.625 0.267 1.349     209.053     300.000       7.509    3 
-    880000      176000.00      37.027     -32.701       4.326   3.75 0.143 0.778 0.354 3.083     335.930     300.000       7.116    3 
-    890000      178000.00      29.618     -27.895       1.723   2.78 0.500 0.300 0.168 1.769     268.714     300.000       7.341    3 
-    900000      180000.00      31.637     -39.218      -7.581   4.34 0.357 0.545 0.211 1.565     287.028     300.000       7.363    3 
-    910000      182000.00      37.261     -39.050      -1.789   6.97 0.214 0.786 0.247 2.361     338.050     300.000       6.994    3 
-    920000      184000.00      22.141     -43.719     -21.578   3.71 0.357 0.688 0.338 1.132     200.873     300.000       6.528    3 
-    930000      186000.00      30.528     -24.974       5.555   3.05 0.429 0.500 0.231 1.838     276.969     300.000       6.674    3 
-    940000      188000.00      32.930     -34.253      -1.323   5.04 0.143 0.800 0.350 2.256     298.762     300.000       6.877    3 
-    950000      190000.00      19.115     -17.788       1.326   7.90 0.214 0.571 0.201 1.371     173.420     300.000      10.644    3 
-    960000      192000.00      25.232     -18.632       6.600   6.98 0.071 0.857 0.286 1.138     228.914     300.000       7.743    3 
-    970000      194000.00      28.931     -25.285       3.646   5.39 0.071 0.889 0.303 1.449     262.476     300.000       6.875    3 
-    980000      196000.00      27.686     -30.645      -2.959   4.62 0.071 0.909 0.360 1.694     251.182     300.000       7.090    3 
-    990000      198000.00      20.618     -24.750      -4.132   5.26 0.214 0.625 0.392 1.133     187.057     300.000       8.128    3 
-   1000000      200000.00      31.020     -30.844       0.176   5.23 0.286 0.600 0.327 1.940     281.430     300.000       6.825    3 
+     10000        2000.00      36.454     -24.511      11.943   5.83 0.214 0.500 0.189 1.042     330.729     300.000      10.059    3 
+     20000        4000.00      27.678     -34.625      -6.946   2.99 0.357 0.444 0.258 1.748     251.112     300.000       7.362    3 
+     30000        6000.00      21.732     -29.996      -8.264   3.73 0.357 0.615 0.294 1.299     197.167     300.000       7.862    3 
+     40000        8000.00      30.736     -27.265       3.471   2.97 0.214 0.667 0.414 1.727     278.850     300.000       7.121    3 
+     50000       10000.00      33.458     -41.599      -8.141   2.20 0.500 0.417 0.223 1.270     303.548     300.000       7.240    3 
+     60000       12000.00      30.929     -30.260       0.669   3.12 0.214 0.667 0.354 1.609     280.602     300.000       6.939    3 
+     70000       14000.00      32.740     -26.319       6.422   4.50 0.071 0.923 0.416 3.366     297.036     300.000       6.943    3 
+     80000       16000.00      35.249     -37.948      -2.699   4.29 0.143 0.833 0.352 1.797     319.795     300.000       6.603    3 
+     90000       18000.00      19.606     -32.478     -12.872   3.00 0.286 0.733 0.330 1.901     177.875     300.000       6.848    3 
+    100000       20000.00      27.762     -38.378     -10.616   3.87 0.357 0.615 0.308 1.343     251.873     300.000       7.554    3 
+    110000       22000.00      25.058     -24.945       0.113   5.00 0.286 0.636 0.331 1.141     227.338     300.000       7.187    3 
+    120000       24000.00      26.603     -29.257      -2.654   4.13 0.214 0.571 0.357 1.903     241.353     300.000       7.262    3 
+    130000       26000.00      29.842     -32.809      -2.967   4.30 0.214 0.667 0.389 2.176     270.741     300.000       7.743    3 
+    140000       28000.00      25.881     -21.048       4.833   5.22 0.071 0.833 0.220 1.012     234.806     300.000       8.095    3 
+    150000       30000.00      28.039     -30.121      -2.082   4.58 0.214 0.727 0.298 1.789     254.380     300.000       6.893    3 
+    160000       32000.00      22.880     -23.804      -0.924   4.30 0.143 0.714 0.396 1.579     207.579     300.000       7.440    3 
+    170000       34000.00      28.115     -26.143       1.972   4.84 0.214 0.667 0.273 1.620     255.077     300.000       6.931    3 
+    180000       36000.00      30.124     -22.360       7.764   4.63 0.143 0.800 0.332 2.325     273.303     300.000       7.071    3 
+    190000       38000.00      24.716     -36.990     -12.275   3.87 0.214 0.786 0.396 1.786     224.236     300.000       6.490    3 
+    200000       40000.00      30.320     -33.775      -3.455   2.83 0.357 0.286 0.240 1.595     275.079     300.000       7.195    3 
+    210000       42000.00      29.408     -13.218      16.191   4.61 0.143 0.778 0.303 2.345     266.807     300.000       6.672    3 
+    220000       44000.00      26.433     -21.117       5.317   4.17 0.071 0.923 0.385 2.260     239.818     300.000       6.830    3 
+    230000       46000.00      27.560     -27.446       0.114   4.95 0.286 0.714 0.403 1.077     250.037     300.000       6.544    3 
+    240000       48000.00      32.116     -35.974      -3.858   6.35 0.143 0.818 0.360 1.040     291.377     300.000       6.685    3 
+    250000       50000.00      31.279     -26.879       4.400   4.64 0.286 0.500 0.307 0.822     283.778     300.000       7.154    3 
+    260000       52000.00      34.770     -31.934       2.836   3.77 0.286 0.636 0.281 1.665     315.453     300.000       6.873    3 
+    270000       54000.00      26.382     -35.733      -9.351   3.00 0.357 0.500 0.314 0.860     239.354     300.000       6.946    3 
+    280000       56000.00      35.441     -36.384      -0.943   2.61 0.357 0.444 0.268 1.599     321.538     300.000       6.874    3 
+    290000       58000.00      27.986     -19.676       8.310   2.97 0.286 0.667 0.273 2.938     253.902     300.000       6.663    3 
+    300000       60000.00      40.720     -39.045       1.675   3.99 0.143 0.714 0.318 1.109     369.432     300.000       7.017    3 
+    310000       62000.00      28.432     -40.598     -12.166   2.69 0.214 0.667 0.298 1.407     257.952     300.000       6.775    3 
+    320000       64000.00      30.763     -29.144       1.619   3.84 0.286 0.333 0.167 1.880     279.097     300.000       7.503    3 
+    330000       66000.00      30.463     -31.890      -1.427   4.88 0.143 0.818 0.269 1.396     276.375     300.000       7.464    3 
+    340000       68000.00      33.410     -43.436     -10.026   4.23 0.286 0.667 0.371 1.458     303.110     300.000       6.969    3 
+    350000       70000.00      28.610     -31.422      -2.811   5.45 0.214 0.700 0.232 1.184     259.566     300.000       7.217    3 
+    360000       72000.00      32.328     -34.883      -2.555   4.67 0.143 0.778 0.308 1.927     293.298     300.000       6.738    3 
+    370000       74000.00      30.229     -32.899      -2.670   6.51 0.071 0.750 0.148 1.160     274.257     300.000       9.804    3 
+    380000       76000.00      32.920     -38.530      -5.610   3.27 0.429 0.538 0.245 2.224     298.669     300.000       6.999    3 
+    390000       78000.00      31.806     -38.360      -6.554   4.08 0.286 0.750 0.321 1.657     288.564     300.000       6.984    3 
+    400000       80000.00      30.519     -24.465       6.054   4.32 0.143 0.818 0.376 1.883     276.884     300.000       6.752    3 
+    410000       82000.00      30.878     -34.531      -3.653   3.95 0.286 0.556 0.278 1.783     280.144     300.000       7.268    3 
+    420000       84000.00      25.235     -30.785      -5.550   4.56 0.286 0.600 0.205 1.717     228.948     300.000       7.690    3 
+    430000       86000.00      37.085     -33.524       3.561   4.51 0.286 0.714 0.364 2.561     336.456     300.000       6.864    3 
+    440000       88000.00      30.197     -23.781       6.416   3.77 0.214 0.571 0.351 2.490     273.967     300.000       7.628    3 
+    450000       90000.00      28.301     -20.226       8.075   3.34 0.143 0.333 0.348 1.213     256.763     300.000       7.600    3 
+    460000       92000.00      20.761     -35.275     -14.514   5.13 0.286 0.667 0.239 1.551     188.351     300.000       7.588    3 
+    470000       94000.00      33.695     -23.357      10.337   5.23 0.286 0.500 0.182 1.557     305.694     300.000       8.283    3 
+    480000       96000.00      28.404     -27.981       0.423   3.03 0.214 0.700 0.350 1.601     257.692     300.000       7.479    3 
+    490000       98000.00      29.892     -36.070      -6.178   4.87 0.286 0.636 0.355 1.376     271.197     300.000       7.329    3 
+    500000      100000.00      26.036     -20.058       5.979   4.55 0.143 0.714 0.390 1.379     236.214     300.000       7.107    3 
+    510000      102000.00      26.834     -18.840       7.993   4.07 0.286 0.600 0.391 1.102     243.448     300.000       7.952    3 
+    520000      104000.00      26.355     -30.984      -4.629   5.17 0.143 0.714 0.299 1.711     239.107     300.000       7.641    3 
+    530000      106000.00      24.750     -26.003      -1.253   5.35 0.071 0.750 0.148 1.800     224.548     300.000      10.092    3 
+    540000      108000.00      23.107     -22.469       0.638   5.69 0.143 0.600 0.155 1.108     209.639     300.000      10.188    3 
+    550000      110000.00      27.247     -32.974      -5.727   3.82 0.143 0.714 0.344 1.570     247.197     300.000       7.741    3 
+    560000      112000.00      31.651     -16.205      15.446   4.49 0.214 0.625 0.170 1.941     287.156     300.000       8.492    3 
+    570000      114000.00      28.144     -24.164       3.980   5.45 0.071 0.667 0.182 1.312     255.337     300.000       8.358    3 
+    580000      116000.00      25.176     -15.797       9.379   7.24 0.214 0.500 0.197 0.206     228.413     300.000       9.639    3 
+    590000      118000.00      33.279     -34.250      -0.970   3.84 0.286 0.600 0.305 2.519     301.927     300.000       7.551    3 
+    600000      120000.00      27.704     -31.044      -3.340   4.59 0.071 0.889 0.288 2.833     251.342     300.000       7.239    3 
+    610000      122000.00      39.751     -35.905       3.845   4.22 0.214 0.700 0.227 0.785     360.637     300.000       7.278    3 
+    620000      124000.00      28.019     -33.581      -5.563   2.90 0.429 0.400 0.436 1.676     254.201     300.000       7.253    3 
+    630000      126000.00      29.952     -36.852      -6.901   3.45 0.500 0.417 0.356 1.553     271.736     300.000       6.929    3 
+    640000      128000.00      29.536     -42.785     -13.249   2.89 0.500 0.588 0.259 1.071     267.969     300.000       6.693    3 
+    650000      130000.00      28.579     -22.485       6.094   3.47 0.214 0.667 0.253 2.026     259.285     300.000       7.244    3 
+    660000      132000.00      29.314     -22.682       6.632   7.27 0.214 0.571 0.240 2.492     265.954     300.000       8.161    3 
+    670000      134000.00      29.932     -27.311       2.620   6.81 0.286 0.556 0.268 2.101     271.557     300.000       6.990    3 
+    680000      136000.00      28.527     -35.201      -6.675   5.23 0.286 0.556 0.212 2.749     258.808     300.000       7.624    3 
+    690000      138000.00      36.121     -28.076       8.045   7.01 0.143 0.500 0.148 1.672     327.710     300.000       8.809    3 
+    700000      140000.00      29.127     -37.561      -8.434   6.98 0.214 0.625 0.216 1.511     264.254     300.000       7.205    3 
+    710000      142000.00      18.914     -37.463     -18.549   3.51 0.357 0.615 0.255 1.148     171.598     300.000       6.787    3 
+    720000      144000.00      27.704     -39.043     -11.339   3.37 0.357 0.583 0.330 2.229     251.347     300.000       6.511    3 
+    730000      146000.00      30.679     -27.361       3.318   3.10 0.286 0.667 0.307 2.158     278.332     300.000       6.956    3 
+    740000      148000.00      29.917     -45.154     -15.238   3.16 0.286 0.667 0.379 2.178     271.419     300.000       6.652    3 
+    750000      150000.00      31.469     -35.723      -4.254   4.02 0.214 0.700 0.441 2.519     285.506     300.000       6.894    3 
+    760000      152000.00      25.364     -41.534     -16.169   5.12 0.286 0.714 0.305 1.767     230.120     300.000       6.646    3 
+    770000      154000.00      30.365     -34.968      -4.603   5.06 0.143 0.750 0.267 1.112     275.486     300.000       7.202    3 
+    780000      156000.00      25.576     -22.459       3.118   3.88 0.143 0.778 0.364 2.157     232.040     300.000       7.495    3 
+    790000      158000.00      39.117     -29.712       9.405   3.86 0.357 0.583 0.405 1.944     354.885     300.000       7.193    3 
+    800000      160000.00      33.544     -32.179       1.365   4.19 0.214 0.667 0.268 3.059     304.332     300.000       7.230    3 
+    810000      162000.00      25.876     -36.301     -10.425   2.87 0.286 0.556 0.197 1.554     234.763     300.000       7.558    3 
+    820000      164000.00      34.542     -36.224      -1.682   2.16 0.571 0.579 0.294 1.886     313.382     300.000       6.650    3 
+    830000      166000.00      32.221     -23.669       8.552   2.84 0.429 0.333 0.278 1.612     292.326     300.000       7.231    3 
+    840000      168000.00      28.061     -20.191       7.869   4.79 0.071 0.667 0.152 1.479     254.582     300.000       8.646    3 
+    850000      170000.00      27.620     -26.126       1.493   4.03 0.357 0.667 0.348 1.202     250.579     300.000       6.666    3 
+    860000      172000.00      30.910      -6.887      24.023   7.29 0.214 0.250 0.182 2.241     280.431     300.000      10.928    3 
+    870000      174000.00      24.926     -38.022     -13.096   6.13 0.357 0.688 0.327 1.131     226.139     300.000       6.824    3 
+    880000      176000.00      31.779     -25.302       6.477   4.37 0.357 0.545 0.376 2.470     288.315     300.000       7.137    3 
+    890000      178000.00      28.942     -21.113       7.828   6.53 0.071 0.857 0.266 1.517     262.572     300.000       8.906    3 
+    900000      180000.00      30.472     -27.733       2.739   5.46 0.071 0.889 0.308 2.305     276.458     300.000       7.503    3 
+    910000      182000.00      35.103     -33.710       1.394   4.90 0.429 0.571 0.312 1.546     318.476     300.000       6.756    3 
+    920000      184000.00      26.194     -32.378      -6.184   3.23 0.286 0.636 0.240 1.248     237.643     300.000       7.319    3 
+    930000      186000.00      34.456     -29.483       4.973   5.84 0.286 0.556 0.303 2.657     312.605     300.000       6.945    3 
+    940000      188000.00      34.193     -37.770      -3.577   4.94 0.214 0.727 0.252 1.691     310.219     300.000       7.153    3 
+    950000      190000.00      26.550     -25.213       1.337   5.81 0.071 0.800 0.200 0.839     240.879     300.000       9.061    3 
+    960000      192000.00      26.539     -33.462      -6.923   4.39 0.214 0.750 0.356 1.277     240.779     300.000       7.318    3 
+    970000      194000.00      27.328     -23.330       3.998   6.31 0.143 0.800 0.341 1.374     247.933     300.000       6.902    3 
+    980000      196000.00      27.909     -25.395       2.514   5.79 0.214 0.727 0.281 1.090     253.204     300.000       7.702    3 
+    990000      198000.00      25.114     -36.309     -11.195   3.37 0.143 0.714 0.247 1.945     227.845     300.000       7.386    3 
+   1000000      200000.00      33.567     -24.397       9.169   4.95 0.286 0.667 0.246 2.567     304.533     300.000       7.068    3 
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB004.stat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB004.stat
index 4877b6b..50a493f 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB004.stat
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB004.stat
@@ -1,101 +1,101 @@
          0           0.00      27.886     662.810     690.695   0.00 1.000 0.000 0.308 8.660     252.992     300.000       7.001    4 
-     10000        2000.00      31.701     -31.533       0.168   5.36 0.214 0.667 0.258 0.751     287.607     300.000       7.135    4 
-     20000        4000.00      30.703     -41.308     -10.605   6.95 0.286 0.636 0.215 0.850     278.555     300.000       7.560    4 
-     30000        6000.00      38.343     -39.227      -0.884   7.14 0.429 0.667 0.278 2.268     347.869     300.000       7.052    4 
-     40000        8000.00      30.740     -28.871       1.869   3.86 0.214 0.667 0.268 1.086     278.889     300.000       6.861    4 
-     50000       10000.00      31.784     -26.864       4.920   5.01 0.357 0.444 0.242 2.905     288.363     300.000       7.563    4 
-     60000       12000.00      25.016     -32.925      -7.908   3.74 0.286 0.333 0.235 1.547     226.959     300.000       7.941    4 
-     70000       14000.00      32.233     -37.715      -5.482   5.58 0.214 0.700 0.318 1.910     292.433     300.000       7.086    4 
-     80000       16000.00      30.609     -30.666      -0.057   6.37 0.071 0.875 0.250 1.395     277.700     300.000       7.557    4 
-     90000       18000.00      29.966     -32.767      -2.801   3.81 0.214 0.786 0.312 1.984     271.865     300.000       7.270    4 
-    100000       20000.00      29.727     -30.208      -0.482   3.83 0.214 0.571 0.253 2.570     269.697     300.000       7.461    4 
-    110000       22000.00      30.771     -19.590      11.182   4.38 0.143 0.750 0.301 1.699     279.173     300.000       7.458    4 
-    120000       24000.00      34.428     -24.838       9.590   6.02 0.286 0.692 0.255 1.669     312.352     300.000       6.649    4 
-    130000       26000.00      29.212     -18.661      10.551   4.44 0.286 0.600 0.268 1.590     265.025     300.000       7.289    4 
-    140000       28000.00      25.125     -26.664      -1.540   5.65 0.214 0.625 0.210 2.107     227.943     300.000       7.334    4 
-    150000       30000.00      29.723     -24.933       4.790   4.12 0.071 0.833 0.182 1.803     269.665     300.000       8.971    4 
-    160000       32000.00      27.238     -31.524      -4.286   6.06 0.143 0.800 0.282 1.124     247.121     300.000       6.623    4 
-    170000       34000.00      18.221     -27.859      -9.638   4.72 0.143 0.800 0.400 4.151     165.307     300.000       7.311    4 
-    180000       36000.00      34.072     -24.986       9.085   5.01 0.214 0.700 0.255 2.658     309.114     300.000       7.674    4 
-    190000       38000.00      30.692     -20.524      10.168   5.84 0.214 0.625 0.256 2.266     278.455     300.000       7.792    4 
-    200000       40000.00      28.304     -22.909       5.395   5.11 0.143 0.778 0.253 2.523     256.789     300.000       7.310    4 
-    210000       42000.00      29.952     -29.483       0.469   4.06 0.357 0.615 0.290 2.726     271.742     300.000       7.310    4 
-    220000       44000.00      25.059     -36.518     -11.459   5.55 0.286 0.692 0.360 3.122     227.348     300.000       6.746    4 
-    230000       46000.00      23.161     -35.866     -12.705   4.84 0.143 0.667 0.341 1.069     210.133     300.000       7.050    4 
-    240000       48000.00      24.393     -34.047      -9.654   5.06 0.214 0.727 0.273 1.345     221.307     300.000       7.427    4 
-    250000       50000.00      26.023     -29.515      -3.492   5.38 0.286 0.636 0.326 3.075     236.098     300.000       6.857    4 
-    260000       52000.00      30.316     -35.181      -4.865   4.96 0.214 0.667 0.253 1.894     275.040     300.000       7.052    4 
-    270000       54000.00      23.504     -35.324     -11.820   7.10 0.143 0.714 0.266 1.192     213.237     300.000       7.985    4 
-    280000       56000.00      25.913     -16.677       9.237   5.01 0.214 0.400 0.182 1.506     235.099     300.000       7.823    4 
-    290000       58000.00      30.645     -35.819      -5.174   3.41 0.143 0.857 0.269 1.042     278.031     300.000       6.956    4 
-    300000       60000.00      30.458     -26.867       3.591   5.70 0.286 0.667 0.314 2.912     276.330     300.000       6.654    4 
-    310000       62000.00      28.712     -29.725      -1.013   4.57 0.286 0.556 0.253 1.846     260.491     300.000       7.289    4 
-    320000       64000.00      29.668     -29.504       0.164   5.38 0.214 0.700 0.382 1.110     269.164     300.000       6.896    4 
-    330000       66000.00      30.292     -30.812      -0.520   5.40 0.143 0.778 0.338 1.051     274.821     300.000       7.510    4 
-    340000       68000.00      33.600     -27.987       5.613   2.38 0.214 0.571 0.351 2.080     304.835     300.000       6.875    4 
-    350000       70000.00      31.440     -22.542       8.898   2.55 0.286 0.692 0.269 1.461     285.242     300.000       7.044    4 
-    360000       72000.00      24.458     -38.508     -14.051   4.22 0.143 0.714 0.227 1.582     221.893     300.000       8.616    4 
-    370000       74000.00      30.879     -29.063       1.816   3.15 0.214 0.727 0.223 1.459     280.153     300.000       7.565    4 
-    380000       76000.00      29.336     -37.786      -8.449   3.29 0.214 0.625 0.182 1.821     266.153     300.000       6.936    4 
-    390000       78000.00      30.090     -26.275       3.815   2.55 0.429 0.571 0.308 2.728     272.996     300.000       6.707    4 
-    400000       80000.00      34.859     -22.599      12.261   4.25 0.143 0.818 0.331 2.160     316.263     300.000       6.638    4 
-    410000       82000.00      27.369     -34.713      -7.344   4.00 0.286 0.556 0.167 2.152     248.302     300.000       7.453    4 
-    420000       84000.00      30.623     -36.785      -6.162   4.02 0.357 0.615 0.315 2.334     277.828     300.000       6.969    4 
-    430000       86000.00      34.286     -38.988      -4.703   3.62 0.071 0.889 0.308 1.552     311.056     300.000       6.703    4 
-    440000       88000.00      29.617     -41.308     -11.691   4.12 0.286 0.733 0.358 1.167     268.700     300.000       6.744    4 
-    450000       90000.00      28.123     -40.806     -12.683   5.93 0.214 0.769 0.374 0.952     255.148     300.000       6.814    4 
-    460000       92000.00      24.934     -28.843      -3.910   2.84 0.357 0.667 0.458 2.469     226.211     300.000       6.566    4 
-    470000       94000.00      31.399     -38.581      -7.182   2.88 0.214 0.727 0.376 1.676     284.866     300.000       6.911    4 
-    480000       96000.00      28.887     -30.426      -1.538   2.09 0.429 0.455 0.248 1.634     262.082     300.000       6.974    4 
-    490000       98000.00      28.404     -37.185      -8.781   3.49 0.429 0.600 0.224 1.435     257.697     300.000       7.028    4 
-    500000      100000.00      22.035     -36.597     -14.561   2.56 0.500 0.500 0.334 1.192     199.916     300.000       6.827    4 
-    510000      102000.00      25.888     -33.022      -7.134   2.72 0.429 0.500 0.269 1.432     234.868     300.000       6.990    4 
-    520000      104000.00      33.153     -35.065      -1.912   3.31 0.357 0.444 0.424 1.978     300.781     300.000       7.276    4 
-    530000      106000.00      24.363     -40.403     -16.040   3.45 0.214 0.667 0.278 2.055     221.031     300.000       6.969    4 
-    540000      108000.00      30.459     -41.815     -11.356   3.35 0.214 0.500 0.167 0.977     276.336     300.000       7.052    4 
-    550000      110000.00      31.185     -28.169       3.016   3.29 0.429 0.538 0.231 2.820     282.928     300.000       6.907    4 
-    560000      112000.00      28.674     -32.180      -3.506   3.47 0.214 0.750 0.337 1.584     260.145     300.000       6.877    4 
-    570000      114000.00      31.815     -30.695       1.120   6.18 0.071 0.833 0.205 2.763     288.645     300.000      10.037    4 
-    580000      116000.00      28.296     -25.505       2.790   5.28 0.214 0.727 0.322 1.903     256.714     300.000       6.731    4 
-    590000      118000.00      27.516     -22.614       4.902   4.37 0.143 0.750 0.381 0.784     249.642     300.000       8.170    4 
-    600000      120000.00      28.078     -32.979      -4.901   4.62 0.286 0.500 0.244 1.268     254.734     300.000       7.599    4 
-    610000      122000.00      33.800     -37.173      -3.372   4.04 0.143 0.778 0.197 2.287     306.654     300.000       7.442    4 
-    620000      124000.00      30.621     -23.630       6.991   3.38 0.286 0.600 0.432 1.757     277.809     300.000       6.965    4 
-    630000      126000.00      29.185     -38.661      -9.476   4.00 0.357 0.444 0.328 1.851     264.781     300.000       6.530    4 
-    640000      128000.00      31.659     -38.519      -6.860   3.90 0.214 0.571 0.253 1.655     287.231     300.000       6.857    4 
-    650000      130000.00      34.269     -33.068       1.201   3.19 0.286 0.667 0.231 1.323     310.907     300.000       7.136    4 
-    660000      132000.00      27.111     -42.025     -14.915   3.60 0.214 0.667 0.389 2.580     245.962     300.000       6.728    4 
-    670000      134000.00      33.181     -34.064      -0.883   3.16 0.357 0.615 0.311 1.059     301.035     300.000       6.735    4 
-    680000      136000.00      31.985     -23.329       8.656   4.89 0.071 0.667 0.288 0.828     290.180     300.000       8.263    4 
-    690000      138000.00      25.966     -32.351      -6.385   4.41 0.286 0.667 0.367 1.759     235.577     300.000       8.032    4 
-    700000      140000.00      30.043     -36.888      -6.845   3.80 0.357 0.444 0.348 1.631     272.569     300.000       7.140    4 
-    710000      142000.00      29.754     -33.711      -3.957   3.71 0.429 0.571 0.305 1.338     269.945     300.000       6.728    4 
-    720000      144000.00      27.859     -28.009      -0.150   4.03 0.286 0.600 0.268 1.401     252.752     300.000       7.418    4 
-    730000      146000.00      30.791     -23.204       7.587   4.51 0.214 0.571 0.227 2.051     279.355     300.000       8.463    4 
-    740000      148000.00      24.657     -30.698      -6.041   4.24 0.214 0.667 0.384 1.247     223.705     300.000       7.011    4 
-    750000      150000.00      29.220     -29.157       0.063   4.91 0.143 0.667 0.295 2.099     265.101     300.000       8.367    4 
-    760000      152000.00      38.938     -15.044      23.894   6.49 0.214 0.667 0.212 1.189     353.264     300.000       9.142    4 
-    770000      154000.00      32.576     -25.525       7.051   6.80 0.286 0.500 0.188 2.265     295.543     300.000       8.214    4 
-    780000      156000.00      28.545     -30.117      -1.572   4.71 0.214 0.625 0.199 1.250     258.974     300.000       8.047    4 
-    790000      158000.00      31.584     -27.043       4.541   3.58 0.286 0.667 0.318 2.718     286.545     300.000       6.634    4 
-    800000      160000.00      31.835     -37.099      -5.264   3.36 0.429 0.400 0.364 1.619     288.823     300.000       6.759    4 
-    810000      162000.00      31.089     -26.384       4.705   3.91 0.429 0.333 0.247 1.790     282.060     300.000       7.643    4 
-    820000      164000.00      26.766     -33.633      -6.866   4.73 0.286 0.636 0.223 1.818     242.838     300.000       7.470    4 
-    830000      166000.00      28.610     -29.950      -1.339   4.62 0.286 0.333 0.197 1.945     259.567     300.000       7.972    4 
-    840000      168000.00      26.085     -33.739      -7.654   5.80 0.214 0.727 0.322 1.406     236.659     300.000       7.224    4 
-    850000      170000.00      24.893     -26.350      -1.457   5.61 0.357 0.444 0.197 2.262     225.841     300.000       7.453    4 
-    860000      172000.00      33.175     -26.580       6.595   5.03 0.143 0.750 0.295 2.945     300.980     300.000       7.396    4 
-    870000      174000.00      39.915     -35.751       4.164   4.39 0.500 0.500 0.354 0.907     362.125     300.000       7.097    4 
-    880000      176000.00      30.994     -26.032       4.962   6.90 0.214 0.667 0.202 1.269     281.196     300.000       7.737    4 
-    890000      178000.00      31.762     -28.607       3.155   6.76 0.214 0.700 0.195 1.354     288.164     300.000       7.758    4 
-    900000      180000.00      35.460     -43.179      -7.718   4.15 0.286 0.667 0.394 1.229     321.714     300.000       6.758    4 
-    910000      182000.00      27.294     -24.572       2.722   4.75 0.214 0.571 0.247 1.289     247.627     300.000       6.997    4 
-    920000      184000.00      21.208     -31.409     -10.200   4.38 0.429 0.647 0.398 1.359     192.411     300.000       6.887    4 
-    930000      186000.00      23.287     -35.680     -12.392   6.93 0.357 0.643 0.253 1.018     211.275     300.000       7.464    4 
-    940000      188000.00      26.632     -28.872      -2.240   4.42 0.214 0.571 0.208 1.492     241.621     300.000       8.215    4 
-    950000      190000.00      33.889     -42.381      -8.492   5.14 0.286 0.636 0.293 1.320     307.457     300.000       6.877    4 
-    960000      192000.00      26.883     -26.760       0.124   4.57 0.286 0.636 0.331 1.279     243.901     300.000       7.361    4 
-    970000      194000.00      27.051     -29.011      -1.960   5.18 0.143 0.750 0.347 1.593     245.424     300.000       7.385    4 
-    980000      196000.00      30.632     -17.833      12.799   3.22 0.214 0.500 0.402 2.755     277.913     300.000       7.367    4 
-    990000      198000.00      29.826     -11.293      18.533   3.69 0.286 0.333 0.167 2.014     270.601     300.000       8.425    4 
-   1000000      200000.00      36.322     -32.343       3.979   2.57 0.357 0.444 0.359 1.799     329.534     300.000       6.523    4 
+     10000        2000.00      28.446     -28.210       0.235   6.85 0.214 0.700 0.209 1.102     258.075     300.000       7.478    4 
+     20000        4000.00      26.379     -20.606       5.773   4.60 0.214 0.571 0.390 1.966     239.325     300.000       7.594    4 
+     30000        6000.00      33.705     -21.035      12.670   4.77 0.286 0.333 0.409 1.267     305.785     300.000       7.789    4 
+     40000        8000.00      33.018     -34.211      -1.194   3.82 0.286 0.636 0.318 1.787     299.552     300.000       7.637    4 
+     50000       10000.00      31.539     -17.005      14.533   5.66 0.071 0.800 0.309 4.089     286.136     300.000       7.220    4 
+     60000       12000.00      23.801     -33.614      -9.813   5.47 0.357 0.583 0.242 2.357     215.939     300.000       6.820    4 
+     70000       14000.00      32.854     -28.329       4.525   5.18 0.143 0.778 0.298 2.398     298.068     300.000       7.077    4 
+     80000       16000.00      29.458     -21.662       7.796   5.05 0.071 0.833 0.182 2.383     267.258     300.000       8.401    4 
+     90000       18000.00      28.798     -23.916       4.882   3.83 0.214 0.500 0.318 1.599     261.268     300.000       8.637    4 
+    100000       20000.00      30.352     -27.757       2.595   6.51 0.143 0.500 0.148 2.585     275.365     300.000      10.966    4 
+    110000       22000.00      35.554     -12.338      23.216   4.80 0.071 0.889 0.217 2.206     322.567     300.000       7.491    4 
+    120000       24000.00      33.124     -24.713       8.411   6.43 0.143 0.778 0.247 1.403     300.514     300.000       7.308    4 
+    130000       26000.00      25.896     -13.524      12.372   5.09 0.214 0.667 0.263 2.628     234.945     300.000       8.275    4 
+    140000       28000.00      26.235     -33.252      -7.017   6.05 0.286 0.600 0.232 1.854     238.018     300.000       7.418    4 
+    150000       30000.00      31.223     -32.540      -1.317   6.79 0.286 0.636 0.190 1.835     283.268     300.000       8.287    4 
+    160000       32000.00      24.209     -29.330      -5.120   4.04 0.214 0.571 0.188 0.936     219.641     300.000       7.048    4 
+    170000       34000.00      22.624     -24.313      -1.690   3.95 0.286 0.667 0.254 1.205     205.252     300.000       6.878    4 
+    180000       36000.00      38.186     -20.298      17.888   5.78 0.143 0.778 0.263 2.619     346.440     300.000       8.743    4 
+    190000       38000.00      26.105     -31.113      -5.008   3.99 0.357 0.643 0.179 2.023     236.841     300.000       7.199    4 
+    200000       40000.00      31.579     -31.970      -0.391   1.81 0.571 0.200 0.318 2.104     286.497     300.000       7.279    4 
+    210000       42000.00      29.564     -31.317      -1.752   3.26 0.286 0.500 0.188 2.671     268.223     300.000       7.469    4 
+    220000       44000.00      29.020     -37.765      -8.745   2.69 0.571 0.385 0.245 1.313     263.286     300.000       6.893    4 
+    230000       46000.00      25.388     -25.232       0.156   8.88 0.214 0.400 0.155 1.696     230.335     300.000      11.902    4 
+    240000       48000.00      24.969     -32.170      -7.201   7.16 0.143 0.778 0.242 1.225     226.529     300.000       6.865    4 
+    250000       50000.00      26.084     -17.044       9.040   4.07 0.214 0.250 0.170 1.144     236.650     300.000       8.549    4 
+    260000       52000.00      29.314     -25.174       4.141   5.93 0.286 0.692 0.322 1.052     265.954     300.000       6.671    4 
+    270000       54000.00      26.517     -25.709       0.808   3.50 0.143 0.800 0.359 1.123     240.578     300.000       7.005    4 
+    280000       56000.00      26.801     -27.604      -0.804   4.03 0.000 1.000 0.295 3.515     243.151     300.000       7.430    4 
+    290000       58000.00      28.304     -23.413       4.891   3.62 0.000 1.000 0.394 1.571     256.792     300.000       8.013    4 
+    300000       60000.00      33.688     -28.858       4.830   3.39 0.286 0.429 0.175 2.405     305.635     300.000       8.058    4 
+    310000       62000.00      25.431     -30.085      -4.654   4.94 0.214 0.667 0.247 2.066     230.723     300.000       7.511    4 
+    320000       64000.00      32.612     -20.359      12.254   5.42 0.357 0.545 0.190 2.600     295.876     300.000       7.235    4 
+    330000       66000.00      28.821     -29.469      -0.647   5.11 0.214 0.786 0.263 0.930     261.482     300.000       6.941    4 
+    340000       68000.00      30.773     -16.700      14.073   5.86 0.071 0.750 0.295 2.805     279.186     300.000       9.126    4 
+    350000       70000.00      31.129     -19.435      11.694   3.78 0.071 0.875 0.290 1.627     282.418     300.000       7.698    4 
+    360000       72000.00      21.315     -32.724     -11.409   4.93 0.286 0.692 0.231 3.594     193.376     300.000       7.453    4 
+    370000       74000.00      34.410     -33.033       1.377   5.36 0.214 0.625 0.261 1.274     312.186     300.000       7.420    4 
+    380000       76000.00      30.544     -26.285       4.259   4.49 0.143 0.500 0.284 1.401     277.111     300.000       8.051    4 
+    390000       78000.00      28.745     -16.237      12.508   5.72 0.286 0.500 0.176 2.378     260.788     300.000       9.338    4 
+    400000       80000.00      34.608     -18.134      16.474   5.18 0.143 0.818 0.413 3.063     313.979     300.000       7.197    4 
+    410000       82000.00      26.747     -29.167      -2.420   4.92 0.214 0.700 0.323 1.708     242.665     300.000       7.387    4 
+    420000       84000.00      28.416     -24.318       4.098   3.04 0.286 0.500 0.205 1.470     257.808     300.000       7.677    4 
+    430000       86000.00      29.323     -22.424       6.900   4.27 0.214 0.571 0.240 2.064     266.035     300.000       8.374    4 
+    440000       88000.00      28.310     -32.210      -3.900   3.78 0.286 0.667 0.333 2.110     256.841     300.000       6.389    4 
+    450000       90000.00      26.248     -30.641      -4.393   3.21 0.429 0.455 0.302 1.565     238.138     300.000       6.765    4 
+    460000       92000.00      27.835     -34.689      -6.854   2.24 0.214 0.667 0.298 1.646     252.532     300.000       7.359    4 
+    470000       94000.00      26.512     -32.899      -6.387   4.20 0.214 0.667 0.237 2.949     240.531     300.000       6.904    4 
+    480000       96000.00      31.219     -39.480      -8.261   3.89 0.214 0.700 0.250 1.935     283.239     300.000       7.047    4 
+    490000       98000.00      35.144     -24.075      11.070   3.76 0.286 0.600 0.295 1.328     318.849     300.000       6.539    4 
+    500000      100000.00      30.492     -41.945     -11.453   3.86 0.214 0.750 0.295 1.087     276.642     300.000       6.941    4 
+    510000      102000.00      26.567     -39.619     -13.052   4.23 0.071 0.917 0.311 2.413     241.030     300.000       7.326    4 
+    520000      104000.00      32.806     -18.569      14.236   3.46 0.214 0.250 0.159 1.589     297.629     300.000       7.742    4 
+    530000      106000.00      25.248     -44.114     -18.867   2.81 0.286 0.500 0.369 1.578     229.059     300.000       6.907    4 
+    540000      108000.00      31.318     -32.373      -1.055   1.65 0.357 0.500 0.295 1.728     284.132     300.000       7.022    4 
+    550000      110000.00      34.978     -31.166       3.812   5.97 0.357 0.500 0.177 2.155     317.338     300.000       7.734    4 
+    560000      112000.00      29.329     -31.359      -2.031   3.46 0.286 0.429 0.266 2.172     266.085     300.000       7.490    4 
+    570000      114000.00      28.417     -31.114      -2.697   2.45 0.500 0.500 0.289 2.197     257.813     300.000       6.940    4 
+    580000      116000.00      31.814     -25.382       6.432   6.18 0.214 0.667 0.212 1.456     288.633     300.000       7.683    4 
+    590000      118000.00      29.628     -22.023       7.605   5.02 0.286 0.429 0.253 1.189     268.801     300.000       7.598    4 
+    600000      120000.00      28.852     -23.077       5.774   4.17 0.071 0.857 0.279 1.179     261.758     300.000       6.694    4 
+    610000      122000.00      28.211     -23.163       5.048   7.35 0.143 0.714 0.169 1.574     255.949     300.000      11.002    4 
+    620000      124000.00      31.949     -36.195      -4.246   2.62 0.286 0.667 0.330 2.597     289.858     300.000       6.956    4 
+    630000      126000.00      32.595     -34.069      -1.474   4.15 0.214 0.500 0.250 1.053     295.723     300.000       7.127    4 
+    640000      128000.00      29.728     -22.969       6.760   4.80 0.286 0.714 0.351 2.789     269.709     300.000       6.813    4 
+    650000      130000.00      36.055     -29.960       6.095   4.90 0.286 0.667 0.265 1.334     327.108     300.000       7.086    4 
+    660000      132000.00      26.832     -32.990      -6.158   4.86 0.429 0.400 0.195 1.294     243.435     300.000       7.457    4 
+    670000      134000.00      29.178     -26.207       2.971   4.49 0.286 0.636 0.260 2.295     264.715     300.000       7.291    4 
+    680000      136000.00      29.830     -35.849      -6.019   3.41 0.357 0.667 0.333 2.059     270.635     300.000       6.501    4 
+    690000      138000.00      27.270     -33.161      -5.891   3.84 0.143 0.714 0.253 1.633     247.409     300.000       7.223    4 
+    700000      140000.00      29.703     -15.057      14.646   5.65 0.143 0.333 0.152 1.052     269.482     300.000      10.667    4 
+    710000      142000.00      31.217     -15.837      15.380   7.08 0.071 0.857 0.162 1.334     283.217     300.000      10.311    4 
+    720000      144000.00      28.919     -22.390       6.529   5.02 0.214 0.500 0.265 1.587     262.369     300.000       7.906    4 
+    730000      146000.00      32.863     -20.973      11.889   6.03 0.071 0.800 0.218 2.366     298.149     300.000       9.070    4 
+    740000      148000.00      22.072     -30.899      -8.827   5.55 0.429 0.571 0.185 1.299     200.252     300.000       8.256    4 
+    750000      150000.00      31.677     -36.220      -4.542   4.92 0.286 0.636 0.244 1.723     287.393     300.000       7.188    4 
+    760000      152000.00      41.160     -34.846       6.314   4.82 0.071 0.857 0.318 1.944     373.424     300.000       7.599    4 
+    770000      154000.00      30.385     -27.298       3.087   4.54 0.286 0.600 0.327 2.052     275.666     300.000       7.334    4 
+    780000      156000.00      31.458     -24.113       7.345   4.64 0.286 0.429 0.175 1.877     285.404     300.000       8.126    4 
+    790000      158000.00      35.125     -36.173      -1.048   5.15 0.214 0.750 0.379 1.933     318.672     300.000       6.586    4 
+    800000      160000.00      30.556     -22.940       7.617   5.34 0.071 0.833 0.303 1.604     277.222     300.000       7.789    4 
+    810000      162000.00      28.223     -22.573       5.650   5.17 0.071 0.800 0.182 1.348     256.050     300.000       9.088    4 
+    820000      164000.00      26.644     -32.918      -6.274   6.15 0.286 0.600 0.214 2.147     241.726     300.000       7.333    4 
+    830000      166000.00      25.744     -34.476      -8.732   4.25 0.214 0.700 0.400 1.668     233.567     300.000       7.242    4 
+    840000      168000.00      25.414     -24.088       1.326   5.14 0.143 0.750 0.330 1.070     230.572     300.000       7.692    4 
+    850000      170000.00      22.052     -24.450      -2.398   4.61 0.071 0.667 0.348 1.636     200.068     300.000       8.309    4 
+    860000      172000.00      27.853     -23.445       4.408   7.47 0.286 0.600 0.214 2.400     252.697     300.000       7.949    4 
+    870000      174000.00      35.225     -31.066       4.159   6.23 0.286 0.600 0.214 1.111     319.576     300.000       7.416    4 
+    880000      176000.00      34.764     -18.924      15.840   7.75 0.214 0.400 0.164 1.907     315.397     300.000       9.389    4 
+    890000      178000.00      37.356     -28.069       9.288   6.97 0.143 0.667 0.189 1.614     338.916     300.000      10.360    4 
+    900000      180000.00      32.088     -22.098       9.990   7.18 0.143 0.750 0.205 2.541     291.119     300.000       9.145    4 
+    910000      182000.00      29.237     -23.624       5.614   3.65 0.143 0.667 0.174 2.114     265.256     300.000       7.992    4 
+    920000      184000.00      26.141     -36.818     -10.677   3.92 0.357 0.643 0.377 1.727     237.166     300.000       6.277    4 
+    930000      186000.00      24.592     -31.687      -7.095   4.27 0.357 0.500 0.168 1.806     223.113     300.000       8.228    4 
+    940000      188000.00      31.165     -46.781     -15.615   2.00 0.429 0.600 0.318 1.371     282.749     300.000       6.614    4 
+    950000      190000.00      32.073     -27.344       4.729   3.18 0.214 0.750 0.295 1.601     290.982     300.000       7.136    4 
+    960000      192000.00      27.590     -39.075     -11.485   2.92 0.357 0.615 0.301 2.230     250.308     300.000       6.698    4 
+    970000      194000.00      31.431     -29.652       1.779   3.61 0.071 0.800 0.409 1.667     285.155     300.000       6.903    4 
+    980000      196000.00      33.351     -18.233      15.118   4.18 0.286 0.600 0.309 0.743     302.577     300.000       7.392    4 
+    990000      198000.00      35.716     -34.409       1.307   2.18 0.500 0.462 0.413 1.782     324.034     300.000       6.489    4 
+   1000000      200000.00      31.610     -31.191       0.418   3.10 0.214 0.571 0.325 1.325     286.782     300.000       6.884    4 
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB005.stat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB005.stat
index f87c335..279c675 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB005.stat
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB005.stat
@@ -1,101 +1,101 @@
          0           0.00      34.712     662.810     697.522   0.00 1.000 0.000 0.308 8.660     314.929     300.000       7.001    5 
-     10000        2000.00      24.652     -41.261     -16.610   3.10 0.357 0.583 0.330 0.983     223.651     300.000       6.765    5 
-     20000        4000.00      27.443     -25.122       2.321   6.16 0.214 0.500 0.174 2.093     248.978     300.000       8.578    5 
-     30000        6000.00      34.779     -28.645       6.134   5.32 0.214 0.700 0.232 1.598     315.531     300.000       7.698    5 
-     40000        8000.00      25.957     -28.104      -2.147   4.56 0.286 0.500 0.170 1.143     235.496     300.000       8.624    5 
-     50000       10000.00      30.860     -34.783      -3.924   2.29 0.286 0.636 0.298 2.450     279.974     300.000       7.018    5 
-     60000       12000.00      26.240     -32.911      -6.671   3.63 0.214 0.727 0.256 2.429     238.065     300.000       6.907    5 
-     70000       14000.00      20.974     -38.889     -17.915   4.19 0.286 0.636 0.306 3.636     190.291     300.000       6.792    5 
-     80000       16000.00      30.210     -24.658       5.552   3.61 0.286 0.333 0.235 1.476     274.079     300.000       7.116    5 
-     90000       18000.00      27.154     -37.251     -10.097   3.93 0.286 0.692 0.332 1.995     246.354     300.000       7.025    5 
-    100000       20000.00      25.439     -29.949      -4.510   5.14 0.214 0.625 0.290 2.489     230.792     300.000       7.486    5 
-    110000       22000.00      33.184     -37.636      -4.452   3.79 0.286 0.600 0.409 1.792     301.064     300.000       7.412    5 
-    120000       24000.00      33.660     -24.000       9.660   2.85 0.429 0.400 0.323 2.563     305.377     300.000       7.037    5 
-    130000       26000.00      34.242     -17.686      16.556   3.28 0.214 0.700 0.355 2.949     310.660     300.000       6.885    5 
-    140000       28000.00      33.107     -35.329      -2.222   3.60 0.357 0.615 0.325 1.606     300.360     300.000       7.149    5 
-    150000       30000.00      32.327     -24.762       7.565   3.78 0.143 0.800 0.355 1.752     293.284     300.000       7.725    5 
-    160000       32000.00      37.181     -26.777      10.405   4.19 0.214 0.400 0.327 1.373     337.327     300.000       7.609    5 
-    170000       34000.00      24.958     -19.536       5.422   5.68 0.214 0.786 0.302 2.334     226.430     300.000       7.236    5 
-    180000       36000.00      33.360     -34.502      -1.141   3.32 0.357 0.615 0.217 1.013     302.663     300.000       7.135    5 
-    190000       38000.00      31.656     -21.876       9.779   5.11 0.286 0.556 0.283 1.597     287.198     300.000       7.173    5 
-    200000       40000.00      32.144     -27.819       4.324   4.51 0.286 0.556 0.217 1.552     291.625     300.000       7.555    5 
-    210000       42000.00      25.715     -32.928      -7.213   4.92 0.214 0.500 0.341 2.271     233.299     300.000       6.951    5 
-    220000       44000.00      29.194     -32.118      -2.924   6.01 0.286 0.800 0.366 2.180     264.861     300.000       6.415    5 
-    230000       46000.00      33.533     -37.182      -3.649   4.75 0.286 0.600 0.286 1.578     304.229     300.000       7.137    5 
-    240000       48000.00      33.961     -35.290      -1.330   4.64 0.286 0.636 0.277 1.483     308.108     300.000       7.355    5 
-    250000       50000.00      28.166     -30.485      -2.320   3.48 0.286 0.733 0.309 1.266     255.532     300.000       6.689    5 
-    260000       52000.00      32.444     -18.470      13.974   3.63 0.143 0.750 0.244 2.060     294.346     300.000       6.955    5 
-    270000       54000.00      35.416     -15.611      19.805   9.01 0.286 0.500 0.153 2.934     321.312     300.000      11.001    5 
-    280000       56000.00      24.577     -22.660       1.916   2.63 0.286 0.636 0.231 1.630     222.973     300.000       7.243    5 
-    290000       58000.00      27.503     -29.055      -1.553   4.07 0.143 0.600 0.236 1.598     249.521     300.000       7.733    5 
-    300000       60000.00      28.731     -20.889       7.841   4.44 0.143 0.333 0.409 2.819     260.660     300.000       9.161    5 
-    310000       62000.00      30.574     -31.357      -0.783   6.74 0.214 0.667 0.242 2.099     277.385     300.000       6.988    5 
-    320000       64000.00      26.461     -33.704      -7.243   5.26 0.357 0.545 0.347 0.887     240.070     300.000       7.099    5 
-    330000       66000.00      38.926     -34.425       4.501   5.70 0.214 0.625 0.341 1.826     353.157     300.000       7.247    5 
-    340000       68000.00      25.359     -21.057       4.302   7.63 0.214 0.250 0.159 1.639     230.071     300.000      10.586    5 
-    350000       70000.00      34.934     -33.720       1.214   5.31 0.286 0.600 0.232 3.099     316.938     300.000       6.778    5 
-    360000       72000.00      28.142     -35.166      -7.024   3.54 0.286 0.692 0.343 2.240     255.316     300.000       6.806    5 
-    370000       74000.00      34.373     -26.960       7.413   2.30 0.286 0.667 0.307 3.426     311.849     300.000       6.611    5 
-    380000       76000.00      21.945     -32.252     -10.307   2.65 0.571 0.429 0.263 1.282     199.095     300.000       6.870    5 
-    390000       78000.00      25.613     -33.525      -7.912   3.78 0.357 0.444 0.449 1.749     232.376     300.000       7.199    5 
-    400000       80000.00      30.294     -25.041       5.252   4.46 0.071 0.909 0.409 1.878     274.841     300.000       7.742    5 
-    410000       82000.00      30.683     -30.814      -0.131   5.26 0.214 0.625 0.233 2.003     278.374     300.000       7.411    5 
-    420000       84000.00      27.041     -35.511      -8.470   5.02 0.286 0.714 0.279 1.551     245.331     300.000       7.229    5 
-    430000       86000.00      26.595     -19.012       7.584   6.01 0.214 0.250 0.216 1.719     241.287     300.000       8.593    5 
-    440000       88000.00      35.231     -25.525       9.706   6.68 0.286 0.636 0.211 2.240     319.631     300.000       7.860    5 
-    450000       90000.00      25.758     -36.532     -10.775   5.74 0.214 0.750 0.398 1.461     233.689     300.000       6.673    5 
-    460000       92000.00      30.485     -23.172       7.313   4.73 0.143 0.800 0.191 1.476     276.577     300.000       7.262    5 
-    470000       94000.00      26.474     -43.278     -16.804   5.84 0.357 0.688 0.332 0.836     240.189     300.000       6.305    5 
-    480000       96000.00      26.704     -36.907     -10.203   5.82 0.214 0.700 0.341 0.866     242.275     300.000       7.022    5 
-    490000       98000.00      28.207     -33.795      -5.589   4.57 0.286 0.765 0.286 1.737     255.907     300.000       6.807    5 
-    500000      100000.00      30.039      -3.980      26.059   5.43 0.143 0.667 0.242 2.601     272.533     300.000       8.480    5 
-    510000      102000.00      31.616     -22.853       8.763   4.42 0.357 0.375 0.273 1.251     286.840     300.000       8.444    5 
-    520000      104000.00      27.299     -31.781      -4.482   6.59 0.071 0.857 0.247 1.734     247.668     300.000       6.975    5 
-    530000      106000.00      36.445     -31.287       5.159   4.85 0.071 0.909 0.397 1.820     330.652     300.000       6.884    5 
-    540000      108000.00      24.368     -40.057     -15.689   5.38 0.143 0.800 0.336 1.006     221.082     300.000       6.621    5 
-    550000      110000.00      30.977     -38.318      -7.341   5.15 0.286 0.692 0.350 2.336     281.037     300.000       6.745    5 
-    560000      112000.00      30.272     -39.358      -9.087   5.38 0.214 0.769 0.339 1.431     274.641     300.000       6.741    5 
-    570000      114000.00      33.587     -25.038       8.548   3.18 0.286 0.556 0.247 3.769     304.714     300.000       6.934    5 
-    580000      116000.00      36.361     -28.057       8.305   4.50 0.071 0.875 0.318 2.493     329.890     300.000       7.852    5 
-    590000      118000.00      34.333     -30.933       3.401   3.97 0.357 0.545 0.252 1.901     311.490     300.000       7.804    5 
-    600000      120000.00      23.833     -28.833      -5.000   5.06 0.071 0.833 0.379 1.355     216.223     300.000       7.282    5 
-    610000      122000.00      31.192     -29.215       1.977   6.05 0.214 0.500 0.326 0.905     282.993     300.000       6.967    5 
-    620000      124000.00      30.924     -31.745      -0.821   5.36 0.143 0.778 0.318 1.400     280.555     300.000       7.799    5 
-    630000      126000.00      35.406     -22.274      13.133   4.62 0.286 0.429 0.182 1.349     321.224     300.000       8.170    5 
-    640000      128000.00      31.652     -29.206       2.446   6.31 0.286 0.692 0.248 1.584     287.165     300.000       7.040    5 
-    650000      130000.00      25.883     -31.254      -5.370   3.55 0.214 0.700 0.359 1.591     234.825     300.000       7.428    5 
-    660000      132000.00      19.647     -38.895     -19.248   3.62 0.286 0.636 0.368 1.369     178.251     300.000       6.605    5 
-    670000      134000.00      28.363     -40.864     -12.501   4.31 0.357 0.688 0.304 0.776     257.324     300.000       6.372    5 
-    680000      136000.00      28.884     -37.548      -8.663   2.88 0.429 0.538 0.318 1.303     262.055     300.000       6.632    5 
-    690000      138000.00      30.465     -40.836     -10.371   3.14 0.286 0.636 0.331 1.174     276.392     300.000       7.114    5 
-    700000      140000.00      24.542     -39.786     -15.244   3.20 0.357 0.667 0.252 2.857     222.656     300.000       6.937    5 
-    710000      142000.00      29.613     -22.818       6.795   3.27 0.429 0.333 0.192 2.295     268.667     300.000       7.949    5 
-    720000      144000.00      30.966     -31.730      -0.764   4.46 0.286 0.692 0.255 1.131     280.938     300.000       7.171    5 
-    730000      146000.00      21.661     -33.300     -11.640   5.20 0.071 0.857 0.221 1.927     196.516     300.000       7.100    5 
-    740000      148000.00      27.409     -15.397      12.012   5.39 0.357 0.500 0.195 2.213     248.669     300.000       7.463    5 
-    750000      150000.00      28.968     -29.590      -0.621   4.45 0.143 0.714 0.266 0.827     262.817     300.000       7.916    5 
-    760000      152000.00      29.287     -37.555      -8.268   4.92 0.214 0.667 0.237 2.099     265.708     300.000       7.609    5 
-    770000      154000.00      22.729     -26.861      -4.131   3.22 0.429 0.538 0.343 3.165     206.214     300.000       6.802    5 
-    780000      156000.00      30.779     -33.368      -2.589   3.44 0.214 0.700 0.277 2.141     279.243     300.000       6.634    5 
-    790000      158000.00      27.448     -28.757      -1.309   3.89 0.071 0.857 0.260 1.353     249.023     300.000       7.035    5 
-    800000      160000.00      36.317     -26.634       9.683   3.56 0.286 0.765 0.361 2.177     329.484     300.000       6.770    5 
-    810000      162000.00      27.196     -37.093      -9.897   3.25 0.429 0.500 0.314 2.512     246.736     300.000       6.837    5 
-    820000      164000.00      30.002     -27.965       2.037   6.24 0.143 0.750 0.210 2.043     272.189     300.000       8.591    5 
-    830000      166000.00      25.080     -27.392      -2.313   3.92 0.357 0.643 0.412 1.148     227.535     300.000       6.668    5 
-    840000      168000.00      23.269     -33.976     -10.707   4.75 0.000 1.000 0.364 2.206     211.106     300.000       7.036    5 
-    850000      170000.00      28.104     -26.763       1.341   4.49 0.143 0.750 0.227 1.492     254.978     300.000       7.454    5 
-    860000      172000.00      32.636     -24.658       7.978   3.90 0.143 0.800 0.391 2.289     296.094     300.000       7.762    5 
-    870000      174000.00      30.502     -14.607      15.895   6.97 0.286 0.333 0.167 1.543     276.731     300.000       8.120    5 
-    880000      176000.00      25.403     -23.643       1.760   7.05 0.214 0.625 0.307 0.793     230.470     300.000       7.154    5 
-    890000      178000.00      27.661     -31.857      -4.196   4.37 0.429 0.500 0.375 1.560     250.955     300.000       6.693    5 
-    900000      180000.00      27.550     -43.768     -16.217   3.43 0.357 0.615 0.339 0.979     249.952     300.000       6.600    5 
-    910000      182000.00      30.668     -15.258      15.409   3.58 0.143 0.750 0.205 2.026     278.232     300.000       7.605    5 
-    920000      184000.00      28.917     -27.684       1.233   3.59 0.071 0.875 0.261 1.672     262.351     300.000       7.462    5 
-    930000      186000.00      24.211     -14.379       9.832   8.38 0.143 0.500 0.159 1.642     219.657     300.000      11.967    5 
-    940000      188000.00      36.857     -26.629      10.227   5.29 0.143 0.750 0.233 1.035     334.383     300.000       7.327    5 
-    950000      190000.00      26.549     -23.587       2.962   4.49 0.214 0.571 0.344 2.272     240.865     300.000       8.328    5 
-    960000      192000.00      31.438     -28.549       2.889   3.29 0.214 0.625 0.278 1.660     285.224     300.000       7.724    5 
-    970000      194000.00      32.954     -19.099      13.856   6.01 0.286 0.667 0.242 2.281     298.976     300.000       8.379    5 
-    980000      196000.00      29.687     -20.711       8.976   3.96 0.071 0.833 0.303 2.686     269.339     300.000       8.327    5 
-    990000      198000.00      28.785     -28.356       0.429   1.95 0.500 0.417 0.254 1.055     261.155     300.000       7.253    5 
-   1000000      200000.00      26.100     -26.584      -0.484   4.74 0.214 0.625 0.278 2.755     236.794     300.000       7.267    5 
+     10000        2000.00      24.738     -19.048       5.690   7.21 0.143 0.500 0.148 1.541     224.438     300.000      10.379    5 
+     20000        4000.00      27.301     -12.669      14.632   6.86 0.071 0.667 0.152 2.819     247.689     300.000      10.373    5 
+     30000        6000.00      35.187     -23.821      11.366   7.97 0.071 0.667 0.136 2.182     319.234     300.000       9.985    5 
+     40000        8000.00      30.628     -27.449       3.179   5.04 0.143 0.800 0.291 1.738     277.873     300.000       7.309    5 
+     50000       10000.00      31.634     -16.184      15.450   4.15 0.214 0.250 0.307 3.151     286.997     300.000       9.042    5 
+     60000       12000.00      28.694     -20.515       8.178   6.12 0.071 0.889 0.273 0.965     260.322     300.000       6.925    5 
+     70000       14000.00      24.663     -35.012     -10.348   3.72 0.143 0.778 0.384 1.462     223.760     300.000       7.108    5 
+     80000       16000.00      30.337     -45.819     -15.482   3.66 0.286 0.636 0.355 1.326     275.233     300.000       6.762    5 
+     90000       18000.00      25.823     -31.702      -5.879   3.35 0.214 0.500 0.273 1.800     234.284     300.000       7.450    5 
+    100000       20000.00      27.252     -27.757      -0.505   4.00 0.214 0.667 0.288 1.155     247.245     300.000       7.276    5 
+    110000       22000.00      33.399     -38.424      -5.025   3.34 0.214 0.700 0.264 1.277     303.013     300.000       6.812    5 
+    120000       24000.00      32.032     -28.886       3.145   4.49 0.214 0.769 0.276 2.580     290.609     300.000       6.567    5 
+    130000       26000.00      35.761     -30.586       5.175   4.49 0.357 0.643 0.292 1.293     324.442     300.000       6.969    5 
+    140000       28000.00      32.615     -34.417      -1.802   5.39 0.143 0.714 0.260 1.879     295.902     300.000       7.659    5 
+    150000       30000.00      32.073     -27.322       4.752   6.64 0.000 1.000 0.209 1.766     290.985     300.000       8.302    5 
+    160000       32000.00      35.372     -32.661       2.710   5.61 0.143 0.778 0.389 3.089     320.909     300.000       6.987    5 
+    170000       34000.00      28.380     -32.460      -4.080   5.25 0.286 0.333 0.265 1.117     257.477     300.000       7.053    5 
+    180000       36000.00      33.765     -18.364      15.401   7.55 0.071 0.857 0.169 2.566     306.333     300.000       9.089    5 
+    190000       38000.00      29.057     -26.860       2.196   7.59 0.143 0.600 0.164 1.157     263.619     300.000       8.720    5 
+    200000       40000.00      32.731     -29.168       3.563   4.19 0.429 0.500 0.284 1.678     296.950     300.000       7.563    5 
+    210000       42000.00      25.323     -28.226      -2.903   7.18 0.143 0.750 0.227 2.370     229.744     300.000       8.954    5 
+    220000       44000.00      31.165     -30.467       0.698   6.44 0.143 0.600 0.155 1.647     282.741     300.000       8.691    5 
+    230000       46000.00      32.461     -23.453       9.008   6.86 0.214 0.667 0.242 2.460     294.504     300.000       7.345    5 
+    240000       48000.00      33.353     -19.096      14.257   4.35 0.357 0.375 0.244 0.985     302.598     300.000       7.570    5 
+    250000       50000.00      34.715     -35.441      -0.726   5.37 0.214 0.750 0.277 2.108     314.949     300.000       7.199    5 
+    260000       52000.00      32.238     -32.781      -0.543   5.11 0.214 0.625 0.278 0.775     292.482     300.000       7.554    5 
+    270000       54000.00      33.951     -31.394       2.557   5.07 0.143 0.857 0.266 1.224     308.021     300.000       7.113    5 
+    280000       56000.00      28.959     -17.400      11.559   4.18 0.214 0.500 0.364 2.319     262.731     300.000       7.512    5 
+    290000       58000.00      29.169     -23.536       5.632   3.81 0.214 0.625 0.330 1.307     264.632     300.000       7.580    5 
+    300000       60000.00      28.976     -31.349      -2.373   3.82 0.071 0.875 0.432 2.622     262.887     300.000       7.038    5 
+    310000       62000.00      31.080     -28.258       2.822   4.14 0.143 0.714 0.214 1.341     281.976     300.000       7.690    5 
+    320000       64000.00      24.665     -46.628     -21.963   2.98 0.357 0.500 0.355 1.106     223.772     300.000       6.897    5 
+    330000       66000.00      35.846     -25.162      10.684   6.34 0.143 0.833 0.254 2.055     325.210     300.000       7.440    5 
+    340000       68000.00      26.531     -28.703      -2.172   4.38 0.357 0.583 0.295 1.895     240.701     300.000       7.333    5 
+    350000       70000.00      28.745     -35.190      -6.445   5.07 0.214 0.700 0.314 1.635     260.791     300.000       7.535    5 
+    360000       72000.00      25.641     -26.226      -0.585   4.64 0.286 0.556 0.172 2.527     232.624     300.000       7.338    5 
+    370000       74000.00      33.150     -37.990      -4.841   5.15 0.286 0.636 0.384 1.741     300.750     300.000       6.912    5 
+    380000       76000.00      26.843     -37.608     -10.765   4.21 0.214 0.727 0.289 1.456     243.531     300.000       7.029    5 
+    390000       78000.00      26.324     -29.987      -3.663   2.38 0.357 0.545 0.331 0.993     238.828     300.000       7.471    5 
+    400000       80000.00      33.115     -28.956       4.159   4.36 0.214 0.667 0.258 1.984     300.434     300.000       7.267    5 
+    410000       82000.00      26.279     -26.913      -0.634   5.55 0.143 0.778 0.258 2.664     238.419     300.000       7.092    5 
+    420000       84000.00      25.339     -21.782       3.557   5.26 0.214 0.571 0.188 0.893     229.888     300.000       8.474    5 
+    430000       86000.00      26.467     -39.728     -13.261   4.69 0.286 0.750 0.335 2.071     240.121     300.000       7.349    5 
+    440000       88000.00      33.296     -33.159       0.137   5.39 0.214 0.769 0.234 1.050     302.079     300.000       6.947    5 
+    450000       90000.00      27.166     -31.726      -4.560   4.43 0.357 0.545 0.252 1.819     246.464     300.000       6.979    5 
+    460000       92000.00      22.441     -26.946      -4.505   4.19 0.143 0.667 0.341 1.783     203.594     300.000       7.083    5 
+    470000       94000.00      24.983     -35.888     -10.905   3.76 0.286 0.714 0.357 0.796     226.660     300.000       6.500    5 
+    480000       96000.00      27.299     -37.518     -10.219   3.36 0.429 0.400 0.255 0.734     247.673     300.000       7.141    5 
+    490000       98000.00      31.326     -30.587       0.739   6.37 0.214 0.667 0.207 2.153     284.204     300.000       7.805    5 
+    500000      100000.00      31.716     -26.920       4.797   2.63 0.500 0.500 0.354 3.307     287.746     300.000       6.322    5 
+    510000      102000.00      29.160     -24.768       4.393   4.12 0.214 0.700 0.255 2.641     264.559     300.000       7.206    5 
+    520000      104000.00      25.553     -38.481     -12.928   2.27 0.429 0.571 0.244 1.106     231.829     300.000       6.948    5 
+    530000      106000.00      29.373     -31.401      -2.028   2.95 0.214 0.625 0.210 2.116     266.483     300.000       7.073    5 
+    540000      108000.00      29.104     -25.544       3.560   3.48 0.286 0.692 0.374 0.971     264.046     300.000       6.810    5 
+    550000      110000.00      24.186     -17.926       6.259   8.41 0.143 0.333 0.152 2.488     219.426     300.000      10.323    5 
+    560000      112000.00      32.612     -28.643       3.969   4.45 0.214 0.700 0.350 1.661     295.872     300.000       7.846    5 
+    570000      114000.00      33.790     -30.315       3.475   5.68 0.357 0.545 0.223 1.282     306.557     300.000       9.006    5 
+    580000      116000.00      34.462     -32.220       2.242   4.69 0.143 0.667 0.273 1.633     312.661     300.000       8.694    5 
+    590000      118000.00      32.271     -23.526       8.744   5.86 0.214 0.571 0.182 3.438     292.777     300.000       9.094    5 
+    600000      120000.00      26.217     -31.147      -4.930   5.45 0.214 0.571 0.247 2.018     237.858     300.000       7.036    5 
+    610000      122000.00      30.378     -27.113       3.265   6.41 0.286 0.429 0.305 0.717     275.603     300.000       7.300    5 
+    620000      124000.00      29.279     -27.738       1.542   6.25 0.286 0.556 0.283 1.731     265.639     300.000       6.815    5 
+    630000      126000.00      38.546     -29.418       9.128   5.25 0.214 0.727 0.256 1.781     349.706     300.000       7.063    5 
+    640000      128000.00      33.776     -32.749       1.027   4.60 0.214 0.750 0.292 1.165     306.434     300.000       7.483    5 
+    650000      130000.00      33.454     -36.435      -2.981   4.67 0.143 0.750 0.307 0.792     303.513     300.000       7.223    5 
+    660000      132000.00      21.825     -34.399     -12.574   4.82 0.429 0.538 0.322 0.909     198.008     300.000       6.936    5 
+    670000      134000.00      27.420     -29.513      -2.093   4.40 0.286 0.500 0.250 1.631     248.767     300.000       7.325    5 
+    680000      136000.00      33.704     -35.544      -1.840   7.21 0.214 0.667 0.187 1.953     305.782     300.000       7.801    5 
+    690000      138000.00      32.553     -24.064       8.489   6.79 0.143 0.714 0.325 1.405     295.334     300.000       7.361    5 
+    700000      140000.00      26.391     -25.386       1.005   7.53 0.214 0.400 0.173 2.044     239.434     300.000      10.719    5 
+    710000      142000.00      30.279     -30.546      -0.267   5.07 0.214 0.700 0.305 1.018     274.705     300.000       7.007    5 
+    720000      144000.00      30.642     -28.231       2.411   2.46 0.500 0.364 0.269 1.951     278.000     300.000       6.874    5 
+    730000      146000.00      18.488     -29.969     -11.481   2.32 0.286 0.556 0.338 1.331     167.732     300.000       6.673    5 
+    740000      148000.00      28.660     -27.756       0.905   2.54 0.214 0.750 0.314 1.696     260.021     300.000       6.750    5 
+    750000      150000.00      31.296     -40.783      -9.487   2.51 0.500 0.533 0.336 2.181     283.932     300.000       6.506    5 
+    760000      152000.00      26.826     -20.169       6.657   7.78 0.286 0.556 0.192 1.273     243.384     300.000      10.417    5 
+    770000      154000.00      26.215     -31.621      -5.406   3.40 0.429 0.250 0.312 2.453     237.838     300.000       7.526    5 
+    780000      156000.00      28.382     -19.869       8.513   4.00 0.286 0.556 0.338 1.899     257.496     300.000       7.026    5 
+    790000      158000.00      26.629     -19.919       6.711   3.26 0.214 0.667 0.268 1.242     241.594     300.000       7.558    5 
+    800000      160000.00      33.681     -30.332       3.349   4.55 0.214 0.667 0.263 2.020     305.570     300.000       6.821    5 
+    810000      162000.00      25.958     -21.042       4.916  10.21 0.143 0.667 0.159 1.184     235.503     300.000      13.028    5 
+    820000      164000.00      30.106     -29.480       0.626   5.97 0.286 0.500 0.216 1.605     273.137     300.000       7.244    5 
+    830000      166000.00      28.223     -26.698       1.525   4.18 0.429 0.333 0.424 1.154     256.050     300.000       7.190    5 
+    840000      168000.00      22.991     -40.825     -17.835   3.87 0.286 0.692 0.406 1.734     208.585     300.000       6.766    5 
+    850000      170000.00      24.685     -43.336     -18.651   4.41 0.286 0.636 0.236 2.535     223.954     300.000       7.074    5 
+    860000      172000.00      39.097     -40.056      -0.959   6.25 0.214 0.727 0.240 0.809     354.708     300.000       6.931    5 
+    870000      174000.00      27.559     -37.909     -10.350   5.70 0.143 0.778 0.268 0.963     250.027     300.000       6.940    5 
+    880000      176000.00      23.578     -26.366      -2.789   3.94 0.143 0.778 0.359 1.747     213.910     300.000       7.544    5 
+    890000      178000.00      27.528     -34.985      -7.457   5.19 0.286 0.692 0.266 2.476     249.744     300.000       6.839    5 
+    900000      180000.00      28.903     -34.808      -5.905   4.25 0.357 0.667 0.252 1.296     262.222     300.000       7.427    5 
+    910000      182000.00      35.221     -20.692      14.530   4.02 0.214 0.571 0.208 2.446     319.547     300.000       7.303    5 
+    920000      184000.00      27.483     -24.244       3.239   4.50 0.071 0.857 0.221 1.302     249.337     300.000       8.507    5 
+    930000      186000.00      29.558     -24.349       5.209   5.20 0.214 0.625 0.261 1.579     268.164     300.000       7.636    5 
+    940000      188000.00      35.527     -21.165      14.363   6.76 0.071 0.929 0.399 2.383     322.322     300.000       6.630    5 
+    950000      190000.00      30.584     -26.033       4.551   5.24 0.071 0.800 0.255 0.816     277.470     300.000       9.036    5 
+    960000      192000.00      31.578     -29.025       2.553   3.65 0.286 0.667 0.360 1.295     286.490     300.000       6.635    5 
+    970000      194000.00      33.111     -34.598      -1.487   3.01 0.143 0.818 0.306 2.468     300.403     300.000       7.236    5 
+    980000      196000.00      26.996     -24.886       2.110   3.06 0.214 0.700 0.382 1.357     244.918     300.000       7.173    5 
+    990000      198000.00      34.025     -18.667      15.358   4.82 0.143 0.500 0.193 1.340     308.692     300.000       8.489    5 
+   1000000      200000.00      26.870     -38.885     -12.015   4.72 0.286 0.692 0.329 1.084     243.776     300.000       6.602    5 
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB006.stat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB006.stat
index 8328215..b333fdc 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB006.stat
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB006.stat
@@ -1,101 +1,101 @@
          0           0.00      35.031     662.810     697.840   0.00 1.000 0.000 0.308 8.660     317.817     300.000       7.001    6 
-     10000        2000.00      25.714     -38.732     -13.018   4.35 0.286 0.556 0.343 2.942     233.291     300.000       7.502    6 
-     20000        4000.00      32.087     -30.695       1.392   4.06 0.357 0.615 0.308 1.484     291.114     300.000       7.314    6 
-     30000        6000.00      24.547     -23.585       0.962   6.02 0.286 0.429 0.182 1.941     222.702     300.000       9.819    6 
-     40000        8000.00      28.715     -18.150      10.565   6.16 0.143 0.500 0.182 1.281     260.515     300.000       9.846    6 
-     50000       10000.00      20.221     -20.210       0.011   3.77 0.214 0.625 0.278 1.000     183.451     300.000       7.163    6 
-     60000       12000.00      34.464     -33.852       0.612   4.20 0.214 0.625 0.278 1.485     312.678     300.000       6.959    6 
-     70000       14000.00      28.797     -24.594       4.203   4.38 0.286 0.556 0.202 1.984     261.261     300.000       7.805    6 
-     80000       16000.00      31.995     -20.059      11.936   4.24 0.071 0.833 0.402 1.517     290.274     300.000       7.863    6 
-     90000       18000.00      32.201     -36.723      -4.523   3.86 0.214 0.786 0.299 2.490     292.141     300.000       6.993    6 
-    100000       20000.00      27.335     -26.774       0.560   5.36 0.214 0.667 0.333 1.717     247.994     300.000       6.994    6 
-    110000       22000.00      30.843     -25.079       5.763   4.94 0.214 0.500 0.417 3.047     279.820     300.000       7.215    6 
-    120000       24000.00      28.984     -23.541       5.443   5.35 0.357 0.667 0.482 1.666     262.959     300.000       6.599    6 
-    130000       26000.00      24.197     -18.634       5.564   4.99 0.143 0.714 0.208 2.225     219.531     300.000       7.310    6 
-    140000       28000.00      30.392     -29.647       0.745   3.75 0.143 0.750 0.205 2.095     275.731     300.000       7.328    6 
-    150000       30000.00      25.113     -30.969      -5.856   3.14 0.214 0.571 0.188 2.869     227.842     300.000       7.194    6 
-    160000       32000.00      27.491     -28.027      -0.536   6.36 0.143 0.667 0.205 2.179     249.411     300.000       8.205    6 
-    170000       34000.00      28.285     -46.341     -18.056   3.48 0.143 0.846 0.315 1.389     256.621     300.000       6.880    6 
-    180000       36000.00      25.123     -35.462     -10.338   3.86 0.357 0.583 0.314 1.881     227.932     300.000       6.777    6 
-    190000       38000.00      24.604     -35.890     -11.286   2.92 0.286 0.500 0.330 1.687     223.224     300.000       7.543    6 
-    200000       40000.00      32.572     -39.334      -6.761   2.79 0.357 0.444 0.293 1.210     295.512     300.000       7.654    6 
-    210000       42000.00      32.581     -31.173       1.408   4.42 0.286 0.556 0.288 1.729     295.593     300.000       8.610    6 
-    220000       44000.00      32.370     -25.172       7.198   3.51 0.214 0.750 0.364 2.853     293.675     300.000       7.030    6 
-    230000       46000.00      28.008     -37.926      -9.918   4.40 0.286 0.789 0.380 1.277     254.102     300.000       6.571    6 
-    240000       48000.00      30.832     -28.811       2.022   5.44 0.214 0.727 0.227 2.871     279.725     300.000       7.575    6 
-    250000       50000.00      30.817     -30.281       0.537   4.34 0.214 0.625 0.347 2.669     279.591     300.000       7.395    6 
-    260000       52000.00      27.499     -32.815      -5.316   4.58 0.071 0.800 0.255 1.886     249.485     300.000       7.898    6 
-    270000       54000.00      30.412     -35.211      -4.800   4.25 0.286 0.500 0.347 1.567     275.910     300.000       7.484    6 
-    280000       56000.00      26.348     -31.370      -5.022   3.66 0.286 0.667 0.470 1.498     239.043     300.000       7.805    6 
-    290000       58000.00      33.447     -23.797       9.650   4.37 0.143 0.750 0.295 1.119     303.448     300.000       7.640    6 
-    300000       60000.00      25.316     -23.880       1.437   4.33 0.214 0.500 0.318 1.010     229.684     300.000       8.293    6 
-    310000       62000.00      28.838     -29.482      -0.644   5.38 0.143 0.750 0.256 1.972     261.632     300.000       6.733    6 
-    320000       64000.00      29.114     -36.527      -7.413   2.28 0.571 0.467 0.321 1.592     264.142     300.000       6.936    6 
-    330000       66000.00      25.990     -33.322      -7.332   2.97 0.429 0.500 0.208 1.936     235.795     300.000       7.419    6 
-    340000       68000.00      32.423     -25.820       6.603   4.18 0.286 0.714 0.302 2.307     294.155     300.000       7.655    6 
-    350000       70000.00      34.770     -25.625       9.145   4.76 0.214 0.750 0.348 2.046     315.454     300.000       7.155    6 
-    360000       72000.00      29.528     -27.025       2.503   5.91 0.286 0.556 0.242 0.865     267.898     300.000       7.205    6 
-    370000       74000.00      30.215     -30.603      -0.388   4.98 0.143 0.778 0.328 1.386     274.127     300.000       7.368    6 
-    380000       76000.00      30.294     -22.825       7.469   4.84 0.286 0.556 0.278 1.926     274.843     300.000       7.961    6 
-    390000       78000.00      28.354     -18.476       9.878   4.55 0.214 0.500 0.394 1.611     257.241     300.000       8.175    6 
-    400000       80000.00      29.737     -41.003     -11.266   3.24 0.357 0.615 0.311 1.989     269.791     300.000       6.708    6 
-    410000       82000.00      24.625     -40.371     -15.745   4.10 0.286 0.714 0.334 1.139     223.415     300.000       6.653    6 
-    420000       84000.00      24.902     -23.508       1.395   5.52 0.071 0.889 0.409 2.855     225.925     300.000       7.841    6 
-    430000       86000.00      29.483     -31.242      -1.759   4.45 0.071 0.833 0.265 3.746     267.484     300.000       7.409    6 
-    440000       88000.00      26.979     -28.903      -1.924   7.87 0.071 0.800 0.264 2.010     244.768     300.000      10.641    6 
-    450000       90000.00      28.274     -24.772       3.502   4.27 0.357 0.500 0.200 1.957     256.518     300.000       8.180    6 
-    460000       92000.00      29.020     -24.162       4.858   4.01 0.214 0.500 0.303 1.542     263.284     300.000       7.714    6 
-    470000       94000.00      31.490     -21.751       9.739   3.72 0.143 0.714 0.234 2.339     285.692     300.000       7.450    6 
-    480000       96000.00      31.756     -20.701      11.055   6.82 0.143 0.800 0.264 2.550     288.109     300.000       8.806    6 
-    490000       98000.00      29.133     -23.726       5.407   4.89 0.286 0.556 0.232 1.640     264.307     300.000       7.163    6 
-    500000      100000.00      35.842     -23.243      12.598   3.71 0.286 0.556 0.313 2.762     325.173     300.000       7.596    6 
-    510000      102000.00      29.129     -30.138      -1.009   5.31 0.214 0.727 0.298 3.235     264.275     300.000       7.258    6 
-    520000      104000.00      29.317     -31.262      -1.945   4.44 0.143 0.857 0.351 1.832     265.983     300.000       6.715    6 
-    530000      106000.00      30.093     -33.055      -2.962   4.47 0.143 0.857 0.370 1.651     273.022     300.000       6.597    6 
-    540000      108000.00      32.363     -31.281       1.082   5.24 0.286 0.636 0.376 2.191     293.611     300.000       7.027    6 
-    550000      110000.00      34.226     -29.850       4.375   4.47 0.071 0.889 0.268 1.338     310.512     300.000       6.988    6 
-    560000      112000.00      33.869     -28.873       4.996   5.19 0.143 0.800 0.350 1.735     307.276     300.000       7.143    6 
-    570000      114000.00      35.728     -33.088       2.639   4.75 0.214 0.769 0.318 3.067     324.140     300.000       6.352    6 
-    580000      116000.00      33.508     -35.244      -1.735   4.24 0.143 0.800 0.286 2.026     304.005     300.000       6.881    6 
-    590000      118000.00      30.400     -29.969       0.432   3.23 0.286 0.636 0.326 1.614     275.808     300.000       6.513    6 
-    600000      120000.00      37.209     -30.715       6.495   2.83 0.357 0.500 0.305 3.057     337.582     300.000       7.159    6 
-    610000      122000.00      34.559     -37.671      -3.112   2.78 0.357 0.615 0.301 3.242     313.538     300.000       6.731    6 
-    620000      124000.00      29.542      -8.917      20.625   5.43 0.286 0.500 0.153 3.103     268.022     300.000       9.509    6 
-    630000      126000.00      24.140     -32.116      -7.975   3.40 0.357 0.583 0.265 3.054     219.015     300.000       6.763    6 
-    640000      128000.00      25.409     -35.610     -10.201   2.65 0.286 0.692 0.395 1.062     230.526     300.000       6.740    6 
-    650000      130000.00      33.260     -21.991      11.268   3.57 0.143 0.500 0.295 1.547     301.749     300.000       7.071    6 
-    660000      132000.00      40.424     -25.776      14.648   3.32 0.429 0.500 0.375 1.226     366.746     300.000       6.870    6 
-    670000      134000.00      25.827     -31.673      -5.846   4.30 0.286 0.556 0.207 1.873     234.317     300.000       7.300    6 
-    680000      136000.00      25.763     -36.786     -11.023   5.67 0.429 0.684 0.356 1.615     233.735     300.000       6.489    6 
-    690000      138000.00      42.607     -31.395      11.212   2.82 0.357 0.583 0.231 2.364     386.549     300.000       7.208    6 
-    700000      140000.00      26.910     -29.939      -3.029   3.23 0.429 0.600 0.215 1.416     244.140     300.000       7.402    6 
-    710000      142000.00      25.691     -34.455      -8.763   6.35 0.214 0.727 0.339 1.806     233.085     300.000       6.883    6 
-    720000      144000.00      28.264     -17.679      10.585   7.29 0.000 1.000 0.205 1.671     256.429     300.000       9.060    6 
-    730000      146000.00      25.253     -29.020      -3.768   4.63 0.286 0.692 0.350 1.287     229.105     300.000       7.609    6 
-    740000      148000.00      24.533     -18.113       6.420   6.98 0.214 0.571 0.188 1.215     222.572     300.000       9.930    6 
-    750000      150000.00      29.320     -28.944       0.376   4.91 0.143 0.667 0.152 0.887     266.005     300.000       8.061    6 
-    760000      152000.00      28.779     -33.434      -4.655   4.33 0.143 0.867 0.406 2.695     261.098     300.000       6.886    6 
-    770000      154000.00      30.779     -30.166       0.613   4.17 0.214 0.700 0.250 2.053     279.246     300.000       7.028    6 
-    780000      156000.00      30.812     -21.353       9.459   4.73 0.214 0.625 0.244 1.031     279.543     300.000       7.689    6 
-    790000      158000.00      30.127     -25.097       5.030   3.83 0.000 1.000 0.394 1.127     273.330     300.000       8.513    6 
-    800000      160000.00      29.057     -38.606      -9.549   6.23 0.214 0.824 0.313 1.802     263.622     300.000       6.469    6 
-    810000      162000.00      27.465     -42.104     -14.639   5.29 0.357 0.545 0.252 0.821     249.175     300.000       6.940    6 
-    820000      164000.00      23.889     -44.466     -20.577   3.98 0.286 0.600 0.273 1.254     216.731     300.000       7.293    6 
-    830000      166000.00      32.135     -20.392      11.744   5.41 0.214 0.250 0.136 1.372     291.548     300.000       8.114    6 
-    840000      168000.00      29.995     -20.495       9.500   4.38 0.214 0.667 0.258 3.365     272.128     300.000       8.752    6 
-    850000      170000.00      26.955     -34.553      -7.598   3.63 0.286 0.636 0.339 1.109     244.547     300.000       6.924    6 
-    860000      172000.00      31.016     -32.933      -1.917   3.87 0.286 0.500 0.188 1.574     281.396     300.000       7.039    6 
-    870000      174000.00      33.740     -36.697      -2.957   3.93 0.357 0.583 0.337 1.815     306.106     300.000       6.601    6 
-    880000      176000.00      29.702     -34.296      -4.594   3.39 0.429 0.500 0.242 0.695     269.473     300.000       6.775    6 
-    890000      178000.00      30.280     -48.410     -18.130   3.79 0.357 0.643 0.357 1.259     274.716     300.000       6.493    6 
-    900000      180000.00      31.590     -29.788       1.802   7.04 0.286 0.733 0.248 1.535     286.601     300.000       7.010    6 
-    910000      182000.00      36.469     -41.844      -5.375   3.82 0.214 0.571 0.338 1.285     330.866     300.000       6.730    6 
-    920000      184000.00      30.164     -19.348      10.816   2.86 0.214 0.727 0.260 1.229     273.660     300.000       6.815    6 
-    930000      186000.00      25.572     -35.222      -9.650   3.85 0.286 0.667 0.337 1.248     232.005     300.000       6.693    6 
-    940000      188000.00      30.303     -44.499     -14.196   4.11 0.143 0.714 0.286 1.249     274.929     300.000       7.505    6 
-    950000      190000.00      30.801     -30.389       0.412   4.30 0.143 0.778 0.253 1.186     279.447     300.000       7.061    6 
-    960000      192000.00      30.390     -40.771     -10.381   3.45 0.286 0.667 0.341 1.096     275.710     300.000       6.717    6 
-    970000      194000.00      37.096     -34.685       2.411   2.69 0.143 0.833 0.303 1.200     336.557     300.000       7.352    6 
-    980000      196000.00      31.280     -33.716      -2.436   5.52 0.071 0.833 0.265 1.580     283.790     300.000       8.375    6 
-    990000      198000.00      29.602     -27.441       2.161   4.87 0.143 0.714 0.331 1.206     268.566     300.000       7.609    6 
-   1000000      200000.00      33.105     -29.006       4.100   5.83 0.214 0.667 0.247 1.033     300.349     300.000       6.975    6 
+     10000        2000.00      27.423     -26.168       1.255   5.56 0.214 0.500 0.144 1.994     248.793     300.000       7.509    6 
+     20000        4000.00      29.123     -26.416       2.708   6.21 0.214 0.625 0.188 1.063     264.221     300.000       9.052    6 
+     30000        6000.00      21.540     -21.362       0.178   4.38 0.143 0.778 0.212 0.888     195.422     300.000       7.899    6 
+     40000        8000.00      28.459     -30.655      -2.196   4.49 0.214 0.667 0.268 1.616     258.197     300.000       7.483    6 
+     50000       10000.00      22.302     -28.130      -5.828   3.56 0.214 0.500 0.273 1.123     202.333     300.000       7.718    6 
+     60000       12000.00      35.710     -37.171      -1.461   5.03 0.286 0.714 0.292 1.121     323.976     300.000       6.811    6 
+     70000       14000.00      28.171     -35.482      -7.311   5.13 0.143 0.750 0.341 2.273     255.585     300.000       6.747    6 
+     80000       16000.00      36.172     -34.316       1.856   3.37 0.071 0.875 0.375 2.448     328.169     300.000       6.780    6 
+     90000       18000.00      31.374     -38.570      -7.195   3.16 0.143 0.750 0.301 1.297     284.644     300.000       7.295    6 
+    100000       20000.00      28.618     -39.510     -10.892   3.56 0.286 0.733 0.476 1.731     259.637     300.000       6.588    6 
+    110000       22000.00      28.168     -23.341       4.826   4.25 0.143 0.800 0.277 1.966     255.550     300.000       7.196    6 
+    120000       24000.00      28.181     -37.894      -9.714   4.67 0.357 0.500 0.245 1.010     255.668     300.000       7.170    6 
+    130000       26000.00      28.890     -30.293      -1.404   4.09 0.214 0.700 0.345 1.360     262.101     300.000       7.441    6 
+    140000       28000.00      30.462     -20.875       9.587   6.52 0.000 1.000 0.357 1.965     276.370     300.000       7.441    6 
+    150000       30000.00      24.843     -30.742      -5.899   5.70 0.143 0.750 0.460 1.317     225.392     300.000       7.084    6 
+    160000       32000.00      30.754     -16.136      14.618   3.83 0.143 0.600 0.318 1.518     279.015     300.000       8.259    6 
+    170000       34000.00      29.201     -42.039     -12.838   2.29 0.214 0.625 0.227 1.254     264.929     300.000       7.141    6 
+    180000       36000.00      21.881     -30.106      -8.225   4.50 0.286 0.636 0.413 2.069     198.512     300.000       6.690    6 
+    190000       38000.00      26.535     -40.453     -13.919   2.29 0.286 0.636 0.355 2.600     240.736     300.000       6.382    6 
+    200000       40000.00      32.061     -30.751       1.310   4.02 0.143 0.778 0.207 2.265     290.874     300.000       8.062    6 
+    210000       42000.00      28.245     -34.897      -6.653   3.22 0.429 0.538 0.304 1.596     256.251     300.000       6.863    6 
+    220000       44000.00      31.904     -16.236      15.669   4.63 0.143 0.714 0.286 2.340     289.453     300.000       7.992    6 
+    230000       46000.00      30.681     -30.879      -0.198   5.27 0.214 0.667 0.217 1.184     278.357     300.000       8.210    6 
+    240000       48000.00      33.240     -29.026       4.214   4.14 0.429 0.500 0.193 2.369     301.573     300.000       8.498    6 
+    250000       50000.00      31.850     -22.530       9.320   7.33 0.286 0.429 0.169 2.393     288.963     300.000      10.286    6 
+    260000       52000.00      29.596     -29.609      -0.013   7.29 0.429 0.571 0.250 2.550     268.511     300.000       6.943    6 
+    270000       54000.00      33.321     -29.533       3.788   5.95 0.214 0.667 0.202 1.436     302.307     300.000       8.487    6 
+    280000       56000.00      30.619     -32.369      -1.750   5.57 0.357 0.500 0.214 0.685     277.792     300.000       8.015    6 
+    290000       58000.00      32.670     -20.313      12.357   5.29 0.214 0.700 0.259 1.842     296.402     300.000       7.030    6 
+    300000       60000.00      25.785     -34.594      -8.809   3.81 0.214 0.500 0.174 1.316     233.936     300.000       7.486    6 
+    310000       62000.00      26.911     -38.248     -11.336   5.48 0.286 0.636 0.335 1.035     244.153     300.000       6.882    6 
+    320000       64000.00      27.671     -19.715       7.955   4.59 0.143 0.800 0.318 1.939     251.042     300.000       8.378    6 
+    330000       66000.00      26.457     -25.899       0.557   4.14 0.143 0.500 0.170 1.822     240.027     300.000       8.482    6 
+    340000       68000.00      32.738     -28.857       3.881   6.40 0.143 0.778 0.384 1.903     297.015     300.000       7.237    6 
+    350000       70000.00      40.253     -32.265       7.988   4.70 0.286 0.429 0.357 1.289     365.199     300.000       7.411    6 
+    360000       72000.00      29.570     -41.700     -12.130   6.18 0.286 0.750 0.315 1.541     268.271     300.000       6.593    6 
+    370000       74000.00      31.277     -24.992       6.284   5.06 0.214 0.700 0.305 2.400     283.757     300.000       7.137    6 
+    380000       76000.00      28.653     -28.891      -0.238   2.05 0.571 0.273 0.306 2.207     259.957     300.000       7.256    6 
+    390000       78000.00      22.739     -23.796      -1.057   3.50 0.286 0.636 0.310 1.495     206.304     300.000       6.883    6 
+    400000       80000.00      29.889     -34.367      -4.479   5.22 0.286 0.714 0.312 1.000     271.164     300.000       6.680    6 
+    410000       82000.00      28.022     -35.560      -7.538   3.71 0.214 0.667 0.364 1.508     254.226     300.000       6.926    6 
+    420000       84000.00      26.339     -43.509     -17.169   1.94 0.286 0.636 0.376 1.371     238.963     300.000       6.558    6 
+    430000       86000.00      25.507     -24.418       1.089   4.37 0.000 1.000 0.209 1.167     231.417     300.000       7.276    6 
+    440000       88000.00      27.470     -41.603     -14.133   4.52 0.143 0.778 0.263 1.637     249.221     300.000       6.955    6 
+    450000       90000.00      25.722     -26.823      -1.100   4.07 0.286 0.667 0.390 1.894     233.368     300.000       7.160    6 
+    460000       92000.00      28.537     -30.603      -2.066   4.44 0.214 0.727 0.376 0.914     258.902     300.000       7.620    6 
+    470000       94000.00      27.280     -25.699       1.580   5.34 0.143 0.778 0.303 1.806     247.494     300.000       7.030    6 
+    480000       96000.00      28.873     -27.062       1.811   5.25 0.286 0.556 0.192 0.785     261.949     300.000       8.892    6 
+    490000       98000.00      28.115     -34.248      -6.133   4.26 0.214 0.727 0.236 2.351     255.075     300.000       6.822    6 
+    500000      100000.00      37.961     -14.148      23.813   4.29 0.214 0.625 0.182 2.177     344.406     300.000       7.830    6 
+    510000      102000.00      30.379     -24.447       5.933   5.24 0.071 0.833 0.250 1.452     275.617     300.000       8.999    6 
+    520000      104000.00      25.928     -29.688      -3.760   5.41 0.214 0.700 0.273 2.716     235.234     300.000       7.047    6 
+    530000      106000.00      32.389     -32.426      -0.036   6.41 0.143 0.667 0.220 1.094     293.854     300.000       7.158    6 
+    540000      108000.00      32.860     -31.656       1.204   5.58 0.214 0.250 0.193 1.654     298.123     300.000       8.129    6 
+    550000      110000.00      32.615     -32.392       0.224   4.67 0.214 0.727 0.331 2.422     295.902     300.000       6.698    6 
+    560000      112000.00      30.438     -24.592       5.846   3.21 0.143 0.667 0.273 2.143     276.153     300.000       7.341    6 
+    570000      114000.00      39.855     -29.939       9.916   3.72 0.286 0.429 0.305 2.596     361.582     300.000       7.382    6 
+    580000      116000.00      31.421     -30.739       0.681   5.57 0.071 0.909 0.335 1.124     285.065     300.000       7.371    6 
+    590000      118000.00      35.223     -36.015      -0.793   4.40 0.357 0.643 0.393 1.454     319.558     300.000       6.967    6 
+    600000      120000.00      33.989     -24.178       9.810   4.08 0.071 0.857 0.390 2.824     308.361     300.000       7.319    6 
+    610000      122000.00      37.093     -35.262       1.831   4.09 0.429 0.538 0.241 1.377     336.523     300.000       7.387    6 
+    620000      124000.00      29.004     -39.521     -10.518   2.99 0.500 0.500 0.302 2.825     263.137     300.000       6.646    6 
+    630000      126000.00      31.253     -39.446      -8.193   2.84 0.286 0.692 0.339 0.966     283.543     300.000       6.681    6 
+    640000      128000.00      24.840     -41.307     -16.467   3.27 0.357 0.545 0.182 1.864     225.362     300.000       7.413    6 
+    650000      130000.00      29.928     -25.092       4.836   3.22 0.214 0.500 0.174 3.563     271.522     300.000       7.348    6 
+    660000      132000.00      44.842     -36.821       8.020   2.51 0.357 0.500 0.318 1.407     406.825     300.000       7.343    6 
+    670000      134000.00      25.062     -31.827      -6.766   3.69 0.214 0.625 0.449 2.007     227.373     300.000       6.893    6 
+    680000      136000.00      22.083     -38.885     -16.802   2.07 0.357 0.545 0.310 1.615     200.345     300.000       6.775    6 
+    690000      138000.00      36.640     -22.051      14.588   4.10 0.143 0.800 0.395 2.403     332.413     300.000       6.460    6 
+    700000      140000.00      27.905     -29.602      -1.696   3.87 0.429 0.538 0.420 1.784     253.172     300.000       7.045    6 
+    710000      142000.00      21.272     -41.565     -20.294   3.08 0.286 0.600 0.327 1.597     192.988     300.000       6.932    6 
+    720000      144000.00      22.735     -37.784     -15.049   1.96 0.429 0.333 0.308 1.433     206.266     300.000       6.844    6 
+    730000      146000.00      29.087     -32.436      -3.349   3.30 0.429 0.538 0.273 2.700     263.893     300.000       7.291    6 
+    740000      148000.00      26.554     -33.592      -7.038   3.69 0.429 0.714 0.463 1.415     240.908     300.000       6.503    6 
+    750000      150000.00      28.163     -34.255      -6.092   2.93 0.286 0.692 0.357 1.680     255.509     300.000       7.145    6 
+    760000      152000.00      27.463     -18.728       8.735   4.85 0.143 0.750 0.244 3.198     249.157     300.000       7.624    6 
+    770000      154000.00      28.889     -39.973     -11.085   2.39 0.357 0.615 0.381 0.969     262.094     300.000       6.391    6 
+    780000      156000.00      30.397     -32.625      -2.227   3.17 0.143 0.800 0.318 1.522     275.781     300.000       6.577    6 
+    790000      158000.00      31.276     -31.688      -0.412   6.55 0.357 0.545 0.174 1.959     283.755     300.000       8.162    6 
+    800000      160000.00      27.584     -21.696       5.888   6.66 0.286 0.429 0.188 3.575     250.254     300.000       9.840    6 
+    810000      162000.00      22.150     -30.977      -8.826   3.43 0.214 0.625 0.386 1.309     200.958     300.000       7.344    6 
+    820000      164000.00      25.313     -38.044     -12.731   3.57 0.286 0.667 0.265 1.724     229.651     300.000       6.527    6 
+    830000      166000.00      35.018     -31.868       3.151   3.66 0.286 0.556 0.338 1.280     317.702     300.000       7.489    6 
+    840000      168000.00      30.435     -27.309       3.125   6.16 0.143 0.714 0.208 2.295     276.120     300.000       7.046    6 
+    850000      170000.00      29.096     -32.147      -3.050   6.38 0.214 0.800 0.270 1.038     263.978     300.000       6.621    6 
+    860000      172000.00      30.724     -32.893      -2.168   5.59 0.214 0.727 0.364 1.804     278.748     300.000       6.614    6 
+    870000      174000.00      31.288     -31.431      -0.143   4.58 0.143 0.778 0.268 1.424     283.862     300.000       7.138    6 
+    880000      176000.00      29.730     -41.285     -11.555   4.26 0.429 0.400 0.309 1.948     269.727     300.000       7.401    6 
+    890000      178000.00      30.199     -27.927       2.271   5.03 0.214 0.625 0.227 1.233     273.979     300.000       7.612    6 
+    900000      180000.00      34.090     -35.500      -1.411   2.70 0.286 0.714 0.331 3.193     309.278     300.000       7.209    6 
+    910000      182000.00      37.721     -37.639       0.082   3.07 0.214 0.727 0.310 2.798     342.224     300.000       7.165    6 
+    920000      184000.00      28.969     -18.801      10.168   3.39 0.071 0.875 0.415 2.378     262.818     300.000       7.830    6 
+    930000      186000.00      27.035     -31.796      -4.760   1.88 0.714 0.444 0.346 1.317     245.278     300.000       6.765    6 
+    940000      188000.00      29.504     -28.570       0.934   4.87 0.143 0.833 0.326 2.740     267.673     300.000       6.663    6 
+    950000      190000.00      39.072     -44.021      -4.949   3.51 0.214 0.750 0.311 2.945     354.480     300.000       6.625    6 
+    960000      192000.00      30.545     -26.360       4.185   3.04 0.143 0.818 0.289 1.116     277.117     300.000       6.836    6 
+    970000      194000.00      36.074     -31.248       4.826   2.55 0.429 0.600 0.291 1.078     327.284     300.000       6.508    6 
+    980000      196000.00      25.510     -23.940       1.570   4.24 0.143 0.800 0.295 2.656     231.441     300.000       6.667    6 
+    990000      198000.00      28.350     -38.527     -10.177   2.11 0.500 0.364 0.207 1.551     257.207     300.000       6.858    6 
+   1000000      200000.00      33.580     -40.714      -7.134   2.56 0.357 0.545 0.322 1.379     304.655     300.000       6.501    6 
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB007.stat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB007.stat
index f89160d..03d3bce 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB007.stat
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB007.stat
@@ -1,101 +1,101 @@
          0           0.00      36.440     662.810     699.250   0.00 1.000 0.000 0.308 8.660     330.602     300.000       7.001    7 
-     10000        2000.00      37.053     -37.324      -0.271   6.48 0.286 0.667 0.193 1.278     336.162     300.000       7.971    7 
-     20000        4000.00      29.663     -27.100       2.563   4.72 0.071 0.500 0.136 1.787     269.120     300.000       8.151    7 
-     30000        6000.00      25.211     -24.762       0.449   5.26 0.286 0.429 0.221 2.118     228.727     300.000       7.314    7 
-     40000        8000.00      30.143     -32.976      -2.833   4.18 0.286 0.500 0.227 1.414     273.474     300.000       7.567    7 
-     50000       10000.00      22.333     -35.338     -13.005   5.39 0.429 0.600 0.297 1.941     202.620     300.000       6.798    7 
-     60000       12000.00      30.534     -29.283       1.251   4.53 0.429 0.250 0.295 1.923     277.025     300.000       7.441    7 
-     70000       14000.00      27.589     -38.711     -11.122   6.07 0.143 0.667 0.326 1.115     250.303     300.000       7.121    7 
-     80000       16000.00      31.245     -23.807       7.438   3.16 0.286 0.636 0.252 0.868     283.472     300.000       7.350    7 
-     90000       18000.00      30.623     -29.019       1.604   4.98 0.143 0.778 0.278 1.085     277.829     300.000       7.139    7 
-    100000       20000.00      27.531     -24.411       3.120   5.17 0.214 0.727 0.244 2.122     249.771     300.000       7.020    7 
-    110000       22000.00      30.647     -38.253      -7.606   3.92 0.143 0.778 0.369 1.033     278.049     300.000       6.652    7 
-    120000       24000.00      30.460     -39.821      -9.361   2.82 0.500 0.533 0.248 1.665     276.353     300.000       6.699    7 
-    130000       26000.00      31.084     -34.543      -3.459   3.29 0.286 0.667 0.348 1.268     282.009     300.000       6.950    7 
-    140000       28000.00      35.022     -31.530       3.492  10.78 0.286 0.429 0.169 0.858     317.741     300.000      13.016    7 
-    150000       30000.00      24.593     -24.465       0.128   5.90 0.286 0.500 0.244 1.008     223.118     300.000       7.275    7 
-    160000       32000.00      22.097     -30.902      -8.806   5.28 0.071 0.833 0.197 1.433     200.472     300.000       8.037    7 
-    170000       34000.00      18.657     -33.352     -14.695   4.90 0.143 0.750 0.312 2.021     169.270     300.000       7.270    7 
-    180000       36000.00      32.547     -37.583      -5.036   4.82 0.143 0.833 0.280 1.800     295.287     300.000       6.877    7 
-    190000       38000.00      24.957     -21.825       3.132   5.26 0.214 0.625 0.227 1.159     226.419     300.000       7.347    7 
-    200000       40000.00      31.814     -33.899      -2.085   2.30 0.357 0.615 0.266 1.393     288.633     300.000       6.809    7 
-    210000       42000.00      30.936     -23.182       7.754   9.14 0.000 1.000 0.152 3.072     280.663     300.000      12.061    7 
-    220000       44000.00      24.291     -23.171       1.120   4.22 0.071 0.750 0.193 1.247     220.378     300.000       8.115    7 
-    230000       46000.00      33.359     -26.114       7.245   5.88 0.143 0.750 0.210 1.763     302.651     300.000       7.719    7 
-    240000       48000.00      29.180     -21.471       7.709   4.90 0.071 0.667 0.182 1.766     264.737     300.000       8.639    7 
-    250000       50000.00      38.725     -31.552       7.173   4.83 0.286 0.667 0.189 2.392     351.330     300.000       8.617    7 
-    260000       52000.00      36.844     -27.274       9.570   3.36 0.214 0.700 0.273 1.715     334.270     300.000       6.532    7 
-    270000       54000.00      32.261     -35.760      -3.499   3.65 0.214 0.750 0.311 2.980     292.687     300.000       7.538    7 
-    280000       56000.00      25.901     -28.526      -2.625   4.57 0.357 0.583 0.337 1.231     234.987     300.000       7.341    7 
-    290000       58000.00      43.700     -26.058      17.642   6.27 0.286 0.714 0.269 2.089     396.473     300.000       7.319    7 
-    300000       60000.00      28.386     -28.735      -0.349   5.25 0.143 0.667 0.295 1.763     257.529     300.000       6.970    7 
-    310000       62000.00      27.844     -24.579       3.265   5.26 0.214 0.769 0.346 1.413     252.612     300.000       6.836    7 
-    320000       64000.00      28.517     -27.566       0.951   5.23 0.143 0.750 0.182 1.114     258.721     300.000       8.442    7 
-    330000       66000.00      31.111     -34.992      -3.881   4.16 0.143 0.867 0.397 1.284     282.257     300.000       7.082    7 
-    340000       68000.00      32.146     -20.501      11.645   6.91 0.143 0.818 0.190 1.789     291.646     300.000       8.135    7 
-    350000       70000.00      26.504     -35.778      -9.274   6.07 0.214 0.727 0.339 1.793     240.462     300.000       6.952    7 
-    360000       72000.00      34.937     -31.389       3.548   5.50 0.429 0.455 0.256 0.975     316.966     300.000       6.725    7 
-    370000       74000.00      34.165     -24.858       9.307   5.67 0.214 0.571 0.188 1.663     309.963     300.000       7.464    7 
-    380000       76000.00      46.101     -34.626      11.475   5.70 0.143 0.818 0.289 1.629     418.255     300.000       6.726    7 
-    390000       78000.00      18.576     -29.044     -10.468   5.75 0.286 0.750 0.375 1.048     168.532     300.000       6.535    7 
-    400000       80000.00      26.673     -29.533      -2.860   4.71 0.429 0.538 0.357 2.696     241.993     300.000       7.094    7 
-    410000       82000.00      23.648     -23.565       0.083   4.88 0.286 0.500 0.188 1.963     214.543     300.000       7.454    7 
-    420000       84000.00      23.021     -28.783      -5.761   4.94 0.143 0.667 0.409 1.308     208.861     300.000       7.187    7 
-    430000       86000.00      25.197     -34.446      -9.249   4.91 0.214 0.769 0.413 2.249     228.603     300.000       6.809    7 
-    440000       88000.00      30.181     -18.041      12.141   5.44 0.071 0.750 0.352 1.776     273.821     300.000       7.824    7 
-    450000       90000.00      27.187     -21.887       5.300   4.90 0.214 0.500 0.242 2.043     246.654     300.000       8.342    7 
-    460000       92000.00      27.458     -27.377       0.081   5.45 0.286 0.600 0.259 1.141     249.116     300.000       6.942    7 
-    470000       94000.00      30.815     -20.646      10.169   4.72 0.071 0.800 0.182 1.744     279.568     300.000       8.750    7 
-    480000       96000.00      26.580     -28.753      -2.173   4.70 0.143 0.500 0.420 0.994     241.147     300.000       7.574    7 
-    490000       98000.00      25.324     -23.395       1.929   3.53 0.143 0.778 0.313 1.371     229.752     300.000       6.909    7 
-    500000      100000.00      31.731     -29.253       2.478   2.76 0.071 0.833 0.205 2.446     287.876     300.000       7.349    7 
-    510000      102000.00      30.773     -19.998      10.774   4.52 0.214 0.571 0.299 1.265     279.185     300.000       7.336    7 
-    520000      104000.00      34.994     -26.149       8.845   4.56 0.214 0.500 0.167 1.789     317.482     300.000       7.803    7 
-    530000      106000.00      26.987     -19.716       7.271   4.84 0.214 0.500 0.242 2.376     244.836     300.000       7.208    7 
-    540000      108000.00      27.663     -28.215      -0.553   4.63 0.143 0.500 0.170 0.698     250.969     300.000       8.440    7 
-    550000      110000.00      22.192     -17.846       4.346   6.13 0.143 0.600 0.264 2.007     201.341     300.000       7.439    7 
-    560000      112000.00      23.407     -21.165       2.243   6.40 0.143 0.800 0.273 2.321     212.363     300.000       6.675    7 
-    570000      114000.00      29.684     -17.304      12.380   7.50 0.071 0.833 0.174 3.843     269.306     300.000      10.461    7 
-    580000      116000.00      30.351     -20.550       9.801   4.08 0.286 0.636 0.314 1.451     275.357     300.000       7.276    7 
-    590000      118000.00      30.183     -39.090      -8.908   4.89 0.429 0.571 0.286 1.161     273.834     300.000       7.208    7 
-    600000      120000.00      37.187     -21.753      15.434   4.91 0.143 0.800 0.327 1.388     337.380     300.000       7.013    7 
-    610000      122000.00      25.543     -32.066      -6.522   5.68 0.214 0.750 0.330 1.747     231.741     300.000       6.887    7 
-    620000      124000.00      26.237     -20.919       5.318   6.39 0.071 0.500 0.227 1.409     238.034     300.000       7.289    7 
-    630000      126000.00      24.865     -21.117       3.748   5.61 0.286 0.600 0.286 2.041     225.586     300.000       6.931    7 
-    640000      128000.00      25.864     -15.541      10.324   5.52 0.286 0.500 0.369 1.274     234.654     300.000       7.261    7 
-    650000      130000.00      37.075     -24.933      12.141   5.80 0.071 0.917 0.292 1.895     336.360     300.000       6.883    7 
-    660000      132000.00      33.632     -35.659      -2.028   5.99 0.214 0.500 0.273 1.923     305.125     300.000       6.919    7 
-    670000      134000.00      26.758     -32.109      -5.351   5.49 0.214 0.625 0.278 1.485     242.762     300.000       6.948    7 
-    680000      136000.00      30.756     -30.973      -0.216   5.17 0.214 0.625 0.182 1.550     279.038     300.000       6.838    7 
-    690000      138000.00      32.003     -28.890       3.113   4.56 0.286 0.500 0.199 1.311     290.345     300.000       7.528    7 
-    700000      140000.00      24.059     -11.439      12.620   3.85 0.286 0.429 0.247 2.436     218.274     300.000       8.001    7 
-    710000      142000.00      37.068     -28.957       8.111   6.26 0.286 0.636 0.364 1.461     336.298     300.000       6.833    7 
-    720000      144000.00      29.141     -34.499      -5.358   3.53 0.286 0.500 0.284 2.283     264.378     300.000       7.459    7 
-    730000      146000.00      29.480     -29.612      -0.131   6.04 0.143 0.667 0.182 1.622     267.460     300.000       8.932    7 
-    740000      148000.00      32.508     -33.179      -0.671   3.55 0.357 0.545 0.302 2.889     294.929     300.000       6.758    7 
-    750000      150000.00      27.013     -49.111     -22.098   4.34 0.143 0.846 0.311 1.311     245.074     300.000       6.710    7 
-    760000      152000.00      28.999     -31.643      -2.644   5.11 0.214 0.500 0.265 1.849     263.098     300.000       7.528    7 
-    770000      154000.00      25.876     -24.936       0.940   2.92 0.214 0.667 0.298 2.379     234.760     300.000       7.313    7 
-    780000      156000.00      30.118     -30.500      -0.381   4.15 0.429 0.400 0.327 2.474     273.249     300.000       7.405    7 
-    790000      158000.00      23.861     -23.579       0.282   4.41 0.071 0.857 0.182 1.724     216.476     300.000       8.276    7 
-    800000      160000.00      29.504     -37.957      -8.453   4.72 0.214 0.769 0.339 3.199     267.679     300.000       6.969    7 
-    810000      162000.00      27.277     -26.970       0.307   5.85 0.214 0.667 0.268 0.763     247.471     300.000       7.620    7 
-    820000      164000.00      32.703     -26.636       6.067   4.00 0.143 0.778 0.333 1.896     296.695     300.000       7.327    7 
-    830000      166000.00      29.207     -29.393      -0.185   5.45 0.214 0.625 0.330 1.781     264.983     300.000       7.317    7 
-    840000      168000.00      35.344     -37.355      -2.011   5.07 0.214 0.750 0.250 2.715     320.659     300.000       7.156    7 
-    850000      170000.00      29.038     -18.017      11.021   4.41 0.143 0.500 0.159 1.137     263.449     300.000       8.174    7 
-    860000      172000.00      27.877     -20.096       7.781   7.31 0.286 0.429 0.175 1.919     252.914     300.000      10.150    7 
-    870000      174000.00      30.951     -27.568       3.383   4.81 0.143 0.667 0.258 1.448     280.804     300.000       8.231    7 
-    880000      176000.00      35.347     -21.574      13.773   4.83 0.214 0.625 0.398 1.778     320.689     300.000       7.490    7 
-    890000      178000.00      22.714     -27.663      -4.949   5.49 0.286 0.500 0.170 2.451     206.074     300.000       7.430    7 
-    900000      180000.00      38.879     -26.634      12.245   5.35 0.071 0.857 0.214 1.298     352.729     300.000       8.173    7 
-    910000      182000.00      31.056     -27.307       3.750   4.12 0.214 0.700 0.205 1.964     281.760     300.000       7.684    7 
-    920000      184000.00      24.915     -27.401      -2.487   6.01 0.214 0.500 0.174 1.151     226.038     300.000       9.092    7 
-    930000      186000.00      24.769     -19.326       5.443   3.04 0.214 0.571 0.260 2.412     224.719     300.000       7.287    7 
-    940000      188000.00      22.858     -23.749      -0.891   4.82 0.286 0.556 0.187 1.840     207.383     300.000       8.175    7 
-    950000      190000.00      25.615     -31.087      -5.472   4.67 0.214 0.667 0.273 1.736     232.392     300.000       7.300    7 
-    960000      192000.00      28.739     -15.359      13.380   3.63 0.143 0.714 0.266 1.658     260.731     300.000       7.633    7 
-    970000      194000.00      21.343     -22.686      -1.343   3.47 0.357 0.444 0.283 2.355     193.635     300.000       7.200    7 
-    980000      196000.00      31.252     -29.618       1.634   7.18 0.214 0.625 0.199 3.130     283.536     300.000       7.556    7 
-    990000      198000.00      27.774     -20.198       7.577   6.44 0.214 0.400 0.182 2.740     251.983     300.000       9.326    7 
-   1000000      200000.00      26.644     -15.488      11.156   4.53 0.286 0.429 0.240 2.001     241.724     300.000       8.395    7 
+     10000        2000.00      31.010     -26.505       4.505   7.70 0.214 0.700 0.232 1.396     281.338     300.000      10.226    7 
+     20000        4000.00      35.118     -33.007       2.111   4.39 0.143 0.600 0.155 1.814     318.609     300.000       8.050    7 
+     30000        6000.00      23.085     -25.815      -2.730   8.97 0.071 0.750 0.148 1.221     209.436     300.000      12.337    7 
+     40000        8000.00      27.515     -28.903      -1.388   5.55 0.143 0.750 0.233 0.829     249.630     300.000       7.743    7 
+     50000       10000.00      26.231     -47.088     -20.857   4.55 0.214 0.750 0.333 1.342     237.978     300.000       6.619    7 
+     60000       12000.00      29.704     -29.619       0.085   4.60 0.143 0.818 0.260 1.384     269.488     300.000       6.827    7 
+     70000       14000.00      23.093     -25.852      -2.759   4.30 0.214 0.750 0.314 1.219     209.514     300.000       6.788    7 
+     80000       16000.00      31.250     -35.945      -4.694   3.23 0.429 0.667 0.295 1.171     283.520     300.000       6.458    7 
+     90000       18000.00      27.276     -27.223       0.053   2.50 0.500 0.500 0.406 2.665     247.463     300.000       7.021    7 
+    100000       20000.00      27.345     -20.653       6.691   5.84 0.143 0.667 0.205 1.343     248.087     300.000       6.861    7 
+    110000       22000.00      30.315     -24.655       5.660   4.67 0.143 0.500 0.261 1.099     275.033     300.000       7.751    7 
+    120000       24000.00      25.791     -20.898       4.894   4.55 0.143 0.667 0.167 2.007     233.994     300.000       8.354    7 
+    130000       26000.00      25.986     -27.713      -1.727   6.43 0.143 0.667 0.220 1.456     235.761     300.000       9.483    7 
+    140000       28000.00      30.216     -27.221       2.995   4.39 0.286 0.667 0.303 2.285     274.139     300.000       8.460    7 
+    150000       30000.00      25.167     -28.233      -3.067   6.53 0.214 0.667 0.192 1.476     228.327     300.000      10.090    7 
+    160000       32000.00      23.282     -38.311     -15.029   3.10 0.429 0.571 0.321 2.690     211.226     300.000       6.816    7 
+    170000       34000.00      19.863     -38.813     -18.950   3.58 0.357 0.545 0.326 1.781     180.206     300.000       6.582    7 
+    180000       36000.00      32.532     -28.208       4.324   5.28 0.214 0.400 0.164 1.650     295.148     300.000       8.790    7 
+    190000       38000.00      27.587     -26.888       0.699   4.15 0.286 0.667 0.231 0.979     250.286     300.000       6.802    7 
+    200000       40000.00      28.217     -32.559      -4.342   4.69 0.214 0.625 0.216 2.918     255.995     300.000       7.443    7 
+    210000       42000.00      31.702     -25.352       6.350   7.19 0.286 0.429 0.188 1.292     287.619     300.000       8.010    7 
+    220000       44000.00      28.940     -21.794       7.146   4.39 0.143 0.600 0.164 1.833     262.555     300.000       9.142    7 
+    230000       46000.00      31.400     -30.929       0.471   5.48 0.214 0.625 0.318 1.227     284.876     300.000       7.254    7 
+    240000       48000.00      31.200     -28.290       2.910   8.34 0.071 0.800 0.191 1.366     283.065     300.000      10.214    7 
+    250000       50000.00      39.062     -30.345       8.717   5.32 0.286 0.556 0.187 1.861     354.394     300.000       8.112    7 
+    260000       52000.00      33.207     -21.326      11.882   5.27 0.357 0.286 0.182 1.402     301.273     300.000       8.471    7 
+    270000       54000.00      32.741     -24.562       8.179   4.57 0.286 0.333 0.250 3.066     297.045     300.000       7.707    7 
+    280000       56000.00      28.156     -38.121      -9.965   3.83 0.143 0.833 0.337 1.282     255.448     300.000       7.091    7 
+    290000       58000.00      36.289     -26.985       9.304   4.40 0.357 0.500 0.295 2.673     329.233     300.000       6.819    7 
+    300000       60000.00      28.193     -33.320      -5.127   5.15 0.286 0.750 0.332 2.193     255.783     300.000       6.802    7 
+    310000       62000.00      26.163     -35.422      -9.259   3.42 0.214 0.700 0.309 2.731     237.360     300.000       7.312    7 
+    320000       64000.00      29.809     -25.730       4.080   4.35 0.071 0.833 0.371 1.311     270.447     300.000       7.573    7 
+    330000       66000.00      34.688     -39.162      -4.475   4.45 0.143 0.800 0.291 1.859     314.703     300.000       7.159    7 
+    340000       68000.00      32.814     -44.687     -11.872   4.88 0.357 0.583 0.269 1.310     297.708     300.000       6.860    7 
+    350000       70000.00      25.525     -28.601      -3.076   3.24 0.000 1.000 0.358 1.247     231.579     300.000       7.033    7 
+    360000       72000.00      36.353     -33.425       2.927   4.78 0.214 0.800 0.352 1.572     329.811     300.000       6.828    7 
+    370000       74000.00      40.832     -39.025       1.807   5.03 0.286 0.600 0.350 6.048     370.451     300.000       7.001    7 
+    380000       76000.00      47.724     -29.951      17.774   4.59 0.143 0.800 0.282 2.287     432.981     300.000       7.240    7 
+    390000       78000.00      24.083     -41.993     -17.910   3.71 0.214 0.727 0.318 0.735     218.495     300.000       6.763    7 
+    400000       80000.00      26.463     -30.570      -4.107   3.12 0.286 0.429 0.286 1.019     240.090     300.000       7.044    7 
+    410000       82000.00      29.585     -26.147       3.438   3.54 0.143 0.800 0.341 1.107     268.413     300.000       6.732    7 
+    420000       84000.00      25.015     -35.259     -10.244   6.93 0.214 0.571 0.182 1.623     226.950     300.000       8.924    7 
+    430000       86000.00      28.284     -38.003      -9.720   6.08 0.214 0.625 0.256 1.696     256.603     300.000       7.343    7 
+    440000       88000.00      30.457     -34.084      -3.627   5.22 0.429 0.571 0.253 1.198     276.318     300.000       6.956    7 
+    450000       90000.00      29.657     -19.502      10.155   3.63 0.214 0.500 0.197 1.097     269.063     300.000       7.969    7 
+    460000       92000.00      25.861     -19.580       6.281   6.77 0.071 0.800 0.200 0.754     234.625     300.000       9.898    7 
+    470000       94000.00      30.353      -6.339      24.013   6.63 0.214 0.250 0.216 1.710     275.376     300.000       8.482    7 
+    480000       96000.00      28.025     -31.116      -3.092   6.73 0.214 0.700 0.232 3.070     254.254     300.000       7.097    7 
+    490000       98000.00      25.771     -21.933       3.838   5.93 0.071 0.833 0.182 1.642     233.808     300.000       9.522    7 
+    500000      100000.00      28.465     -11.929      16.536   4.40 0.286 0.333 0.144 2.037     258.249     300.000       8.391    7 
+    510000      102000.00      35.911     -21.424      14.487   4.77 0.143 0.600 0.200 1.150     325.802     300.000       7.688    7 
+    520000      104000.00      31.185     -16.804      14.382   5.30 0.143 0.714 0.273 2.443     282.930     300.000       8.708    7 
+    530000      106000.00      29.037     -30.628      -1.590   4.45 0.143 0.833 0.371 2.604     263.443     300.000       7.150    7 
+    540000      108000.00      26.443     -27.910      -1.466   4.81 0.214 0.571 0.279 3.145     239.908     300.000       7.065    7 
+    550000      110000.00      28.306     -30.756      -2.450   3.90 0.214 0.571 0.149 1.444     256.805     300.000       7.368    7 
+    560000      112000.00      24.303     -35.196     -10.893   3.11 0.286 0.636 0.252 1.619     220.485     300.000       7.158    7 
+    570000      114000.00      35.330     -36.332      -1.003   2.79 0.500 0.562 0.295 2.268     320.531     300.000       6.882    7 
+    580000      116000.00      32.991     -23.879       9.112   3.91 0.071 0.833 0.265 2.137     299.311     300.000       7.864    7 
+    590000      118000.00      30.977     -28.282       2.695   7.18 0.214 0.625 0.290 2.991     281.037     300.000       7.275    7 
+    600000      120000.00      36.376     -34.397       1.978   3.42 0.214 0.727 0.174 1.825     330.020     300.000       7.954    7 
+    610000      122000.00      28.120     -43.599     -15.479   3.83 0.357 0.615 0.322 3.209     255.122     300.000       6.607    7 
+    620000      124000.00      28.816     -39.379     -10.562   3.90 0.214 0.750 0.307 0.953     261.438     300.000       6.733    7 
+    630000      126000.00      27.566     -20.055       7.511   3.40 0.286 0.636 0.310 1.539     250.093     300.000       7.426    7 
+    640000      128000.00      30.856     -32.727      -1.871   4.64 0.071 0.900 0.309 1.106     279.943     300.000       7.162    7 
+    650000      130000.00      39.571     -31.679       7.892   4.23 0.000 1.000 0.288 1.618     359.008     300.000       7.268    7 
+    660000      132000.00      34.915     -33.535       1.380   4.60 0.143 0.846 0.374 1.865     316.765     300.000       6.743    7 
+    670000      134000.00      27.483     -34.876      -7.392   5.32 0.357 0.643 0.412 0.956     249.344     300.000       6.938    7 
+    680000      136000.00      35.328     -33.076       2.252   4.45 0.286 0.667 0.337 1.303     320.514     300.000       6.968    7 
+    690000      138000.00      31.403     -23.807       7.596   3.90 0.214 0.667 0.328 2.066     284.904     300.000       7.874    7 
+    700000      140000.00      25.851     -35.812      -9.960   2.80 0.357 0.615 0.343 3.007     234.538     300.000       6.734    7 
+    710000      142000.00      34.689     -36.124      -1.435   3.14 0.143 0.818 0.339 0.851     314.717     300.000       6.870    7 
+    720000      144000.00      25.375     -12.358      13.017   4.46 0.071 0.750 0.182 1.711     230.211     300.000       8.295    7 
+    730000      146000.00      34.965     -31.547       3.418   3.99 0.214 0.800 0.312 2.646     317.220     300.000       7.417    7 
+    740000      148000.00      32.376     -27.879       4.497   5.64 0.357 0.615 0.262 2.223     293.727     300.000       7.193    7 
+    750000      150000.00      24.938     -33.110      -8.172   4.98 0.214 0.500 0.182 1.430     226.248     300.000       7.554    7 
+    760000      152000.00      29.004     -40.164     -11.160   7.11 0.286 0.692 0.227 1.602     263.142     300.000       7.616    7 
+    770000      154000.00      26.333     -33.926      -7.593   2.25 0.357 0.545 0.314 0.926     238.909     300.000       7.107    7 
+    780000      156000.00      25.823     -15.747      10.076   6.51 0.071 0.800 0.245 3.594     234.280     300.000       7.902    7 
+    790000      158000.00      27.174     -31.499      -4.326   3.59 0.286 0.556 0.258 1.278     246.533     300.000       7.546    7 
+    800000      160000.00      31.587     -33.560      -1.973   4.10 0.143 0.778 0.237 1.875     286.572     300.000       7.430    7 
+    810000      162000.00      27.970     -28.156      -0.186   2.80 0.071 0.833 0.174 1.223     253.757     300.000       7.501    7 
+    820000      164000.00      31.213     -32.563      -1.350   4.30 0.143 0.667 0.265 1.376     283.181     300.000       7.281    7 
+    830000      166000.00      27.957     -37.663      -9.707   4.05 0.143 0.833 0.413 1.279     253.637     300.000       7.007    7 
+    840000      168000.00      31.815     -32.467      -0.653   4.43 0.214 0.700 0.259 1.655     288.638     300.000       7.579    7 
+    850000      170000.00      28.938     -15.348      13.589   4.58 0.143 0.667 0.371 0.655     262.537     300.000       7.984    7 
+    860000      172000.00      31.825     -35.479      -3.654   4.37 0.357 0.583 0.216 1.751     288.735     300.000       7.601    7 
+    870000      174000.00      35.259     -24.527      10.733   5.35 0.286 0.429 0.195 1.330     319.891     300.000       7.519    7 
+    880000      176000.00      35.925     -32.269       3.655   5.79 0.214 0.625 0.205 2.187     325.926     300.000       8.544    7 
+    890000      178000.00      25.860     -18.009       7.851   6.16 0.214 0.571 0.208 2.272     234.611     300.000       8.353    7 
+    900000      180000.00      34.495      -5.665      28.830   5.60 0.286 0.000 0.159 1.823     312.958     300.000       9.282    7 
+    910000      182000.00      36.041     -25.644      10.397   3.94 0.357 0.500 0.223 2.232     326.982     300.000       7.432    7 
+    920000      184000.00      21.518     -16.223       5.294   5.15 0.071 0.875 0.375 2.725     195.219     300.000       7.140    7 
+    930000      186000.00      25.508     -19.463       6.045   5.36 0.071 0.750 0.205 1.061     231.421     300.000       8.201    7 
+    940000      188000.00      27.827     -34.656      -6.830   3.81 0.214 0.625 0.301 2.443     252.458     300.000       7.559    7 
+    950000      190000.00      29.254     -34.997      -5.743   3.27 0.286 0.733 0.342 1.993     265.409     300.000       6.407    7 
+    960000      192000.00      30.933     -30.157       0.776   2.70 0.429 0.600 0.276 1.348     280.643     300.000       6.951    7 
+    970000      194000.00      24.733     -35.468     -10.735   4.11 0.357 0.615 0.304 1.087     224.391     300.000       6.763    7 
+    980000      196000.00      29.439     -38.263      -8.825   4.18 0.429 0.600 0.345 1.665     267.083     300.000       6.706    7 
+    990000      198000.00      23.153     -24.792      -1.639   3.42 0.286 0.750 0.321 2.223     210.060     300.000       6.626    7 
+   1000000      200000.00      25.237     -29.763      -4.525   4.01 0.286 0.600 0.386 2.143     228.966     300.000       7.045    7 
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_MD000.cx b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_MD000.cx
index f9a44f62046aa0e2f93918c576a1848efadc48b5..71bc47c10f4c3788e0e1c8478f5f68df3d79e76f 100644
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diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_MD005.cx b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_MD005.cx
index b6f28d3e386941bb148d667aca38de63d3e27341..0cb6593062b8447819654db67ac9b2f45c9107bb 100644
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diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/fort.2 b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/fort.2
index da758bf..2536d5c 100644
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/fort.2
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/fort.2
@@ -35,5420 +35,5325 @@
  j           8  k          10
  j           9  k          10
 ====================MD calculation start====================
- acceleration/energy drift too large   2.13096242389111     
-   11.7410818169311       split increased to            2  itime           1 
+ acceleration/energy drift too large   1.73217607352825     
+   16.4106459742104       split increased to            2  itime           1 
   itsplit           1
- acceleration/energy drift too large   5.07491007787026     
-   34.7940511743258       split increased to            2  itime           2 
+ acceleration/energy drift too large   4.36073357092019     
+   31.3574173419426       split increased to            2  itime           2 
   itsplit           1
- acceleration/energy drift too large   4.06019105423651     
-   27.6277119761263       split increased to            2  itime           4 
+ acceleration/energy drift too large   3.51344588764979     
+   20.8962089511333       split increased to            2  itime           4 
   itsplit           1
- acceleration/energy drift too large   4.45967775310038     
-   21.5935944020420       split increased to            2  itime           5 
+ acceleration/energy drift too large   4.24891730934851     
+   24.5518416958483       split increased to            2  itime           5 
   itsplit           1
- acceleration/energy drift too large   6.42345397458169     
-   13.1966824105423       split increased to            2  itime           6 
+ acceleration/energy drift too large   5.41656067107533     
+   15.8351852766497       split increased to            2  itime           6 
   itsplit           1
- acceleration/energy drift too large   4.41599563180425     
-   24.0098889651224       split increased to            2  itime         817 
+ acceleration/energy drift too large   5.20555424563200     
+   27.0707307922753       split increased to            2  itime         399 
   itsplit           1
-Momenta zeroed out, time              199.80
-Momenta zeroed out, time              399.80
- acceleration/energy drift too large   4.79562004016923     
-   13.6241915713646       split increased to            2  itime        2265 
+ acceleration/energy drift too large   4.22103331700732     
+   15.8058489092534       split increased to            2  itime         782 
   itsplit           1
- acceleration/energy drift too large   7.20890174861598     
-   26.9644656156961       split increased to            2  itime        2823 
+ acceleration/energy drift too large   2.6205 acceleration/energy drift too large   5.68541784918227     
+   20.2023807663040       split increased to            2  itime        1629 
   itsplit           1
- acceleration/energy drift too large   3.95106129574166     
-   13.4464865493858       split increased to            2  itime        2896 
+ acceleration/energy drift too large   4.31921225948706     
+   13.2458351476842       split increased to            2  itime        1879 
   itsplit           1
-Momenta zeroed out, time              599.80
- acceleration/energy drift too large   3.98898405935474     
-   25.3069666116346       split increased to            2  itime        3461 
+Momenta zeroed out, time              399.80
+ acceleration/energy drift too large   7.98946783766944     
+   19.3523585006772       split increased to            2  itime        2611 
   itsplit           1
- acceleration/energy drift too large   3.7028 acceleration/energy drift too large   2.74399156322831     
-   17.6775997234638       split increased to           Momenta zeroed out, time              799.80
- acceleration/energy drift too large   3.77920310957882     
-   17.6588175616553       split increased to            2  itime        4762 
+ acceleration/energy drift too large   3.54431775520528     
+   10.3419399337542       split increased to            2  itime        2838 
   itsplit           1
+Momenta zeroed out, time              599.80
+Momenta zeroed out, time              799.80
 Momenta zeroed out, time              999.80
-Momenta zeroed out, time             1199.80
- acceleration/energy drift too large   4.35346347708231     
-   19.0050605174159       split increased to            2  itime        6268 
-  itsplit           1
- acceleration/energy drift too large   5.08830803672328     
-   11.0203436863192       split increased to            2  itime        6449 
+ acceleration/energy drift too large   4.14969764450282     
+   21.4045132636454       split increased to            2  itime        5529 
   itsplit           1
+Momenta zeroed out, time             1199.80
 Momenta zeroed out, time             1399.80
- acceleration/energy drift too large   2.22832303217936     
-   14.4392370360348       split increased to            2  itime        7639 
-  itsplit           1
 Momenta zeroed out, time             1599.80
- acceleration/energy drift too large   4.45703925472346     
-   16.4943099579796       split increased to            2  itime        8112 
+ acceleration/energy drift too large   2.56694541439451     
+   13.5647289457277       split increased to            2  itime        8464 
   itsplit           1
 Momenta zeroed out, time             1799.80
- acceleration/energy drift too large   5.12873465732896     
-   12.1077561550198       split increased to            2  itime        9499 
+ acceleration/energy drift too large   10.9734132156624     
+   72.2210376096120       split increased to            2  itime        9797 
   itsplit           1
 Velocities reset to random values, time             1999.80
 Momenta zeroed out, time             1999.80
- acceleration/energy drift too large   3.74145759599747     
-   12.8367721364544       split increased to            2  itime       10006 
-  itsplit           1
- acceleration/energy drift too large   5.31187588513512     
-   17.9102762200400       split increased to            2  itime       10406 
+Momenta zeroed out, time             2199.80
+ acceleration/energy drift too large   7.98082085401983     
+   21.6689174119263       split increased to            2  itime       11034 
   itsplit           1
- acceleration/energy drift too large   1.19241248851204     
-   10.4032986851405       split increased to            2  itime       10407 
+ acceleration/energy drift too large   8.77837857148895     
+   36.7189120986021       split increased to            2  itime       11290 
   itsplit           1
-Momenta zeroed out, time             2199.80
- acceleration/energy drift too large   4.48814479673248     
-   19.0205341074322       split increased to            2  itime       11254 
+ acceleration/energy drift too large   2.97507767038545     
+   13.7138081547641       split increased to            2  itime       11589 
   itsplit           1
 Momenta zeroed out, time             2399.80
-Momenta zeroed out, time             2599.80
- acceleration/energy drift too large   5.92454099155461     
-   12.9399106397360       split increased to            2  itime       13824 
+ acceleration/energy drift too large   7.43862837808736     
+   18.7739683530684       split increased to            2  itime       12197 
   itsplit           1
+ acceleration/energy drift too large   11.6186773156466     
+   61.0248673073503       split increased to            2  itime       12326 
+  itsplit           1
+ acceleration/energy drift too large   2.43590285604689     
+   13.3791094711120       split increased to            4  itime       12326 
+  itsplit           2
+ acceleration/energy drift too large   3.43687195232813     
+   19.1521491108563       split increased to            2  itime       12616 
+  itsplit           1
+Momenta zeroed out, time             2599.80
 Momenta zeroed out, time             2799.80
- acceleration/energy drift too large   5.71677735524183     
-   13.7582334512553       split increased to            2  itime       14481 
+ acceleration/energy drift too large   5.25906040193179     
+   13.7387112933342       split increased to            2  itime       14612 
   itsplit           1
- acceleration/energy drift too large   4.19779861943347     
-   20.8171077788561       split increased to            2  itime       14560 
+Momenta zeroed out, time             2999.80
+ acceleration/energy drift too large   4.11048533921418     
+   10.8596028068436       split increased to            2  itime       15111 
   itsplit           1
- acceleration/energy drift too large   2.37997667554281     
-   10.7244609533228       split increased to            2  itime       14691 
+ acceleration/energy drift too large   5.79709365749513     
+   37.2844645597806       split increased to            2  itime       15183 
   itsplit           1
- acceleration/energy drift too large   6.00848874089484     
-   31.8363236887603       split increased to            2  itime       14708 
+ acceleration/energy drift too large   2.90417979806652     
+   17.4126912482659       split increased to            2  itime       15571 
   itsplit           1
-Momenta zeroed out, time             2999.80
-Momenta zeroed out, time             3199.80
- acceleration/energy drift too large   3.70521749076298     
-   13.3865140320144       split increased to            2  itime       16181 
+ acceleration/energy drift too large   1.48957317595673     
+   12.5587534224099       split increased to            2  itime       15836 
   itsplit           1
+Momenta zeroed out, time             3199.80
 Momenta zeroed out, time             3399.80
- acceleration/energy drift too large   4.00848632806718     
-   12.8402565984687       split increased to            2  itime       17043 
+Momenta zeroed out, time             3599.80
+ acceleration/energy drift too large   10.1081708943317     
+   74.6180885096157       split increased to            2  itime       18257 
   itsplit           1
- acceleration/energy drift too large   4.98734872322871     
-   14.4762463380019       split increased to            2  itime       17691 
+Momenta zeroed out, time             3799.80
+ acceleration/energy drift too large   7.93765047273358     
+   17.4365599335669       split increased to            2  itime       19301 
   itsplit           1
-Momenta zeroed out, time             3599.80
- acceleration/energy drift too large   7.02015741891563     
-   16.3053692157684       split increased to            2  itime       18423 
+ acceleration/energy drift too large   7.37813330729714     
+   10.1811259511847       split increased to            2  itime       19302 
   itsplit           1
- acceleration/energy drift too large   4.25961065042713     
-   18.0240573439929       split increased to            2  itime       18894 
+ acceleration/energy drift too large   12.1409311198972     
+   65.7140915966279       split increased to            2  itime       19558 
   itsplit           1
- acceleration/energy drift too large   5.1352 acceleration/energy drift too large   10.1705593088956     
-   54.0661572909995       split increased to            2  itime       19843 
+ acceleration/energy drift too large   6.26254523922195     
+   20.4912898768559       split increased to            2  itime       19595 
   itsplit           1
 Velocities reset to random values, time             3999.80
 Momenta zeroed out, time             3999.80
- acceleration/energy drift too large   4.02133435041286 Velocities reset to random values, time             3999.80
-Momenta zeroed out, time             3999.80
- acceleration/energy drift too large   3.74775009500868     
-   16.5607727102752       split increased to            2  itime       20430 
-  itsplit           1
 Momenta zeroed out, time             4199.80
- acceleration/energy drift too large   8.01677656716387     
-   32.3236856137704       split increased to            2  itime       21088 
-  itsplit           1
- acceleration/energy drift too large   5.23385138387103     
-   12.5722815053468       split increased to            2  itime       21666 
-  itsplit           1
- acceleration/energy drift too large   11.1141616157884     
-   50.4456601687279       split increased to            2  itime       21841 
+Momenta zeroed out, time             4399.80
+ acceleration/energy drift too large   11.3884987684338     
+   61.0280523926640       split increased to            2  itime       22089 
   itsplit           1
- acceleration/energy drift too large   11.9833637540098     
-   57.9217602086837       split increased to            2  itime       21915 
+ acceleration/energy drift too large   2.36739301445517     
+   11.3783597340327       split increased to            4  itime       22089 
+  itsplit           2
+ acceleration/energy drift too large   6.09386092866957     
+   15.4334696802376       split increased to            2  itime       22443 
   itsplit           1
-Momenta zeroed out, time             4399.80
 Momenta zeroed out, time             4599.80
- acceleration/energy drift too large   4.56288083748871     
-   14.1362725543035       split increased to            2  itime       23422 
-  itsplit           1
 Momenta zeroed out, time             4799.80
- acceleration/energy drift too large   5.58416830316235     
-   21.4266834139063       split increased to            2  itime       24012 
+ acceleration/energy drift too large   2.18091902208420     
+   15.5397611723407       split increased to            2  itime       24653 
   itsplit           1
- acceleration/energy drift too large   5.16348020560318     
-   17.0465142774752       split increased to            2  itime       24143 
-  itsplit           1
- acceleration/energy drift too large   7.81240621686446     
-   13.3328793102699       split increased to            2  itime       24680 
+ acceleration/energy drift too large   17.5065074766655     
+   114.433970756603       split increased to            2  itime       24894 
   itsplit           1
+ acceleration/energy drift too large   4.47791641322125     
+   28.4237401254024       split increased to            4  itime       24894 
+  itsplit           2
 Momenta zeroed out, time             4999.80
- acceleration/energy drift too large   3.92396336684200     
-   10.7258711409285       split increased to            2  itime       25014 
-  itsplit           1
- acceleration/energy drift too large   2.41309431275552     
-   12.1207996217167       split increased to            2  itime       25020 
-  itsplit           1
- acceleration/energy drift too large   2.88912163256488     
-   10.6351492034565       split increased to            2  itime       25032 
-  itsplit           1
 Momenta zeroed out, time             5199.80
 Momenta zeroed out, time             5399.80
+ acceleration/energy drift too large   3.83600154839793     
+   15.0741553930718       split increased to            2  itime       27236 
+  itsplit           1
+ acceleration/energy drift too large   4.16131303622678     
+   15.3884149589443       split increased to            2  itime       27717 
+  itsplit           1
 Momenta zeroed out, time             5599.80
- acceleration/energy drift too large   3.84681253203338     
-   17.9269902511649       split increased to            2  itime       28091 
+ acceleration/energy drift too large   2.88198953186735     
+   19.6929250172957       split increased to            2  itime       28678 
   itsplit           1
 Momenta zeroed out, time             5799.80
 Velocities reset to random values, time             5999.80
 Momenta zeroed out, time             5999.80
- acceleration/energy drift too large   5.66729917084155     
-   17.2342037835848       split increased to            2  itime       30305 
+ acceleration/energy drift too large   6.98488108411656     
+   48.5635625783648       split increased to            2  itime       30850 
   itsplit           1
- acceleration/energy drift too large   7.28443686851626     
-   19.3691086038190       split increased to            2  itime       30841 
+ acceleration/energy drift too large   5.82440863254074     
+   10.3503927788433       split increased to            2  itime       30892 
   itsplit           1
 Momenta zeroed out, time             6199.80
- acceleration/energy drift too large   4.01423921218282     
-   10.2955116966093       split increased to            2  itime       31543 
+ acceleration/energy drift too large   6.15515307157294     
+   41.9826592570297       split increased to            2  itime       31761 
   itsplit           1
+ acceleration/energy drift too large   1.59164642514560     
+   10.8547575476040       split increased to            4  itime       31761 
+  itsplit           2
 Momenta zeroed out, time             6399.80
- acceleration/energy drift too large   10.4032976301253     
-   63.8160962708729       split increased to            2  itime       32050 
+ acceleration/energy drift too large   4.85523368673157     
+   27.4490032120987       split increased to            2  itime       32033 
   itsplit           1
-Momenta zeroed out, time             6599.80
- acceleration/energy drift too large   5.14439686025602     
-   11.3144746073406       split increased to            2  itime       33976 
+ acceleration/energy drift too large   8.65749898033725     
+   51.3665161314271       split increased to            2  itime       32036 
   itsplit           1
-Momenta zeroed out, time             6799.80
- acceleration/energy drift too large   2.96668720159388     
-   22.7696637279834       split increased to            2  itime       34420 
+ acceleration/energy drift too large   4.28094362889589     
+   10.6148250956428       split increased to            2  itime       32631 
   itsplit           1
- acceleration/energy drift too large   3.35016123431503     
-   11.8329300403985       split increased to            2  itime       34651 
+ acceleration/energy drift too large   6.6556 acceleration/energy drift too large   6.1537Momenta zeroed out, time             6999.80
+ acceleration/energy drift too large   10.8090677303084     
+   57.6999 acceleration/energy drift too large   6.79212448337962     
+   16.9847397770937       spl acceleration/energy drift too large   3.93269822825884     
+   18.6808Momenta zeroed out, time             6799.80
+ acceleration/energy drift too large   4.5386Momenta zeroed out, time             7199.80
+ acceleration/energy drift too large   4.07695933250184     
+   15.5977189916203       split increased to            2  itime       36158 
   itsplit           1
-Momenta zeroed out, time             6999.80
-Momenta zeroed out, time             7199.80
- acceleration/energy drift too large   5.39883467696546     
-   31.7290343304267       split increased to            2  itime       36352 
-  itsplit           1
- acceleration/energy drift too large   5.42287516452333     
-   28.6329239823555       split increased to            2  itime       36834 
+ acceleration/energy drift too large   7.52072671638533     
+   29.9552474563843       split increased to            2  itime       36669 
   itsplit           1
 Momenta zeroed out, time             7399.80
- acceleration/energy drift too large   3.46014155436634     
-   11.1471292184309       split increased to            2  itime       37383 
-  itsplit           1
- acceleration/energy drift too large   6.44344461496459     
-   16.9976678746570       split increased to            2  itime       37606 
-  itsplit           1
 Momenta zeroed out, time             7599.80
- acceleration/energy drift too large   16.0370605195538     
-   95.8270395039312       split increased to            2  itime       38862 
-  itsplit           1
+ acceleration/energy drift too large   5.51886027374158     
+   11.2415Momenta zeroed out, time             7399.80
+Momenta zeroed out, time             7599.80
 Momenta zeroed out, time             7799.80
- acceleration/energy drift too large   4.88201304715772     
-   10.6052059767567       split increased to            2  itime       39604 
-  itsplit           1
 Velocities reset to random values, time             7999.80
 Momenta zeroed out, time             7999.80
- acceleration/energy drift too large   15.7198382933757     
-   99.3979901667718       split increased to            2  itime       40566 
+ acceleration/energy drift too large   7.97437023072832     
+   30.3133529501810       split increased to            2  itime       40508 
   itsplit           1
-Momenta zeroed out, time             8199.80
- acceleration/energy drift too large   5.91803269160342     
-   20.7814122709390       split increased to            2  itime       41617 
-  itsplit           1
-Momenta zeroed out, time             8399.80
- acceleration/energy drift too large   8.67388722703112     
-   33.0752747227196       split increased to            2  itime       42105 
+ acceleration/energy drift too large   6.54829691579012     
+   22.7885940613154       split increased to            2  itime       40811 
   itsplit           1
- acceleration/energy drift too large   2.54848452061127     
-   14.9819710875817       split increased to            2  itime       42106 
+Momenta zeroed out, time             8199.80
+ acceleration/energy drift too large   2.50714658866021     
+   15.8095319677982       split increased to            2  itime       41593 
   itsplit           1
- acceleration/energy drift too large   2.95106034881116     
-   12.6096387255573       split increased to            2  itime       42256 
+ acceleration/energy drift too large   5.35053993470629     
+   12.7399910360680       splMomenta zeroed out, time             8799.80
+Momenta zeroed out, time             8999.80
+Momenta zeroed out, time             9199.80
+Momenta zeroed out, time             9399.80
+ acceleration/energy drift too large   5.22757689426346     
+   13.4487574059452       split increased to            2  itime       47335 
   itsplit           1
- acceleration/energy drift too large   6.44046070736261     
-   24.9399548485854       split increased to            2  itime       42391 
+ acceleration/energy drift too large   6.08074246422476     
+   10.1494142919633       split increased to            2  itime       47375 
   itsplit           1
- acceleration/energy drift too large   6.46668779592926     
-   21.2368002161866       split increased to            2  itime       42532 
+ acceleration/energy drift too large   5.53012883525074     
+   17.3506665953204       split increased to            2  itime       47552 
   itsplit           1
-Momenta zeroed out, time             8599.80
- acceleration/energy drift too large   5.45010383309156     
-   18.2679154804296       split increased to            2  itime       43897 
+Momenta zeroed out, time             9599.80
+ acceleration/energy drift too large   11.3960958331100     
+   35.8069884788435       split increased to            2  itime       48099 
   itsplit           1
-Momenta zeroed out, time             8799.80
- acceleration/energy drift too large   2.93585416572609     
-   18.8471074902394       split increased to            2  itime       44319 
+ acceleration/energy drift too large   1.70304666719896     
+   11.1902251998892       split increased to            2  itime       48100 
   itsplit           1
-Momenta zeroed out, time             8999.80
- acceleration/energy drift too large   9.67019543735621     
-   46.5410719214974       split increased to            2  itime       45129 
+ acceleration/energy drift too large   11.9438916678483     
+   66.6988816073661       split increased to            2  itime       48993 
   itsplit           1
- acceleration/energy drift too large   3.85682507912000     
-   23.3359033817797       split increased to            2  itime       45557 
+Momenta zeroed out, time             9799.80
+ acceleration/energy drift too large   6.13849851595433     
+   19.3995804470877       split increased to            2  itime       49024 
   itsplit           1
- acceleration/energy drift too large   6.34358957755185     
-   14.9631749352349       split increased to            2  itime       45725 
+ acceleration/energy drift too large   3.19808419212269     
+   10.0121235164567       split increased to            2  itime       49466 
   itsplit           1
- acceleration/energy drift too large   3.60135429285937     
-   12.8921764891933       split increased to           Momenta zeroed out, time             8999.80
- acceleration/energy drift too large   6.82761516745632     
-   23.2097210554036       split increased to            2  itime       45874 
+ acceleration/energy drift too large   6.83281581030244     
+   18.1734465028987       split increased to            2  itime       49756 
   itsplit           1
-Momenta zeroed out, time             9199.80
- acceleration/energy drift too large   4.35001331967509     
-   14.4644513954667       split increased to            2  itime       46296 
+ acceleration/energy drift too large   5.64008368718592     
+   15.1256227635090       split increased to            2  itime       49979 
   itsplit           1
- acceleration/energy drift too large   4.8613Momenta zeroed out, time             9599.80
-Momenta zeroed out, time             9799.80
 Velocities reset to random values, time             9999.80
 Momenta zeroed out, time             9999.80
- acceleration/energy drift too large   6.27494921938800     
-   30.5836674235869       split increased to            2  itime       50996 
-  itsplit           1
 Momenta zeroed out, time            10199.80
- acceleration/energy drift too large   2.99174577144268     
-   10.7245517383652       split increased to            2  itime       51010 
-  itsplit           1
-Momenta zeroed out, time            10399.80
- acceleration/energy drift too large   5.29348063629544     
-   11.0815690955669       split increased to            2  itime       52186 
-  itsplit           1
- acceleration/energy drift too large   9.97540745981348     
-   38.9276950919798       split increased to            2  itime       52482 
-  itsplit           1
- acceleration/energy drift too large   4.54317190251506     
-   19.0326913817696       split increased to            2  itime       52570 
-  itsplit           1
- acceleration/energy drift too large   5.07564282935663     
-   20.2036333147816       split increased to            2  itime       52571 
-  itsplit           1
- acceleration/energy drift too large   4.50102110434517     
-   15.2407607559551       split increased to            2  itime       52650 
-  itsplit           1
- acceleration/energy drift too large   3.27301747476327     
-   18.6826597683762       split increased to            2  itime       52963 
-  itsplit           1
-Momenta zeroed out, time            10599.80
- acceleration/energy drift too large   8.51418430092748     
-   24.4277442924109       split increased to            2  itime       53454 
-  itsplit           1
- acceleration/energy drift too large   8.66096822267460     
-   29.9587984400911       split increased to            2  itime       53512 
-  itsplit           1
- acceleration/energy drift too large   2.74014845286257     
-   13.9955607084992       split increased to            acceleration/energy drift too large   7.3216Momenta zeroed out, time            10799.80
- acceleration/energy drift too large   13.5295068894330     
-   61.1061377829170       split increased to           Momenta zeroed out, time            10799.80
- acceleration/energy drift too large   5.96519759492650     
-   27.5613827105216       split increased to            2  itime       54150 
-  itsplit           1
- acceleration/energy drift too large   10.3271024787353     
-   40.2896737690239       split increased to            2  itime       54992 
-  itsplit           1
-Momenta zeroed out, time            10999.80
+ acceleration/energy drift too large   6.47308198043878     
+   14.0923761678587       split increased to            acceleration/energy drift too large   3.52704181835165     
+   24.1018421886864       splMomenta zeroed out, time            10599.80
+ acceleration/energy drift too large   5.21562746310222     
+   19.2962406236875       split increased to           Momenta zeroed out, time            10599.80
+ acceleration/energy drift too large   3.1104Momenta zeroed out, time            10999.80
 Momenta zeroed out, time            11199.80
 Momenta zeroed out, time            11399.80
- acceleration/energy drift too large   5.60663302898869     
-   11.2528889885252       split increased to            2  itime       57063 
+ acceleration/energy drift too large   5.15744761440171     
+   20.6671977122551       split increased to            2  itime       57487 
   itsplit           1
- acceleration/energy drift too large   4.56708294808749     
-   22.7040508450177       split increased to            2  itime       57494 
+ acceleration/energy drift too large   4.61497623721515     
+   18.6906055072340       split increased to            2  itime       57775 
   itsplit           1
 Momenta zeroed out, time            11599.80
-Momenta zeroed out, time            11799.80
- acceleration/energy drift too large   6.47744122805279     
-   14.2208200445607       split increased to            2  itime       59457 
+ acceleration/energy drift too large   5.29247713964062     
+   31.9611939501468       split increased to            2  itime       58179 
   itsplit           1
- acceleration/energy drift too large   5.21314912819521     
-   23.0416923565935       split increased to            2  itime       59824 
-  itsplit           1
-Velocities reset to random values, time            11999.80
+Momenta zeroed out, time            11799.80
+ acceleration/energy drift too large   5.64180906134002     
+   17.2504Momenta zeroed out, time            11599.80
+ acceleration/energy drift too large   6.3044Velocities reset to random values, time            11999.80
 Momenta zeroed out, time            11999.80
- acceleration/energy drift too large   3.39464665654205     
-   10.7400192167108       split increased to            2  itime       60674 
-  itsplit           1
 Momenta zeroed out, time            12199.80
- acceleration/energy drift too large   5.14309343053226     
-   21.1817789698723       split increased to            2  itime       61101 
+ acceleration/energy drift too large   6.09493203795875     
+   20.6176102968180       split increased to            2  itime       61692 
   itsplit           1
 Momenta zeroed out, time            12399.80
- acceleration/energy drift too large   6.50183500424178     
-   35.0480000554695       split increased to            2  itime       62373 
-  itsplit           1
- acceleration/energy drift too large   4.00892808379529     
-   19.5304830034324       split increased to            2  itime       62511 
-  itsplit           1
 Momenta zeroed out, time            12599.80
- acceleration/energy drift too large   6.71864945122115     
-   45.9298219946023       split increased to            2  itime       63124 
-  itsplit           1
 Momenta zeroed out, time            12799.80
- acceleration/energy drift too large   14.3490017232883     
-   86.0396853329750       split increased to            2  itime       64675 
+ acceleration/energy drift too large   9.09017175085584     
+   38.9109372242907       split increased to            2  itime       64021 
   itsplit           1
- acceleration/energy drift too large   3.43959454694445     
-   21.4381909639450       split increased to            4  itime       64675 
-  itsplit           2
 Momenta zeroed out, time            12999.80
- acceleration/energy drift too large   2.37657611255200     
-   13.5457153233003       split increased to            2  itime       65109 
-  itsplit           1
- acceleration/energy drift too large   4.04265670549171     
-   20.8333922337587       split increased to            2  itime       65370 
-  itsplit           1
- acceleration/energy drift too large   8.93716994493905     
-   12.6735611599700       split increased to            2  itime       65758 
+ acceleration/energy drift too large   8.12659044962922     
+   36.2410124596036       split increased to            2  itime       65111 
   itsplit           1
 Momenta zeroed out, time            13199.80
- acceleration/energy drift too large   6.66805092109390     
-   26.2055149167788       split increased to           Momenta zeroed out, time            13199.80
 Momenta zeroed out, time            13399.80
 Momenta zeroed out, time            13599.80
- acceleration/energy drift too large   7.51663874850350     
-   31.4997787988052       split increased to            2  itime       68898 
+ acceleration/energy drift too large   5.94876827063404     
+   41.1805735725534       split increased to            2  itime       68801 
+  itsplit           1
+ acceleration/energy drift too large   3.82558798029155     
+   12.0651156519404       split increased to            2  itime       68830 
+  itsplit           1
+ acceleration/energy drift too large   4.64102567975542     
+   17.9275567109532       split increased to            2  itime       68898 
   itsplit           1
 Momenta zeroed out, time            13799.80
+ acceleration/energy drift too large   7.39290735533991     
+   25.7513581015061       split increased to            2  itime       69792 
+  itsplit           1
+ acceleration/energy drift too large   5.05870812629387     
+   17.4728220886150       split increased to            2  itime       69921 
+  itsplit           1
 Velocities reset to random values, time            13999.80
 Momenta zeroed out, time            13999.80
- acceleration/energy drift too large   6.41764279310133     
-   41.0154079431821       split increased to            2  itime       70714 
+ acceleration/energy drift too large   3.39239491706722     
+   17.9131025378586       split increased to            2  itime       70967 
   itsplit           1
 Momenta zeroed out, time            14199.80
- acceleration/energy drift too large   4.54493277093329     
-   22.7400115603006       split increased to            2  itime       71899 
-  itsplit           1
 Momenta zeroed out, time            14399.80
- acceleration/energy drift too large   12.0712730794413     
-   87.9758653304040       split increased to            2  itime       72763 
+ acceleration/energy drift too large   4.21369333171107     
+   16.0050904847700       split increased to            2  itime       72862 
   itsplit           1
 Momenta zeroed out, time            14599.80
- acceleration/energy drift too large   5.15362738614301     
-   12.8614619603414       split increased to            2  itime       73167 
+ acceleration/energy drift too large   4.49738205276353     
+   13.1587472492083       split increased to            2  itime       73112 
+  itsplit           1
+ acceleration/energy drift too large   5.38924321571729     
+   29.3134103277008       split increased to            2  itime       73608 
+  itsplit           1
+ acceleration/energy drift too large   8.89065591690907     
+   41.1926379528690       split increased to            2  itime       73712 
   itsplit           1
 Momenta zeroed out, time            14799.80
- acceleration/energy drift too large   12.4007986921626     
-   59.7243916499426       split increased to            2  itime       74815 
+ acceleration/energy drift too large   4.82547525005894     
+   10.5276338035194       split increased to            2  itime       74583 
   itsplit           1
- acceleration/energy drift too large   2.79620938722079     
-   17.1608298989349       split increased to            4  itime       74815 
+ acceleration/energy drift too large   5.31562056344606     
+   14.3957151402604       split increased to            2  itime       74764 
   itsplit           1
 Momenta zeroed out, time            14999.80
- acceleration/energy drift too large   4.53479182552401     
-   15.4933927195656       split increased to            2  itime       75078 
+ acceleration/energy drift too large   5.30511482630287     
+   22.4026337277472       split increased to            2  itime       75820 
+  itsplit           1
+ acceleration/energy drift too large   6.45233935866437     
+   26.7119496801579       split increased to            2  itime       75913 
   itsplit           1
 Momenta zeroed out, time            15199.80
- acceleration/energy drift too large   7.22170865819633     
-   36.7647906537501       split increased to            2  itime       76699 
+ acceleration/energy drift too large   6.63771966917359     
+   21.6831868843098       split increased to            2  itime       76035 
+  itsplit           1
+ acceleration/energy drift too large   2.65534270992885     
+   10.8322236661732       split increased to            2  itime       76337 
+  itsplit           1
+ acceleration/energy drift too large   3.72387663412255     
+   15.1305608567161       split increased to            2  itime       76938 
   itsplit           1
 Momenta zeroed out, time            15399.80
 Momenta zeroed out, time            15599.80
 Momenta zeroed out, time            15799.80
- acceleration/energy drift too large   10.0373723437964     
-   54.0020670230109       split increased to            2  itime       79379 
-  itsplit           1
- acceleration/energy drift too large   5.39158622947039     
-   27.6904710161918       split increased to            2  itime       79417 
+ acceleration/energy drift too large   6.84239596567162     
+   23.1755180435381       split increased to            2  itime       79184 
   itsplit           1
- acceleration/energy drift too large   3.02444250990829     
-   14.3723473635806       split increased to            2  itime       79764 
+ acceleration/energy drift too large   8.13478701269629     
+   29.4005581960238       split increased to            2  itime       79507 
   itsplit           1
 Velocities reset to random values, time            15999.80
 Momenta zeroed out, time            15999.80
- acceleration/energy drift too large   3.92696100728832     
-   20.3782475496773       split increased to            2  itime       80236 
-  itsplit           1
- acceleration/energy drift too large   5.19724065779545     
-   33.4355404332294       split increased to            2  itime       80494 
-  itsplit           1
- acceleration/energy drift too large   2.78656943835651     
-   17.5847157433030       split increased to            2  itime       80842 
-  itsplit           1
- acceleration/energy drift too large   5.75539173398627     
-   19.1033746856912       split increased to            2  itime       80847 
-  itsplit           1
- acceleration/energy drift too large   1.66528301415523     
-   10.5904143171256       split increased to            2  itime       80848 
-  itsplit           1
 Momenta zeroed out, time            16199.80
-Momenta zeroed out, time            16399.80
- acceleration/energy drift too large   5.47857774972383     
-   39.6112938595766       split increased to            2  itime       82178 
+ acceleration/energy drift too large   6.03017148837705     
+   28.3765428861381       split increased to            2  itime       81453 
   itsplit           1
- acceleration/energy drift too large   2.64510698204265     
-   11.2573250291434       split increased to            2  itime       82613 
+ acceleration/energy drift too large   5.78063692293796     
+   12.6760300890702       split increased to            2  itime       81908 
   itsplit           1
+Momenta zeroed out, time            16399.80
 Momenta zeroed out, time            16599.80
- acceleration/energy drift too large   5.28562148366774     
-   18.5132144502706       split increased to            2  itime       83584 
+ acceleration/energy drift too large   3.26592517598574     
+   18.8291655137830       split increased to            2  itime       83595 
   itsplit           1
 Momenta zeroed out, time            16799.80
- acceleration/energy drift too large   7.55315402882076     
-   31.7535231501451       split increased to            2  itime       84037 
+ acceleration/energy drift too large   4.03578668009105     
+   13.6413502392348       split increased to            2  itime       84539 
   itsplit           1
 Momenta zeroed out, time            16999.80
- acceleration/energy drift too large   3.94788447364918     
-   11.4319334244652       split increased to            2  itime       85666 
-  itsplit           1
- acceleration/energy drift too large   5.51183595896693     
-   30.8743659926330       split increased to            2  itime       85903 
-  itsplit           1
 Momenta zeroed out, time            17199.80
- acceleration/energy drift too large   9.34849085889302     
-   37.3482680159564       split increased to            2  itime       86354 
+ acceleration/energy drift too large   5.74380177760217     
+   12.9916195116237       split increased to            2  itime       86130 
   itsplit           1
 Momenta zeroed out, time            17399.80
- acceleration/energy drift too large   5.71817937114126     
-   15.5917854142470       split increased to            2  itime       87033 
-  itsplit           1
- acceleration/energy drift too large   5.39363691237332     
-   14.7838696375492       split increased to            2  itime       87555 
+ acceleration/energy drift too large   5.47287794144763     
+   20.9615522442378       split increased to            2  itime       87712 
   itsplit           1
 Momenta zeroed out, time            17599.80
- acceleration/energy drift too large   3.29863357614972     
-   13.3391363224005       split increased to            2  itime       88066 
+ acceleration/energy drift too large   4.78505855832160     
+   12.9729254521938       split increased to            2  itime       88500 
   itsplit           1
- acceleration/energy drift too large   4.56015634717724     
-   19.6078622097614       split increased to            2  itime       88538 
-  itsplit           1
- acceleration/energy drift too large   4.90151650216503     
-   16.4279609821648       split increased to            2  itime       88776 
+ acceleration/energy drift too large   10.3697922341174     
+   56.6343770372534       split increased to            2  itime       88824 
   itsplit           1
 Momenta zeroed out, time            17799.80
- acceleration/energy drift too large   5.38761654521451     
-   25.9339405653617       split increased to            2  itime       89451 
+ acceleration/energy drift too large   8.53501611868009     
+   32.0128083505462       split increased to            2  itime       89210 
+  itsplit           1
+ acceleration/energy drift too large   5.39494690178973     
+   10.3777465962807       split increased to            2  itime       89687 
   itsplit           1
 Velocities reset to random values, time            17999.80
 Momenta zeroed out, time            17999.80
+ acceleration/energy drift too large   12.6087793010099     
+   65.9072373258582       split increased to            2  itime       90088 
+  itsplit           1
 Momenta zeroed out, time            18199.80
+ acceleration/energy drift too large   4.22954186869463     
+   25.4326263710528       split increased to            2  itime       91905 
+  itsplit           1
 Momenta zeroed out, time            18399.80
 Momenta zeroed out, time            18599.80
- acceleration/energy drift too large   4.50854971642850     
-   13.8432396815596       split increased to            2  itime       93800 
-  itsplit           1
 Momenta zeroed out, time            18799.80
- acceleration/energy drift too large   4.16925867040523     
-   22.8958245470140       split increased to            2  itime       94467 
-  itsplit           1
 Momenta zeroed out, time            18999.80
+ acceleration/energy drift too large   2.87312227007479     
+   20.1665823643995       split increased to            2  itime       95270 
+  itsplit           1
+ acceleration/energy drift too large   7.84366092333284     
+   21.3883365274943       split increased to            2  itime       95706 
+  itsplit           1
 Momenta zeroed out, time            19199.80
- acceleration/energy drift too large   4.97820195654121     
-   10.9563413838021       split increased to            2  itime       96300 
+ acceleration/energy drift too large   7.39314973042982     
+   17.0686758518961       split increased to            2  itime       96834 
   itsplit           1
 Momenta zeroed out, time            19399.80
 Momenta zeroed out, time            19599.80
- acceleration/energy drift too large   2.79217616091906     
-   21.1410976565147       split increased to            2  itime       98221 
+ acceleration/energy drift too large   3.60309415193382     
+   17.6952603234228       split increased to            2  itime       98262 
+  itsplit           1
+ acceleration/energy drift too large   4.99150601462587     
+   14.6833409158319       split increased to            2  itime       98702 
   itsplit           1
 Momenta zeroed out, time            19799.80
- acceleration/energy drift too large   10.8691682859266     
-   59.9569726860383       split increased to            2  itime       99064 
+ acceleration/energy drift too large   4.16783283389184     
+   14.0639106665800       split increased to            2  itime       99388 
   itsplit           1
- acceleration/energy drift too large   1.98925455438173     
-   18.6528023009048       split increased to            2  itime       99065 
+ acceleration/energy drift too large   6.03809285551510     
+   24.0861209575158       split increased to            2  itime       99428 
   itsplit           1
- acceleration/energy drift too large   4.43252323461384     
-   11.9537347160822       split increased to            2  itime       99111 
+ acceleration/energy drift too large   8.72131559460876     
+   32.5595454037379       split increased to            2  itime       99433 
   itsplit           1
 Velocities reset to random values, time            19999.80
 Momenta zeroed out, time            19999.80
- acceleration/energy drift too large   5.79069512969964     
-   19.8031846606231       split increased to            2  itime      100796 
-  itsplit           1
-Momenta zeroed out, time            20199.80
- acceleration/energy drift too large   4.25926434238719     
-   14.0878522800111       split increased to            2  itime      101015 
+ acceleration/energy drift too large   7.18692790623729     
+   15.6918656234237       split increased to            2  itime      100758 
   itsplit           1
- acceleration/energy drift too large   1.71570217928903     
-   10.7935846486179       split increased to            2  itime      101407 
+ acceleration/energy drift too large   4.49710417752988     
+   19.1198179192446       split increased to            2  itime      100760 
   itsplit           1
-Momenta zeroed out, time            20399.80
- acceleration/energy drift too large   8.28966649197527     
-   31.5231792887641       split increased to            2  itime      102937 
+Momenta zeroed out, time            20199.80
+ acceleration/energy drift too large   2.45725561770241     
+   13.6403895115065       split increased to            2  itime      101044 
   itsplit           1
- acceleration/energy drift too large   4.52957755349923     
-   29.0604972124267       split increased to            4  itime      102937 
+ acceleration/energy drift too large   3.73749609231034     
+   18.8669217346639       split increased to            2  itime      101503 
   itsplit           1
-Momenta zeroed out, time            20599.80
- acceleration/energy drift too large   12.2860781352965     
-   55.9983339452166       split increased to            2  itime      103444 
+ acceleration/energy drift too large   4.95009454464336     
+   11.9296450482567       split increased to            2  itime      101780 
   itsplit           1
- acceleration/energy drift too large   5.51545460432777     
-   13.9420321308435       split increased to            2  itime      103626 
+ acceleration/energy drift too large   4.43341526134403     
+   11.9375772963191       split increased to            2  itime      101900 
   itsplit           1
- acceleration/energy drift too large   6.05506436031349     
-   11.9689557183445       split increased to            2  itime      103941 
+Momenta zeroed out, time            20399.80
+ acceleration/energy drift too large   4.21908110595203     
+   12.9821678424262       split increased to            2  itime      102495 
   itsplit           1
- acceleration/energy drift too large   2.50514440453203     
-   12.9745904053471       split increased to            2  itime      103945 
+Momenta zeroed out, time            20599.80
+Momenta zeroed out, time            20799.80
+Momenta zeroed out, time            20999.80
+ acceleration/energy drift too large   4.02304606989251     
+   12.8361521169435       split increased to            2  itime      105151 
   itsplit           1
- acceleration/energy drift too large   3.75824420696488     
-   16.5556778265818       split increased to            2  itime      103946 
+ acceleration/energy drift too large   3.28849965126055     
+   11.1017318798913       split increased to            2  itime      105315 
   itsplit           1
-Momenta zeroed out, time            20799.80
- acceleration/energy drift too large   5.57913203475687     
-   16.7380064039796       split increased to            2  itime      104820 
+ acceleration/energy drift too large   5.28491315979861     
+   28.8406189654904       split increased to            2  itime      105624 
   itsplit           1
-Momenta zeroed out, time            20999.80
 Momenta zeroed out, time            21199.80
- acceleration/energy drift too large   4.92501906260935     
-   24.6973868838399       split increased to            2  itime      106941 
+ acceleration/energy drift too large   8.47384211122078     
+   38.6858044183813       split increased to            2  itime      106054 
+  itsplit           1
+ acceleration/energy drift too large   6.59125913678159     
+   27.3092790453162       split increased to            2  itime      106274 
   itsplit           1
 Momenta zeroed out, time            21399.80
 Momenta zeroed out, time            21599.80
- acceleration/energy drift too large   7.43131447300311     
-   16.2811816574287       split increased to            2  itime      108700 
+ acceleration/energy drift too large   10.8802275615551     
+   41.9423768456240       split increased to            2  itime      108075 
+  itsplit           1
+ acceleration/energy drift too large   1.65237039063645     
+   10.1198462864057       split increased to            2  itime      108118 
   itsplit           1
 Momenta zeroed out, time            21799.80
- acceleration/energy drift too large   5.38457275098152     
-   13.5108711666247       split increased to            2  itime      109318 
+ acceleration/energy drift too large   2.23783417599805     
+   14.1866687724508       split increased to            2  itime      109189 
   itsplit           1
- acceleration/energy drift too large   6.11655331913849     
-   16.9347118849928       split increased to            2  itime      109415 
+ acceleration/energy drift too large   3.29477322210987     
+   13.5082373210441       split increased to            2  itime      109238 
   itsplit           1
- acceleration/energy drift too large   5.93827572132773     
-   14.4707463879443       split increased to            2  itime      109485 
+ acceleration/energy drift too large   5.18771450347147     
+   22.3623318511323       split increased to            2  itime      109471 
   itsplit           1
- acceleration/energy drift too large   7.01521088630103     
-   18.4802879724002       split increased to            2  itime      109486 
+ acceleration/energy drift too large   4.78828642616037     
+   17.1779033819923       split increased to            2  itime      109787 
   itsplit           1
 Velocities reset to random values, time            21999.80
 Momenta zeroed out, time            21999.80
- acceleration/energy drift too large   4.74404575266495     
-   12.7354223640979       split increased to            2  itime      110962 
+ acceleration/energy drift too large   4.71822689933304     
+   12.8171866688372       split increased to            2  itime      110094 
   itsplit           1
 Momenta zeroed out, time            22199.80
- acceleration/energy drift too large   7.47413421384699     
-   15.4219330410436       split increased to            2  itime      111244 
-  itsplit           1
 Momenta zeroed out, time            22399.80
 Momenta zeroed out, time            22599.80
- acceleration/energy drift too large   7.39197884837239     
-   21.8126003513137       split increased to            2  itime      113152 
-  itsplit           1
- acceleration/energy drift too large   20.1360135115224     
-   106.074434618988       split increased to            2  itime      113401 
-  itsplit           1
- acceleration/energy drift too large   4.08627690411770     
-   19.6296599213288       split increased to            4  itime      113401 
-  itsplit           2
- acceleration/energy drift too large   4.20658608083713     
-   12.0099878163584       split increased to            2  itime      113947 
+ acceleration/energy drift too large   5.57751937913655     
+   17.1906923764716       split increased to            2  itime      113374 
   itsplit           1
 Momenta zeroed out, time            22799.80
- acceleration/energy drift too large   5.37653242979110     
-   18.8221381636093       split increased to            2  itime      114467 
-  itsplit           1
- acceleration/energy drift too large   4.06250519270017     
-   16.7865165987183       split increased to            2  itime      114856 
-  itsplit           1
 Momenta zeroed out, time            22999.80
 Momenta zeroed out, time            23199.80
- acceleration/energy drift too large   6.18490995243473     
-   17.9005304105995       split increased to            2  itime      116065 
-  itsplit           1
- acceleration/energy drift too large   10.5413045455341     
-   39.7637146754050       split increased to            2  itime      116896 
+ acceleration/energy drift too large   6.98301096985637     
+   27.2434854999745       split increased to            2  itime      116288 
   itsplit           1
 Momenta zeroed out, time            23399.80
-Momenta zeroed out, time            23599.80
- acceleration/energy drift too large   4.06996555470185     
-   11.9490952126249       split increased to            2  itime      118536 
+ acceleration/energy drift too large   5.12090273136504     
+   10.8863839416699       split increased to            2  itime      117159 
   itsplit           1
- acceleration/energy drift too large   7.52576871851721     
-   24.7916492724145       split increased to            2  itime      118720 
+ acceleration/energy drift too large   3.27099455239805     
+   23.3404692029591       split increased to            2  itime      117763 
   itsplit           1
- acceleration/energy drift too large   2.76922413638284     
-   10.3195980268579       split increased to            2  itime      118721 
-  itsplit           1
- acceleration/energy drift too large   7.73257330408988     
-   26.9393000943755       split increased to            2  itime      118802 
+ acceleration/energy drift too large   4.16451234974912     
+   23.3646839699548       split increased to            2  itime      117902 
   itsplit           1
+Momenta zeroed out, time            23599.80
 Momenta zeroed out, time            23799.80
- acceleration/energy drift too large   2.40645872826609     
-   10.2590870178835       split increased to            2  itime      119544 
+ acceleration/energy drift too large   4.21664629364764     
+   12.1637108496345       split increased to            2  itime      119351 
   itsplit           1
 Velocities reset to random values, time            23999.80
 Momenta zeroed out, time            23999.80
- acceleration/energy drift too large   2.57020030267603     
-   16.7696023562823       split increased to            2  itime      120937 
+ acceleration/energy drift too large   5.73014842669153     
+   17.7462468431182       split increased to            2  itime      120456 
+  itsplit           1
+ acceleration/energy drift too large   7.31587715596584     
+   22.0189828544494       split increased to            2  itime      120640 
+  itsplit           1
+ acceleration/energy drift too large   3.15423696193921     
+   10.0180127737927       split increased to            2  itime      120682 
   itsplit           1
 Momenta zeroed out, time            24199.80
- acceleration/energy drift too large   4.07434138522304     
-   11.4632486257246       split increased to            2  itime      121204 
+ acceleration/energy drift too large   6.90663903073997     
+   50.9687207018845       split increased to            2  itime      121164 
   itsplit           1
- acceleration/energy drift too large   2.44411338543389     
-   10.4566892125557       split increased to            2  itime      121801 
+ acceleration/energy drift too large   4.73134020745747     
+   13.8381662432926       split increased to            2  itime      121500 
   itsplit           1
- acceleration/energy drift too large   1.14875929924629     
-   10.4350894562301       split increased to            2  itime      121814 
+ acceleration/energy drift too large   9.11774790830723     
+   41.3188323415195       split increased to            2  itime      121787 
+  itsplit           1
+ acceleration/energy drift too large   3.75998682126970     
+   12.4753686437405       split increased to            2  itime      121861 
   itsplit           1
 Momenta zeroed out, time            24399.80
 Momenta zeroed out, time            24599.80
- acceleration/energy drift too large   4.08026339151046     
-   12.1715799109868       split increased to            2  itime      123855 
+ acceleration/energy drift too large   3.16215045241203     
+   10.9328494038851       split increased to            2  itime      123118 
   itsplit           1
-Momenta zeroed out, time            24799.80
- acceleration/energy drift too large   5.05735677029003     
-   14.8068017494908       split increased to            2  itime      124898 
+ acceleration/energy drift too large   5.27086899228133     
+   22.5831944786263       split increased to            2  itime      123120 
   itsplit           1
+Momenta zeroed out, time            24799.80
 Momenta zeroed out, time            24999.80
- acceleration/energy drift too large   2.99427987053197     
-   11.6340717341775       split increased to            2  itime      125745 
-  itsplit           1
 Momenta zeroed out, time            25199.80
- acceleration/energy drift too large   3.10153367946445     
-   15.5477271869656       split increased to            2  itime      126045 
-  itsplit           1
- acceleration/energy drift too large   1.26218944381115     
-   11.6243584155496       split increased to            2  itime      126046 
-  itsplit           1
- acceleration/energy drift too large   6.17927061461585     
-   10.1375869036433       split increased to            2  itime      126217 
-  itsplit           1
- acceleration/energy drift too large   5.02615292324077     
-   15.0394249113381       split increased to            2  itime      126562 
-  itsplit           1
 Momenta zeroed out, time            25399.80
+ acceleration/energy drift too large   3.20048378038294     
+   10.2360827160087       split increased to            2  itime      127673 
+  itsplit           1
 Momenta zeroed out, time            25599.80
- acceleration/energy drift too large   4.05566523669629     
-   10.0670386925313       split increased to            2  itime      128885 
+ acceleration/energy drift too large   4.57046356980449     
+   11.8044477660206       split increased to            2  itime      128694 
   itsplit           1
 Momenta zeroed out, time            25799.80
- acceleration/energy drift too large   5.98132788973611     
-   28.9986561296175       split increased to            2  itime      129122 
+ acceleration/energy drift too large   4.05487603128867     
+   13.9872299577917       split increased to            2  itime      129454 
+  itsplit           1
+ acceleration/energy drift too large   3.03635278465968     
+   10.0842236278959       split increased to            2  itime      129455 
   itsplit           1
 Velocities reset to random values, time            25999.80
 Momenta zeroed out, time            25999.80
- acceleration/energy drift too large   11.5616172745149     
-   63.0901166611357       split increased to            2  itime      130566 
+Momenta zeroed out, time            26199.80
+ acceleration/energy drift too large   5.17225265087217     
+   11.2586630813430       split increased to            2  itime      131265 
   itsplit           1
- acceleration/energy drift too large   1.57568459139991     
-   13.5242902937538       split increased to            2  itime      130868 
+ acceleration/energy drift too large   4.25310483207226     
+   14.8924699489050       split increased to            2  itime      131332 
   itsplit           1
- acceleration/energy drift too large   5.82188357604370     
-   34.7010798600133       split increased to            2  itime      130996 
+ acceleration/energy drift too large   5.00469639674097     
+   10.2119840920989       split increased to            2  itime      131342 
   itsplit           1
-Momenta zeroed out, time            26199.80
- acceleration/energy drift too large   5.81497247170829     
-   29.4294150125930       split increased to            2  itime      131522 
+ acceleration/energy drift too large   3.25913028354228     
+   12.1251723817042       split increased to            2  itime      131362 
   itsplit           1
- acceleration/energy drift too large   4.63748832216340     
-   21.1046260259160       split increased to            2  itime      131789 
+ acceleration/energy drift too large   3.62176406931715     
+   10.6427267674360       split increased to            2  itime      131376 
   itsplit           1
 Momenta zeroed out, time            26399.80
- acceleration/energy drift too large   4.24084769851510     
-   11.3575956479591       split increased to            2  itime      132391 
-  itsplit           1
-Momenta zeroed out, time            26599.80
- acceleration/energy drift too large   7.76423809323846     
-   16.2317164142355       split increased to            2  itime      133457 
+ acceleration/energy drift too large   7.33043035615029     
+   16.1698048629580       split increased to            2  itime      132249 
   itsplit           1
- acceleration/energy drift too large   3.43951038342995     
-   15.8343721346015       split increased to            2  itime      133496 
+ acceleration/energy drift too large   6.76703836252064     
+   31.0155720276239       split increased to            2  itime      132920 
   itsplit           1
- acceleration/energy drift too large   5.58997696017651     
-   10.5750441067467       split increased to            2  itime      133498 
+Momenta zeroed out, time            26599.80
+ acceleration/energy drift too large   6.42714697121560     
+   19.0637710931188       split increased to            2  itime      133330 
   itsplit           1
 Momenta zeroed out, time            26799.80
- acceleration/energy drift too large   5.56928603019663     
-   12.7632037547293       split increased to            2  itime      134418 
-  itsplit           1
- acceleration/energy drift too large   8.78321244103952     
-   23.3782037128077       split increased to            2  itime      134513 
-  itsplit           1
- acceleration/energy drift too large   2.87499155705762     
-   10.1699974124920       split increased to            2  itime      134514 
-  itsplit           1
- acceleration/energy drift too large   3.06577766580355     
-   17.7644904769906       split increased to            2  itime      134848 
+ acceleration/energy drift too large   4.98659329459557     
+   22.0734304724344       split increased to            2  itime      134701 
   itsplit           1
 Momenta zeroed out, time            26999.80
-Momenta zeroed out, time            27199.80
- acceleration/energy drift too large   11.5668103936551     
-   61.3170706329042       split increased to            2  itime      136052 
-  itsplit           1
- acceleration/energy drift too large   4.91666842799646     
-   11.7168044388459       split increased to            2  itime      136375 
+ acceleration/energy drift too large   5.60329241811545     
+   19.8482174939091       split increased to            2  itime      135406 
   itsplit           1
- acceleration/energy drift too large   7.04851039669690     
-   19.5881714903413       split increased to            2  itime      136610 
+ acceleration/energy drift too large   4.78932366746515     
+   17.0580089547683       split increased to            2  itime      135693 
   itsplit           1
- acceleration/energy drift too large   2.54609521149914     
-   12.0372233837804       split increased to            2  itime      136611 
+ acceleration/energy drift too large   5.42024761679141     
+   12.0024600666155       split increased to            2  itime      135696 
   itsplit           1
- acceleration/energy drift too large   5.31406998192104     
-   12.9601324975821       split increased to            2  itime      136787 
+Momenta zeroed out, time            27199.80
+ acceleration/energy drift too large   9.57688296452125     
+   50.1554397247812       split increased to            2  itime      136711 
   itsplit           1
 Momenta zeroed out, time            27399.80
- acceleration/energy drift too large   6.08773224275072     
-   28.3799909490055       split increased to            2  itime      137596 
-  itsplit           1
- acceleration/energy drift too large   5.65938688067693     
-   19.4962749370644       split increased to            2  itime      137627 
+Momenta zeroed out, time            27599.80
+ acceleration/energy drift too large   7.91471240835586     
+   24.4773968313495       split increased to            2  itime      138481 
   itsplit           1
- acceleration/energy drift too large   2.31157581664893     
-   16.7950308930710       split increased to            2  itime      137628 
+Momenta zeroed out, time            27799.80
+ acceleration/energy drift too large   4.19824996292302     
+   21.2186293315836       split increased to            2  itime      139749 
   itsplit           1
- acceleration/energy drift too large   6.89749318688823     
-   22.2219109833645       split increased to            2  itime      137745 
-  itsplit           1
- acceleration/energy drift too large   4.1541Momenta zeroed out, time            27799.80
- acceleration/energy drift too large   13.0710103730408     
-   58.1691404859066       split increased to            2  itime      139440 
+ acceleration/energy drift too large   6.44139781205650     
+   24.2536009687643       split increased to            2  itime      139828 
   itsplit           1
 Velocities reset to random values, time            27999.80
 Momenta zeroed out, time            27999.80
- acceleration/energy drift too large   5.32351856591315 Velocities reset to random values, time            27999.80
-Momenta zeroed out, time            27999.80
- acceleration/energy drift too large   13.0614982591649     
-   75.2237522281709       split increased to            2  itime      140505 
+ acceleration/energy drift too large   8.07223676147289     
+   30.9785990677551       split increased to            2  itime      140680 
   itsplit           1
 Momenta zeroed out, time            28199.80
- acceleration/energy drift too large   5.11266236568007     
-   17.8206591330233       split increased to            2  itime      141279 
+ acceleration/energy drift too large   4.97490688717949     
+   15.5878772804057       split increased to            2  itime      141883 
   itsplit           1
- acceleration/energy drift too large   7.4722 acceleration/energy drift too large   5.89993842406426     
-   12.4150277591526       split increased to           Momenta zeroed out, time            28399.80
- acceleration/energy drift too large   5.58916190066393     
-   15.4847363406981       split increased to            2  itime      142576 
+Momenta zeroed out, time            28399.80
+ acceleration/energy drift too large   4.90709252440749     
+   14.7745535211160       split increased to            2  itime      142133 
   itsplit           1
 Momenta zeroed out, time            28599.80
- acceleration/energy drift too large   5.53116445763763     
-   26.9137229613526       split increased to            2  itime      143975 
-  itsplit           1
 Momenta zeroed out, time            28799.80
-Momenta zeroed out, time            28999.80
- acceleration/energy drift too large   6.02253996562379     
-   12.9001035185359       split increased to            2  itime      145007 
+ acceleration/energy drift too large  0.984437729284280     
+   10.1754201788864       split increased to            2  itime      144477 
   itsplit           1
- acceleration/energy drift too large   4.21189427881535     
-   10.8103341009159       split increased to            2  itime      145411 
+Momenta zeroed out, time            28999.80
+ acceleration/energy drift too large   4.42374881897375     
+   13.5485495850664       split increased to            2  itime      145134 
   itsplit           1
 Momenta zeroed out, time            29199.80
 Momenta zeroed out, time            29399.80
- acceleration/energy drift too large   2.08579335922303     
-   12.4059764658172       split increased to            2  itime      147265 
-  itsplit           1
 Momenta zeroed out, time            29599.80
 Momenta zeroed out, time            29799.80
- acceleration/energy drift too large   5.95152333982763     
-   11.9054027847559       split increased to            2  itime      149882 
-  itsplit           1
 Velocities reset to random values, time            29999.80
 Momenta zeroed out, time            29999.80
- acceleration/energy drift too large   3.14363832807960     
-   11.3445124362934       split increased to            2  itime      150602 
+ acceleration/energy drift too large   8.33267469004487     
+   40.1887336407599       split increased to            2  itime      150730 
   itsplit           1
 Momenta zeroed out, time            30199.80
- acceleration/energy drift too large   3.45536331966226     
-   11.1349400137978       split increased to            2  itime      151106 
-  itsplit           1
 Momenta zeroed out, time            30399.80
- acceleration/energy drift too large   2.20585370035409     
-   11.4911489485957       split increased to            2  itime      152102 
-  itsplit           1
- acceleration/energy drift too large   5.74319992206277     
-   32.9911427490863       split increased to            2  itime      152745 
+ acceleration/energy drift too large   3.85856665818068     
+   11.9616954690690       split increased to            2  itime      152363 
   itsplit           1
 Momenta zeroed out, time            30599.80
- acceleration/energy drift too large   4.73997739432363     
-   22.2445666241631       split increased to            2  itime      153094 
-  itsplit           1
- acceleration/energy drift too large   3.16186781426976     
-   10.1226596666427       split increased to            2  itime      153095 
+ acceleration/energy drift too large   5.45645957915690     
+   33.7561815483706       split increased to            2  itime      153415 
   itsplit           1
- acceleration/energy drift too large   2.84521364972332     
-   14.8717451412814       split increased to            2  itime      153607 
+ acceleration/energy drift too large   4.18109260262658     
+   18.5590635410181       split increased to            2  itime      153419 
   itsplit           1
 Momenta zeroed out, time            30799.80
- acceleration/energy drift too large   3.71935416430202     
-   13.5388916493583       split increased to            2  itime      154744 
+ acceleration/energy drift too large   6.08549005439638     
+   11.3244123907569       split increased to            2  itime      154438 
+  itsplit           1
+ acceleration/energy drift too large   1.92570401485209     
+   14.9370196370581       split increased to            2  itime      154439 
   itsplit           1
 Momenta zeroed out, time            30999.80
- acceleration/energy drift too large   2.43666022952528     
-   13.6903093032181       split increased to            2  itime      155857 
+ acceleration/energy drift too large   14.5648481891638     
+   74.4502454509618       split increased to            2  itime      155181 
+  itsplit           1
+ acceleration/energy drift too large   7.72930850633727     
+   24.1025214242414       split increased to            2  itime      155897 
+  itsplit           1
+ acceleration/energy drift too large   4.20989034956098     
+   16.3088234936833       split increased to            2  itime      155962 
   itsplit           1
 Momenta zeroed out, time            31199.80
-Momenta zeroed out, time            31399.80
- acceleration/energy drift too large   3.36048105942300     
-   10.5225162668181       split increased to            2  itime      157095 
+ acceleration/energy drift too large   6.04595490831684     
+   12.5972581411967       split increased to            2  itime      156037 
   itsplit           1
-Momenta zeroed out, time            31599.80
- acceleration/energy drift too large   5.53536625468618     
-   23.3545957864486       split increased to            2  itime      158878 
+ acceleration/energy drift too large   2.90366995552958     
+   10.4273833997095       split increased to            2  itime      156304 
+  itsplit           1
+ acceleration/energy drift too large   4.28038063414331     
+   12.1219527875983       split increased to            2  itime      156825 
   itsplit           1
+Momenta zeroed out, time            31399.80
+Momenta zeroed out, time            31599.80
 Momenta zeroed out, time            31799.80
+ acceleration/energy drift too large   3.49411396728122     
+   10.8787615775816       split increased to            2  itime      159680 
+  itsplit           1
+ acceleration/energy drift too large   3.55057568847884     
+   13.4862673701496       split increased to            2  itime      159724 
+  itsplit           1
+ acceleration/energy drift too large   8.34791669097242     
+   31.8918126017615       split increased to            2  itime      159727 
+  itsplit           1
 Velocities reset to random values, time            31999.80
 Momenta zeroed out, time            31999.80
- acceleration/energy drift too large   4.71947163996286     
-   15.0937540965349       split increased to            2  itime      160716 
+ acceleration/energy drift too large   8.73755643418504     
+   24.1280951530580       split increased to            2  itime      160408 
   itsplit           1
 Momenta zeroed out, time            32199.80
- acceleration/energy drift too large   12.5887054342045     
-   73.1979112627082       split increased to            2  itime      161527 
+ acceleration/energy drift too large   4.96997276444216     
+   19.0383162076414       split increased to            2  itime      161767 
   itsplit           1
 Momenta zeroed out, time            32399.80
- acceleration/energy drift too large   12.0754995984346     
-   71.4261555572442       split increased to            2  itime      162255 
+ acceleration/energy drift too large   3.94064918167763     
+   11.4185194319129       split increased to            2  itime      162270 
+  itsplit           1
+ acceleration/energy drift too large   4.43936909694739     
+   20.9172547235810       split increased to            2  itime      162503 
   itsplit           1
- acceleration/energy drift too large   5.80334054088946     
-   11.1246512283442       split increased to            2  itime      162505 
+ acceleration/energy drift too large   9.71532128147942     
+   43.7473632847999       split increased to            2  itime      162876 
   itsplit           1
 Momenta zeroed out, time            32599.80
+ acceleration/energy drift too large   4.97072153683263     
+   22.5681791233528       split increased to            2  itime      163006 
+  itsplit           1
+ acceleration/energy drift too large   5.49974287987544     
+   27.7331864882968       split increased to            2  itime      163284 
+  itsplit           1
 Momenta zeroed out, time            32799.80
- acceleration/energy drift too large   5.05378552872394     
-   15.2892505381433       split increased to            2  itime      164336 
+ acceleration/energy drift too large   3.88081914828466     
+   13.0226679007450       split increased to            2  itime      164487 
   itsplit           1
 Momenta zeroed out, time            32999.80
-Momenta zeroed out, time            33199.80
- acceleration/energy drift too large   4.03586710569561     
-   11.2088855665555       split increased to            2  itime      166729 
+ acceleration/energy drift too large   6.99719189105611     
+   17.2651051148333       split increased to            2  itime      165444 
+  itsplit           1
+ acceleration/energy drift too large   3.83268458949499     
+   11.0117173986488       split increased to            2  itime      165725 
   itsplit           1
- acceleration/energy drift too large   6.08998512517398     
-   13.8474180092003       split increased to            2  itime      166831 
+Momenta zeroed out, time            33199.80
+ acceleration/energy drift too large   12.6804166013548     
+   65.7048752622026       split increased to            2  itime      166875 
   itsplit           1
 Momenta zeroed out, time            33399.80
+ acceleration/energy drift too large   4.62876995632205     
+   17.6122020326701       split increased to            2  itime      167049 
+  itsplit           1
+ acceleration/energy drift too large   35.9867414651012     
+   405.925621945886       split increased to            2  itime      167073 
+  itsplit           1
+ acceleration/energy drift too large   8.61376713655370     
+   94.0135039885958       split increased to            4  itime      167073 
+  itsplit           2
+ acceleration/energy drift too large   4.50636416326742     
+   12.9470366316318       split increased to            2  itime      167931 
+  itsplit           1
 Momenta zeroed out, time            33599.80
-Momenta zeroed out, time            33799.80
- acceleration/energy drift too large   6.11231412269641     
-   19.0437546866561       split increased to            2  itime      169525 
+ acceleration/energy drift too large   11.7847295354606     
+   54.4609376491833       split increased to            2  itime      168373 
   itsplit           1
- acceleration/energy drift too large   2.10418401695815     
-   11.2891624977726       split increased to            2  itime      169526 
+ acceleration/energy drift too large   4.02715360268108     
+   11.6620763773587       split increased to            2  itime      168804 
   itsplit           1
+ acceleration/energy drift too large   4.70490384950468     
+   12.3379460526639       split increased to            2  itime      168816 
+  itsplit           1
+Momenta zeroed out, time            33799.80
 Velocities reset to random values, time            33999.80
 Momenta zeroed out, time            33999.80
- acceleration/energy drift too large   2.94207670744683     
-   14.1784256282839       split increased to            2  itime      170128 
+ acceleration/energy drift too large   5.66402257557007     
+   17.7542063491177       split increased to            2  itime      170291 
   itsplit           1
- acceleration/energy drift too large   6.21171954701858     
-   17.1523170096345       split increased to            2  itime      170855 
+ acceleration/energy drift too large   7.32234526386516     
+   20.2920343018899       split increased to            2  itime      170485 
   itsplit           1
 Momenta zeroed out, time            34199.80
 Momenta zeroed out, time            34399.80
- acceleration/energy drift too large   2.03607313452839     
-   12.6157519737174       split increased to            2  itime      172154 
+ acceleration/energy drift too large   4.22835813355772     
+   23.0490231960373       split increased to            2  itime      172148 
   itsplit           1
- acceleration/energy drift too large   1.78958328758096     
-   11.1295647992110       split increased to            2  itime      172155 
+ acceleration/energy drift too large   4.38083069198339     
+   16.0882624199144       split increased to            2  itime      172866 
   itsplit           1
 Momenta zeroed out, time            34599.80
- acceleration/energy drift too large   3.66162264776327     
-   16.7010247701506       split increased to            2  itime      173248 
-  itsplit           1
- acceleration/energy drift too large   9.23687340330809     
-   43.4982741818866       split increased to            2  itime      173478 
-  itsplit           1
- acceleration/energy drift too large   2.29970201009960     
-   13.2517047810539       split increased to            2  itime      173779 
+ acceleration/energy drift too large   5.13251102438088     
+   13.7729320580752       split increased to            2  itime      173342 
   itsplit           1
 Momenta zeroed out, time            34799.80
- acceleration/energy drift too large   7.54349682038757     
-   24.1324387927732       split increased to            2  itime      174672 
-  itsplit           1
 Momenta zeroed out, time            34999.80
- acceleration/energy drift too large   9.11361408489292     
-   39.4859894739065       split increased to            2  itime      175100 
+Momenta zeroed out, time            35199.80
+Momenta zeroed out, time            35399.80
+Momenta zeroed out, time            35599.80
+Momenta zeroed out, time            35799.80
+ acceleration/energy drift too large   5.50857282917949     
+   36.4313802782711       split increased to            2  itime      179257 
   itsplit           1
- acceleration/energy drift too large   2.26482273645586     
-   10.0951433011601       split increased to            2  itime      175107 
+ acceleration/energy drift too large   5.01158315849360     
+   10.6198174506321       split increased to            2  itime      179350 
   itsplit           1
- acceleration/energy drift too large   4.84337136179978     
-   13.7095088901623       split increased to            2  itime      175561 
+ acceleration/energy drift too large   5.14877960606745     
+   21.0267417592724       split increased to            2  itime      179822 
   itsplit           1
-Momenta zeroed out, time            35199.80
- acceleration/energy drift too large   2.97669386409218     
-   15.0885963056338       split increased to            2  itime      176651 
+Velocities reset to random values, time            35999.80
+Momenta zeroed out, time            35999.80
+ acceleration/energy drift too large   2.56585736870204     
+   11.8073744497547       split increased to            2  itime      180081 
   itsplit           1
-Momenta zeroed out, time            35399.80
-Momenta zeroed out, time            35599.80
- acceleration/energy drift too large   5.05085280323889     
-   20.6152294238034       split increased to            2  itime      178342 
+ acceleration/energy drift too large   7.49815058959959     
+   36.6967280296515       split increased to            2  itime      180580 
   itsplit           1
- acceleration/energy drift too large   12.6988256628311     
-   70.9409397932671       split increased to            2  itime      178571 
+ acceleration/energy drift too large   2.11205136972455     
+   12.9789124091282       split increased to            2  itime      180581 
   itsplit           1
- acceleration/energy drift too large   8.37109533223315     
-   28.8398086632830       split increased to            2  itime      178607 
+Momenta zeroed out, time            36199.80
+Momenta zeroed out, time            36399.80
+Momenta zeroed out, time            36599.80
+ acceleration/energy drift too large   10.0705815079389     
+   46.8794853988822       split increased to            2  itime      183472 
   itsplit           1
- acceleration/energy drift too large   4.28757033635883     
-   14.3364069886119       split increased to            2  itime      178921 
+ acceleration/energy drift too large   6.44633292344687     
+   20.3560196920331       split increased to            2  itime      183552 
   itsplit           1
- acceleration/energy drift too large   5.80716002969166     
-   16.6781112995717       split increased to            2  itime      178984 
+ acceleration/energy drift too large   11.4970525537958     
+   56.3473904579177       split increased to            2  itime      183713 
   itsplit           1
-Momenta zeroed out, time            35799.80
- acceleration/energy drift too large   7.10545638501475     
-   23.1255662132188       split increased to            2  itime      179568 
+Momenta zeroed out, time            36799.80
+ acceleration/energy drift too large   3.30689586892784     
+   10.9303109639901       split increased to            2  itime      184122 
   itsplit           1
- acceleration/energy drift too large   2.66673138315245     
-   10.5597451912660       split increased to            2  itime      179677 
+ acceleration/energy drift too large   4.82385114089442     
+   12.9888655994167       split increased to            2  itime      184299 
   itsplit           1
-Velocities reset to random values, time            35999.80
-Momenta zeroed out, time            35999.80
- acceleration/energy drift too large   4.04549524116115     
-   12.5209783371475       split increased to            2  itime      180037 
+ acceleration/energy drift too large   2.86502133909798     
+   10.3173396189375       split increased to            2  itime      184351 
+  itsplit           1
+Momenta zeroed out, time            36999.80
+ acceleration/energy drift too large   4.87772975724921     
+   18.6964523357193       split increased to            2  itime      185013 
   itsplit           1
- acceleration/energy drift too large   9.53456966967518     
-   25.1956873866313       split increased to            2  itime      1805Momenta zeroed out, time   acceleration/energMomenta zeroed out, time            36999.80
- acceleration/energy drift too large   2.64345753096355     
-   16.2746191256625       split increased to            2  itime      185714 
+ acceleration/energy drift too large   3.66471319753937     
+   19.5669941698499       split increased to            2  itime      185446 
   itsplit           1
- acceleration/energy drift too large   3.98660024861071     
-   11.6853656223039       split increased to            2  itime      185715 
+ acceleration/energy drift too large   4.51395188065769     
+   16.3603801684146       split increased to            2  itime      185814 
   itsplit           1
 Momenta zeroed out, time            37199.80
-Momenta zeroed out, time            37399.80
-Momenta zeroed out, time            37599.80
- acceleration/energy drift too large   4.21373147480053     
-   15.7644428007371       split increased to            2  itime      188340 
+ acceleration/energy drift too large   4.66452615692693     
+   20.4484307374111       split increased to            2  itime      186786 
   itsplit           1
- acceleration/energy drift too large   2.14929083153533     
-   10.1969429576705       split increased to            2  itime      188824 
+ acceleration/energy drift too large   3.79672130047301     
+   16.0740633936993       split increased to            2  itime      186787 
   itsplit           1
-Momenta zeroed out, time            37799.80
- acceleration/energy drift too large   5.10910863009824     
-   24.4258272815414       split increased to            2  itime      189450 
+ acceleration/energy drift too large   4.08026668168347     
+   12.8320298107334       split increased to            2  itime      186909 
   itsplit           1
- acceleration/energy drift too large   5.62951244523049     
-   12.3138867777235       split increased to            2  itime      189587 
+Momenta zeroed out, time            37399.80
+ acceleration/energy drift too large   5.62226716070712     
+   29.6373522214092       split increased to            2  itime      187451 
   itsplit           1
-Velocities reset to random values, time            37999.80
-Momenta zeroed out, time            37999.80
- acceleration/energy drift too large   7.21132136243367     
-   19.2938875463710       split increased to            2  itime      190051 
+ acceleration/energy drift too large   3.70962002881760     
+   10.2256991242889       split increased to            2  itime      187861 
   itsplit           1
- acceleration/energy drift too large   2.96709395859663     
-   17.0363209334786       split increased to            2  itime      190056 
+Momenta zeroed out, time            37599.80
+ acceleration/energy drift too large   3.59806083893064     
+   13.8860244908188       split increased to            2  itime      188046 
   itsplit           1
- acceleration/energy drift too large   3.79627683558051     
-   19.1064267926216       split increased to            2  itime      190243 
+ acceleration/energy drift too large   2.58690695649903     
+   11.6416564485514       split increased to            2  itime      188047 
   itsplit           1
- acceleration/energy drift too large   6.65257851709884     
-   22.8844181842149       split increased to            2  itime      190446 
+ acceleration/energy drift too large   3.77693976546236     
+   16.6802795730617       split increased to            2  itime      188074 
   itsplit           1
- acceleration/energy drift too large   8.78281835241006     
-   47.7720779051172       split increased to            2  itime      190662 
+ acceleration/energy drift too large   2.28985085857931     
+   19.9092710760184       split increased to            2  itime      188075 
   itsplit           1
-Momenta zeroed out, time            38199.80
- acceleration/energy drift too large   6.06788363374285     
-   31.1198983837270  Momenta zeroed out, time            37599.80
- acceleration/energy drift too large   8.81138991963914     
-   30.3265356384190       split increased to            2  itime      188510 
+ acceleration/energy drift too large   5.55050665753000     
+   18.0442800126703       split increased to            2  itime      188361 
   itsplit           1
 Momenta zeroed out, time            37799.80
 Velocities reset to random values, time            37999.80
 Momenta zeroed out, time            37999.80
- acceleration/energy drift too large   4.57078933102437     
-   14.3979838274255       split increased to            2  itime      190248 
+ acceleration/energy drift too large   7.38391060036550     
+   25.9937044584243       split increased to            2  itime      190597 
   itsplit           1
- acceleration/energy drift too large   3.33650291208901     
-   15.9351156296030       split increased to            2  itime      190271 
+ acceleration/energy drift too large   5.63382475520877     
+   21.8361293336875       split increased to            2  itime      190730 
   itsplit           1
 Momenta zeroed out, time            38199.80
- acceleration/energy drift too large   4.48403509582839     
-   13.3668977334559       split increased to            2  itime      191431 
+ acceleration/energy drift too large   5.76506550975968     
+   13.3667968408878       split increased to            2  itime      191793 
   itsplit           1
 Momenta zeroed out, time            38399.80
+ acceleration/energy drift too large   6.14338222467297     
+   27.3552728004489       split increased to            2  itime      192449 
+  itsplit           1
 Momenta zeroed out, time            38599.80
- acceleration/energy drift too large   9.09770248879472     
-   40.6084703289810       split increased to            2  itime      193378 
+Momenta zeroed out, time            38799.80
+Momenta zeroed out, time            38999.80
+Momenta zeroed out, time            39199.80
+Momenta zeroed out, time            39399.80
+ acceleration/energy drift too large   6.43944603005578     
+   26.5479153944175       split increased to            2  itime      197538 
+  itsplit           1
+ acceleration/energy drift too large   5.88018875935649     
+   19.0260817774814       split increased to            2  itime      197693 
   itsplit           1
- acceleration/energy drift too large   3.65243781954855     
-   10.2177736393630       split increased to            2  itime      1934 acceleration/energy driftMomenta zeroed out, time            38799.80
- acceleration/energy drift too large   6.38387097349265     
-   26.1493562388372       split increased to            2  itime      1944 acceleration/energy drift too large   8.66375231350014     
-   30.2278 acceleration/energy drift too large   10.0333335223128     
-   46.7822194285032       split increased to            2  itime      1950 acceleration/energy drift too large   2.29535611943459     
-   12.1644430878845       split increased to            2  itime      198371 
+ acceleration/energy drift too large   9.46825845457745     
+   31.3657998466405       split increased to            2  itime      197965 
+  itsplit           1
+ acceleration/energy drift too large   3.03766598572325     
+   13.4839432696983       split increased to            4  itime      197965 
+  itsplit           1
+Momenta zeroed out, time            39599.80
+ acceleration/energy drift too large   6.44013653878578     
+   28.5992643746112       split increased to            2  itime      198848 
   itsplit           1
 Momenta zeroed out, time            39799.80
-Velocities reset to random values, time            39999.80
-Momenta zeroed out, time            39999.80
- acceleration/energy drift too large   2.58207175651829     
-   17.7621482343237       split increased to            2  itime      200661 
+ acceleration/energy drift too large   10.1929690945238     
+   43.8556488452733       split increased to            2  itime      199417 
   itsplit           1
- acceleration/energy drift too large   4.60352299060242     
-   19.8633138143265       split increased to            2  itime      200842 
+ acceleration/energy drift too large   9.94313663963784     
+   45.6180236658760       split increased to            2  itime      199496 
   itsplit           1
- acceleration/energy drift too large   5.17068461076875     
-   18.3383232350487       split increased to            2  itime      200844 
+ acceleration/energy drift too large   8.82021129562067     
+   29.6827213440525       split increased to            2  itime      199658 
   itsplit           1
-Momenta zeroed out, time            40199.80
- acceleration/energy drift too large   4.89922407816888     
-   28.1280946764175       split increased to            2  itime      201684 
+Velocities reset to random values, time            39999.80
+Momenta zeroed out, time            39999.80
+ acceleration/energy drift too large   12.2793164322178     
+   81.3022693690819       split increased to            2  itime      200019 
   itsplit           1
+Momenta zeroed out, time            40199.80
 Momenta zeroed out, time            40399.80
-Momenta zeroed out, time            40599.80
- acceleration/energy drift too large   2.12222668186162     
-   10.9232152716152       split increased to            2  itime      203153 
+ acceleration/energy drift too large   6.49699174148913     
+   13.9762748034349       split increased to            2  itime      202107 
   itsplit           1
- acceleration/energy drift too large   2.13635048574135     
-   16.5734860367601       split increased to            2  itime      203270 
+Momenta zeroed out, time            40599.80
+ acceleration/energy drift too large   2.28473743274083     
+   10.7499990744356       split increased to            2  itime      203271 
   itsplit           1
- acceleration/energy drift too large   2.45918522841291     
-   22.6327862025132       split increased to            2  itime      203271 
+ acceleration/energy drift too large   3.22274670170806     
+   14.1145555433530       split increased to            2  itime      203902 
   itsplit           1
 Momenta zeroed out, time            40799.80
 Momenta zeroed out, time            40999.80
+ acceleration/energy drift too large   5.90319126051635     
+   13.0297207072465       split increased to            2  itime      205986 
+  itsplit           1
 Momenta zeroed out, time            41199.80
+ acceleration/energy drift too large   4.16971654397951     
+   17.8876705834069       split increased to            2  itime      206759 
+  itsplit           1
 Momenta zeroed out, time            41399.80
 Momenta zeroed out, time            41599.80
- acceleration/energy drift too large   5.15240965738892     
-   14.6687034985393       split increased to            2  itime      208580 
-  itsplit           1
 Momenta zeroed out, time            41799.80
+ acceleration/energy drift too large   7.05389995741280     
+   39.6615738134513       split increased to            2  itime      209510 
+  itsplit           1
+ acceleration/energy drift too large   4.21898152467136     
+   15.7503785461238       split increased to            2  itime      209942 
+  itsplit           1
 Velocities reset to random values, time            41999.80
 Momenta zeroed out, time            41999.80
+ acceleration/energy drift too large   9.03101102687213     
+   35.1987460566722       split increased to            2  itime      210532 
+  itsplit           1
 Momenta zeroed out, time            42199.80
- acceleration/energy drift too large   4.05369168648526     
-   16.0130138527328       split increased to            2  itime      211387 
+ acceleration/energy drift too large   4.41882572679922     
+   10.5459398890926       split increased to            2  itime      211188 
   itsplit           1
- acceleration/energy drift too large   6.21396250989186     
-   38.2418490160317       split increased to            2  itime      211465 
+ acceleration/energy drift too large   3.48871633891762     
+   12.4040757390412       split increased to            2  itime      211771 
   itsplit           1
 Momenta zeroed out, time            42399.80
- acceleration/energy drift too large   8.01265563717367     
-   18.9328701462221       split increased to            2  itime      212751 
-  itsplit           1
 Momenta zeroed out, time            42599.80
- acceleration/energy drift too large   8.47327997389011     
-   28.2750879873009       split increased to            2  itime      213144 
+ acceleration/energy drift too large   2.86422633756601     
+   10.9225119751885       split increased to            2  itime      213345 
+  itsplit           1
+ acceleration/energy drift too large   6.47240128122140     
+   15.7673624488449       split increased to            2  itime      213666 
+  itsplit           1
+ acceleration/energy drift too large   5.51775014339408     
+   17.4056279638139       split increased to            2  itime      213818 
   itsplit           1
 Momenta zeroed out, time            42799.80
+ acceleration/energy drift too large   5.26792141796721     
+   37.3521460488395       split increased to            2  itime      214266 
+  itsplit           1
 Momenta zeroed out, time            42999.80
- acceleration/energy drift too large   4.15046910380965     
-   11.0602723585455       split increased to            2  itime      215458 
+ acceleration/energy drift too large   2.36829170998227     
+   12.9594683497443       split increased to            2  itime      215330 
   itsplit           1
 Momenta zeroed out, time            43199.80
- acceleration/energy drift too large   7.66515950146752     
-   12.6854083516634       split increased to            2  itime      216205 
-  itsplit           1
- acceleration/energy drift too large   10.4541192920652     
-   52.1721785659429       split increased to            2  itime      216294 
+ acceleration/energy drift too large   3.97268631127128     
+   16.0702815743643       split increased to            2  itime      216893 
   itsplit           1
 Momenta zeroed out, time            43399.80
+ acceleration/energy drift too large   2.34693393237286     
+   11.7814415569081       split increased to            2  itime      217824 
+  itsplit           1
+ acceleration/energy drift too large   11.5132170272535     
+   78.8558350391766       split increased to            2  itime      217833 
+  itsplit           1
 Momenta zeroed out, time            43599.80
+ acceleration/energy drift too large   10.9234517659283     
+   58.0567662299483       split increased to            2  itime      218374 
+  itsplit           1
+ acceleration/energy drift too large   9.54180792400803     
+   22.1249716126825       split increased to            2  itime      218497 
+  itsplit           1
 Momenta zeroed out, time            43799.80
- acceleration/energy drift too large   2.29930487793376     
-   12.3064616110019       split increased to            2  itime      219305 
+ acceleration/energy drift too large   5.41878993434116     
+   16.7492923391816       split increased to            2  itime      219083 
   itsplit           1
 Velocities reset to random values, time            43999.80
 Momenta zeroed out, time            43999.80
- acceleration/energy drift too large   2.64444632561144     
-   14.1434652693193       split increased to            2  itime      220569 
+ acceleration/energy drift too large   2.60510679600910     
+   13.3224054686584       split increased to            2  itime      220762 
   itsplit           1
- acceleration/energy drift too large   10.9797279480158     
-   57.0974497269712       split increased to            2  itime      220951 
+ acceleration/energy drift too large   6.57789475582111     
+   27.0175736961183       split increased to            2  itime      220926 
   itsplit           1
- acceleration/energy drift too large   2.43663155450947     
-   12.5925983234014       split increased to            4  itime      220951 
-  itsplit           2
 Momenta zeroed out, time            44199.80
- acceleration/energy drift too large   4.38758982128549     
-   10.8736561577302       split increased to            2  itime      221667 
+ acceleration/energy drift too large   3.85437923552258     
+   11.7631812207224       split increased to            2  itime      221767 
   itsplit           1
 Momenta zeroed out, time            44399.80
+ acceleration/energy drift too large   3.13061145568547     
+   13.8627365143172       split increased to            2  itime      222008 
+  itsplit           1
+ acceleration/energy drift too large   6.49682370225822     
+   18.4472784660024       split increased to            2  itime      222295 
+  itsplit           1
+ acceleration/energy drift too large   4.00926228988820     
+   16.5632441955771       split increased to            2  itime      222702 
+  itsplit           1
 Momenta zeroed out, time            44599.80
- acceleration/energy drift too large   7.44217733651288     
-   25.5015755116405       split increased to            2  itime      223688 
+ acceleration/energy drift too large   4.98371729909420     
+   33.2271594159982       split increased to            2  itime      223065 
+  itsplit           1
+ acceleration/energy drift too large   4.12328430239047     
+   10.0818978037710       split increased to            2  itime      223076 
   itsplit           1
- acceleration/energy drift too large   4.77287918372148     
-   10.0842234345134       split increased to            2  itime      223965 
+ acceleration/energy drift too large   3.85593009700059     
+   11.6450081951201       split increased to            2  itime      223255 
   itsplit           1
- acceleration/energy drift too large   7.93221240685895     
-   23.0695474039556       split increased to            2  itime      223986 
+ acceleration/energy drift too large   3.86561154606195     
+   13.2268929371135       split increased to            2  itime      223281 
+  itsplit           1
+ acceleration/energy drift too large   5.45308273499450     
+   22.9471255346194       split increased to            2  itime      223980 
   itsplit           1
 Momenta zeroed out, time            44799.80
-Momenta zeroed out, time            44999.80
- acceleration/energy drift too large   5.89069235124682     
-   14.5180633314501       split increased to            2  itime      225519 
+ acceleration/energy drift too large   3.57778016590037     
+   25.6690106986826       split increased to            2  itime      224394 
   itsplit           1
- acceleration/energy drift too large   4.68293325877347     
-   10.2154025742985       split increased to            2  itime      225620 
+ acceleration/energy drift too large   2.78674007045028     
+   16.4368238754608       split increased to            2  itime      224874 
   itsplit           1
+ acceleration/energy drift too large   4.38244984290196     
+   18.1060787270949       split increased to            2  itime      224914 
+  itsplit           1
+Momenta zeroed out, time            44999.80
 Momenta zeroed out, time            45199.80
- acceleration/energy drift too large   6.89019353425152     
-   16.9701637766644       split increased to            2  itime      226601 
+ acceleration/energy drift too large   5.58302146440723     
+   12.2659049346431       split increased to            2  itime      226334 
   itsplit           1
- acceleration/energy drift too large   2.03379917964827     
-   10.4621340213367       split increased to            2  itime      226673 
+ acceleration/energy drift too large   8.84805928764663     
+   20.9294341060457       split increased to            2  itime      226401 
+  itsplit           1
+ acceleration/energy drift too large   8.01031188727863     
+   20.8463870020653       split increased to            2  itime      226497 
   itsplit           1
 Momenta zeroed out, time            45399.80
+ acceleration/energy drift too large   2.30054690463566     
+   12.6520490311390       split increased to            2  itime      227392 
+  itsplit           1
+ acceleration/energy drift too large   7.44057054465282     
+   17.1137357456300       split increased to            2  itime      227463 
+  itsplit           1
+ acceleration/energy drift too large   5.03042191290958     
+   21.3999975857448       split increased to            2  itime      227771 
+  itsplit           1
 Momenta zeroed out, time            45599.80
- acceleration/energy drift too large   7.34143067591658     
-   18.1788450469674       split increased to            2  itime      228506 
+ acceleration/energy drift too large   9.26020655194459     
+   54.8757651839664       split increased to            2  itime      228349 
   itsplit           1
+ acceleration/energy drift too large   2.05924075078738     
+   10.3995938170376       split increased to            4  itime      228349 
+  itsplit           2
 Momenta zeroed out, time            45799.80
+ acceleration/energy drift too large   10.7708776475906     
+   57.0975870953315       split increased to            2  itime      229107 
+  itsplit           1
 Velocities reset to random values, time            45999.80
 Momenta zeroed out, time            45999.80
+ acceleration/energy drift too large   10.1293516954407     
+   52.2762392817627       split increased to            2  itime      230390 
+  itsplit           1
 Momenta zeroed out, time            46199.80
- acceleration/energy drift too large   3.10390849231846     
-   19.2952677683273       split increased to            2  itime      231554 
+ acceleration/energy drift too large   3.83551679495665     
+   18.6131023092688       split increased to            2  itime      231469 
   itsplit           1
-Momenta zeroed out, time            46399.80
-Momenta zeroed out, time            46599.80
- acceleration/energy drift too large   3.76118572017586     
-   10.9945899814562       split increased to            2  itime      233104 
+ acceleration/energy drift too large   12.1905277872701     
+   60.7993074375265       split increased to            2  itime      231992 
   itsplit           1
- acceleration/energy drift too large   8.63825195936706     
-   37.3402095808086       split increased to            2  itime      233272 
+Momenta zeroed out, time            46399.80
+ acceleration/energy drift too large   3.02025041146395     
+   11.1428906188134       split increased to            2  itime      232585 
   itsplit           1
- acceleration/energy drift too large   5.92071004654019     
-   10.6275059037913       split increased to            2  itime      233801 
+ acceleration/energy drift too large   3.46997111423353     
+   18.1323348332216       split increased to            2  itime      232668 
   itsplit           1
- acceleration/energy drift too large   7.71274322559876     
-   34.1063540780707       split increased to            2  itime      233889 
+ acceleration/energy drift too large   3.61071476029453     
+   12.3453676163810       split increased to            2  itime      232890 
   itsplit           1
+Momenta zeroed out, time            46599.80
 Momenta zeroed out, time            46799.80
-Momenta zeroed out, time            46999.80
- acceleration/energy drift too large   14.7748279564310     
-   63.2847563807284       split increased to            2  itime      235348 
+ acceleration/energy drift too large   13.0221678570032     
+   59.5278174324927       split increased to            2  itime      234307 
   itsplit           1
- acceleration/energy drift too large   4.05055165626581     
-   18.0772166505453       split increased to            2  itime      235795 
+ acceleration/energy drift too large   3.24710327097911     
+   14.6432484280140       split increased to            4  itime      234307 
+  itsplit           2
+Momenta zeroed out, time            46999.80
+ acceleration/energy drift too large   3.20010727618786     
+   18.8607927324965       split increased to            2  itime      235481 
   itsplit           1
 Momenta zeroed out, time            47199.80
- acceleration/energy drift too large   5.17417983305363     
-   11.3445863933000       split increased to            2  itime      236543 
+ acceleration/energy drift too large   2.91683740252546     
+   10.3379630637787       split increased to            2  itime      236250 
   itsplit           1
-Momenta zeroed out, time            47399.80
- acceleration/energy drift too large   5.51002279047742     
-   24.5349647605420       split increased to            2  itime      237092 
+ acceleration/energy drift too large   11.8318912534086     
+   68.1993717912987       split increased to            2  itime      236286 
   itsplit           1
+ acceleration/energy drift too large   2.89076366939916     
+   16.4495051231083       split increased to            4  itime      236286 
+  itsplit           2
+Momenta zeroed out, time            47399.80
 Momenta zeroed out, time            47599.80
- acceleration/energy drift too large   5.90740036002950     
-   16.4077076757794       split increased to            2  itime      238566 
+ acceleration/energy drift too large   5.20835417377419     
+   13.8038952804756       split increased to            2  itime      238095 
   itsplit           1
 Momenta zeroed out, time            47799.80
+ acceleration/energy drift too large   5.80049987434137     
+   16.5101104262033       split increased to            2  itime      239083 
+  itsplit           1
 Velocities reset to random values, time            47999.80
 Momenta zeroed out, time            47999.80
- acceleration/energy drift too large   6.00754633710933     
-   23.7936042512031       split increased to            2  itime      240102 
+ acceleration/energy drift too large   8.08818491773846     
+   25.9210675840259       split increased to            2  itime      240312 
   itsplit           1
- acceleration/energy drift too large   5.78095068258355     
-   11.2643494053491       split increased to            2  itime      240451 
+ acceleration/energy drift too large   16.1520184616951     
+   114.241242857979       split increased to            2  itime      240377 
   itsplit           1
- acceleration/energy drift too large   3.79952141749212     
-   11.3638653307543       split increased to            2  itime      240910 
+ acceleration/energy drift too large   6.94808956101758     
+   24.0485789673507       split increased to            2  itime      240885 
   itsplit           1
-Momenta zeroed out, time            48199.80
- acceleration/energy drift too large   5.39972287855092     
-   16.7103600604644       split increased to            2  itime      241138 
+ acceleration/energy drift too large   4.10296181679032     
+   12.8762178886260       split increased to            2  itime      240951 
   itsplit           1
- acceleration/energy drift too large   4.47746960664191     
-   18.7852409173249       split increased to            2  itime      241255 
+Momenta zeroed out, time            48199.80
+ acceleration/energy drift too large   5.64186661279837     
+   10.5944614180806       split increased to            2  itime      241773 
   itsplit           1
 Momenta zeroed out, time            48399.80
- acceleration/energy drift too large   4.29458579373378     
-   16.8271635328410       split increased to            2  itime      242253 
-  itsplit           1
- acceleration/energy drift too large   8.73199909494694     
-   28.5175908690081       split increased to            2  itime      242295 
-  itsplit           1
- acceleration/energy drift too large  0.190379365771474     
-   14.1953242778733       split increased to            2  itime      242296 
-  itsplit           1
- acceleration/energy drift too large   6.72717219247916     
-   18.3811318092638       split increased to            2  itime      242440 
-  itsplit           1
- acceleration/energy drift too large   3.14208606992548     
-   14.7931969181776       split increased to            4  itime      242440 
+ acceleration/energy drift too large   8.30338583917279     
+   24.2148977012872       split increased to            2  itime      242788 
   itsplit           1
 Momenta zeroed out, time            48599.80
-Momenta zeroed out, time            48799.80
- acceleration/energy drift too large   5.15216990340596     
-   14.0660433680708       split increased to            2  itime      244086 
+ acceleration/energy drift too large   9.31706115590537     
+   43.9952072911795       split increased to            2  itime      243882 
   itsplit           1
+Momenta zeroed out, time            48799.80
 Momenta zeroed out, time            48999.80
- acceleration/energy drift too large   1.21612360994569     
-   10.7247467373198       split increased to            2  itime      245111 
+ acceleration/energy drift too large   4.61207568719490     
+   29.2368841162053       split increased to            2  itime      245212 
   itsplit           1
- acceleration/energy drift too large   4.86618135987583     
-   13.1093875935041       split increased to            2  itime      245423 
+ acceleration/energy drift too large   5.18664418644353     
+   27.4027568522074       split increased to            2  itime      245826 
+  itsplit           1
+ acceleration/energy drift too large   4.34038011760160     
+   19.2833581555252       split increased to            2  itime      245839 
   itsplit           1
 Momenta zeroed out, time            49199.80
- acceleration/energy drift too large   5.46578521937287     
-   14.0187025712458       split increased to            2  itime      246719 
+ acceleration/energy drift too large   3.72658292865455     
+   18.0209460065594       split increased to            2  itime      246911 
   itsplit           1
 Momenta zeroed out, time            49399.80
+ acceleration/energy drift too large   8.46336613243547     
+   32.4105153011923       split increased to            2  itime      247435 
+  itsplit           1
 Momenta zeroed out, time            49599.80
 Momenta zeroed out, time            49799.80
 Velocities reset to random values, time            49999.80
 Momenta zeroed out, time            49999.80
+ acceleration/energy drift too large   13.4546407470036     
+   92.5422860045524       split increased to            2  itime      250310 
+  itsplit           1
 Momenta zeroed out, time            50199.80
+ acceleration/energy drift too large   4.69270364948552     
+   22.3011088288583       split increased to            2  itime      251561 
+  itsplit           1
+ acceleration/energy drift too large   11.6303517288117     
+   61.4079906684242       split increased to            2  itime      251634 
+  itsplit           1
+ acceleration/energy drift too large   2.64099152494219     
+   13.1193723362888       split increased to            4  itime      251634 
+  itsplit           2
+ acceleration/energy drift too large   4.35673340196473     
+   10.5796334796453       split increased to            2  itime      251745 
+  itsplit           1
 Momenta zeroed out, time            50399.80
- acceleration/energy drift too large   3.09116141568595     
-   14.7061122458737       split increased to            2  itime      252373 
+ acceleration/energy drift too large   4.59009505925199     
+   24.9290542434718       split increased to            2  itime      252211 
+  itsplit           1
+ acceleration/energy drift too large   2.54693643304721     
+   10.7591408951298       split increased to            2  itime      252753 
   itsplit           1
 Momenta zeroed out, time            50599.80
- acceleration/energy drift too large   2.53705048522138     
-   10.3816971287317       split increased to            2  itime      253332 
+ acceleration/energy drift too large   9.55872330478669     
+   36.1243767578627       split increased to            2  itime      253024 
   itsplit           1
- acceleration/energy drift too large   6.43852087166315     
-   43.2590219701916       split increased to            2  itime      253662 
+ acceleration/energy drift too large   1.75681307555797     
+   12.7602805714168       split increased to            2  itime      253025 
+  itsplit           1
+ acceleration/energy drift too large   6.13518836859364     
+   15.6470094594219       split increased to            2  itime      253905 
   itsplit           1
 Momenta zeroed out, time            50799.80
 Momenta zeroed out, time            50999.80
 Momenta zeroed out, time            51199.80
- acceleration/energy drift too large   11.1586127317767     
-   57.7963289513508       split increased to            2  itime      256258 
+ acceleration/energy drift too large   3.40614772940673     
+   11.3153399262202       split increased to            2  itime      256085 
+  itsplit           1
+ acceleration/energy drift too large   5.75428763739821     
+   31.8795449122112       split increased to            2  itime      256741 
   itsplit           1
 Momenta zeroed out, time            51399.80
-Momenta zeroed out, time            51599.80
- acceleration/energy drift too large   4.34309982593942     
-   23.8320304225056       split increased to            2  itime      258386 
+ acceleration/energy drift too large   5.34283099200385     
+   25.9836284127820       split increased to            2  itime      257272 
+  itsplit           1
+ acceleration/energy drift too large   4.95685471016055     
+   27.9677978698812       split increased to            2  itime      257357 
   itsplit           1
- acceleration/energy drift too large   7.75004478070228     
-   20.9766786696633       split increased to            2  itime      258400 
+ acceleration/energy drift too large   6.70831328257633     
+   28.6783626086689       split increased to            2  itime      257422 
   itsplit           1
- acceleration/energy drift too large   5.28686205910499     
-   15.4981874308352       split increased to            2  itime      258455 
+ acceleration/energy drift too large   6.80762214935838     
+   65.0104193930046       split increased to            2  itime      257474 
   itsplit           1
- acceleration/energy drift too large   9.31590649190365     
-   38.7572115279074       split increased to            2  itime      258672 
+ acceleration/energy drift too large   6.08658376362605     
+   36.1615289316805       split increased to            2  itime      257875 
   itsplit           1
+Momenta zeroed out, time            51599.80
 Momenta zeroed out, time            51799.80
- acceleration/energy drift too large   5.70708231500969     
-   21.6499776431576       split increased to            2  itime      259938 
+ acceleration/energy drift too large   10.2836781626886     
+   46.9253592506215       split increased to            2  itime      259087 
+  itsplit           1
+ acceleration/energy drift too large   4.54070342323890     
+   34.8753319880121       split increased to            2  itime      259177 
+  itsplit           1
+ acceleration/energy drift too large   6.99467646510053     
+   27.5168181617437       split increased to            2  itime      259192 
   itsplit           1
 Velocities reset to random values, time            51999.80
 Momenta zeroed out, time            51999.80
- acceleration/energy drift too large   2.98731937901503     
-   10.2172720165158       split increased to            2  itime      260041 
+ acceleration/energy drift too large   2.80726559387305     
+   13.5384728749120       split increased to            2  itime      260989 
   itsplit           1
 Momenta zeroed out, time            52199.80
-Momenta zeroed out, time            52399.80
- acceleration/energy drift too large   6.91031736538586     
-   13.8118682017132       split increased to            2  itime      262150 
+ acceleration/energy drift too large   5.33332344955576     
+   18.3047583949344       split increased to            2  itime      261043 
   itsplit           1
- acceleration/energy drift too large   10.6374496868154     
-   42.9109560834846       split increased to            2  itime      262569 
+ accelerati acceleration/energy drift too large   2.16571874381503     
+   10.6851898747929       split increased to            2  itime      259230 
   itsplit           1
-Momenta zeroed out, time            52599.80
- acceleration/energy drift too large   4.17744943192550     
-   18.0373823668887       split increased to            2  itime      263022 
+ acceleration/energy drift too large   4.92463772034302     
+   10.6441044471795       split increased to            2  itime      259430 
+  itsplit  Momenta zeroed out, time            52399.80
+ acceleration/energy drift too large   10.9872309091166     
+   58.2165428346990       split increased to            2  itime      262037 
   itsplit           1
- acceleration/energy drift too large   9.50133661289881     
-   35.7812149766968       split increased to            2  itime      263365 
+ acceleration/energy drift too large   3.80110196754459     
+   10.5126804624802       split increased to            2  itime      262108 
   itsplit           1
- acceleration/energy drift too large   6.74327909642944     
-   13.4483077522682       split increased to            2  itime      263687 
+ acceleration/energy drift too large   6.53036873152505     
+   15.4768 acceleration/energy drift too large   2.43360637897030     
+   10.2542094338033       split increased to            2  itime      260247 
   itsplit           1
- acceleration/energy drift too large   9.12378170931730     
-   32.7427670877964       split increased to            2  itime      263765 
+ acceleration/energy drift too large   4.71794910954846     
+   19.5188098912346       spl acceleration/energy drift too large   7.45378459097117     
+   25.2319530661801       split increased to            2  itime      262618 
   itsplit           1
- acceleration/energy drift too large   8.41985868082154     
-   35.2700285787580       split increased to            2  itime      263993 
+Momenta zeroed out, time            52599.80
+ acceleration/energy drift too large   6.00377616964956     
+   18.2666723141837       split increased to            2  itime      263262 
   itsplit           1
 Momenta zeroed out, time            52799.80
- acceleration/energy drift too large   4.63715300807520     
-   15.3108546276213       split increased to            2  itime      264669 
+ acceleration/energy drift too large   3.95125562802556     
+   20.9254258985938       split increased to            2  itime      264550 
   itsplit           1
-Momenta zeroed out, time            52999.80
- acceleration/energy drift too large   5.11633789786827     
-   18.1436754759404       split increased to            2  itime      265102 
+ acceleration/energy drift too large   4.29893623811568     
+   16.8436252514698       split increased to            2  itime      264683 
   itsplit           1
-Momenta zeroed out, time            53199.80
- acceleration/energy drift too large   1.92175846238102     
-   10.8944995280333       split increased to            2  itime      266819 
+Momenta zeroed out, time            52999.80
+ acceleration/energy drift too large   13.0605832920447     
+   91.5236549902210       split increased to            2  itime      265462 
   itsplit           1
-Momenta zeroed out, time            53399.80
- acceleration/energy drift too large   7.64504684988057     
-   24.6497269942517       split increased to            2  itime      267561 
+ acceleration/energy drift too large   3.15350313429193     
+   21.2743433334288       split increased to            2  itime      265783 
   itsplit           1
-Momenta zeroed out, time            53599.80
- acceleration/energy drift too large   4.22110327548010     
-   11.8987581155351       split increased to            2  itime      268544 
+Momenta zeroed out, time            53199.80
+ acceleration/energy drift too large   9.30234551169765     
+   32.8521333232029       split increased to            2  itime      266219 
+  itsplit           1
+ acceleration/energy drift too large   1.87439521530772     
+   13.8300960604963       split increased to            2  itime      266220 
+  i acceleration/energy drift too large   4.48905217609145     
+   16.8548858027401       spl acceleration/energy drift too large   8.80278594785877     
+   22.1218576682821       spl acceleration/energy drift too large   3.96627680341793     
+   10.2172Momenta zeroed out, time            52999.80
+Momenta zeroed out, time            53199.80
+ acceleration/energy drift too large   5.96865737992774     
+   14.6775716906422       split increased to            2  itime      266556 
   itsplit           1
-Momenta zeroed out, time            53799.80
+ acceleration/energy drift too large   3.77391998854771     
+   14.4294257204721       splMomenta zeroed out, time            53799.80
 Velocities reset to random values, time            53999.80
 Momenta zeroed out, time            53999.80
- acceleration/energy drift too large   3.35012080627619     
-   15.1507286107526       split increased to            2  itime      270436 
+ acceleration/energy drift too large   5.44324374773105     
+   10.8759585071136       split increased to            2  itime      270166 
   itsplit           1
- acceleration/energy drift too large   5.47943109299615     
-   24.4595016615946       split increased to            2  itime      270531 
+Momenta zer acceleration/energy drift too lar acceleration/energy drift too large   7.26239424008660     
+   25.1426194383699       split increased to            2  itime      271483 
   itsplit           1
-Momenta zeroed out, time            54199.80
- acceleration/energy drift too large   7.53802220895059     
-   33.4377892412087       split increased to            2  itime      271783 
+Momenta zerVelocities reset to random values,Momenta zeroed out, time            54599.80
+Momenta zeroed out, time            54799.80
+ acceleration/energy drift too large   5.95287244711420     
+   39.5597410583222       split increased to            2  itime      274278 
   itsplit           1
- acceleration/energy drift too large   7.09764675623079     
-   24.8643679428815       split increased to            2  itime      271830 
+ acceleration/energy drift too large   1.44339391231711     
+   10.0305234105603       split increased to            4  itime      274278 
+  itsplit           2
+Momenta zeroed out, time            54999.80
+Momenta zeroed out, time            55199.80
+Momenta zeroed out, time            55399.80
+ acceleration/energy drift too large   5.64232214099778     
+   22.8894696701463       split increased to            2  itime      277642 
   itsplit           1
-Momenta zeroed out, time            54399.80
- acceleration/energy drift too large   5.75462758749896     
-   14.1273272983834       split increased to            2  itime      272924 
+Momenta zeroed out, time            55599.80
+ acceleration/energy drift too large   4.98665980130239     
+   26.0591108631412       split increased to            2  itime      278036 
   itsplit           1
-Momenta zeroed out, time            54599.80
-Momenta zeroed out, time            54799.80
- acceleration/energy drift too large   7.31955112220294     
-   22.9637418611492       split increased to            2  itime      274288 
+ acceleration/energy drift too large   4.11546234428102     
+   11.6682251649719       split increased to            2  itime      278185 
   itsplit           1
- acceleration/energy drift too large   3.11202459602146     
-   10.5243769530965       split increased to            2  itime      274295 
+ acceleration/energy drift too large   5.57231399684831     
+   21.2989865139675       split increased to            2  itime      278826 
   itsplit           1
- acceleration/energy drift too large   4.71761944988360     
-   27.3644782515786       split increased to            2  itime      274766 
+Momenta zeroed out, time            55799.80
+ acceleration/energy drift too large   4.85074985931962     
+   13.0874604307448       split increased to            2  itime      279060 
   itsplit           1
-Momenta zeroed out, time            54999.80
- acceleration/energy drift too large   8.94196853639728     
-   32.4893615416358       split increased to            2  itime      275373 
+ acceleration/energy drift too large   9.64520726347527     
+   43.8934108632814       split increased to            2  itime      279296 
   itsplit           1
-Momenta zeroed out, time            55199.80
-Momenta zeroed out, time            55399.80
- acceleration/energy drift too large   12.2453677061791     
-   68.6139437234489       split increased to            2  itime      277473 
+ acceleration/energy drift too large   5.02179370077795     
+   14.3282874207050       split increased to            2  itime      279301 
   itsplit           1
-Momenta zeroed out, time            55599.80
- acceleration/energy drift too large   6.89373790763213     
-   21.2245819727234       split increased to            2  itime      278147 
+ acceleration/energy drift too large   5.00185469907931     
+   12.3025469252546       split increased to            2  itime      279761 
   itsplit           1
- acceleration/energy drift too large   4.41488796921163     
-   17.8679911966934       split increased to            2  itime      278211 
+ acceleration/energy drift too large   3.12506365664016     
+   14.9298039668553       split increased to            2  itime      279887 
   itsplit           1
- acceleration/energy drift too large   5.42167678748485     
-   18.9185377247212       split increased to            2  itime      278665 
+Velocities reset to random values, time            55999.80
+Momenta zeroed out, time            55999.80
+ acceleration/energy drift too large   3.12126403286555     
+   16.2003494467590       split increased to            2  itime  Momenta zeroed out, time            55599.80
+ acceleration/energy drift too large   5.76228651600943     
+   15.4441531134139       split increased to            2  itime      278660 
   itsplit           1
 Momenta zeroed out, time            55799.80
- acceleration/energy drift too large   3.86699231917881     
-   16.3460555447768       split increased to            2  itime      279957 
+ acceleration/energy drift too large   5.10442103202265     
+   14.7375346531722       split increased to            2  itime      279045 
   itsplit           1
 Velocities reset to random values, time            55999.80
 Momenta zeroed out, time            55999.80
 Momenta zeroed out, time            56199.80
 Momenta zeroed out, time            56399.80
-Momenta zeroed out, time            56599.80
- acceleration/energy drift too large   5.02825854931502     
-   17.3786902596130       split increased to            2  itime      283285 
+ acceleration/energy drift too large   4.26379598500718     
+   12.9911381733288       split increased to            2  itime      282128 
   itsplit           1
- acceleration/energy drift too large   12.6983861540563     
-   74.8189121849718       split increased to            2  itime      283794 
+ acceleration/energy drift too large   15.3233241401160     
+   92.5260142776772       split increased to            2  itime      282971 
   itsplit           1
-Momenta zeroed out, time            56799.80
- acceleration/energy drift too large   6.41447287661067     
-   49.3597812700899       split increased to            2  itime      284140 
+Momenta zeroed out, time            56599.80
+ acceleration/energy drift too large   5.15859766206721     
+   17.1633366015124       split increased to            2  itime      283410 
   itsplit           1
- acceleration/energy drift too large   1.80369180781729     
-   10.4519893784296       split increased to            2  itime      284141 
+Momenta zeroed out, time            56799.80
+ acceleration/energy drift too large   3.90063964466930     
+   11.7147036207936       split increased to            2  itime      284326 
   itsplit           1
 Momenta zeroed out, time            56999.80
+ acceleration/energy drift too large   12.7604338776935     
+   68.8760160536848       split increased to            2  itime      285410 
+  itsplit           1
+ acceleration/energy drift too large   4.17001738003022     
+   17.5309928317148       split increased to            2  itime      285809 
+  itsplit           1
 Momenta zeroed out, time            57199.80
 Momenta zeroed out, time            57399.80
- acceleration/energy drift too large   3.11228905586013     
-   11.5430321074273       split increased to            2  itime      287247 
-  itsplit           1
- acceleration/energy drift too large   2.23942802092032     
-   11.3001532462741       split increased to            2  itime      287678 
+ acceleration/energy drift too large   13.3137615224457     
+   93.2374681046282       split increased to            2  itime      287768 
   itsplit           1
 Momenta zeroed out, time            57599.80
 Momenta zeroed out, time            57799.80
- acceleration/energy drift too large   2.42739974901951     
-   18.2382547690269       split increased to            2  itime      289365 
+ acceleration/energy drift too large   2.64510298078030     
+   16.4878007796256       split increased to            2  itime      289024 
   itsplit           1
-Velocities reset to random values, time            57999.80
-Momenta zeroed out, time            57999.80
- acceleration/energy drift too large   2.21517128734213     
-   13.5798745524282       split increased to            2  itime      290015 
+ acceleration/energy drift too large   5.37803883740354     
+   13.0847929281429       split increased to            2  itime      289758 
   itsplit           1
- acceleration/energy drift too large   3.06018695994783     
-   11.9241697326742       split increased to            2  itime      290307 
+ acceleration/energy drift too large   7.78046157603613     
+   16.9265907992303       split increased to            2  itime      289878 
   itsplit           1
+Velocities reset to random values, time            57999.80
+Momenta zeroed out, time            57999.80
 Momenta zeroed out, time            58199.80
- acceleration/energy drift too large   8.25971512380521     
-   22.1949397891001       split increased to            2  itime      291742 
-  itsplit           1
- acceleration/energy drift too large   4.55333262489243     
-   17.2290780259208       split increased to            2  itime      291841 
-  itsplit           1
 Momenta zeroed out, time            58399.80
- acceleration/energy drift too large   4.55491566837720     
-   25.2013973548914       split increased to            2  itime      292445 
+ acceleration/energy drift too large   3.92600015363359     
+   11.7568356356016       split increased to            2  itime      292456 
   itsplit           1
 Momenta zeroed out, time            58599.80
- acceleration/energy drift too large   4.94767398455953     
-   18.3111254440069       split increased to            2  itime      293405 
+ acceleration/energy drift too large   2.85611771637492     
+   10.8288060797651       split increased to            2  itime      293007 
   itsplit           1
- acceleration/energy drift too large   3.87544575208905     
-   13.9110777992462       split increased to            2  itime      293873 
+ acceleration/energy drift too large   2.90114298149011     
+   19.0255882155322       split increased to            2  itime      293045 
   itsplit           1
- acceleration/energy drift too large   3.55882520229582     
-   17.0887013324892       split increased to            2  itime      293895 
+ acceleration/energy drift too large   5.67642775052875     
+   11.2236935194578       split increased to            2  itime      293405 
   itsplit           1
-Momenta zeroed out, time            58799.80
-Momenta zeroed out, time            58999.80
- acceleration/energy drift too large   4.75460839860492     
-   32.8744182802457       split increased to            2  itime      295080 
+ acceleration/energy drift too large   3.55178523535778     
+   22.4542658658939       split increased to            2  itime      293780 
   itsplit           1
- acceleration/energy drift too large   4.92950337646575     
-   10.2832446293169       split increased to            2  itime      295137 
+ acceleration/energy drift too large   4.75093820257244     
+   12.1195735734704       split increased to            2  itime      2939 acceleration/energy drift too large   13.3729389836250     
+   80.6422711759956       split increased to            2  itime      296938 
   itsplit           1
-Momenta zeroed out, time            59199.80
 Momenta zeroed out, time            59399.80
- acceleration/energy drift too large   9.88736134489549     
-   23.0852632158901       split increased to            2  itime      297279 
+Momenta zeroed out, time            59599.80
+ acceleration/energy drift too large   3.22231539203495     
+   20.3970277863110       split increased to            2  itime      298452 
   itsplit           1
- acceleration/energy drift too large   5.64607143868035     
-   13.3853897753481       split increased to            2  itime      297997 
+ acceleration/energy drift too large   6.10866169874668     
+   12.7763 acceleration/energy drift too large   2.30853084383314     
+   13.8896546266501       spl acceleration/energy drift too large   7.19890439660189     
+   20.1373592377037       split increased to            2  itime      298937 
   itsplit           1
-Momenta zeroed out, time            59599.80
 Momenta zeroed out, time            59799.80
- acceleration/energy drift too large   5.02387773571907     
-   30.7107008544683       split increased to            2  itime      299385 
-  itsplit           1
 Velocities reset to random values, time            59999.80
 Momenta zeroed out, time            59999.80
-Momenta zeroed out, time            60199.80
- acceleration/energy drift too large   4.07642007992192     
-   19.0252061943995       split increased to            2  itime      301774 
+ acceleration/energy drift too large   7.47036374593832     
+   17.6910002818990       split increased to            2  itime      300799 
   itsplit           1
-Momenta zeroed out, time            60399.80
-Momenta zeroed out, time            60599.80
- acceleration/energy drift too large   6.52443477366123     
-   11.8942096696185       split increased to            2  itime      303893 
-  itsplit           1
- acceleration/energy drift too large   3.98003504627689     
-   13.0213098044753       split increased to            2  itime      303927 
+Momenta zer acceleration/energy drift too larMomenta zeroed out, time            60399.80
+ acceleration/energy drift too large   4.41983954101561     
+   12.2897057136719       split increased to            2  itime      302924 
   itsplit           1
+Momenta zeroed out, time            60599.80
 Momenta zeroed out, time            60799.80
- acceleration/energy drift too large   4.29597054510131     
-   16.9034304771357       split increased to            2  itime      304345 
-  itsplit           1
- acceleration/energy drift too large   5.22621792862492     
-   28.0778816082088       split increased to            2  itime      304722 
+ acceleration/energy drift too large   5.55481785271668     
+   14.4771488879404       split increased to            2  itime      304002 
   itsplit           1
 Momenta zeroed out, time            60999.80
+ acceleration/energy drift too large   5.09530774894752     
+   26.1921753577496       split increased to            2  itime      305605 
+  itsplit           1
 Momenta zeroed out, time            61199.80
- acceleration/energy drift too large   1.86424202573191     
-   11.3021824723469       split increased to            2  itime      306471 
+ acceleration/energy drift too large   13.8878063437079     
+   85.6408952245817       split increased to            2  itime      306628 
   itsplit           1
 Momenta zeroed out, time            61399.80
- acceleration/energy drift too large   4.26770074425726     
-   20.3294507204801       split increased to            2  itime      307043 
-  itsplit           1
- acceleration/energy drift too large   6.80946749142847     
-   31.1570158472513       split increased to            2  itime      307281 
-  itsplit           1
- acceleration/energy drift too large   6.35209733988716     
-   18.6830449807758       split increased to            2  itime      307609 
-  itsplit           1
- acceleration/energy drift too large   2.42230161204576     
-   15.5507050125380       split increased to            2  itime      307749 
+ acceleration/energy drift too large   7.93337642712819     
+   12.7612903980509       split increased to            2  itime      307998 
   itsplit           1
 Momenta zeroed out, time            61599.80
- acceleration/energy drift too large   12.3001155545269     
-   60.5402911377748       split increased to            2  itime      308172 
-  itsplit           1
- acceleration/energy drift too large   5.58891130427412     
-   24.1340500306296       split increased to            2  itime      308604 
-  itsplit           1
- acceleration/energy drift too large   2.82366651119220     
-   10.3600000464813       split increased to            2  itime      308653 
-  itsplit           1
- acceleration/energy drift too large   3.21134251896420     
-   11.8879150211208       split increased to            2  itime      308969 
-  itsplit           1
-Momenta zeroed out, time            61799.80
- acceleration/energy drift too large   6.91892862422077     
-   24.3675536121177       split increased to            2  itime      309863 
+ acceleration/energy drift acceleration/energy drift too large   4.54879699769636     
+   11.9224498344335       split increased to            2  itime      3059 acceleration/energy drift too large   12.4713338907527     
+   52.6704Momenta zeroed out, time            61399.80
+ acceleration/energy drift too large   5.58405546812740     
+   35.6233695815372       split increased to            2  itime      307018 
   itsplit           1
-Velocities reset to random values, time            61999.80
-Momenta zeroed out, time            61999.80
- acceleration/energy drift too large   4.15189432315348     
-   18.2596043552478       split increased to            2  itime      310893 
+ acceleration/energy drift too large   14.4384755730110     
+   83.4019205536068       splVelocities reset to random values, time            61999.80
+Momenta zerMomenta zeroed out, time          Momenta zer acceleration/energy drift too large   5.63495244254427     
+   35.4818115724206       split increased to            2  itime      308760 
   itsplit           1
-Momenta zeroed out, time            62199.80
- acceleration/energy drift too large   3.10842608495036     
-   13.0270797079190       split increased to            2  itime      311519 
-  itsplit           1
- acceleration/energy drift too large   4.62159524011451     
-   21.2509981829972       split increased to            2  itime      311802 
-  itsplit           1
- acceleration/energy drift too large   4.13324449617897     
-   11.8895258599990       split increased to            2  itime      311906 
+ acceleration/energy drift too lar acceleration/energy drift too large   13.2158990075354     
+   64.1589876748160       split increased to            2  itime      311944 
   itsplit           1
 Momenta zeroed out, time            62399.80
- acceleration/energy drift too large   4.15764004540407     
-   15.2905999951292       split increased to            2  itime      312712 
+ acceleration/energy drift too large   4.36342108595452     
+   15.5640528195368       split increased to            2  itime      312693 
   itsplit           1
 Momenta zeroed out, time            62599.80
-Momenta zeroed out, time            62799.80
- acceleration/energy drift too large   7.12708143708404     
-   36.2453552776193       split increased to            2  itime      314146 
-  itsplit           1
- acceleration/energy drift too large   2.74276097959878     
-   13.8289106376959       split increased to            2  itime      314440 
+ acceleration/energy drift too large   4.45679946972690     
+   11.0701193547422       split increased to            2  itime      313557 
   itsplit           1
+Momenta zeroed out, time            62799.80
 Momenta zeroed out, time            62999.80
- acceleration/energy drift too large   6.34598756183210     
-   12.7436323859730       split increased to            2  itime      315453 
-  itsplit           1
- acceleration/energy drift too large   4.80312167927752     
-   26.9415070053236       split increased to            2  itime      315716 
+ acceleration/energy drift too large   4.26147197170707     
+   11.9215702838588       split increased to            2  itime      315913 
   itsplit           1
 Momenta zeroed out, time            63199.80
- acceleration/energy drift too large   3.35719624221823     
-   12.4904213057227       split increased to            2  itime      316286 
-  itsplit           1
- acceleration/energy drift too large   5.41598655888024     
-   37.2890291602865       split increased to            2  itime      316305 
+ acceleration/energy drift too large   2.50846240483476     
+   16.6351256666437       split increased to            2  itime      316581 
   itsplit           1
 Momenta zeroed out, time            63399.80
- acceleration/energy drift too large   3.33822279032098     
-   13.3337922242807       split increased to            2  itime      317579 
+ acceleration/energy drift too large   8.06149412327843     
+   31.5591414836244       split increased to            2  itime      317015 
   itsplit           1
- acceleration/energy drift too large   1.90778653133512     
-   11.1923926220113       split increased to            2  itime      317722 
+ acceleration/energy drift too large   3.78387247017999     
+   13.9746174955392       split increased to            2  itime      317972 
   itsplit           1
- acceleration/energy drift too large   5.43648691053443     
-   16.8987591049259       split increased to            2  itime      317772 
+ acceleration/energy drift too large   16.0440992749591     
+   85.5944598934964       split increased to            2  itime      317991 
   itsplit           1
 Momenta zeroed out, time            63599.80
- acceleration/energy drift too large   11.3833106188877     
-   52.7872320427720       split increased to            2  itime      318410 
+ acceleration/energy drift too large   4.61102712612169     
+   11.8284453840717       split increased to            2  itime      318201 
   itsplit           1
 Momenta zeroed out, time            63799.80
- acceleration/energy drift too large   3.07671134714025     
-   22.5246073150722       split increased to            2  itime      319040 
-  itsplit           1
- acceleration/energy drift too large   6.24943226891403     
-   23.1625664442563       split increased to            2  itime      319730 
+ acceleration/energy drift too large   3.32409921714212     
+   21.1414311878919       split increased to            2  itime      319655 
   itsplit           1
 Velocities reset to random values, time            63999.80
 Momenta zeroed out, time            63999.80
- acceleration/energy drift too large   7.40720318339047     
-   17.0129535044689       split increased to            2  itime      320503 
+ acceleration/energy drift too large   4.85126020597567     
+   26.4912293278922       split increased to            2  itime      320013 
   itsplit           1
- acceleration/energy drift too large   3.98470154828976     
-   14.7048112686561       split increased to            2  itime      320929 
+ acceleration/energy drift too large   6.28280316386809     
+   13.0840693260580       split increased to            2  itime      320152 
   itsplit           1
-Momenta zeroed out, time            64199.80
-Momenta zeroed out, time            64399.80
-Momenta zeroed out, time            64599.80
- acceleration/energy drift too large   5.07024131521097     
-   31.4523359684651       split increased to            2  itime      323042 
-  itsplit           1
- acceleration/energy drift too large   5.81280961928487     
-   24.2278660612064       split increased to            2  itime      323043 
-  itsplit           1
- acceleration/energy drift too large   3.12927055433179     
-   20.5217203732583       split increased to            2  itime      323349 
-  itsplit           1
- acceleration/energy drift too large   5.09802400846604     
-   11.8148500746414       split increased to            2  itime      323470 
+ acceleration/energy drift too large   5.15891852542939     
+   26.3344349286580       split increased to            2  itime      320982 
   itsplit           1
- acceleration/energy drift too large   4.31330880910635     
-   19.7491600216388       split increased to            2  itime      323500 
-  itsplit           1
- acceleration/energy drift too large   3.27656316501891     
-   10.0736668232260       split increased to            2  itime      323623 
-  itsplit           1
- acceleration/energy drift too large   3.16987581972204     
-   11.2392395819098       split increased to            2  itime      323728 
-  itsplit           1
- acceleration/energy drift too large   6.28038095644646     
-   46.6244872166920       split increased to            2  itime      323761 
+Momenta zeroed out, time            64199.80
+ acceleration/energy drift too large   4.30050660554072     
+   10.0901217281105       split increased to            2  itime   acceleration/energy drift too larMomenta zeroed out, time            64399.80
+ acceleration/energy drift too large   8.55110625615109     
+   31.3919640993424       split increased to            2  itime   acceleration/energy drift too lar acceleration/energy drift too large   7.82282300174270     
+   34.9249452301361       split increased to            2  itime  Velocities reset to random values,Momenta zeroed out, time            64599.80
+ acceleration/energy drift too large   2.54613329722869     
+   11.2581497684297       split increased to            2  itime      323947 
   itsplit           1
- acceleration/energy drift too large   3.30185383540101     
-   23.2676575344471       split increased to            2  itime      323886 
+Momenta zeroed out, time            64799.80
+Momenta zeroed out, time            64999.80
+Momenta zeroed out, time            65199.80
+Momenta zeroed out, time            65399.80
+ acceleration/energy drift too large   8.29793519738822     
+   24.1575929013917       split increased to            2  itime      327490 
   itsplit           1
- acceleration/energy drift too large   5.13076970619055     
-   17.1406931381422       split increased to            2  itime      323994 
+ acceleration/energy drift too large   12.9210785104728     
+   59.9568136189844       split increased to            2  itime      327756 
   itsplit           1
-Momenta zeroed out, time            64799.80
- acceleration/energy drift too large   5.47653499862842     
-   16.2711384135872       split increased to            2  itime      324124 
+ acceleration/energy drift too large   3.38849786453722     
+   15.3735308795759       split increased to            4  itime      327756 
   itsplit           1
- acceleration/energy drift too large   9.85753638277603     
-   54.1378156597783       split increased to            2  itime      324592 
+Momenta zeroed out, time            65599.80
+ acceleration/energy drift too large   2.53107752740708     
+   17.8576742599706       split increased to            2  itime      328080 
   itsplit           1
-Momenta zeroed out, time            64999.80
- acceleration/energy drift too large   6.89910445042107     
-   13.2309493713669       split increased to            2  itime      325754 
+Momenta zeroed out, time            65799.80
+ acceleration/energy drift too large   4.75401747568712     
+   27.1915210954565       split increased to            2  itime      329545 
   itsplit           1
-Momenta zeroed out, time            65199.80
- acceleration/energy drift too large   3.98580143060454     
-   10.0070701974732       split increased to            2  itime      326255 
+ acceleration/energy drift too large   5.57694856527536     
+   14.1346779386011       split increased to            2  itime      329628 
   itsplit           1
- acceleration/energy drift too large   7.61963293285687     
-   25.9139058301326       split increased to            2  itime      326654 
+ acceleration/energy drift too large   4.88954186631069     
+   25.8151851579027       split increased to            2  itime      329629 
   itsplit           1
-Momenta zeroed out, time            65399.80
- acceleration/energy drift too large   6.31689341073605     
-   13.8098736337220       split increased to            2  itime      327415 
+ acceleration/energy drift too large   4.54264581111102     
+   22.5647 acceleration/energy drift too large   8.47838543760298     
+   36.1485247053550       split increased to            2  itime      327414 
   itsplit           1
 Momenta zeroed out, time            65599.80
-Momenta zeroed out, time            65799.80
- acceleration/energy drift too large   3.45252083857693     
-   13.5400833655631       split increased to            2  itime      329420 
+ acceleration/energy drift too large   2.16274553468995     
+   10.1110151774526       split increased to            2  itime      328061 
   itsplit           1
- acceleration/energy drift too large   7.07492696467483     
-   23.4096610980242       split increased to            2  itime      329678 
+Momenta zeroed out, time            65799.80
+ acceleration/energy drift too large   9.73644340365082     
+   25.4997770659682       split increased to            2  itime      329462 
   itsplit           1
 Velocities reset to random values, time            65999.80
 Momenta zeroed out, time            65999.80
- acceleration/energy drift too large   6.49564678947281     
-   27.2764206262489       split increased to            2  itime      330561 
+ acceleration/energy drift too large   3.77371641200344     
+   25.7700926651251       split increased to            2  itime      330539 
   itsplit           1
-Momenta zeroed out, time            66199.80
-Momenta zeroed out, time            66399.80
- acceleration/energy drift too large   4.92226960099682     
-   17.4267058350949       split increased to            2  itime      332908 
+ acceleration/energy drift too large   1.80457689412797     
+   13.1068051702641       split increased to            2  itime      3305Momenta zeroed out, time            66799.80
+ acceleration/energy drift too large   6.11916003476420     
+   24.2508698805594       split increased to            2  itime      334211 
   itsplit           1
-Momenta zeroed out, time            66599.80
- acceleration/energy drift too large   9.04582850650477     
-   38.9625782147584       split increased to            2  itime      333997 
-  itsplit           1
-Momenta zeroed out, time            66799.80
- acceleration/energy drift too large   5.09729644098047     
-   18.1369936364893       split increased to            2  itime      334828 
+ acceleration/energy drift too large   6.64151378853376     
+   26.9738061079471       split increased to            2  itime      334431 
   itsplit           1
 Momenta zeroed out, time            66999.80
-Momenta zeroed out, time            67199.80
- acceleration/energy drift too large   5.47465060496469     
-   20.4190396401060       split increased to            2  itime      336657 
+ acceleration/energy drift too large   6.95717940509040     
+   34.7653618742312       split increased to            2  itime      335475 
+  itsplit           1
+ acceleration/energy drift too large   11.4516273304790     
+   58.0008300852949       split increased to            2  itime      335891 
+  itsplit           1
+ acceleration/energy drift too large   2.65780429258632     
+   12.5552734770902       split increased to            4  itime      335891 
   itsplit           1
+Momenta zeroed out, time            67199.80
 Momenta zeroed out, time            67399.80
- acceleration/energy drift too large   4.17165926845450     
-   14.2277000183378       split increased to            2  itime      337590 
+ acceleration/energy drift too large   5.30789253190668     
+   20.4587236752810       split increased to            2  itime      337116 
   itsplit           1
 Momenta zeroed out, time            67599.80
- acceleration/energy drift too large   11.4597367348659     
-   43.5065413307226       split increased to            2  itime      338473 
-  itsplit           1
 Momenta zeroed out, time            67799.80
- acceleration/energy drift too large   5.74330918292812     
-   22.2356155932543       split increased to            2  itime      339629 
+ acceleration/energy drift too large   2.40988873220608     
+   10.2796126777434       split increased to            2  itime      339015 
+  itsplit           1
+ acceleration/energy drift too large   6.11210385901091     
+   20.4468237845440       split increased to            2  itime      339333 
   itsplit           1
 Velocities reset to random values, time            67999.80
 Momenta zeroed out, time            67999.80
- acceleration/energy drift too large   7.92398673538776     
-   21.4464170222853       split increased to            2  itime      340531 
+ acceleration/energy drift too large   2.78285073741314     
+   14.8408683450637       split increased to            2  itime      340476 
   itsplit           1
 Momenta zeroed out, time            68199.80
- acceleration/energy drift too large   17.2430598778018     
-   117.829205462708       split increased to            2  itime      341122 
-  itsplit           1
- acceleration/energy drift too large   3.81401334229769     
-   24.3729742116009       split increased to            4  itime      341122 
-  itsplit           2
 Momenta zeroed out, time            68399.80
- acceleration/energy drift too large   6.34838538312823     
-   27.4535765390684       split increased to            2  itime      342306 
+ acceleration/energy drift too large   6.22259551814902     
+   21.9194287885373       split increased to            2  itime      342497 
   itsplit           1
 Momenta zeroed out, time            68599.80
- acceleration/energy drift too large   3.25072416887737     
-   10.9954975693738       split increased to            2  itime      343176 
+ acceleration/energy drift too large   3.20126183440763     
+   10.6117417350234       split increased to            2  itime      343085 
   itsplit           1
 Momenta zeroed out, time            68799.80
- acceleration/energy drift too large   5.82735266226837     
-   20.2329379525161       split increased to            2  itime      344126 
+ acceleration/energy drift too large   5.16749447388079     
+   12.7216283403316       split increased to            2  itime      344037 
   itsplit           1
- acceleration/energy drift too large   4.76182920356782     
-   14.3470063614742       split increased to            2  itime      344199 
+ acceleration/energy drift too large   6.67746886493290     
+   19.2720806680395       split increased to            2  itime      344079 
   itsplit           1
- acceleration/energy drift too large   5.23905524219808     
-   23.9312123462961       split increased to            2  itime      344648 
+ acceleration/energy drift too large   6.22497514247652     
+   18.8995520599211       split increased to            2  itime      344558 
   itsplit           1
 Momenta zeroed out, time            68999.80
- acceleration/energy drift too large   2.34319999207313     
-   11.3163224942049       split increased to            2  itime      345368 
+ acceleration/energy drift too large   5.52167076859346     
+   13.6173599752477       split increased to            2  itime      345135 
   itsplit           1
 Momenta zeroed out, time            69199.80
- acceleration/energy drift too large   4.88798997219771     
-   17.1058780539147       split increased to            2  itime      346184 
+ acceleration/energy drift too large   5.42123904068796     
+   12.9911985457214       split increased to            2  itime      346602 
   itsplit           1
- acceleration/energy drift too large   1.96359971157983     
-   12.7201757438792       split increased to            2  itime      346185 
+Momenta zeroed out, time            69399.80
+ acceleration/energy drift too large   11.3319873536766     
+   46.2807669324714       split increased to            2  itime      347232 
   itsplit           1
- acceleration/energy drift too large   5.05535340482635     
-   11.3677452867859       split increased to            2  itime      346439 
+ acceleration/energy drift too large   13.2226304048364     
+   56.7601776705570       split increased to            2  itime      347649 
   itsplit           1
- acceleration/energy drift too large   3.08803142156737     
-   10.7461614660469       split increased to            2  itime      346440 
+Momenta zeroed out, time            69599.80
+ acceleration/energy drift too large   4.82736449280737     
+   11.4411555374071       split increased to            2  itime      348034 
   itsplit           1
-Momenta zeroed out, time            69399.80
- acceleration/energy drift too large   4.22708211748360     
-   13.7043347241919       split increased to            2  itime      347664 
+ acceleration/energy drift too large   7.55491196937191     
+   23.9645694218868       split increased to            2  itime      348042 
   itsplit           1
-Momenta zeroed out, time            69599.80
 Momenta zeroed out, time            69799.80
- acceleration/energy drift too large   3.94116518279498     
-   11.7980196936335       split increased to            2  itime      349859 
+ acceleration/energy drift too large   2.72426870508561     
+   11.1347404394983       split increased to            2  itime      349985 
   itsplit           1
 Velocities reset to random values, time            69999.80
 Momenta zeroed out, time            69999.80
- acceleration/energy drift too large   8.76805691482387     
-   37.9321570570703       split increased to            2  itime      350634 
-  itsplit           1
- acceleration/energy drift too large   5.79814153508072     
-   14.5978292819295       split increased to            2  itime      350762 
-  itsplit           1
 Momenta zeroed out, time            70199.80
- acceleration/energy drift too large   4.71067167177810     
-   10.1392623553933       split increased to            2  itime      351135 
-  itsplit           1
- acceleration/energy drift too large   2.54870752238923     
-   13.3681739241608       split increased to            2  itime      351189 
-  itsplit           1
 Momenta zeroed out, time            70399.80
- acceleration/energy drift too large   2.31112603684619     
-   10.7568065217175       split increased to            2  itime      352472 
-  itsplit           1
- acceleration/energy drift too large   9.06417224603553     
-   36.7427032681020       split increased to            2  itime      352477 
-  itsplit           1
 Momenta zeroed out, time            70599.80
-Momenta zeroed out, time            70799.80
- acceleration/energy drift too large   3.85379454066045     
-   10.7370025629658       split increased to            2  itime      354645 
+ acceleration/energy drift too large   4.69974160190295     
+   12.7886031692756       split increased to            2  itime      353453 
   itsplit           1
+Momenta zeroed out, time            70799.80
 Momenta zeroed out, time            70999.80
- acceleration/energy drift too large   6.44054271727422     
-   22.0705929860703       split increased to            2  itime      355091 
-  itsplit           1
- acceleration/energy drift too large   5.42966622926275     
-   14.9548516392148       split increased to            2  itime      355852 
+ acceleration/energy drift too large   5.01596702996895     
+   12.1862786043977       split increased to            2  itime      355729 
   itsplit           1
 Momenta zeroed out, time            71199.80
- acceleration/energy drift too large   5.51540842356013     
-   11.7117708745374       split increased to            2  itime      356376 
-  itsplit           1
 Momenta zeroed out, time            71399.80
- acceleration/energy drift too large   4.26977104351892     
-   20.1849266789222       split increased to            2  itime      357316 
-  itsplit           1
 Momenta zeroed out, time            71599.80
- acceleration/energy drift too large   11.1609806234296     
-   65.1170965385648       split increased to            2  itime      358064 
-  itsplit           1
- acceleration/energy drift too large   3.87653565693344     
-   17.9933469835629       split increased to            2  itime      358608 
+ acceleration/energy drift too large   2.76037030705719     
+   15.8678686734096       split increased to            2  itime      358916 
   itsplit           1
 Momenta zeroed out, time            71799.80
- acceleration/energy drift too large   4.52654605404616     
-   10.0930918569139       split increased to            2  itime      359130 
-  itsplit           1
 Velocities reset to random values, time            71999.80
 Momenta zeroed out, time            71999.80
- acceleration/energy drift too large   4.85889391226302     
-   23.2592509224369       split increased to            2  itime      360219 
+ acceleration/energy drift too large   9.51693726798205     
+   45.3450623053582       split increased to            2  itime      360380 
+  itsplit           1
+ acceleration/energy drift too large   5.88909509005546     
+   11.7598041626853       split increased to            2  itime      360381 
   itsplit           1
 Momenta zeroed out, time            72199.80
 Momenta zeroed out, time            72399.80
+ acceleration/energy drift too large   4.95352095375249     
+   12.6451266779288       split increased to            2  itime      362140 
+  itsplit           1
+ acceleration/energy drift too large   3.38091482351817     
+   13.7755113404228       split increased to            2  itime      362151 
+  itsplit           1
 Momenta zeroed out, time            72599.80
- acceleration/energy drift too large   3.24449864858311     
-   12.5830948399039       split increased to            2  itime      363367 
+ acceleration/energy drift too large   2.58550112024866     
+   15.3574282445680       split increased to            2  itime      363147 
   itsplit           1
- acceleration/energy drift too large   7.06453736840279     
-   11.5845558551357       split increased to            2  itime      363757 
+ acceleration/energy drift too large   6.63902245795161     
+   22.4898598051546       split increased to            2  itime      363668 
   itsplit           1
 Momenta zeroed out, time            72799.80
 Momenta zeroed out, time            72999.80
- acceleration/energy drift too large   5.84940022148729     
-   34.0030600126294       split increased to            2  itime      365085 
-  itsplit           1
- acceleration/energy drift too large   4.79337830530951     
-   17.6179215010879       split increased to            2  itime      365663 
-  itsplit           1
- acceleration/energy drift too large   4.82276879549981     
-   13.9010948654305       split increased to            2  itime      365704 
+ acceleration/energy drift too large   9.78296602579309     
+   42.9362530360904       split increased to            2  itime      365593 
   itsplit           1
 Momenta zeroed out, time            73199.80
- acceleration/energy drift too large   7.00149662063805     
-   31.0210037858590       split increased to            2  itime      366185 
-  itsplit           1
- acceleration/energy drift too large   3.47761095165149     
-   19.4464095928062       split increased to            2  itime      366570 
+ acceleration/energy drift too large   5.90096715617034     
+   11.4146607841315       split increased to            2  itime      366013 
   itsplit           1
- acceleration/energy drift too large   9.89698124550326     
-   39.3496221346800       split increased to            2  itime      366597 
+ acceleration/energy drift too large   7.11734654719571     
+   37.4393943482304       split increased to            2  itime      366391 
   itsplit           1
 Momenta zeroed out, time            73399.80
- acceleration/energy drift too large   6.02745959092751     
-   15.4653045955736       split increased to            2  itime      367007 
+ acceleration/energy drift too large   5.52604547841967     
+   17.9695833993661       split increased to            2  itime      367567 
   itsplit           1
- acceleration/energy drift too large   6.94777550214781     
-   51.9209274155869       split increased to            2  itime      367307 
+ acceleration/energy drift too large   4.09737683404746     
+   12.5486684189239       split increased to            2  itime      367581 
   itsplit           1
- acceleration/energy drift too large   5.33112813058711     
-   30.6719915165239       split increased to            2  itime      367349 
+Momenta zeroed out, time            73599.80
+ acceleration/energy drift too large   6.99970621047845     
+   32.2595799849702       split increased to            2  itime      368266 
   itsplit           1
- acceleration/energy drift too large   2.93754106290778     
-   11.2592020468303       split increased to            2  itime      367425 
+ acceleration/energy drift too large   10.0879923346955     
+   45.3564161211798       split increased to            2  itime      368439 
   itsplit           1
- acceleration/energy drift too large   8.78699669814501     
-   33.7504835243056       split increased to            2  itime      367456 
+ acceleration/energy drift too large   5.45296822079528     
+   22.6313579518624       split increased to            2  itime      368970 
   itsplit           1
- acceleration/energy drift too large   3.07361655502401     
-   10.3241241209599       split increased to            2  itime      367561 
+Momenta zeroed out, time            73799.80
+ acceleration/energy drift too large   9.54940384625203     
+   44.3255505362117       split increased to            2  itime      369357 
   itsplit           1
- acceleration/energy drift too large   2.61045192518879     
-   10.1227703337366       split increased to            2  itime      367775 
+ acceleration/energy drift too large   8.10959246821768     
+   29.2621385906859       split increased to            2  itime      369419 
   itsplit           1
- acceleration/energy drift too large   9.62983514690517     
-   38.2034337397379       split increased to            2  itime      367796 
+ acceleration/energy drift too large   2.77469355278960     
+   13.9282539760153       split increased to            4  itime      369419 
   itsplit           1
-Momenta zeroed out, time            73599.80
-Momenta zeroed out, time            73799.80
- acceleration/energy drift too large   4.80832653246823     
-   13.1470021238671       split increased to            2  itime      369787 
+ acceleration/energy drift too large   3.25407969407066     
+   22.1379472806396       split increased to            2  itime      369802 
+  itsplit           1
+ acceleration/energy drift too large   5.45114366845640     
+   22.4404843924116       split increased to            2  itime      369950 
   itsplit           1
 Velocities reset to random values, time            73999.80
 Momenta zeroed out, time            73999.80
+ acceleration/energy drift too large   5.65427340478346     
+   12.1020064773767       split increased to            2  itime      370095 
+  itsplit           1
+ acceleration/energy drift too large   5.47049343609587     
+   30.4488940823957       split increased to            2  itime      370944 
+  itsplit           1
 Momenta zeroed out, time            74199.80
+ acceleration/energy drift too large   6.65122734775659     
+   32.3302029373605       split increased to            2  itime      371499 
+  itsplit           1
 Momenta zeroed out, time            74399.80
 Momenta zeroed out, time            74599.80
- acceleration/energy drift too large   4.26427901134681     
-   15.4451504902704       split increased to            2  itime      373233 
-  itsplit           1
- acceleration/energy drift too large   2.59718944168464     
-   10.3557069121866       split increased to            2  itime      373358 
-  itsplit           1
 Momenta zeroed out, time            74799.80
- acceleration/energy drift too large   5.48041966444144     
-   12.0129797818610       split increased to            2  itime      374259 
-  itsplit           1
- acceleration/energy drift too large   2.44862641341350     
-   13.1990842365670       split increased to            2  itime      374437 
-  itsplit           1
- acceleration/energy drift too large   4.48692560631921     
-   11.8423326757279       split increased to            2  itime      374574 
-  itsplit           1
- acceleration/energy drift too large   5.65127918687443     
-   16.5929093208909       split increased to            2  itime      374670 
-  itsplit           1
- acceleration/energy drift too large   2.33094306119850     
-   11.8500497753961       split increased to            2  itime      374899 
+ acceleration/energy drift too large   5.91574510956809     
+   15.4208835062875       split increased to            2  itime      374072 
   itsplit           1
 Momenta zeroed out, time            74999.80
- acceleration/energy drift too large   4.04007045537138     
-   23.8439643934455       split increased to            2  itime      375012 
-  itsplit           1
 Momenta zeroed out, time            75199.80
- acceleration/energy drift too large   3.92799153292735     
-   11.0599223397143       split increased to            2  itime      376004 
-  itsplit           1
- acceleration/energy drift too large   7.48108122809791     
-   23.2654824957895       split increased to            2  itime      376792 
+ acceleration/energy drift too large   4.08363759442595     
+   12.5877182862663       split increased to            2  itime      376876 
   itsplit           1
 Momenta zeroed out, time            75399.80
- acceleration/energy drift too large   5.80856061750801     
-   14.7560427944003       split increased to            2  itime      377080 
-  itsplit           1
- acceleration/energy drift too large   4.43101327658883     
-   11.4534403574773       split increased to            2  itime      377143 
-  itsplit           1
- acceleration/energy drift too large   5.47570400533990     
-   15.9576001849676       split increased to            2  itime      377292 
-  itsplit           1
- acceleration/energy drift too large   6.74508440895788     
-   11.5767480814641       split increased to            2  itime      377459 
+ acceleration/energy drift too large   11.2953593664080     
+   77.8253045887273       split increased to            2  itime      377974 
   itsplit           1
 Momenta zeroed out, time            75599.80
-Momenta zeroed out, time            75799.80
- acceleration/energy drift too large   2.18558468145886     
-   11.9040074668813       split increased to            2  itime      379057 
+ acceleration/energy drift too large   5.01274375128233     
+   17.2735900133250       split increased to            2  itime      378194 
   itsplit           1
- acceleration/energy drift too large   2.92028276615693     
-   10.1074120258816       split increased to            2  itime      379058 
+ acceleration/energy drift too large   6.13513522650618     
+   20.8942103191638       split increased to            2  itime      378386 
   itsplit           1
- acceleration/energy drift too large   2.98341831441520     
-   14.7685389896941       split increased to            2  itime      379334 
+Momenta zeroed out, time            75799.80
+ acceleration/energy drift too large   3.23929560293237     
+   14.4877633419990       split increased to            2  itime      379047 
   itsplit           1
 Velocities reset to random values, time            75999.80
 Momenta zeroed out, time            75999.80
- acceleration/energy drift too large   5.07106531817592     
-   11.4523466635452       split increased to            2  itime      380764 
+ acceleration/energy drift too large   4.11606119981942     
+   27.4188143816735       split increased to            2  itime      380895 
   itsplit           1
-Momenta zeroed out, time            76199.80
-Momenta zeroed out, time            76399.80
- acceleration/energy drift too large   4.77243558536533     
-   17.4720771986068       split increased to            2  itime      382315 
+ acceleration/energy drift too large   3.14244623442326     
+   10.0124939558166       split increased to            2  itime      380993 
   itsplit           1
- acceleration/energy drift too large   5.24386683044709     
-   11.9002399063967       split increased to            2  itime      382587 
+Momenta zeroed out, time            76199.80
+ acceleration/energy drift too large   7.59062323955687     
+   30.3779706063091       split increased to            2  itime      381185 
   itsplit           1
-Momenta zeroed out, time            76599.80
- acceleration/energy drift too large   7.03365755171763     
-   29.2891226885410       split increased to            2  itime      383114 
+ acceleration/energy drift too large   2.46983558620687     
+   12.2771242932530       split increased to            4  itime      381185 
   itsplit           1
- acceleration/energy drift too large   13.0278058677687     
-   97.6615483684267       split increased to            2  itime      383215 
+ acceleration/energy drift too large   5.54083690829778     
+   21.6515996341841       split increased to            2  itime      381219 
   itsplit           1
- acceleration/energy drift too large   3.61416108119523     
-   10.6311983354737       split increased to            2  itime      383535 
+Momenta zeroed out, time            76399.80
+Momenta zeroed out, time            76599.80
+ acceleration/energy drift too large   7.21163728527447     
+   21.1706745898109       split increased to            2  itime      383120 
   itsplit           1
 Momenta zeroed out, time            76799.80
- acceleration/energy drift too large   5.05778931748734     
-   12.1212068832733       split increased to            2  itime      384673 
+ acceleration/energy drift too large   3.27390306713022     
+   13.0743061317947       split increased to            2  itime      384476 
+  itsplit           1
+ acceleration/energy drift too large   5.94109441128077     
+   10.3821794748192       split increased to            2  itime      384515 
   itsplit           1
 Momenta zeroed out, time            76999.80
- acceleration/energy drift too large   3.39489989549954     
-   15.9913454494364       split increased to            2  itime      385202 
+ acceleration/energy drift too large   5.05100511870543     
+   10.3242709040216       split increased to            2  itime      385146 
   itsplit           1
- acceleration/energy drift too large   5.53217068947212     
-   16.6617511907380       split increased to            2  itime      385699 
+ acceleration/energy drift too large   4.39757185412397     
+   27.8515726656562       split increased to            2  itime      385458 
   itsplit           1
 Momenta zeroed out, time            77199.80
- acceleration/energy drift too large   4.23355957486940     
-   25.2656669532309       split increased to            2  itime      386506 
+ acceleration/energy drift too large   4.54390129957249     
+   15.3575460127618       split increased to            2  itime      386296 
   itsplit           1
 Momenta zeroed out, time            77399.80
- acceleration/energy drift too large   6.29370675831010     
-   18.1983595608477       split increased to            2  itime      387208 
-  itsplit           1
- acceleration/energy drift too large   6.88571485677346     
-   49.8130199570009       split increased to            2  itime      387592 
+ acceleration/energy drift too large   5.12231116526659     
+   35.3702042133956       split increased to            2  itime      387008 
   itsplit           1
 Momenta zeroed out, time            77599.80
- acceleration/energy drift too large   4.44760598973458     
-   18.5210873626999       split increased to            2  itime      388529 
-  itsplit           1
- acceleration/energy drift too large   3.87433643578072     
-   10.8338603398753       split increased to            2  itime      388576 
-  itsplit           1
- acceleration/energy drift too large   4.37001921151179     
-   19.4263294001947       split increased to            2  itime      388858 
+ acceleration/energy drift too large   6.34782771941969     
+   17.3786946858393       split increased to            2  itime      388425 
   itsplit           1
 Momenta zeroed out, time            77799.80
- acceleration/energy drift too large   2.90108930218006     
-   10.4332325964284       split increased to            2  itime      389326 
-  itsplit           1
- acceleration/energy drift too large   2.97008650097549     
-   13.3270284450095       split increased to            2  itime      389380 
+ acceleration/energy drift too large   4.17982272678948     
+   10.7673617903919       split increased to            2  itime      389163 
   itsplit           1
 Velocities reset to random values, time            77999.80
 Momenta zeroed out, time            77999.80
 Momenta zeroed out, time            78199.80
- acceleration/energy drift too large   5.03029791021081     
-   26.7295395328169       split increased to            2  itime      391277 
+Momenta zeroed out, time            78399.80
+ acceleration/energy drift too large   4.64958603180405     
+   22.8458414907840       split increased to            2  itime      392017 
   itsplit           1
- acceleration/energy drift too large   3.56230114048346     
-   12.5753848372144       split increased to            2  itime      391490 
+ acceleration/energy drift too large   9.64643566736451     
+   41.7240864482136       split increased to            2  itime      392102 
   itsplit           1
- acceleration/energy drift too large   10.9110137737463     
-   52.3535722545835       split increased to            2  itime      391730 
+ acceleration/energy drift too large   5.27609013461893     
+   22.3581291725397       split increased to            2  itime      392124 
   itsplit           1
- acceleration/energy drift too large   5.90177898237377     
-   18.7531998748377       split increased to            2  itime      391760 
+ acceleration/energy drift too large   4.71791608941973     
+   17.3529796705651       split increased to            2  itime      392898 
   itsplit           1
- acceleration/energy drift too large   4.34215770008201     
-   14.1632420920339       split increased to            2  itime      391821 
+Momenta zeroed out, time            78599.80
+ acceleration/energy drift too large   3.19026122491851     
+   10.4928215777158       split increased to            2  itime      393010 
   itsplit           1
-Momenta zeroed out, time            78399.80
- acceleration/energy drift too large   4.39787288452052     
-   24.2063451508814       split increased to            2  itime      392520 
+ acceleration/energy drift too large   5.53051301952223     
+   22.0808831254744       split increased to            2  itime      393287 
   itsplit           1
- acceleration/energy drift too large   3.26191260653209     
-   16.3541082612807       split increased to            2  itime      392551 
+ acceleration/energy drift too large   6.95316275810047     
+   22.3622088859529       split increased to            2  itime      393945 
   itsplit           1
-Momenta zeroed out, time            78599.80
 Momenta zeroed out, time            78799.80
- acceleration/energy drift too large   3.01583048271701     
-   21.0510109305336       split increased to            2  itime      394611 
+ acceleration/energy drift too large   6.78478505342967     
+   23.6011209919373       split increased to            2  itime      394250 
+  itsplit           1
+ acceleration/energy drift too large   3.84395342999552     
+   10.2873538085807       split increased to            2  itime      394926 
+  itsplit           1
+ acceleration/energy drift too large   5.26652059100677     
+   27.9551038835995       split increased to            2  itime      394998 
   itsplit           1
 Momenta zeroed out, time            78999.80
 Momenta zeroed out, time            79199.80
- acceleration/energy drift too large   3.94912939641695     
-   10.3857161897633       split increased to            2  itime      396468 
+ acceleration/energy drift too large   4.01463881459581     
+   15.6326911261333       split increased to            2  itime      396867 
   itsplit           1
 Momenta zeroed out, time            79399.80
-Momenta zeroed out, time            79599.80
- acceleration/energy drift too large   5.64665401819274     
-   35.8512667580867       split increased to            2  itime      398483 
+ acceleration/energy drift too large   8.51003206004946     
+   36.2488001110263       split increased to            2  itime      397191 
   itsplit           1
- acceleration/energy drift too large   6.63731048933496     
-   17.1527786775102       split increased to            2  itime      398797 
+ acceleration/energy drift too large   5.55223883494801     
+   18.8106759800745       split increased to            2  itime      397947 
   itsplit           1
-Momenta zeroed out, time            79799.80
- acceleration/energy drift too large   2.80257365309243     
-   14.5088511339919       split increased to            2  itime      399516 
+Momenta zeroed out, time            79599.80
+ acceleration/energy drift too large   5.16218711678375     
+   27.4581057582196       split increased to            2  itime      398302 
   itsplit           1
+Momenta zeroed out, time            79799.80
 Velocities reset to random values, time            79999.80
 Momenta zeroed out, time            79999.80
- acceleration/energy drift too large   4.22229838549616     
-   11.3753244254733       split increased to            2  itime      400203 
+ acceleration/energy drift too large   7.51297516676099     
+   25.5109796968193       split increased to            2  itime      400343 
   itsplit           1
- acceleration/energy drift too large   2.58738614948057     
-   12.0550449998460       split increased to            2  itime      400318 
-  itsplit           1
- acceleration/energy drift too large   5.17911408285967     
-   10.3107914604158       split increased to            2  itime      400887 
+ acceleration/energy drift too large   2.45461634286477     
+   12.5013964232357       split increased to            2  itime      400961 
   itsplit           1
 Momenta zeroed out, time            80199.80
- acceleration/energy drift too large   6.29602852365159     
-   17.5445682535272       split increased to            2  itime      401222 
+ acceleration/energy drift too large   4.98969173658719     
+   12.8054676588923       split increased to            2  itime      401770 
   itsplit           1
- acceleration/energy drift too large   5.38631753422071     
-   14.4042654925194       split increased to            2  itime      401833 
+Momenta zeroed out, time            80399.80
+ acceleration/energy drift too large   5.68059115646282     
+   32.7731284058526       split increased to            2  itime      402180 
   itsplit           1
- acceleration/energy drift too large   3.03274946508729     
-   12.1902481817825       split increased to            2  itime      401988 
+Momenta zeroed out, time            80599.80
+ acceleration/energy drift too large   6.30601828304944     
+   26.5671252010090       split increased to            2  itime      403218 
   itsplit           1
-Momenta zeroed out, time            8 acceleration/energy drift too large   2.05299003177109     
-   19.0622771328728       split increased to            2  itime      396803 
+ acceleration/energy drift too large   5.20811840276375     
+   26.9498494562120       split increased to            2  itime      403465 
   itsplit           1
-Momenta zeroed out, time            79399.80
- acceleration/energy drift too large   4.67653181882327     
-   13.1421067871112       split increased to            2  itimMomenta zeroed out, time            8Momenta Momenta zeroed out, time            80799.80
- acceleration/energy drift too large   4.80427230629041     
-   12.0333621934154       split increased to            2  itime      404064 
+Momenta zeroed out, time            80799.80
+ acceleration/energy drift too large   5.04832486253335     
+   10.3630500393292       split increased to            2  itime      404633 
+  itsplit           1
+ acceleration/energy drift too large   5.43546919011113     
+   11.4942500332498       split increased to            2  itime      404960 
   itsplit           1
 Momenta zeroed out, time            80999.80
- acceleration/energy drift too large   4.99810925178064     
-   16.3378007559156       split increased to            2  itime      405283 
+ acceleration/energy drift too large   4.36218049623525     
+   11.3675386012723       split increased to            2  itime      405085 
   itsplit           1
- acceleration/energy drift too large   6.59141482943543     
-   23.0294654408282       split increased to            2  itime      405915 
+ acceleration/energy drift too large   5.93152097470739     
+   10.7032089899166       split increased to            2  itime      405425 
   itsplit           1
 Momenta zeroed out, time            81199.80
- acceleration/energy drift too large   6.08709280587092     
-   18.5273329276982       split increased to            2  itime      406344 
-  itsplit           1
- acceleration/energy drift too large   5.85203046163726     
-   14.6955086127726       split incr acceleration/energy drift too large   2.02839819884233     
-   11.7080084827909       split increased to     acceleration/energy drift too large   4.76689251503034     
-   19.6826282777961       split increased to            2  itime      407820 
+Momenta zeroed out, time            81399.80
+ acceleration/energy drift too large   8.31003927870355     
+   23.9296866741839       split increased to            2  itime      407073 
   itsplit           1
 Momenta zeroed out, time            81599.80
- acceleration/energy drift too large   3.64227907521920     
-   19.4281935612679       split increased to            2  itime      408021 
-  itsplit           1
- acceleration/energy drift too large   4.50784301420458     
-   11.4382553547593       split increased to            2  itime      408772 
+ acceleration/energy drift too large   2.63816529933059     
+   16.7636627608264       split increased to            2  itime      408499 
   itsplit           1
 Momenta zeroed out, time            81799.80
- acceleration/energy drift too large   7.80279215854762     
-   29.7686742918819       split increased to            2  itime      409046 
-  itsplit           1
- acceleration/energy drift too large   10.4258471160111     
-   50.8722685223492       split increased to            2  itime      409538 
+ acceleration/energy drift too large   4.31247776588583     
+   11.2525598925673       split increased to            2  itime      409216 
   itsplit           1
 Velocities reset to random values, time            81999.80
 Momenta zeroed out, time            81999.80
- acceleration/energy drift too large   6.69458063557011     
-   17.0540115741324       split increased to            2  itime      410143 
-  itsplit           1
 Momenta zeroed out, time            82199.80
 Momenta zeroed out, time            82399.80
- acceleration/energy drift too large   4.32799195287111     
-   11.7079516021705       split increased to            2  itime      412158 
+ acceleration/energy drift too large   4.26109103584306     
+   12.4457328564630       split increased to            2  itime      412004 
   itsplit           1
- acceleration/energy drift too large   6.19042094365687     
-   17.0672791831681       split increased to            2  itime      412387 
+ acceleration/energy drift too large   3.13534929963550     
+   10.0017321256758       split increased to            2  itime      412151 
   itsplit           1
 Momenta zeroed out, time            82599.80
- acceleration/energy drift too large   7.78324759374131     
-   30.1276894733613       split increased to            2  itime      413185 
-  itsplit           1
- acceleration/energy drift too large   5.17236687434432     
-   32.2295507907594       split increased to            2  itime      413283 
-  itsplit     Momenta zeroed out, time            81599.80
- acceleration/energy drift too large   4.20880606101681     
-   29.1721711976604       split increased to            2  itime      408445 
-  itsplit           1
-Momenta zeroed out, time            81799.80
- acceleration/energy drift too large   4.04003433717267     
-   12.7809793077025       split increased to            2  itime      409630 
+ acceleration/energy drift too large   5.41917719412129     
+   14.5108235349170       split increased to            2  itime      413031 
   itsplit           1
- acceleration/energy drift too large   2.53354409251887     
-   12.8390293809496       split increased to            2  itime      409852 
+ acceleration/energy drift too large   8.55862521180697     
+   34.2051101608312       split increased to            2  itime      413126 
   itsplit           1
- acceleration/energy drift too large   2.59063863414071     
-   17.3045166470749       split increased to            2  itime      409935 
+ acceleration/energy drift too large   4.54284589115469     
+   22.3427750811471       split increased to            2  itime      413543 
   itsplit           1
-Velocities reset to random values, time            81999.80
-Momenta zeroed out, time            81999.80
- acceleration/energy drift too large   3.86137223042611     
-   13.3134309762627       split increased to            2  itime      410314 
+ acceleration/energy drift too large   5.16644909108964     
+   11.5100101576827       split increased to            2  itime      413795 
   itsplit           1
-Momenta zeroed out, time            82199.80
-Momenta zeroed out, time            82399.80
-Momenta zeroed out, time            82599.80
 Momenta zeroed out, time            82799.80
- acceleration/energy drift too large   4.33125012424138     
-   12.5731489866882       split increased to            2  itime      414404 
-  itsplit           1
- acceleration/energy drift too large   5.62100615455302     
-   16.7497449373867       split increased to            2  itime      414513 
-  itsplit           1
- acceleration/energy drift too large   2.18707374478555     
-   11.5250983826532       split increased to            2  itime      414786 
+ acceleration/energy drift too large   10.6386003684554     
+   63.6390989887361       split increased to            2  itime      414822 
   itsplit           1
+ acceleration/energy drift too large   2.77729332121349     
+   16.3199732990512       split increased to            4  itime      414822 
+  itsplit           2
 Momenta zeroed out, time            82999.80
+ acceleration/energy drift too large   7.58721585686964     
+   24.6319281346976       split increased to            2  itime      415138 
+  itsplit           1
 Momenta zeroed out, time            83199.80
- acceleration/energy drift too large   9.55155694601624     
-   41.4034542100061       split increased to            2  itime      416008 
+ acceleration/energy drift too large   7.77806500014603     
+   23.1152805045198       split increased to            2  itime      416039 
+  itsplit           1
+ acceleration/energy drift too large   3.68487316822867     
+   14.0788877226591       split increased to            2  itime      416200 
   itsplit           1
- acceleration/energy drift too large   4.77279726616564     
-   13.3529652488129       split increased to            2  itime      416174 
+ acceleration/energy drift too large   4.91523402141399     
+   19.2736204873021       split increased to            2  itime      416827 
   itsplit           1
 Momenta zeroed out, time            83399.80
-Momenta zeroed out, time            83599.80
- acceleration/energy drift too large   5.71768655985254     
-   17.5757892764547       split increased to            2  itime      418319 
+ acceleration/energy drift too large   11.1094545096519     
+   60.6212215660629       split increased to            2  itime      417484 
   itsplit           1
- acceleration/energy drift too large   2.75555942815941     
-   11.1363636661094       split increased to            2  itime      418776 
+Momenta zeroed out, time            83599.80
+ acceleration/energy drift too large   6.17486349062236     
+   15.1331096039779       split increased to            2  itime      418291 
   itsplit           1
 Momenta zeroed out, time            83799.80
- acceleration/energy drift too large   4.48306949223726     
-   23.5924652566160       split increased to            2  itime      419780 
-  itsplit           1
 Velocities reset to random values, time            83999.80
 Momenta zeroed out, time            83999.80
- acceleration/energy drift too large   5.56954025758703     
-   16.8686790304014       split increased to            2  itime      420081 
+ acceleration/energy drift too large   4.51148778367772     
+   13.7872743830440       split increased to            2  itime      420617 
+  itsplit           1
+ acceleration/energy drift too large   3.82954180289575     
+   11.3056934573766       split increased to            2  itime      420774 
   itsplit           1
 Momenta zeroed out, time            84199.80
- acceleration/energy drift too large   4.48300341833843     
-   18.2265505092499       split increased to            2  itime      421982 
+ acceleration/energy drift too large   4.71337680990725     
+   12.7197644016920       split increased to            2  itime      421222 
   itsplit           1
 Momenta zeroed out, time            84399.80
- acceleration/energy drift too large   5.61086763186429     
-   35.4848166512555       split increased to            2  itime      422003 
-  itsplit           1
- acceleration/energy drift too large   6.35338122479654     
-   39.8916274972623       split increased to            2  itime      422118 
-  itsplit           1
- acceleration/energy drift too large   5.07085816716168     
-   16.2981140615330       split increased to            2  itime      422838 
+ acceleration/energy drift too large   5.88267868215188     
+   19.4966513157278       split increased to            2  itime      422328 
   itsplit           1
 Momenta zeroed out, time            84599.80
- acceleration/energy drift too large   4.97339224357971     
-   16.6442170434307       split increased to            2  itime      423289 
-  itsplit           1
- acceleration/energy drift too large   7.04921472608833     
-   23.4968350479501       split increased to            2  itime      423612 
-  itsplit           1
 Momenta zeroed out, time            84799.80
- acceleration/energy drift too large   3.23374392238671     
-   15.4175051458079       split increased to            2  itime      424132 
+ acceleration/energy drift too large   2.40153086644119     
+   12.2309182322368       split increased to            2  itime      424553 
   itsplit           1
- acceleration/energy drift too large   4.99302026036681     
-   11.3030379582137       split increased to            2  itime      424230 
-  itsplit           1
- acceleration/energy drift too large   5.61591148638488     
-   24.1818353859922       split increased to            2  itime      424424 
+Momenta zeroed out, time            84999.80
+ acceleration/energy drift too large   4.15550512696894     
+   18.2899573829306       split increased to            2  itime      425383 
   itsplit           1
- acceleration/energy drift too large   5.13634445819271     
-   12.5295316843981       split increased to            2  itime      424464 
+ acceleration/energy drift too large   5.86143030573344     
+   31.1699674017804       split increased to            2  itime      425448 
   itsplit           1
- acceleration/energy drift too large   5.52682923345480     
-   38.8032274081517       split increased to            2  itime      424746 
+ acceleration/energy drift too large   4.17067200506309     
+   18.9186715722135       split increased to            2  itime      425889 
   itsplit           1
-Momenta zeroed out, time            84999.80
 Momenta zeroed out, time            85199.80
- acceleration/energy drift too large   5.61697026650493     
-   16.2940191619980       split increased to            2  itime      426802 
-  itsplit           1
 Momenta zeroed out, time            85399.80
- acceleration/energy drift too large   4.08695484272160     
-   10.6673951338919       split increased to            2  itime      427298 
+ acceleration/energy drift too large   2.15655102198577     
+   11.0488776518496       split increased to            2  itime      427044 
   itsplit           1
- acceleration/energy drift too large   12.0820921976739     
-   63.9980190002601       split increased to            2  itime      427663 
+ acceleration/energy drift too large   7.97010042838951     
+   93.7810006784758       split increased to            2  itime      427452 
   itsplit           1
 Momenta zeroed out, time            85599.80
- acceleration/energy drift too large   7.68903595606490     
-   39.5420594032511       split increased to            2  itime      428807 
+ acceleration/energy drift too large   4.82824276661732     
+   19.1794810054049       split increased to            2  itime      428037 
+  itsplit           1
+ acceleration/energy drift too large   4.86572330717018     
+   15.4552066280849       split increased to            2  itime      428324 
+  itsplit           1
+ acceleration/energy drift too large   5.03747786058300     
+   16.5062391453014       split increased to            2  itime      428715 
   itsplit           1
- acceleration/energy drift too large   2.31298229666004     
-   13.2848698633149       split increased to            2  itime      428841 
+ acceleration/energy drift too large   4.07066356407096     
+   16.5884441026470       split increased to            2  itime      428797 
   itsplit           1
 Momenta zeroed out, time            85799.80
- acceleration/energy drift too large   5.49678722575617     
-   10.2916151738004       split increased to            2  itime      429808 
+ acceleration/energy drift too large   6.03179437642546     
+   17.9063105095082       split increased to            2  itime      429191 
   itsplit           1
-Velocities reset to random values, time            85999.80
-Momenta zeroed out, time            85999.80
- acceleration/energy drift too large   13.4070148941904     
-   81.8676647120946       split increased to            2  itime      430026 
+ acceleration/energy drift too large   2.32604818599263     
+   10.0755233917297       split increased to            2  itime      429192 
   itsplit           1
- acceleration/energy drift too large   6.93938913420546     
-   11.8511888877592       split increased to            2  itime      430528 
+ acceleration/energy drift too large   3.92653387008106     
+   21.9072894190367       split increased to            2  itime      429977 
   itsplit           1
+Velocities reset to random values, time            85999.80
+Momenta zeroed out, time            85999.80
 Momenta zeroed out, time            86199.80
 Momenta zeroed out, time            86399.80
- acceleration/energy drift too large   4.32828450336206     
-   13.9421587961056       split increased to            2  itime      432730 
-  itsplit           1
- acceleration/energy drift too large   5.08534504581741     
-   11.7519127464098       split increased to            2  itime      432827 
+ acceleration/energy drift too large   6.11389224123255     
+   28.4264485749079       split increased to            2  itime      432055 
   itsplit           1
 Momenta zeroed out, time            86599.80
- acceleration/energy drift too large   5.21802201399626     
-   12.6700538798823       split increased to            2  itime      433806 
-  itsplit           1
 Momenta zeroed out, time            86799.80
- acceleration/energy drift too large   4.41653886405890     
-   13.3716017040507       split increased to            2  itime      434348 
-  itsplit           1
- acceleration/energy drift too large   2.95610043659091     
-   11.8236061593035       split increased to            2  itime      434349 
-  itsplit           1
- acceleration/energy drift too large   6.31839241896757     
-   36.0847010540377       split increased to            2  itime      434528 
+ acceleration/energy drift too large   1.92007237104855     
+   11.5450176123032       split increased to            2  itime      434206 
   itsplit           1
 Momenta zeroed out, time            86999.80
- acceleration/energy drift too large   4.94506306577464     
-   25.3703927436246       split increased to            2  itime      435412 
-  itsplit           1
 Momenta zeroed out, time            87199.80
- acceleration/energy drift too large   7.70537310907623     
-   33.5829963226652       split increased to            2  itime      436186 
+ acceleration/energy drift too large   5.30722297046711     
+   18.1744649560650       split increased to            2  itime      436384 
+  itsplit           1
+ acceleration/energy drift too large   3.03721552280007     
+   11.8331926355956       split increased to            2  itime      436544 
   itsplit           1
- acceleration/energy drift too large   4.49759289171919     
-   19.0941296637145       split increased to            2  itime      436432 
+Momenta zeroed out, time            87399.80
+ acceleration/energy drift too large   3.99447112641455     
+   13.0305057380322       split increased to            2  itime      437396 
   itsplit           1
- acceleration/energy drift too large   4.45971364147847     
-   20.1369329070073       split increased to            2  itime      436472 
+ acceleration/energy drift too large   4.58791802679483     
+   12.6855535878014       split increased to            2  itime      437869 
   itsplit           1
- acceleration/energy drift too large   5.86029108779696     
-   37.3619718547008       split increased to            2  itime      436486 
+ acceleration/energy drift too large   6.52542716586836     
+   24.2632677913682       split increased to            2  itime      437910 
   itsplit           1
- acceleration/energy drift too large   4.48400279202175     
-   13.6066863793965       split increased to            2  itime      436489 
+ acceleration/energy drift too large   3.84127382385678     
+   11.6959686507966       split increased to            2  itime      437963 
   itsplit           1
-Momenta zeroed out, time            87399.80
 Momenta zeroed out, time            87599.80
- acceleration/energy drift too large   11.3347018697859     
-   48.1305570316765       split increased to            2  itime      438575 
+ acceleration/energy drift too large   2.79537778563188     
+   10.3461751324012       split increased to            2  itime      438619 
   itsplit           1
 Momenta zeroed out, time            87799.80
- acceleration/energy drift too large   3.96098079098375     
-   14.0571512514089       split increased to            2  itime      439260 
-  itsplit           1
 Velocities reset to random values, time            87999.80
 Momenta zeroed out, time            87999.80
+ acceleration/energy drift too large   9.96821007221587     
+   28.5796221167266       split increased to            2  itime      440373 
+  itsplit           1
+ acceleration/energy drift too large   9.14194363328336     
+   10.3817726403070       split increased to            2  itime      440374 
+  itsplit           1
 Momenta zeroed out, time            88199.80
- acceleration/energy drift too large   2.73422794622897     
-   13.4344531783608       split increased to            2  itime      441780 
+ acceleration/energy drift too large   7.97920193424066     
+   26.8908191679042       split increased to            2  itime      441162 
   itsplit           1
 Momenta zeroed out, time            88399.80
- acceleration/energy drift too large   5.88631608346922     
-   15.7507723573948       split increased to            2  itime      442725 
-  itsplit           1
 Momenta zeroed out, time            88599.80
-Momenta zeroed out, time            88799.80
- acceleration/energy drift too large   5.63218041611129     
-   33.9452905989635       split increased to            2  itime      444293 
+ acceleration/energy drift too large   4.83904095484741     
+   36.4064672217145       split increased to            2  itime      443467 
   itsplit           1
- acceleration/energy drift too large   4.64512110015695     
-   13.0385805437954       split increased to            2  itime      444899 
+ acceleration/energy drift too large   5.31822835162636     
+   26.5053727323706       split increased to            2  itime      443552 
   itsplit           1
-Momenta zeroed out, time            88999.80
- acceleration/energy drift too large   6.34289499196718     
-   15.9108454587544       split increased to            2  itime      445008 
+ acceleration/energy drift too large   3.86345785296564     
+   26.4524691842332       split increased to            2  itime      443553 
   itsplit           1
- acceleration/energy drift too large   2.36347081344236     
-   13.9665923337713       split increased to            2  itime      445412 
+Momenta zeroed out, time            88799.80
+ acceleration/energy drift too large   4.24936489065869     
+   17.4381968393323       split increased to            2  itime      444046 
   itsplit           1
-Momenta zeroed out, time            89199.80
-Momenta zeroed out, time            89399.80
- acceleration/energy drift too large   4.12660435076847     
-   14.6723014011002       split increased to            2  itime      447136 
+ acceleration/energy drift too large   4.11555514631014     
+   10.4598416423606       split increased to            2  itime      444141 
   itsplit           1
-Momenta zeroed out, time            89599.80
- acceleration/energy drift too large   2.85315789962226     
-   11.4930989650263       split increased to            2  itime      448026 
+ acceleration/energy drift too large   3.51948892972447     
+   25.1188192448676       split increased to            2  itime      444164 
   itsplit           1
- acceleration/energy drift too large   6.69253525384607     
-   21.1473120871109       split increased to            2  itime      448037 
+ acceleration/energy drift too large   4.34018686986347     
+   19.4345341398238       split increased to            2  itime      444267 
   itsplit           1
- acceleration/energy drift too large   10.3074902794850     
-   52.3257057919594       split increased to            2  itime      448145 
+Momenta zeroed out, time            88999.80
+ acceleration/energy drift too large   5.92428527125742     
+   25.8248855232002       split increased to            2  itime      445037 
   itsplit           1
- acceleration/energy drift too large   4.80843049642511     
-   14.0989612674163       split increased to            2  itime      448400 
+ acceleration/energy drift too large   3.07939850436848     
+   19.1888299866205       split increased to            2  itime      445264 
   itsplit           1
- acceleration/energy drift too large   7.32572888206697     
-   13.2809022899170       split increased to            2  itime      448687 
+ acceleration/energy drift too large   16.3041603497970     
+   85.8285879713034       split increased to            2  itime      445978 
   itsplit           1
- acceleration/energy drift too large   3.86677716779344     
-   10.9445539232198       split increased to            2  itime      448794 
+Momenta zeroed out, time            89199.80
+ acceleration/energy drift too large   5.39365561337589     
+   19.3121558917904       split increased to            2  itime      446416 
   itsplit           1
- acceleration/energy drift too large   4.05078391077987     
-   11.8161694019199       split increased to            2  itime      448838 
+Momenta zeroed out, time            89399.80
+Momenta zeroed out, time            89599.80
+ acceleration/energy drift too large   4.85452431687456     
+   11.5331652521852       split increased to            2  itime      448030 
   itsplit           1
 Momenta zeroed out, time            89799.80
 Velocities reset to random values, time            89999.80
 Momenta zeroed out, time            89999.80
- acceleration/energy drift too large   5.87538838821923     
-   19.0308877117049       split increased to            2  itime      450523 
+ acceleration/energy drift too large   6.21464597253230     
+   10.9551412961778       split increased to            2  itime      450901 
   itsplit           1
- acceleration/energy drift too large   2.12861061433178     
-   11.9175859210719       split increased to            2  itime      450543 
+ acceleration/energy drift too large   6.95511554103530     
+   14.0380739987081       split increased to            2  itime      450990 
   itsplit           1
 Momenta zeroed out, time            90199.80
- acceleration/energy drift too large   3.01732423976973     
-   12.3696741934001       split increased to            2  itime      451334 
+ acceleration/energy drift too large   12.4252235658846     
+   49.9897273594922       split increased to            2  itime      451305 
   itsplit           1
- acceleration/energy drift too large   4.62446764938490     
-   30.5816318968103       split increased to            2  itime      451705 
+ acceleration/energy drift too large   2.91479325051550     
+   11.4063939532872       split increased to            4  itime      451305 
+  itsplit           2
+ acceleration/energy drift too large   4.63468151236004     
+   15.9993703108911       split increased to            2  itime      451739 
   itsplit           1
 Momenta zeroed out, time            90399.80
- acceleration/energy drift too large   2.21890108665209     
-   11.3582871865135       split increased to            2  itime      452789 
+ acceleration/energy drift too large   2.08613452265556     
+   10.7334689536464       split increased to            2  itime      452185 
   itsplit           1
-Momenta zeroed out, time            90599.80
-Momenta zeroed out, time            90799.80
- acceleration/energy drift too large   4.02151834599132     
-   26.5853535730379       split increased to            2  itime      454414 
+ acceleration/energy drift too large   3.05944961438607     
+   10.6541542581783       split increased to            2  itime      452249 
+  itsplit           1
+ acceleration/energy drift too large   2.46872102844258     
+   11.2825103791982       split increased to            2  itime      452258 
   itsplit           1
- acceleration/energy drift too large   6.47761372554779     
-   19.9965756847856       split increased to            2  itime      454548 
+ acceleration/energy drift too large   4.11378706578756     
+   11.5023647392583       split increased to            2  itime      452315 
   itsplit           1
-Momenta zeroed out, time            90999.80
-Momenta zeroed out, time            91199.80
- acceleration/energy drift too large   5.66114200903364     
-   18.6102178416411       split increased to            2  itime      456120 
+ acceleration/energy drift too large   4.00072995581246     
+   10.4641127086074       split increased to            2  itime      452797 
+  itsplit           1
+Momenta zeroed out, time            90599.80
+ acceleration/energy drift too large   5.45309037582830     
+   15.6958728470508       split increased to            2  itime      453511 
   itsplit           1
- acceleration/energy drift too large   6.10935913261390     
-   25.4422391413147       split increased to            2  itime      456123 
+ acceleration/energy drift too large   16.1559565678616     
+   83.4713016599918       split increased to            2  itime      453533 
   itsplit           1
- acceleration/energy drift too large   6.11953419946548     
-   16.3941645240192       split increased to            2  itime      456321 
+ acceleration/energy drift too large   3.48780208939370     
+   16.9968438702637       split increased to            4  itime      453533 
+  itsplit           2
+ acceleration/energy drift too large   10.0528547983898     
+   50.5736892673398       split increased to            2  itime      453847 
   itsplit           1
- acceleration/energy drift too large   5.01035651639202     
-   24.9343760193743       split increased to            2  itime      456962 
+Momenta zeroed out, time            90799.80
+ acceleration/energy driftMomenta zeroed out, time            90399.80
+ acceleration/energy drift too large   5.68845001610773     
+   17.0573264049348       split increased to            2  itime      452376 
   itsplit           1
-Momenta zeroed out, time            91399.80
- acceleration/energy drift too large   3.21351537747199     
-   15.2989876622477       split increased to            2  itime      457077 
+ acceleration/energy drift too large   5.13128202630698     
+   10.1011892467272       split increased to            2  itime      452869 
   itsplit           1
- acceleration/energy drift too large   5.15084578954499     
-   23.1991624499156       split increased to            2  itime      457502 
+Momenta zeroed out, time            90599.80
+ acceleration/energy drift too large   5.49722484008195     
+   35.1704929961279       split increased to            2  itime      4533Momenta zeroed out, time            91399.80
+ acceleration/energy drift too large   5.16504791564233     
+   26.4841963509220       split increased to            2  itime      457147 
   itsplit           1
- acceleration/energy drift too large   4.34050757915047     
-   23.2732860039779       split increased to            2  itime      457515 
+ acceleration/energy drift too large   10.9697378598774     
+   50.3832658507746       split increased to            2  itime      457297 
   itsplit           1
 Momenta zeroed out, time            91599.80
+ acceleration/energy drift acceleration/energy drift too large   3.27852985450274     
+   12.2543778426813       split increased to            2  itime      4551 acceleration/energy drift too large   3.56766758994562     
+   12.6450522343408       split increased to            2  itime      458192 
+  itsplit           1
+ acceleration/energy drift too large   8.10115840002361     
+   33.8926745118420       split increased to            2  itime      458624 
+  itsplit           1
 Momenta zeroed out, time            91799.80
- acceleration/energy drift too large   4.72811529307615     
-   10.3509453289058       split increased to            2  itime      459426 
+ acceleration/energy drift too large   4.71075646351663     
+   25.7199714054521       split increased to            2  itime      459293 
   itsplit           1
- acceleration/energy drift too large   2.66523502826358     
-   15.2581665190839       split increased to            2  itime      459427 
+ acceleration/energy drift too large   5.98890377119035     
+   21.9644362486997       split increased to            2  itime      459882 
   itsplit           1
 Velocities reset to random values, time            91999.80
 Momenta zeroed out, time            91999.80
- acceleration/energy drift too large   13.4079144425002     
-   84.5439413624234       split increased to            2  itime      460376 
+Momenta zeroed out, time            92199.80
+ acceleration/energy drift too large   2.63649033158586     
+   16.0318366725705       split increased to            2  itime      461418 
   itsplit           1
- acceleration/energy drift too large   2.74230772982055     
-   10.7586738289465       split increased to            4  itime      460376 
+Momenta zeroed out, time            92399.80
+ acceleration/energy drift too large   5.29927862779063     
+   28.5520101313424       split increased to            2  itime      462042 
   itsplit           1
- acceleration/energy drift too large   4.34222142396743     
-   19.4316310306793       split increased to            2  itime      460462 
+ acceleration/energy drift too large   5.41449184854522     
+   13.8280960258487       split increased to            2  itime      462503 
   itsplit           1
- acceleration/energy drift too large   3.63444834226029     
-   18.8839850528134       split increased to            2  itime      460489 
+ acceleration/energy drift too large   12.6254789475656     
+   70.7173773703273       split increased to            2  itime      462772 
+  itsplit           1
+Momenta zeroed out, time            92599.80
+ acceleration/energy drift too large   4.55505887514501     
+   14.1952659329346       split increased to            2  itime      463635 
   itsplit           1
- acceleration/energy drift too large   5.96928504587536     
-   21.1530138995636       split increased to            2  itime      4606Momenta zeroed out, time            92799.80
-Momenta zeroed out, time            92999.80
- acceleration/energy driftMomenta zeroed out, time            92599.80
 Momenta zeroed out, time            92799.80
- acceleration/energy drift too large   10.7683862647804     
-   35.7271044464349       split increased to            2  itime      464118 
+Momenta zeroed out, time            92999.80
+ acceleration/energy drift too large   6.83770614879107     
+   16.3359627176851       split increased to            2  itime      465699 
   itsplit           1
- acceleration/energy drift too large   9.94478519578291     
-   48.9329578531277       split increased to            2  itime      464410 
-  itsplit           1
- acceleration/energy drift too large   5.23712704219889     
-   13.4174553833332       split increased to            2  itime      464817 
-  itsplit           1
-Momenta zeroed out, time            92999.80
- acceleration/energy drift too large   4.90099449297899     
-   16.2873085284973       split increased to            2  itime      465851 
+ acceleration/energy drift too large   11.9580988106237     
+   81.2004851448514       split increased to            2  itime      465848 
   itsplit           1
+ acceleration/energy drift too large   2.37677913844411     
+   13.0673420949574       split increased to            4  itime      465848 
+  itsplit           2
 Momenta zeroed out, time            93199.80
+ acceleration/energy drift too large   5.55297164339968     
+   29.1831698187645       split increased to            2  itime      466262 
+  itsplit           1
 Momenta zeroed out, time            93399.80
 Momenta zeroed out, time            93599.80
+ acceleration/energy drift too large   4.10684972145582     
+   28.0905535430538       split increased to            2  itime      468382 
+  itsplit           1
 Momenta zeroed out, time            93799.80
- acceleration/energy drift too large   6.88363227093557     
-   12.4823438756063       split increased to            2  itime      469307 
+ acceleration/energy drift too large   2.95763880856543     
+   19.1058901598801       split increased to            2  itime      469496 
   itsplit           1
 Velocities reset to random values, time            93999.80
 Momenta zeroed out, time            93999.80
- acceleration/energy drift too large   3.06713100102477     
-   10.6176891789871       split increased to            2  itime      470368 
-  itsplit           1
 Momenta zeroed out, time            94199.80
 Momenta zeroed out, time            94399.80
- acceleration/energy drift too large   2.44124155663275     
-   10.1347884729301       split increased to            2  itime      472893 
-  itsplit           1
 Momenta zeroed out, time            94599.80
- acceleration/energy drift too large   3.08927701005194     
-   20.4251264028772       split increased to            2  itime      473136 
-  itsplit           1
- acceleration/energy drift too large   3.73950553732513     
-   15.7318705527359       split increased to            2  itime      473561 
-  itsplit           1
- acceleration/energy drift too large   3.87697529213754     
-   13.1749380486145       split increased to            2  itime      473565 
-  itsplit           1
- acceleration/energy drift too large   5.66764841264853     
-   21.3450892050246       split increased to            2  itime      473641 
-  itsplit           1
- acceleration/energy drift too large   5.69964098761579     
-   18.9046572166782       split increased to            2  itime      473688 
-  itsplit           1
- acceleration/energy drift too large   3.81178315396093     
-   13.3454842897041       split increased to            2  itime      473815 
-  itsplit           1
 Momenta zeroed out, time            94799.80
- acceleration/energy drift too large   6.56520664218442     
-   16.0203884762885       split increased to            2  itime      474302 
-  itsplit           1
- acceleration/energy drift too large   5.15733520284973     
-   10.9123611073623       split increased to            2  itime      474881 
-  itsplit           1
 Momenta zeroed out, time            94999.80
- acceleration/energy drift too large   3.54184038101550     
-   10.7148975518532       split increased to            2  itime      475117 
-  itsplit           1
 Momenta zeroed out, time            95199.80
- acceleration/energy drift too large   3.50210216203801     
-   10.7503067714931       split increased to            2  itime      476173 
-  itsplit           1
- acceleration/energy drift too large   3.77087144589325     
-   16.5865303384716       split increased to            2  itime      476504 
+ acceleration/energy drift too large   4.71529761221421     
+   12.0269068878537       split increased to            2  itime      476400 
   itsplit           1
- acceleration/energy drift too large   2.58887778831472     
-   14.6638962597568       split increased to            2  itime      476771 
-  itsplit           1
- acceleration/energy drift too large   4.79515256440104     
-   18.4848061123750       split increased to            2  itime      476952 
+ acceleration/energy drift too large   3.82848775357264     
+   11.9722575133302       split increased to            2  itime      476702 
   itsplit           1
 Momenta zeroed out, time            95399.80
- acceleration/energy drift too large   7.44555109515599     
-   10.5862251507783       split increased to            2  itime      477094 
-  itsplit           1
 Momenta zeroed out, time            95599.80
- acceleration/energy drift too large   5.08087913215635     
-   10.3658320919825       split increased to            2  itime      478357 
-  itsplit           1
- acceleration/energy drift too large   3.86121457868607     
-   10.2326352780971       split increased to            2  itime      478493 
-  itsplit           1
- acceleration/energy drift too large   3.17212673541418     
-   11.8235254239571       split increased to            2  itime      478747 
-  itsplit           1
 Momenta zeroed out, time            95799.80
 Velocities reset to random values, time            95999.80
 Momenta zeroed out, time            95999.80
- acceleration/energy drift too large   13.6268199405117     
-   58.2734950955064       split increased to            2  itime      480053 
-  itsplit           1
- acceleration/energy drift too large   4.92684960847414     
-   25.3880660854764       split increased to            2  itime      480067 
-  itsplit           1
- acceleration/energy drift too large   4.92362333350348     
-   15.1595358675659       split increased to            2  itime      480322 
-  itsplit           1
- acceleration/energy drift too large   9.24125784815775     
-   44.4086484855692       split increased to            2  itime      480856 
+ acceleration/energy drift too large   4.82821099008903     
+   14.1388813890297       split increased to            2  itime      480180 
   itsplit           1
 Momenta zeroed out, time            96199.80
- acceleration/energy drift too large   3.27680168654184     
-   27.1530485763680       split increased to            2  itime      481083 
-  itsplit           1
- acceleration/energy drift too large   5.07419400845662     
-   11.5260318773925       split increased to            2  itime      481094 
-  itsplit           1
- acceleration/energy drift too large   3.18787703662524     
-   15.7031032002454       split increased to            2  itime      481287 
+ acceleration/energy drift too large   3.54856231586989     
+   13.5661806742238       split increased to            2  itime      481155 
   itsplit           1
- acceleration/energy drift too large   3.74782054927269     
-   11.9267967240184       split increased to            2  itime      481332 
-  itsplit           1
- acceleration/energy drift too large   4.54783105256277     
-   30.5621256425322       split increased to            2  itime      481445 
-  itsplit           1
- acceleration/energy drift too large   6.47527437590300     
-   10.7885132259885       split increased to            2  itime      481476 
-  itsplit           1
- acceleration/energy drift too large   5.15288066097793     
-   33.8147636456325       split increased to            2  itime      481626 
+ acceleration/energy drift too large   4.30139109693902     
+   16.3529214012049       split increased to            2  itime      481246 
   itsplit           1
 Momenta zeroed out, time            96399.80
- acceleration/energy drift too large   8.86545179125507     
-   32.9468487714251       split increased to            2  itime      482103 
-  itsplit           1
- acceleration/energy drift too large   10.0489191572495     
-   34.7131940473131       split increased to            2  itime      482767 
-  itsplit           1
- acceleration/energy drift too large   2.29080844455117     
-   12.8327347442249       split increased to            2  itime      482768 
+ acceleration/energy drift too large   3.97852540219283     
+   10.5445002784860       split increased to            2  itime      482338 
   itsplit           1
 Momenta zeroed out, time            96599.80
-Momenta zeroed out, time            96799.80
- acceleration/energy drift too large   6.23810254525570     
-   28.1511803101458       split increased to            2  itime      484110 
+ acceleration/energy drift too large   2.64320257149637     
+   10.3661207714686       split increased to            2  itime      483240 
   itsplit           1
- acceleration/energy drift too large   4.43709057844768     
-   17.3726019194658       split increased to            2  itime      484877 
+ acceleration/energy drift too large   9.21796177094160     
+   32.0913706275307       split increased to            2  itime      483455 
   itsplit           1
- acceleration/energy drift too large   3.46168328220102     
-   11.7139228404003       split increased to            2  itime      484900 
+ acceleration/energy drift too large   10.9338945908397     
+   49.0374487491747       split increased to            2  itime      483820 
+  itsplit           1
+ acceleration/energy drift too large   2.87458675992386     
+   13.5630090571029       split increased to            4  itime      483820 
+  itsplit           2
+Momenta zeroed out, time            96799.80
+ acceleration/energy drift too large   4.79697642892327     
+   10.5031630601340       split increased to            2  itime      484426 
   itsplit           1
- acceleration/energy drift too large   3.62051197145207     
-   12.0922294750735       split increased to            2  itime      484989 
+ acceleration/energy drift too large   13.6213859226385     
+   67.4384337171738       split increased to            2  itime      484684 
   itsplit           1
 Momenta zeroed out, time            96999.80
- acceleration/energy drift too large   3.35333400035014     
-   16.4173998657761       split increased to            2  itime      485548 
-  itsplit           1
- acceleration/energy drift too large   2.31593581727169     
-   15.7079888026539       split increased to            2  itime      485955 
+ acceleration/energy drift too large   4.47591065685634     
+   10.6004830832622       split increased to            2  itime      485965 
   itsplit           1
 Momenta zeroed out, time            97199.80
- acceleration/energy drift too large   2.23376422711886     
-   11.9189632911047       split increased to            2  itime      486385 
-  itsplit           1
- acceleration/energy drift too large   2.11952577406226     
-   10.6945377826197       split increased to            2  itime      486675 
-  itsplit           1
 Momenta zeroed out, time            97399.80
- acceleration/energy drift too large   7.78611844765795     
-   28.7129323490890       split increased to            2  itime      487532 
-  itsplit           1
- acceleration/energy drift too large   4.99359096733493     
-   11.7265163440339       split increased to            2  itime      487960 
+ acceleration/energy drift too large   2.35750210373180     
+   13.3686029724683       split increased to            2  itime      487667 
   itsplit           1
 Momenta zeroed out, time            97599.80
-Momenta zeroed out, time            97799.80
- acceleration/energy drift too large   5.04191979636722     
-   17.1849168108535       split increased to            2  itime      489339 
+ acceleration/energy drift too large   2.92326132324605     
+   11.2369233983873       split increased to            2  itime      488550 
   itsplit           1
+ acceleration/energy drift too large   5.26887414827963     
+   10.6624113413709       split increased to            2  itime      488601 
+  itsplit           1
+Momenta zeroed out, time            97799.80
 Velocities reset to random values, time            97999.80
 Momenta zeroed out, time            97999.80
-Momenta zeroed out, time            98199.80
- acceleration/energy drift too large   3.04359367440322     
-   15.4144668794617       split increased to            2  itime      491607 
+ acceleration/energy drift too large   2.72152731539701     
+   10.8735091260953       split increased to            2  itime      490570 
   itsplit           1
+Momenta zeroed out, time            98199.80
 Momenta zeroed out, time            98399.80
- acceleration/energy drift too large   5.09669997634458     
-   12.3528905353993       split increased to            2  itime      492893 
+ acceleration/energy drift too large   9.30568602348411     
+   43.6224995015623       split increased to            2  itime      492010 
+  itsplit           1
+ acceleration/energy drift too large   3.90395861642365     
+   12.1712320703741       split increased to            2  itime      492783 
   itsplit           1
 Momenta zeroed out, time            98599.80
+ acceleration/energy drift too large   4.71035673133549     
+   15.5024109592792       split increased to            2  itime      493800 
+  itsplit           1
 Momenta zeroed out, time            98799.80
- acceleration/energy drift too large   6.19840593227631     
-   26.0949930828280       split increased to            2  itime      494479 
+ acceleration/energy drift too large   7.15431563159630     
+   27.8111008360711       split increased to            2  itime      494068 
+  itsplit           1
+ acceleration/energy drift too large   9.46297687862121     
+   42.3315972207484       split increased to            2  itime      494684 
   itsplit           1
 Momenta zeroed out, time            98999.80
- acceleration/energy drift too large   2.76121644443565     
-   14.2929917568581       split increased to            2  itime      495317 
+ acceleration/energy drift too large   6.61295536856627     
+   20.5076970062156       split increased to            2  itime      495855 
   itsplit           1
-Momenta zeroed out, time            99199.80
- acceleration/energy drift too large   5.59464550355905     
-   20.2198985696221       split increased to            2  itime      496061 
+ acceleration/energy drift too large   11.0775163380193     
+   65.5629939128542       split increased to            2  itime      495922 
   itsplit           1
- acceleration/energy drift too large   9.49358100233610     
-   59.1188698016791       split increased to            2  itime      496522 
+Momenta zeroed out, time            99199.80
+ acceleration/energy drift too large   8.35313981746737     
+   28.0755825358526       split increased to            2  itime      496878 
   itsplit           1
- acceleration/energy drift too large   3.34930624350517     
-   17.7284269467310       split increased to            2  itime      496642 
+ acceleration/energy drift too large   2.80246825475221     
+   17.0349806943988       split increased to            4  itime      496878 
   itsplit           1
 Momenta zeroed out, time            99399.80
- acceleration/energy drift too large   5.36035661151498     
-   12.0360934844656       split increased to            2  itime      497237 
-  itsplit           1
- acceleration/energy drift too large   5.02703930606187     
-   14.9455487676106       split increased to            2  itime      497755 
+ acceleration/energy drift too large   5.57133785431371     
+   13.7229675826989       split increased to            2  itime      497037 
   itsplit           1
-Momenta zeroed out, time            99599.80
- acceleration/energy drift too large   4.14223365914386     
-   11.9060014491495       split increased to            2  itime      498243 
+ acceleration/energy drift too large   6.46696752946916     
+   18.9714986212121       split increased to            2  itime      497966 
   itsplit           1
- acceleration/energy drift too large   3.51071224193547     
-   15.8692121853162       split increased to            2  itime      498289 
+ acceleration/energy drift too large   2.42713587532458     
+   10.2357229422696       split increased to            4  itime      497966 
   itsplit           1
- acceleration/energy drift too large   3.49361829277224     
-   15.6616063273159       split increased to            2  itime      498455 
+Momenta zeroed out, time            99599.80
+ acceleration/energy drift too large   4.55794374998185     
+   12.1643359947440       split increased to            2  itime      498065 
   itsplit           1
 Momenta zeroed out, time            99799.80
- acceleration/energy drift too large   8.31847963932394     
-   32.1010489040454       split increased to            2  itime      499504 
+ acceleration/energy drift too large   5.88234594217414     
+   16.1853114069907       split increased to            2  itime      499557 
   itsplit           1
 Velocities reset to random values, time            99999.80
 Momenta zeroed out, time            99999.80
- acceleration/energy drift too large   5.82827180153250     
-   39.6508368745325       split increased to            2  itime      500827 
+ acceleration/energy drift too large   2.78905918752308     
+   11.6674825731510       split increased to            2  itime      500181 
   itsplit           1
- acceleration/energy drift too large   7.57019766320561     
-   55.6558498232337       split increased to            2  itime      500884 
+ acceleration/energy drift too large   10.7287847275877     
+   52.2793627870329       split increased to            2  itime      500249 
   itsplit           1
-Momenta zeroed out, time           100199.80
- acceleration/energy drift too large   9.51481313861939     
-   44.1474046077895       split increased to            2  itime      501890 
+ acceleration/energy drift too large   3.05800983622414     
+   12.3242111180238       split increased to            2  itime      500250 
+  itsplit           1
+ acceleration/energy drift too large   1.75892092408847     
+   10.5751528162518       split increased to            2  itime      500577 
   itsplit           1
- acceleration/energy drift too large   2.60518598138826     
-   12.5026324841001       split increased to            4  itime      501890 
+Momenta zeroed out, time           100199.80
+ acceleration/energy drift too large   3.06008660757386     
+   13.8091623336324       split increased to            2  itime      501086 
   itsplit           1
 Momenta zeroed out, time           100399.80
- acceleration/energy drift too large   2.25415536519244     
-   10.9333879342240       split increased to            2  itime      502187 
+ acceleration/energy drift too large   4.31237640526060     
+   20.4386319293416       split increased to            2  itime      502619 
   itsplit           1
-Momenta zeroed out, time           100599.80
- acceleration/energy drift too large   5.94702588788468     
-   20.7828253374537       split increased to            2  itime      503711 
+ acceleration/energy drift too large   4.26267512392448     
+   12.7940135035698       split increased to            2  itime      502844 
   itsplit           1
- acceleration/energy drift too large   8.98637051367106     
-   33.2697591477772       split increased to            2  itime      503830 
+ acceleration/energy drift too large   5.64672600544861     
+   18.6154302437444       split increased to            2  itime      502978 
   itsplit           1
+Momenta zeroed out, time           100599.80
 Momenta zeroed out, time           100799.80
- acceleration/energy drift too large   4.67007566467984     
-   26.2979115980272       split increased to            2  itime      504174 
+ acceleration/energy drift too large   4.55171186948740     
+   12.3165322944953       split increased to            2  itime      504197 
   itsplit           1
- acceleration/energy drift too large   4.31411966282908     
-   22.0982012767290       split increased to            2  itime      504451 
+ acceleration/energy drift too large   4.02478760986692     
+   11.0028529687123       split increased to            2  itime      504918 
   itsplit           1
 Momenta zeroed out, time           100999.80
+ acceleration/energy drift too large   8.78017380771316     
+   44.2176048176792       split increased to            2  itime      505692 
+  itsplit           1
 Momenta zeroed out, time           101199.80
- acceleration/energy drift too large   9.63722410581394     
-   52.8551552020724       split increased to            2  itime      506311 
+ acceleration/energy drift too large   3.95318763383780     
+   18.6365173116400       split increased to            2  itime      506357 
   itsplit           1
 Momenta zeroed out, time           101399.80
+ acceleration/energy drift too large   9.08728895247535     
+   34.5868460828091       split increased to            2  itime      507075 
+  itsplit           1
 Momenta zeroed out, time           101599.80
- acceleration/energy drift too large   5.23574997397402     
-   15.7520356754063       split increased to            2  itime      508011 
+Momenta zeroed out, time           101799.80
+ acceleration/energy drift too large   5.79123060576622     
+   21.7768709822459       split increased to            2  itime      509530 
   itsplit           1
- acceleration/energy drift too large   3.84260370244282     
-   12.5682144293846       split increased to            2  itime      508339 
+ acceleration/energy drift too large   7.80380976323596     
+   23.2828672759603       split increased to            2  itime      509793 
   itsplit           1
-Momenta zeroed out, time           101799.80
 Velocities reset to random values, time           101999.80
 Momenta zeroed out, time           101999.80
- acceleration/energy drift too large   3.08003078221450     
-   20.0954771860524       split increased to            2  itime      510590 
+ acceleration/energy drift too large   2.80930102643028     
+   21.2874817274698       split increased to            2  itime      510621 
   itsplit           1
-Momenta zeroed out, time           102199.80
- acceleration/energy drift too large   4.24479972435069     
-   16.2383710348221       split increased to            2  itime      511033 
+ acceleration/energy drift too large   7.54708112305249     
+   16.2924397962139       split increased to            2  itime      510967 
   itsplit           1
- acceleration/energy drift too large   11.0954358932911     
-   52.3553241186659       split increased to            2  itime      511439 
+Momenta zeroed out, time           102199.80
+ acceleration/energy drift too large   5.57126589807446     
+   11.6829561709035       split increased to            2  itime      511303 
   itsplit           1
- acceleration/energy drift too large   2.32618286041974     
-   10.0985315960524       split increased to            4  itime      511439 
-  itsplit           2
 Momenta zeroed out, time           102399.80
+ acceleration/energy drift too large   6.30858778368242     
+   16.9129609752741       split increased to            2  itime      512288 
+  itsplit           1
 Momenta zeroed out, time           102599.80
- acceleration/energy drift too large   5.58093392513776     
-   19.0893148085926       split increased to            2  itime      513383 
+ acceleration/energy drift too large   5.35062568757513     
+   13.2194504440591       split increased to            2  itime      513656 
   itsplit           1
- acceleration/energy drift too large   3.52056884927088     
-   11.3325691742487       split increased to            2  itime      513870 
+ acceleration/energy drift too large   6.62184079607738     
+   13.9132865111274       split increased to            2  itime      513667 
   itsplit           1
 Momenta zeroed out, time           102799.80
- acceleration/energy drift too large   4.96737730651397     
-   12.0096012373344       split increased to            2  itime      514396 
+ acceleration/energy drift too large   6.32343896610440     
+   20.6312296069927       split increased to            2  itime      514217 
   itsplit           1
- acceleration/energy drift too large   5.68682380148730     
-   13.0709253717083       split increased to            2  itime      514652 
+ acceleration/energy drift too large   4.34623118268101     
+   15.5762353675913       split increased to            2  itime      514601 
   itsplit           1
-Momenta zeroed out, time           102999.80
- acceleration/energy drift too large   3.98654240346264     
-   10.3957603588711       split increased to            2  itime      515788 
+ acceleration/energy drift too large   6.28459084079640     
+   41.7953743064182       split increased to            2  itime      514636 
   itsplit           1
-Momenta zeroed out, time           103199.80
- acceleration/energy drift too large   7.57714711891510     
-   29.9467696527580       split increased to            2  itime      516907 
+Momenta zeroed out, time           102999.80
+ acceleration/energy drift too large   4.09329073199007     
+   12.4468710275831       split increased to            2  itime      515490 
   itsplit           1
-Momenta zeroed out, time           103399.80
- acceleration/energy drift too large   2.38457085448658     
-   13.2251655627377       split increased to            2  itime      517143 
+ acceleration/energy drift too large   4.43184636358376     
+   15.1573697206237       split increased to            2  itime      515580 
   itsplit           1
-Momenta zeroed out, time           103599.80
- acceleration/energy drift too large   3.40982630522233     
-   11.2023142421621       split increased to            2  itime      518155 
+ acceleration/energy drift too large   2.38400951527217     
+   15.8746203742046       split increased to            2  itime      515632 
   itsplit           1
- acceleration/energy drift too large   3.66639095977652     
-   24.4570658964563       split increased to            2  itime      518276 
+ acceleration/energy drift too large   2.32726242237922     
+   11.5305056039133       split increased to            2  itime      515783 
   itsplit           1
- acceleration/energy drift too large   6.24354660269259     
-   15.7286638824073       split increased to            2  itime      518356 
+Momenta zeroed out, time           103199.80
+ acceleration/energy drift too large   7.74950401197576     
+   27.6111607979797       split increased to            2  itime      516582 
   itsplit           1
- acceleration/energy drift too large   5.41282625128533     
-   26.3231367570950       split increased to            2  itime      518837 
+ acceleration/energy drift too large   2.07545465729329     
+   11.4957235888766       split increased to            2  itime      516583 
   itsplit           1
- acceleration/energy drift too large   3.14860429471554     
-   12.1590518768702       split increased to            2  itime      518838 
+Momenta zeroed out, time           103399.80
+ acceleration/energy drift too large   3.41529394780819     
+   12.3659814570087       split increased to            2  itime      517654 
   itsplit           1
- acceleration/energy drift too large   3.68362393529401     
-   15.2425159809956       split increased to            2  itime      518948 
+Momenta zeroed out, time           103599.80
+ acceleration/energy drift too large   5.15607610207842     
+   10.0220743374097       split increased to            2  itime      518389 
   itsplit           1
 Momenta zeroed out, time           103799.80
- acceleration/energy drift too large   4.05378201626166     
-   13.2326458547521       split increased to            2  itime      519000 
-  itsplit           1
- acceleration/energy drift too large   5.73420285997018     
-   19.1495519615366       split increased to            2  itime      519006 
-  itsplit           1
- acceleration/energy drift too large   4.78690941087768     
-   10.3192019880161       split increased to            2  itime      519307 
+ acceleration/energy drift too large   3.52924602618442     
+   14.9155434510271       split increased to            2  itime      519426 
   itsplit           1
 Velocities reset to random values, time           103999.80
 Momenta zeroed out, time           103999.80
+ acceleration/energy drift too large   4.10836921778293     
+   12.0036029590971       split increased to            2  itime      520737 
+  itsplit           1
+ acceleration/energy drift too large   4.04544254996856     
+   17.3623134723895       split increased to            2  itime      520942 
+  itsplit           1
 Momenta zeroed out, time           104199.80
- acceleration/energy drift too large   2.89742153718594     
-   11.4695092860000       split increased to            2  itime      521289 
+ acceleration/energy drift too large   6.37198471716843     
+   21.9717279471526       split increased to            2  itime      521092 
   itsplit           1
- acceleration/energy drift too large   5.55240970231638     
-   15.7295168768791       split increased to            2  itime      521396 
+ acceleration/energy drift too large   4.17743493975826     
+   26.2739022008053       split increased to            2  itime      521322 
   itsplit           1
- acceleration/energy drift too large   4.61028539294369     
-   22.3416910831443       split increased to            2  itime      521838 
+ acceleration/energy drift too large   2.91643578037507     
+   13.6302147236196       split increased to            2  itime      521323 
   itsplit           1
-Momenta zeroed out, time           104399.80
- acceleration/energy drift too large   4.73116591675518     
-   11.9420654134044       split increased to            2  itime      522387 
+ acceleration/energy drift too large   2.86993501432746     
+   12.0195405618094       split increased to            2  itime      521707 
   itsplit           1
- acceleration/energy drift too large   9.35578930305048     
-   32.8495130094214       split increased to            2  itime      522686 
+ acceleration/energy drift too large   4.39475446480677     
+   21.9697723269005       split increased to            2  itime      521768 
   itsplit           1
+Momenta zeroed out, time           104399.80
 Momenta zeroed out, time           104599.80
- acceleration/energy drift too large   2.83188688024566     
-   21.7368161041796       split increased to            2  itime      523238 
+ acceleration/energy drift too large   8.39260533144689     
+   40.0835475266257       split increased to            2  itime      523525 
   itsplit           1
 Momenta zeroed out, time           104799.80
- acceleration/energy drift too large   8.91930987494826     
-   33.2138244307258       split increased to            2  itime      524913 
+ acceleration/energy drift too large   7.47860293397000     
+   19.8877634428305       split increased to            2  itime      524256 
   itsplit           1
- acceleration/energy drift too large   9.56112493091283     
-   48.4662617121977       split increased to            2  itime      524976 
+ acceleration/energy drift too large   4.15067731101817     
+   10.4733027246843       split increased to            2  itime      524279 
   itsplit           1
- acceleration/energy drift too large   2.46533488683398     
-   12.2335466868530       split increased to            4  itime      524976 
-  itsplit           2
 Momenta zeroed out, time           104999.80
- acceleration/energy drift too large   2.27904933995311     
-   12.0454278531851       split increased to            2  itime      525564 
-  itsplit           1
- acceleration/energy drift too large   7.10194462649577     
-   25.3639012890417       split increased to            2  itime      525588 
-  itsplit           1
- acceleration/energy drift too large   1.95043348268404     
-   13.6605953203547       split increased to            2  itime      525589 
-  itsplit           1
- acceleration/energy drift too large   7.18047414920698     
-   33.2390502292863       split increased to            2  itime      525813 
-  itsplit           1
- acceleration/energy drift too large   8.68097663870133     
-   18.4014127771841       split increased to            2  itime      525815 
+ acceleration/energy drift too large   4.30459117267199     
+   11.0532767759629       split increased to            2  itime      525176 
   itsplit           1
 Momenta zeroed out, time           105199.80
- acceleration/energy drift too large   12.2816419260449     
-   68.8583081972818       split increased to            2  itime      526557 
+ acceleration/energy drift too large   2.70041185381334     
+   17.3734654099737       split increased to            2  itime      526610 
   itsplit           1
-Momenta zeroed out, time           105399.80
- acceleration/energy drift too large   6.36347664129749     
-   13.8774541116098       split increased to            2  itime      527839 
+ acceleration/energy drift too large   2.88211884557599     
+   15.6586617067970       split increased to            2  itime      526932 
   itsplit           1
+Momenta zeroed out, time           105399.80
 Momenta zeroed out, time           105599.80
- acceleration/energy drift too large   6.68309842323428     
-   30.2786897951447       split increased to            2  itime      528013 
-  itsplit           1
- acceleration/energy drift too large   3.00852279776276     
-   13.2565183151875       split increased to            2  itime      528900 
+ acceleration/energy drift too large   5.53360144596760     
+   15.1826589513740       split increased to            2  itime      528259 
   itsplit           1
 Momenta zeroed out, time           105799.80
- acceleration/energy drift too large   4.09036789459661     
-   14.0282973008416       split increased to            2  itime      529702 
+ acceleration/energy drift too large   3.97141354071199     
+   11.3724453812786       split increased to            2  itime      529043 
   itsplit           1
 Velocities reset to random values, time           105999.80
 Momenta zeroed out, time           105999.80
- acceleration/energy drift too large   3.19989208512724     
-   27.6232340688865       split increased to            2  itime      530503 
-  itsplit           1
- acceleration/energy drift too large   4.61607403866980     
-   10.5870275040119       split increased to            2  itime      530568 
-  itsplit           1
- acceleration/energy drift too large   2.55938544108273     
-   16.1769063550333       split increased to            2  itime      530606 
-  itsplit           1
- acceleration/energy drift too large   2.34115827139018     
-   12.0474448481915       split increased to            2  itime      530832 
+ acceleration/energy drift too large   2.03276050011223     
+   10.8258240534074       split increased to            2  itime      530542 
   itsplit           1
 Momenta zeroed out, time           106199.80
- acceleration/energy drift too large   17.1328727522599     
-   123.282120072752       split increased to            2  itime      531666 
-  itsplit           1
- acceleration/energy drift too large   12.9413695752685     
-   64.3229423994233       split increased to            2  itime      531797 
-  itsplit           1
- acceleration/energy drift too large   6.15317841515217     
-   18.3499289177272       split increased to            2  itime      531983 
-  itsplit           1
 Momenta zeroed out, time           106399.80
- acceleration/energy drift too large   5.97368168143355     
-   10.9540993565723       split increased to            2  itime      532219 
-  itsplit           1
- acceleration/energy drift too large   5.60761219861349     
-   32.3769053024667       split increased to            2  itime      532407 
-  itsplit           1
- acceleration/energy drift too large   7.95784490340298     
-   55.4743789829843       split increased to            2  itime      532408 
-  itsplit           1
- acceleration/energy drift too large   4.05861383059692     
-   12.5634990102322       split increased to            2  itime      532415 
-  itsplit           1
- acceleration/energy drift too large   3.92765915730097     
-   10.9557346189782       split increased to            2  itime      532417 
-  itsplit           1
 Momenta zeroed out, time           106599.80
- acceleration/energy drift too large   2.06822656375847     
-   11.9901367355564       split increased to            2  itime      533021 
-  itsplit           1
 Momenta zeroed out, time           106799.80
- acceleration/energy drift too large   3.52593622107534     
-   10.6090854952788       split increased to            2  itime      534185 
+ acceleration/energy drift too large   2.29748110881924     
+   11.9275068989193       split increased to            2  itime      534564 
   itsplit           1
- acceleration/energy drift too large   7.09908650856541     
-   17.6779151095812       split increased to            2  itime      534810 
+ acceleration/energy drift too large   5.69808365079063     
+   22.5233923865176       split increased to            2  itime      534624 
   itsplit           1
 Momenta zeroed out, time           106999.80
 Momenta zeroed out, time           107199.80
- acceleration/energy drift too large   5.74687343512284     
-   11.1944279375275       split increased to            2  itime      536922 
+ acceleration/energy drift too large   13.0819881113770     
+   58.4152925451192       split increased to            2  itime      536022 
+  itsplit           1
+ acceleration/energy drift too large   3.29976429742823     
+   15.5343408742773       split increased to            2  itime      536023 
+  itsplit           1
+ acceleration/energy drift too large   4.81944138782244     
+   15.1380141967468       split increased to            2  itime      536420 
+  itsplit           1
+ acceleration/energy drift too large   10.0502784266078     
+   33.0538165714405       split increased to            2  itime      536586 
   itsplit           1
 Momenta zeroed out, time           107399.80
+ acceleration/energy drift too large   2.82714623566259     
+   11.0717688514469       split increased to            2  itime      537181 
+  itsplit           1
+ acceleration/energy drift too large   4.47805026380242     
+   18.4529294909061       split increased to            2  itime      537790 
+  itsplit           1
 Momenta zeroed out, time           107599.80
- acceleration/energy drift too large   4.55303667276384     
-   14.9521119720036       split increased to            2  itime      538855 
+ acceleration/energy drift too large   3.01886279521795     
+   19.9561696040081       split increased to            2  itime      538602 
+  itsplit           1
+ acceleration/energy drift too large   1.92219301346528     
+   11.0138127933948       split increased to            2  itime      538603 
   itsplit           1
 Momenta zeroed out, time           107799.80
+ acceleration/energy drift too large   2.76232055064907     
+   12.9349815700375       split increased to            2  itime      539173 
+  itsplit           1
 Velocities reset to random values, time           107999.80
 Momenta zeroed out, time           107999.80
- acceleration/energy drift too large   5.45323796832515     
-   32.2846324319798       split increased to            2  itime      540053 
+ acceleration/energy drift too large   10.5241698938664     
+   50.6512457222055       split increased to            2  itime      540074 
+  itsplit           1
+ acceleration/energy drift too large   10.0003294577543     
+   37.3846671969621       split increased to            2  itime      540305 
+  itsplit           1
+ acceleration/energy drift too large   8.42118007827031     
+   39.3906322955277       split increased to            2  itime      540584 
   itsplit           1
 Momenta zeroed out, time           108199.80
- acceleration/energy drift too large   3.19328424503610     
-   12.2581451607959       split increased to            2  itime      541137 
+ acceleration/energy drift too large   4.60617544050051     
+   12.5790554069203       split increased to            2  itime      541325 
+  itsplit           1
+ acceleration/energy drift too large   9.06084504180275     
+   26.9409668726771       split increased to            2  itime      541370 
   itsplit           1
 Momenta zeroed out, time           108399.80
- acceleration/energy drift too large   9.21025611905177     
-   38.9828499803523       split increased to            2  itime      542345 
+ acceleration/energy drift too large   6.80357558407199     
+   25.6663142395657       split increased to            2  itime      542865 
   itsplit           1
 Momenta zeroed out, time           108599.80
- acceleration/energy drift too large   4.73287691029691     
-   10.6023914801084       split increased to            2  itime      543618 
+ acceleration/energy drift too large   4.25428520784080     
+   10.8109809271539       split increased to            2  itime      543317 
   itsplit           1
 Momenta zeroed out, time           108799.80
 Momenta zeroed out, time           108999.80
- acceleration/energy drift too large   4.74953090700155     
-   14.2515944538570       split increased to            2  itime      545822 
+ acceleration/energy drift too large   5.64142601281678     
+   15.3307190670340       split increased to            2  itime      545684 
+  itsplit           1
+ acceleration/energy drift too large   6.76899045489092     
+   50.8380260042577       split increased to            2  itime      545878 
   itsplit           1
+ acceleration/energy drift too large   1.49376262685697     
+   10.5768206261241       split increased to            4  itime      545878 
+  itsplit           2
 Momenta zeroed out, time           109199.80
- acceleration/energy drift too large   7.99001761619856     
-   19.0920094429790       split increased to            2  itime      546241 
+ acceleration/energy drift too large   5.38080676574565     
+   16.0968653349861       split increased to            2  itime      546027 
+  itsplit           1
+ acceleration/energy drift too large   2.51990469540485     
+   10.0596457192263       split increased to            2  itime      546124 
+  itsplit           1
+ acceleration/energy drift too large   5.02542307801121     
+   22.8888454697334       split increased to            2  itime      546302 
+  itsplit           1
+ acceleration/energy drift too large   10.4567688013269     
+   53.5572768535263       split increased to            2  itime      546902 
   itsplit           1
 Momenta zeroed out, time           109399.80
- acceleration/energy drift too large   3.61785268007840     
-   18.3928762618006       split increased to            2  itime      547217 
+ acceleration/energy drift too large   6.10722196843318     
+   13.2683600548497       split increased to            2  itime      547146 
   itsplit           1
-Momenta zeroed out, time           109599.80
- acceleration/energy drift too large   6.89631636528593     
-   34.2125620729465       split increased to            2  itime      548357 
+ acceleration/energy drift too large   10.1112258638978     
+   38.8522616700242       split increased to            2  itime      547594 
   itsplit           1
- acceleration/energy drift too large   6.86834309728666     
-   12.8384414149917       split increased to            2  itime      548919 
+Momenta zeroed out, time           109599.80
+ acceleration/energy drift too large   4.50050125511340     
+   13.5418603504675       split increased to            2  itime      548469 
   itsplit           1
 Momenta zeroed out, time           109799.80
- acceleration/energy drift too large   7.45587552332642     
-   25.0161943519645       split increased to            2  itime      549063 
+ acceleration/energy drift too large   8.91157540971340     
+   45.6861387121919       split increased to            2  itime      549060 
   itsplit           1
- acceleration/energy drift too large   5.03621058906606     
-   13.6188151150172       split increased to            2  itime      549064 
+ acceleration/energy drift too large   4.95073886280704     
+   29.7521086152090       split increased to            2  itime      549061 
+  itsplit           1
+ acceleration/energy drift too large   6.35439130575887     
+   10.2865810332806       split increased to            2  itime      549217 
+  itsplit           1
+ acceleration/energy drift too large   5.19957901980535     
+   13.4380785227837       split increased to            2  itime      549948 
+  itsplit           1
+Velocities reset to random acceleration/energy drift too large   4.84705460382930     
+   10.719470796910 acceleration/energy drift too large   2.99961259194619     
+   24.8906838159088       split increased to            2  itime      550490 
+  itsplit           1
+ acceleration/energy drift too large   3.51085834733249     
+   11.4557241552100       split increased to            2  itime      550651 
+  itsplit           1
+ acceleration/energy drift too large   5.19488750713049     
+   28.8244002799992       split increased to            2  itime      550795 
+  itsplit           1
+ acceleration/energy drift too large   2.36534395018137     
+   12.0506923706213       split increased to            2  itime      550930 
   itsplit           1
-Velocities reset to random values, time           109999.80
-Momenta zeroed out, time           109999.80
 Momenta zeroed out, time           110199.80
- acceleration/energy drift too large   3.75291584072189     
-   14.3051459418881       split increased to            2  itime      551033 
+ acceleration/energy drift too large   3.52088471393487     
+   12.0474063351162       split increased to            2  itime   acceleration/energy drift too large   5.23333297508200     
+   11.3333939280013       split increased to            2  itime      548804 
   itsplit           1
- acceleration/energy drift too large   3.44099444727584     
-   25.4166313583477       split increased to            2  itime      551546 
+Momenta zeroed out, time           109799.80
+Velocities reset to random values, time           109999.80
+Momenta zeroed out, time           109999.80
+ acceleration/energy drift too large   6.60494923537289     
+   21.2791668907281       split increased to            2  itime      550080 
   itsplit           1
- acceleration/energy drift too large   2.83916046013930     
-   10.4218362139797       split increased to            2  itime      551653 
+ acceleration/energy drift too large   7.24646681953959     
+   14.5828966568628       split increased to            2  itime      550407 
   itsplit           1
+Momenta zeroed out, time           110199.80
 Momenta zeroed out, time           110399.80
- acceleration/energy drift too large   3.12760895280249     
-   10.2287037114209       split increased to            2  itime      552583 
+Momenta zeroed out, time           110599.80
+ acceleration/energy drift too large   5.46192520426337     
+   14.1034381772106       split increased to            2  itime      553247 
   itsplit           1
- acceleration/energy drift too large   11.7106880354739     
-   62.8022533634502       split increased to            2  itime      552883 
+ acceleration/energy drift too large   3.76715511619816     
+   17.0332841474273       split increased to            2  itime      553951 
   itsplit           1
-Momenta zeroed out, time           110599.80
 Momenta zeroed out, time           110799.80
+ acceleration/energy drift too large   5.30399799526749     
+   36.3708593351504       split increased to            2  itime      554386 
+  itsplit           1
+ acceleration/energy drift too large   3.19652777789379     
+   13.7529621364906       split increased to            2  itime      554635 
+  itsplit           1
+ acceleration/energy drift too large   7.48697726353264     
+   42.2949407313312       split increased to            2  itime      554664 
+  itsplit           1
+ acceleration/energy drift too large   3.64699948503550     
+   14.7567751929683       split increased to            2  itime      554760 
+  itsplit           1
+ acceleration/energy drift too large   2.98995452419908     
+   11.1333085246600       split increased to            2  itime      554824 
+  itsplit           1
 Momenta zeroed out, time           110999.80
+ acceleration/energy drift too large   6.40652355527897     
+   17.0016465656501       split increased to            2  itime      555361 
+  itsplit           1
+ acceleration/energy drift too large   3.93003039560954     
+   26.3039356250184       split increased to            2  itime      555692 
+  itsplit           1
+ acceleration/energy drift too large   4.56462242713166     
+   17.9177745142995       split increased to            2  itime      555724 
+  itsplit           1
+ acceleration/energy drift too large   7.53713777381226     
+   27.3897988378013       split increased to            2  itime      555968 
+  itsplit           1
 Momenta zeroed out, time           111199.80
- acceleration/energy drift too large   8.43871800654235     
-   32.1060859367785       split increased to            2  itime      556433 
+ acceleration/energy drift too large   10.9115118637580     
+   41.7302336031710       split increased to            2  itime      556046 
+  itsplit           1
+ acceleration/energy drift too large   5.51670604987004     
+   35.2415270808653       split increased to            2  itime      556538 
   itsplit           1
- acceleration/energy drift too large   4.99124568641172     
-   11.1185404166831       split increased to            2  itime      556943 
+ acceleration/energy drift too large   4.72320865368991     
+   13.7893055594089       split increased to            2  itime      556884 
   itsplit           1
 Momenta zeroed out, time           111399.80
-Momenta zeroed out, time           111599.80
- acceleration/energy drift too large   3.53128701771823     
-   11.3411466985660       split increased to            2  itime      558514 
+ acceleration/energy drift too large   4.49613518258259     
+   10.4519693147297       split increased to            2  itime      557675 
+  itsplit           1
+ acceleration/energy drift too large   4.99885696927545     
+   12.9993921331671       split increased to            2  itime      557690 
   itsplit           1
- acceleration/energy drift too large   1.75811173925112     
-   13.9596398857938       split increased to            2  itime      558546 
+ acceleration/energy drift too large   7.95153852410354     
+   24.2125022044838       split increased to            2  itime      557994 
   itsplit           1
- acceleration/energy drift too large   3.09335789861455     
-   10.8646956626980       split increased to            2  itime      558595 
+Momenta zeroed out, time           111599.80
+ acceleration/energy drift too large   9.64860891434627     
+   25.9510114629807       split increased to            2  itime      558403 
+  itsplit           1
+ acceleration/energy drift too large   10.7966843256005     
+   72.6249978403427       split increased to            2  itime      558481 
   itsplit           1
 Momenta zeroed out, time           111799.80
- acceleration/energy drift too large   3.06114803977174     
-   11.3569881387303       split increased to            2  itime      559966 
+ acceleration/energy drift too large   4.79522481868033     
+   10.0239265539335       split increased to            2  itime      559200 
+  itsplit           1
+ acceleration/energy drift too large   3.00935139376511     
+   11.9105292534796       split increased to            2  itime      559998 
   itsplit           1
 Velocities reset to random values, time           111999.80
 Momenta zeroed out, time           111999.80
- acceleration/energy drift too large   4.18094441485935     
-   11.1276773580080       split increased to            2  itime      560100 
+ acceleration/energy drift too large   12.8027616902494     
+   57.2648012084182       split increased to            2  itime      560390 
   itsplit           1
- acceleration/energy drift too large   3.14374230789941     
-   10.0927029328817       split increased to            2  itime      560668 
+ acceleration/energy drift too large   11.0336483216314     
+   46.4082546307720       split increased to            2  itime      560504 
   itsplit           1
 Momenta zeroed out, time           112199.80
+ acceleration/energy drift too large   4.48453016089259     
+   24.4258235875892       split increased to            2  itime      561515 
+  itsplit           1
+ acceleration/energy drift too large   3.59560678033275     
+   13.7848539249538       split increased to            2  itime      561914 
+  itsplit           1
 Momenta zeroed out, time           112399.80
 Momenta zeroed out, time           112599.80
+ acceleration/energy drift too large   6.07359595939671     
+   40.5865506786946       split increased to            2  itime      563000 
+  itsplit           1
+ acceleration/energy drift too large   2.17079864322671     
+   12.0103351752165       split increased to            2  itime      563044 
+  itsplit           1
 Momenta zeroed out, time           112799.80
-Momenta zeroed out, time           112999.80
-Momenta zeroed out, time           113199.80
- acceleration/energy drift too large   12.5780527983647     
-   76.3446632111512       split increased to            2  itime      566244 
+ acceleration/energy drift too large   5.68078693134992     
+   11.1120054472343       split increased to            2  itime      564467 
   itsplit           1
- acceleration/energy drift too large   5.72127502520823     
-   18.7156399149756       split increased to            2  itime      566369 
+ acceleration/energy drift too large   6.56216482316720     
+   17.5183465095332       split increased to            2  itime      564618 
   itsplit           1
- acceleration/energy drift too large   13.5345389975147     
-   67.6985808695485       split increased to            2  itime      566387 
+ acceleration/energy drift too large   4.39961584285230     
+   16.6533614273535       split increased to            2  itime      564669 
   itsplit           1
- acceleration/energy drift too large   3.06627764887852     
-   18.2406688226003       split increased to            4  itime      566387 
-  itsplit           2
- acceleration/energy drift too large   5.63645495098236     
-   16.5905573440675       split increased to            2  itime      566908 
+Momenta zeroed out, time           112999.80
+ acceleration/energy drift too large   4.68416643818508     
+   22.2984755680650       split increased to            2  itime      565244 
+  itsplit           1
+ acceleration/energy drift too large   3.31365979631123     
+   10.1275271087879       split increased to            2  itime      565376 
   itsplit           1
+Momenta zeroed out, time           113199.80
 Momenta zeroed out, time           113399.80
- acceleration/energy drift too large   5.36282531360803     
-   28.4777184086245       split increased to            2  itime      567260 
+ acceleration/energy drift too large   2.84741724729600     
+   12.4188250703189       split increased to            2  itime      567904 
   itsplit           1
 Momenta zeroed out, time           113599.80
- acceleration/energy drift too large   4.90540005591395     
-   10.9348244326661       split increased to            2  itime      568944 
-  itsplit           1
-Momenta zeroed out, time           113799.80
-Velocities reset to random values, time           113999.80
-Momenta zeroed out, time           113999.80
- acceleration/energy drift too large   4.64395245987716     
-   13.7206970149235       split increased to            2  itime      570774 
+ acceleration/energy drift too large   2.91223203006194     
+   16.2990860143199       split increased to            2  itime      568084 
   itsplit           1
-Momenta zeroed out, time           114199.80
- acceleration/energy drift too large   6.81553952990293     
-   30.4935318419665       split increased to            2  itime      571511 
+ acceleration/energy drift too large   5.27308663507661     
+   37.7907193796712       split increased to            2  itime      568497 
   itsplit           1
- acceleration/energy drift too large   2.30072534636348     
-   11.6315228428893       split increased to            2  itime      571663 
+ acceleration/energy drift too large   5.34295903416489     
+   16.3598970476225       split increased to            2  itime      568999 
   itsplit           1
-Momenta zeroed out, time           114399.80
- acceleration/energy drift too large   4.17648161398444     
-   11.9215927184693       split increased to            2  itime      572413 
+Momenta zeroed out, time           113799.80
+ acceleration/energy drift too large   5.58819855980063     
+   14.1909476879769       split increased to            2  itime      569499 
   itsplit           1
- acceleration/energy drift too large   6.43237457338418     
-   30.2524323302982       split increased to            2  itime      572964 
+Velocities reset to random values, time           113999.80
+Momenta zeroed out, time           113999.80
+ acceleration/energy drift too large   3.93473594949861     
+   10.5275273692628       split increased to            2  itime      570178 
   itsplit           1
-Momenta zeroed out, time           114599.80
- acceleration/energy drift too large   5.24937605269678     
-   19.8780771101235       split increased to            2  itime      573333 
+ acceleration/energy drift too large   2.88344882675233     
+   16.9556852790492       split increased to            2  itime      570275 
   itsplit           1
- acceleration/energy drift too large   9.53546614982797     
-   35.9566296413224       split increased to            2  itime      573512 
+ acceleration/energy drift too large   3.06856738268236     
+   15.4670732752121       split increased to            2  itime      570309 
   itsplit           1
-Momenta zeroed out, time           114799.80
-Momenta zeroed out, time           114999.80
- acceleration/energy drift too large   4.37083358630794     
-   22.8691793875136       split increased to            2  itime      575094 
+ acceleration/energy drift too large   2.86611051359077     
+   23.1185253709444       split increased to            2  itime      570892 
   itsplit           1
-Momenta zeroed out, time           115199.80
- acceleration/energy drift too large   13.5874568353415     
-   82.6412476315605       split increased to            2  itime      576919 
+Momenta zeroed out, time           114199.80
+ acceleration/energy drift too large   2.09832423212649     
+   11.2959111907377       split increased to            2  itime      571287 
   itsplit           1
-Momenta zeroed out, time           115399.80
- acceleration/energy drift too large   3.74465367160681     
-   15.7736403802487       split increased to            2  itime      577516 
+ acceleration/energy drift too large   2.91337072781965     
+   10.4534970875066       split increased to            2  itime      571448 
   itsplit           1
-Momenta zeroed out, time           115599.80
-Momenta zeroed out, time           115799.80
- acceleration/energy drift too large   4.61035655422967     
-   18.5753811275507       split increased to            2  itime      579076 
+ acceleration/energy drift too large   4.55221473907797     
+   21.1653778704968       split increased to            2  itime      571696 
   itsplit           1
- acceleration/energy drift too large   4.57021410438711     
-   32.9662665423991       split increased to            2  itime      579282 
+ acceleration/energy drift too large   1.71997917477470     
+   12.9691874575120       split increased to            4  itime      571696 
   itsplit           1
- acceleration/energy drift too large   8.80308286195561     
-   102.671130827553       split increased to            2  itime      579781 
+ acceleration/energy drift too large   8.36810309728282     
+   36.9375850549672       split increased to            2  itime      571700 
   itsplit           1
- acceleration/energy drift too large   6.06512913379760     
-   18.5194260292618       split increased to            2  itime      579838 
+ acceleration/energy drift too large   3.45884868297114     
+   28.2017729489215       split increased to            2  itime      571701 
   itsplit           1
-Velocities reset to random values, time           115999.80
-Momenta zeroed out, time           115999.80
- acceleration/energy drift too large   10.8718074616380     
-   28.2155580244141       split increased to            2  itime      580983 
+ acceleration/energy drift too large   4.77731162556358     
+   28.1947767742736       split increased to            2  itime      571789 
   itsplit           1
-Momenta zeroed out, time           116199.80
- acceleration/energy drift too large   5.46001835949615     
-   15.8579093231135       split increased to            2  itime      581097 
+Momenta zeroed out, time           114399.80
+ acceleration/energy drift too large   7.08481491501213     
+   23.2335057208704       split increased to            2  itime      572436 
   itsplit           1
- acceleration/energy drift too large   4.60836056990198     
-   10.7510169673989       split increased to            2  itime      581800 
+ acceleration/energy drift too large   6.89073349871672     
+   17.1900259265278       split increased to            2  itime      572963 
   itsplit           1
-Momenta zeroed out, time           116399.80
- acceleration/energy drift too large   4.70823312432612     
-   26.0339745145264       split increased to            2  itime      582625 
+Momenta zeroed out, time           114599.80
+ acceleration/energy drift too large   6.35623085282691     
+   10.6910743324498       split increased to            2  itime      573656 
   itsplit           1
-Momenta zeroed out, time           116599.80
- acceleration/energy drift too large   8.29335513288679     
-   24.9322384190049       split increased to            2  itime      583025 
+Momenta zeroed out, time           114799.80
+ acceleration/energy drift too large   12.4931387970218     
+   58.5784804391493       split increased to            2  itime      574075 
   itsplit           1
- acceleration/energy drift too large   5.36207000026511     
-   22.3506661865182       split increased to            2  itime      583230 
+ acceleration/energy drift too large   2.65487066587476     
+   11.9860399150015       split increased to            4  itime      574075 
+  itsplit           2
+Momenta zeroed out, time           114999.80
+ acceleration/energy drift too large   4.76643768092131     
+   24.3355300272911       split increased to            2  itime      575048 
   itsplit           1
- acceleration/energy drift too large   5.62333540724234     
-   21.6634497522839       split increased to            2  itime      583515 
+ acceleration/energy drift too large   3.23992800723911     
+   13.6517735064823       split increased to            2  itime      575826 
   itsplit           1
- acceleration/energy drift too large   7.22966507012669     
-   29.8695167108585       split increased to            2  itime      583666 
+ acceleration/energy drift too large   3.24497000529157     
+   10.2628687589195       split increased to            2  itime      575941 
   itsplit           1
-Momenta zeroed out, time           116799.80
- acceleration/energy drift too large   5.31257272387807     
-   14.2024771173791       split increased to            2  itime      584070 
+Momenta zeroed out, time           115199.80
+ acceleration/energy drift too large   4.55067443134532     
+   11.7102524680740       split increased to            2  itime      576392 
   itsplit           1
- acceleration/energy drift too large   4.51136528019008     
-   10.5340495316586       split increased to            2  itime      584665 
+ acceleration/energy drift too large   2.06632628648093     
+   10.0798451760241       splMomenta zeroed out, time           115799.80
+ acceleration/energy drift too large   5.35459419733201     
+   11.9057098454837       split increased to            2  itime      579213 
   itsplit           1
-Momenta zeroed out, time           116999.80
- acceleration/energy drift too large   4.99858802770747     
-   26.2370602196771       split increased to            2  itime      585036 
+ acceleration/energy drift too large   5.99085780126840     
+   11.3095817433336       split increased to            2  itime      579321 
   itsplit           1
- acceleration/energy drift too large   4.27628684944406     
-   14.8013488194059       split increased to            2  itime      585052 
+ acceleration/energy drift too large   4.08689430189492     
+   11.5006Momenta zeroed out, time           115599.80
+ acceleration/energy drift too large   2.96277318432315     
+   11.1254326807212       split increased to            2  itime      578122 
   itsplit           1
-Momenta zeroed out, time           117199.80
- acceleration/energy drift too large   6.27021498121414     
-   26.4559494942413       split increased to            2  itime      586712 
+ acceleration/energy drift too large   3.91468846270844     
+   12.0149249981409       split increased to            2  itime      578854 
   itsplit           1
-Momenta zeroed out, time           117399.80
- acceleration/energy drift too large   4.45261537882245     
-   14.0059889527128       split increased to            2  itime      587129 
+ acceleration/energy drift too large   6.87729748322221     
+   28.6975027773545       split increased to            2  itime      578994 
   itsplit           1
- acceleration/energy drift too large   3.13693051877898     
-   12.4715139721188       split increased to            2  itime      587284 
+Momenta zeroed out, time           accelerati acceleration/energy drift too large   10.0717293566441     
+   35.7520408910889       split increased to            2  itime      579229 
   itsplit           1
- acceleration/energy drift too large   3.26007171580349     
-   10.6403475141714       split increased to            2  itime      587311 
+Velocities reset to random values, time           115999.80
+Momenta zeroed out, time           115999.80
+Momenta zeroed out, time           116199.80
+Momenta zeroed out, time           116399.80
+ acceleration/energy drift too large   4.47732916527399     
+   14.0154865818048       split increased to            2  itime      582378 
   itsplit           1
- acceleration/energy drift too large   4.87717396605177     
-   16.1514664788203       split increased to            2  itime      587489 
+Momenta zeroed out, time           116599.80
+ acceleration/energy drift too large   3.87602599699189     
+   21.1542248911007       split increased to            2  itime      583338 
+  itsplit           1
+ acceleration/energy drift too large   5.81638291081661     
+   13.7173919899903       split increased to            2  itime      583542 
+  itsplit           1
+ acceleration/energy drift too large   2.24149479800951     
+   13.2139046455823       split increased to            2  itime      5838 acceleration/energy drift too large   3.88856822684378     
+   10.3365Momenta zeroed out, time           116999.80
+ acceleration/energy drift too large   4.59764672638290     
+   24.0552024662723       splMomenta zeroed out, time           117599.80
+ acceleration/energy drift too large   4.59128455440711     
+   14.9443133539668       split increased to            2  itime      588059 
+  itsplit           1
+ acceleration/energy driftMomenta zeroed out, time           117199.80
+ acceleration/energy drift too large   10.9373343820217     
+   44.2096512620444       splMomenta zeroed out, time           117799.80
+ acceleration/energy drift too large   6.96185706060192     
+   28.8385437585304       split increased to            2  itime      589812 
+  itsplit           1
+Velocities reset to random values, time           117999.80
+Momenta zerMomenta zeroed out, time           acceleratiMomenta zeroed out, time           117799.80
+Velocities reset to random values, time           117999.80
+Momenta zeroed out, time           117999.80
+ acceleration/energy drift too large   6.42570575676358     
+   19.2888354833483       split increased to            2  itime      590615 
   itsplit           1
- acceleration/energy drift too large   3.19395911774296     
-   16.2754010842173       split increased to            2  itime      587769 
+Momenta zeroed out, time           118199.80
+Momenta zeroed out, time           118399.80
+ acceleration/energy drift too large   4.01032036723606     
+   24.6892311196644       split increased to            2  itime      592121 
   itsplit           1
- acceleration/energy drift too large   4.83307287771147     
-   12.6481063248387       split increased to            2  itime      587968 
+Momenta zeroed out, time           118599.80
+ acceleration/energy drift too large   11.0159548894832     
+   52.4737076044700       split increased to            2  itime      593287 
   itsplit           1
-Momenta zeroed out, time           117599.80
- acceleration/energy drift too large   3.30113532890245     
-   25.4071084317895       split increased to            2  itime      588434 
+Momenta zeroed out, time           118799.80
+ acceleration/energy drift too large   11.1951134130598     
+   57.1545202146783       split increased to            2  itime      594356 
   itsplit           1
- acceleration/energy drift too large   6.77525569413608     
-   17.2981646346972       split increased to            2  itime      588704 
+ acceleration/energy drift too large   2.89341144308298     
+   13.7298147999806       split increased to            4  itime      594356 
   itsplit           1
- acceler acceleration/energy drift too large   5.67472720266884     
-   21.8990245086080       split increased to            2  itime      594691 
+Momenta zeroed out, time           118999.80
+ acceleration/energy drift too large   4.23703823300779     
+   12.6311838832491       split increased to            2  itime      595367 
   itsplit           1
-Momenta zeroed out, time           11Velocities reset to random values, time           117999.80
-Momenta zeroed out, time           117999.80
- acceleration/energy drift too large   13.3177873248380     
-   Momenta zeroed out, time           119199.80
+Momenta zeroed out, time           119199.80
 Momenta zeroed out, time           119399.80
- acceleration/energy drift too large   14.4353805789817     
-   79.0594086921998       split increased to            2  itime      597292 
+ acceleration/energy drift too large   5.74728091221683     
+   16.7024775016983       split increased to            2  itime      597432 
   itsplit           1
 Momenta zeroed out, time           119599.80
-Momenta zeroed out, time           119799.80
- acceleration/energy drift too large   4.98819199510143     
-   15.3923528298495       split increased to            2  itime      599547 
+ acceleration/energy drift too large   2.63520095197958     
+   18.2153760317603       split increased to            2  itime      598243 
   itsplit           1
- acceleration/energy drift too large   4.04824049434454     
-   15.4470924590986       split increased to            2  itime      599574 
-  itsplit           1
- acceleration/energy drift too large   3.40321159218607     
-   10.3660413139841       split increased to            2  itime      599807 
+Momenta zeroed out, time           119799.80
+ acceleration/energy drift too large   5.08799700453544     
+   18.4528808471342       split increased to            2  itime      599595 
   itsplit           1
 Velocities reset to random values, time           119999.80
 Momenta zeroed out, time           119999.80
- acceleration/energy drift too large   4.07466563493295     
-   19.6717406921130       split increased to            2  itime      600210 
+ acceleration/energy drift too large   1.72134399896505     
+   11.5200920983482       split increased to            2  itime      600728 
   itsplit           1
 Momenta zeroed out, time           120199.80
- acceleration/energy drift too large   2.62728904162911     
-   11.0583570549782       split increased to            2  itime      601583 
+ acceleration/energy drift too large   9.04729823259572     
+   30.2053024447704       split increased to            2  itime      601771 
   itsplit           1
+ acceleration/energy drift too large   6.83647010795145     
+   15.8449075730557       split increased to            2  itime      601772 
+  itsplit           1
+ acceleration/energy drift too large   12.5895837472423     
+   88.4811744779749       split increased to            2  itime      601955 
+  itsplit           1
+ acceleration/energy drift too large   2.76790493977504     
+   16.8653570692387       split increased to            4  itime      601955 
+  itsplit           2
 Momenta zeroed out, time           120399.80
- acceleration/energy drift too large   3.13690347234775     
-   26.5495536383238       split increased to            2  itime      602628 
+ acceleration/energy drift too large   5.16982449227747     
+   28.0860919490924       split increased to            2  itime      602237 
+  itsplit           1
+ acceleration/energy drift too large   4.34984827214983     
+   12.7794764973111       split increased to            2  itime      602595 
   itsplit           1
 Momenta zeroed out, time           120599.80
 Momenta zeroed out, time           120799.80
- acceleration/energy drift too large   8.99231511725236     
-   37.1737492665740       split increased to            2  itime      604354 
-  itsplit           1
 Momenta zeroed out, time           120999.80
 Momenta zeroed out, time           121199.80
- acceleration/energy drift too large   8.71656227027347     
-   31.4263236897066       split increased to            2  itime      606227 
-  itsplit           1
- acceleration/energy drift too large   2.59159258664084     
-   11.3235626638441       split increased to            2  itime      606497 
-  itsplit           1
 Momenta zeroed out, time           121399.80
- acceleration/energy drift too large   5.94054274514926     
-   18.4409661939701       split increased to            2  itime      607133 
+ acceleration/energy drift too large   5.06713904448716     
+   12.2018331890505       split increased to            2  itime      607636 
   itsplit           1
-Momenta zeroed out, time           121599.80
- acceleration/energy drift too large   4.63060515192848     
-   11.6696402778516       split increased to            2  itime      608557 
+ acceleration/energy drift too large   3.59908110040906     
+   27.9846761788477       split increased to            2  itime      607971 
   itsplit           1
+Momenta zeroed out, time           121599.80
 Momenta zeroed out, time           121799.80
- acceleration/energy drift too large   3.58515164190775     
-   15.5261044013275       split increased to            2  itime      609718 
+ acceleration/energy drift too large   3.20007983006180     
+   18.7894507792101       split increased to            2  itime      609646 
+  itsplit           1
+ acceleration/energy drift too large   8.03765021210324     
+   28.8358118642591       split increased to            2  itime      609823 
   itsplit           1
 Velocities reset to random values, time           121999.80
 Momenta zeroed out, time           121999.80
-Momenta zeroed out, time           122199.80
- acceleration/energy drift too large   10.2773209715882     
-   39.5066424606703       split increased to            2  itime      611561 
+ acceleration/energy drift too large   13.0988828009998     
+   80.2203492105627       split increased to            2  itime      610171 
   itsplit           1
- acceleration/energy drift too large   4.28104832382300     
-   14.0487672054681       split increased to            2  itime      611707 
+ acceleration/energy drift too large   4.55153615120326     
+   15.9314731376687       split increased to            2  itime      610214 
   itsplit           1
-Momenta zeroed out, time           122399.80
- acceleration/energy drift too large   3.05427080992112     
-   11.2668919938766       split increased to            2  itime      612125 
+ acceleration/energy drift too large   3.74622463582276     
+   13.4057392517837       split increased to            2  itime      610935 
   itsplit           1
- acceleration/energy drift too large   2.99727351606546     
-   11.2438671934756       split increased to            2  itime      612288 
+Momenta zeroed out, time           122199.80
+ acceleration/energy drift too large   5.77953255897021     
+   32.1934531536384       split increased to            2  itime      611083 
   itsplit           1
- acceleration/energy drift too large   3.68057779728046     
-   12.2628110860300       split increased to            2  itime      612691 
+ acceleration/energy drift too large   4.20128624839534     
+   18.9241374937195       split increased to            2  itime      611591 
   itsplit           1
-Momenta zeroed out, time           122599.80
-Momenta zeroed out, time           122799.80
- acceleration/energy drift too large   10.0590178279303     
-   53.7739399084247       split increased to            2  itime      614202 
+ acceleration/energy drift too large   3.96055784224333     
+   15.3320281957779       split increased to            2  itime      611751 
   itsplit           1
- acceleration/energy drift too large   4.05688065577738     
-   25.7109894229820       split increased to            2  itime      614844 
+Momenta zeroed out, time           122399.80
+ acceleration/energy drift too large   5.54215664609873     
+   13.7209510163380       spl acceleration/energy drift too large   7.71462500410229     
+   32.5841576303981       split increased to            2  itime      614792 
   itsplit           1
 Momenta zeroed out, time           122999.80
-Momenta zeroed out, time           123199.80
-Momenta zeroed out, time           123399.80
- acceleration/energy drift too large   4.50548268464824     
-   10.8656255427693       split increased to            2  itime      617286 
+ acceleration/energy drift too large   3.43277374381955     
+   17.7303 acceleration/energy drift too large   2.50613283075926     
+   16.6431368579697       split increased to            2  itime      613715 
   itsplit           1
- acceleration/energy drift too large   4.82966787899200     
-   18.2944347687060       split increased to            2  itime      617487 
+ acceleration/energy drift too large   4.02658007654523     
+   17.4274379349833       split increased to            2  itime      613964 
   itsplit           1
-Momenta zeroed out, time           123599.80
- acceleration/energy drift too large   6.21204181821934     
-   11.1732246575602       split increased to            2  itime      618945 
+Momenta zeroed out, time           122799.80
+ acceleration/energy drift too large   4.24646214423428     
+   10.8931929212345       spl acceleration/energy drift too large   3.97607829161861     
+   11.2478Momenta zeroed out, time           122999.80
+ acceleration/energy drift too large   9.92890476108270     
+   44.9330083977316       spl acceleration/energy drift too large   3.70179592099893     
+   15.2415785849690       split increased to            2  itime      617567 
   itsplit           1
+Momenta zeroed out, time           123599.80
 Momenta zeroed out, time           123799.80
- acceleration/energy drift too large   4.08463131350994     
-   22.8784801763268       split increased to            2  itime      619559 
+ acceleration/energy drift too large   6.59159043494138     
+   11.5116356251398       split increased to            2  itime      619047 
+  itsplit           1
+ acceleration/energy drift too large   4.30698638752189     
+   11.8823889060918       split increased to            2  itime      619516 
   itsplit           1
 Velocities reset to random values, time           123999.80
 Momenta zeroed out, time           123999.80
- acceleration/energy drift too large   4.48997714580907     
-   15.2471910558286       split increased to            2  itime      620358 
-  itsplit           1
- acceleration/energy drift too large   3.05390341699263     
-   14.4570429108249       split increased to            2  itime      620368 
-  itsplit           1
 Momenta zeroed out, time           124199.80
+ acceleration/energy drift too large   4.85088242763960     
+   10.4284779280777       split increased to            2  itime      621339 
+  itsplit           1
 Momenta zeroed out, time           124399.80
- acceleration/energy drift too large   5.87915605076863     
-   20.3762196348610       split increased to            2  itime      622430 
+ acceleration/energy drift too large   5.63565834234461     
+   12.4993379985798       split increased to            2  itime      622188 
   itsplit           1
- acceleration/energy drift too large   5.74717973858312     
-   13.3648358213107       split increased to            2  itime      622535 
+ acceleration/energy drift too large   9.68426644702611     
+   39.1485800488772       split increased to            2  itime      622566 
   itsplit           1
- acceleration/energy drift too large   6.79210836623488     
-   10.9094669561535       split increased to            2  itime      622950 
+ acceleration/energy drift too large  0.147546804798307     
+   12.0175042707600       split increased to            2  itime      622567 
   itsplit           1
 Momenta zeroed out, time           124599.80
- acceleration/energy drift too large   3.12870028572751     
-   13.5878346938798       split increased to            2  itime      623032 
+ acceleration/energy drift too large   4.33280015142336     
+   10.3968513530434       split increased to            2  itime      623147 
   itsplit           1
- acceleration/energy drift too large   10.2879630503894     
-   42.2708011336319       split increased to            2  itime      623366 
-  itsplit           1
- acceleration/energy drift too large   6.21813871369594     
-   22.0130893991434       split increased to            2  itime      623763 
+ acceleration/energy drift too large   5.95889571325987     
+   22.3706876631977       split increased to            2  itime      623745 
   itsplit           1
 Momenta zeroed out, time           124799.80
+ acceleration/energy drift too large   2.28568185879860     
+   15.5355080668832       split increased to            2  itime      624090 
+  itsplit           1
 Momenta zeroed out, time           124999.80
- acceleration/energy drift too large   8.00774712872841     
-   31.9466036269143       split increased to            2  itime      625579 
+ acceleration/energy drift too large   5.35464021943313     
+   29.9831881785706       split increased to            2  itime      625353 
   itsplit           1
- acceleration/energy drift too large   7.71555660897539     
-   24.8425509119870       split increased to            2  itime      625810 
+ acceleration/energy drift too large   4.11432753195214     
+   12.3253828431102       split increased to            2  itime      625357 
   itsplit           1
 Momenta zeroed out, time           125199.80
- acceleration/energy drift too large   5.39958835820123     
-   18.9010698544202       split increased to            2  itime      626385 
-  itsplit           1
- acceleration/energy drift too large   6.60472956569060     
-   27.5859271735855       split increased to            2  itime      626900 
-  itsplit           1
 Momenta zeroed out, time           125399.80
- acceleration/energy drift too large   5.94620564613532     
-   17.9374718500661       split increased to            2  itime      627213 
-  itsplit           1
- acceleration/energy drift too large   5.00801846693768     
-   10.1775374288293       split increased to            2  itime      627260 
-  itsplit           1
- acceleration/energy drift too large   7.44443581434472     
-   19.4854860062428       split increased to            2  itime      627268 
-  itsplit           1
- acceleration/energy drift too large   6.26990794369048     
-   31.5712998906101       split increased to            2  itime      627792 
-  itsplit           1
 Momenta zeroed out, time           125599.80
 Momenta zeroed out, time           125799.80
- acceleration/energy drift too large   14.1385359555068     
-   75.1770959757129       split increased to            2  itime      629246 
+ acceleration/energy drift too large   6.88813315906899     
+   37.9001582255509       split increased to            2  itime      629157 
   itsplit           1
 Velocities reset to random values, time           125999.80
 Momenta zeroed out, time           125999.80
- acceleration/energy drift too large   4.20075738229542     
-   14.4479954590378       split increased to            2  itime      630080 
+ acceleration/energy drift too large   5.28252952253552     
+   22.2270265456349       split increased to            2  itime      630146 
   itsplit           1
- acceleration/energy drift too large   2.67232613528413     
-   17.1925815326761       split increased to            2  itime      630822 
-  itsplit           1
-Momenta zeroed out, time           126199.80
- acceleration/energy drift too large   8.69893881415995     
-   25.9687192634067       split increased to            2  itime      631193 
+ acceleration/energy drift too large   4.27336742086824     
+   11.0550864738648       split increased to            2  itime      630275 
   itsplit           1
- acceleration/energy drift too large   4.86650844072874     
-   11.9173613187309       split increased to            2  itime      631782 
+ acceleration/energy drift too large   3.71455838063642     
+   11.8577714420462       split increased to            2  itime      630639 
   itsplit           1
+Momenta zeroed out, time           126199.80
 Momenta zeroed out, time           126399.80
- acceleration/energy drift too large   4.26610853278699     
-   17.5907518457381       split increased to            2  itime      632131 
+ acceleration/energy drift too large   2.57441155810015     
+   12.8115313003135       split increased to            2  itime      632190 
+  itsplit           1
+ acceleration/energy drift too large   3.30245987484934     
+   11.1042036465680       split increased to            2  itime      632771 
   itsplit           1
- acceleration/energy drift too large   7.34213851327862     
-   19.4232598803909       split increased to            2  itime      632382 
+ acceleration/energy drift too large   4.68872608752427     
+   10.8044142536922       split increased to            2  itime      632995 
   itsplit           1
 Momenta zeroed out, time           126599.80
- acceleration/energy drift too large   2.38747226568195     
-   12.2856108204514       split increased to            2  itime      633053 
+ acceleration/energy drift too large   5.36776613343011     
+   25.7553455230834       split increased to            2  itime      633232 
   itsplit           1
-Momenta zeroed out, time           126799.80
- acceleration/energy drift too large   11.7877386815432     
-   59.4648329933290       split increased to            2  itime      634446 
+ acceleration/energy drift too large   3.77539138736547     
+   10.8213571518820       split increased to            2  itime      633535 
   itsplit           1
- acceleration/energy drift too large   4.88192930007326     
-   14.8896861237559       split increased to            2  itime      634651 
+Momenta zeroed out, time           126799.80
+ acceleration/energy drift too large   3.09612158850740     
+   20.8018317627115       split increased to            2  itime      634107 
   itsplit           1
- acceleration/energy drift too large   8.81905733558169     
-   33.8692357634882       split increased to            2  itime      634823 
+ acceleration/energy drift too large   7.17609871771900     
+   24.4763845119929       split increased to            2  itime      634562 
   itsplit           1
- acceleration/energy drift too large   4.19148216587204     
-   17.6540754714110       split increased to            2  itime      634866 
+ acceleration/energy drift too large   2.70494887441835     
+   11.3425704888038       split increased to            2  itime      634691 
   itsplit           1
 Momenta zeroed out, time           126999.80
-Momenta zeroed out, time           127199.80
- acceleration/energy drift too large   6.17726544855752     
-   12.4532111122870       split increased to            2  itime      636033 
+ acceleration/energy drift too large   5.48651503077896     
+   20.4294156051715       split increased to            2  itime      635196 
   itsplit           1
- acceleration/energy drift too large   5.34716099006438     
-   11.1009019899836       split increased to            2  itime      636326 
+Momenta zeroed out, time           127199.80
+ acceleration/energy drift too large   2.77574169723970     
+   10.0259578388268       split increased to            2  itime      636266 
   itsplit           1
- acceleration/energy drift too large   11.9985052269671     
-   66.4563731101523       split increased to            2  itime      636398 
+ acceleration/energy drift too large   2.48958811698394     
+   15.2829284503747       split increased to            2  itime      636947 
   itsplit           1
- acceleration/energy drift too large   2.51153187238507     
-   11.7344210776025       split increased to            4  itime      636398 
-  itsplit           2
 Momenta zeroed out, time           127399.80
- acceleration/energy drift too large   3.83247459646925     
-   24.9015250667626       split increased to            2  itime      637185 
-  itsplit           1
- acceleration/energy drift too large   5.42979771466673     
-   34.7730140573289       split increased to            2  itime      637200 
-  itsplit           1
- acceleration/energy drift too large   4.21533471108386     
-   15.7179931469301       split increased to            2  itime      637230 
-  itsplit           1
- acceleration/energy drift too large   3.12263247720980     
-   10.4835352108348       split increased to            2  itime      637428 
-  itsplit           1
- acceleration/energy drift too large   7.43857037940343     
-   51.7830749571310       split increased to            2  itime      637453 
-  itsplit           1
- acceleration/energy drift too large   3.13620690014886     
-   12.4119564858485       split increased to            2  itime      637530 
+ acceleration/energy drift too large   5.29749760650903     
+   11.6387013747827       split increased to            2  itime      637914 
   itsplit           1
 Momenta zeroed out, time           127599.80
- acceleration/energy drift too large   7.05118474127242     
-   14.2860381123744       split increased to            2  itime      638039 
-  itsplit           1
- acceleration/energy drift too large   4.09840511538527     
-   10.5102227372228       split increased to            2  itime      638771 
-  itsplit           1
- acceleration/energy drift too large   2.33797459511709     
-   15.6020172478507       split increased to            2  itime      638986 
+ acceleration/energy drift too large   4.94871250148599     
+   15.5695084448820       split increased to            2  itime      638773 
   itsplit           1
 Momenta zeroed out, time           127799.80
- acceleration/energy drift too large   8.71879973481451     
-   35.4315060556940       split increased to            2  itime      639488 
+ acceleration/energy drift too large   7.54518920717010     
+   24.0904984009458       split increased to            2  itime      639225 
   itsplit           1
- acceleration/energy drift too large   4.46335245345909     
-   18.9694126966516       split increased to            2  itime      639759 
+ acceleration/energy drift too large   7.06870701303578     
+   29.6701767608881       split increased to            2  itime      639752 
+  itsplit           1
+ acceleration/energy drift too large   5.94246961230099     
+   20.1510870576329       split increased to            2  itime      639849 
   itsplit           1
 Velocities reset to random values, time           127999.80
 Momenta zeroed out, time           127999.80
 Momenta zeroed out, time           128199.80
- acceleration/energy drift too large   5.21762480712838     
-   35.6470420265023       split increased to            2  itime      641177 
-  itsplit           1
- acceleration/energy drift too large   9.62072441478916     
-   41.6802755990615       split increased to            2  itime      641506 
-  itsplit           1
- acceleration/energy drift too large   4.09658268159150     
-   17.4078349422885       split increased to            2  itime      641507 
-  itsplit           1
- acceleration/energy drift too large   5.13752096324803     
-   17.5670373389709       split increased to            2  itime      641758 
+ acceleration/energy drift too large   4.88678559474275     
+   27.1519722566316       split increased to            2  itime      641070 
   itsplit           1
 Momenta zeroed out, time           128399.80
- acceleration/energy drift too large   5.45285432755530     
-   25.2063846238723       split increased to            2  itime      642108 
-  itsplit     Momenta  acceleration/energy drift too large  acceleration/energy drift too large   3.99216984561715     
-   13.5669092243300       split increased to            2  itim acceleration/energy drift too large Momenta zeroed out, time           127599.80
- acceleration/energy drift too large   5.36470402464471     
-   19.0470253821489       split increased to            2  itim acceleration/energy drift too large  acceleration/energy drift too large   2.48005384359964     
-   14.4294150204518       split increased to            2  itime      638620 
+ acceleration/energy drift too large   9.52537045865127     
+   45.3855249281678       split increased to            2  itime      642213 
   itsplit           1
- acceleration/energy drift too large   4.29707826699829     
-   11.4672071987288       split increased to            2  itime      638935 
+ acceleration/energy drift too large   3.92251044082399     
+   12.5962460741847       split increased to            2  itime      642277 
   itsplit           1
-Momenta  acceleration/energy drift too large   6.75670164996502     
-   16.9995278923074       split increased to            2  itime      644662 
+ acceleration/energy drift too large   3.59491668605949     
+   16.5535503968571       split increased to            2  itime      642533 
   itsplit           1
+ acceleration/energy drift too large   4.26749686207071     
+   12.4271319156680       split increased to            2  itime      642876 
+  itsplit           1
+Momenta zeroed out, time           128599.80
+Momenta zeroed out, time           128799.80
 Momenta zeroed out, time           128999.80
- acceleration/energy drift too large   3.05651741384983     
-   16.3938527294005       split increased to            2  itime      645466 
+ acceleration/energy drift too large   6.41067489813646     
+   30.0088369843665       split increased to            2  itime      645729 
   itsplit           1
- acceleration/energy drift too large   4.08866590132392     
-   11.6851760968704       split increased to            2  itime      645646 
+ acceleration/energy drift too large   2.19644655258802     
+   10.9052994793127       split increased to            2  itime      645975 
   itsplit           1
 Momenta zeroed out, time           129199.80
- acceleration/energy drift too large   4.28335050514601     
-   11.3836705437833       split increased to            2  itime      646415 
+ acceleration/energy drift too large   4.28558805022495     
+   10.7516600128999       split increased to            2  itime      646037 
+  itsplit           1
+ acceleration/energy drift too large   4.85671478575557     
+   10.8272746707302       split increased to            2  itime      646158 
   itsplit           1
- acceleration/energy drift too large   5.52182956893439     
-   14.0087659328919       split increased to            2  itime      646599 
+ acceleration/energy drift too large   3.94357941704608     
+   10.9740064126874       split increased to            2  itime      646413 
   itsplit           1
- acceleration/energy drift too large   5.24099553639702     
-   12.0619017126758       split increased to            2  itime      646742 
+ acceleration/energy drift too large   3.76798617020522     
+   16.7468051670859       split increased to            2  itime      646532 
+  itsplit           1
+ acceleration/energy drift too large   6.03341211791880     
+   12.9375602468005       split increased to            2  itime      646537 
+  itsplit           1
+ acceleration/energy drift too large   8.69579820419670     
+   38.7580932497751       split increased to            2  itime      646955 
   itsplit           1
 Momenta zeroed out, time           129399.80
- acceleration/energy drift too large   6.77462001139210     
-   10.7555169839641       split increased to            2  itime      647380 
+ acceleration/energy drift too large   4.46406244890214     
+   14.8370614992615       split increased to            2  itime      647847 
+  itsplit           1
+ acceleration/energy drift too large   3.01122758503684     
+   10.6157789321324       split increased to            2  itime      647860 
   itsplit           1
 Momenta zeroed out, time           129599.80
-Momenta zeroed out, time           129799.80
- acceleration/energy drift too large   4.18284683816495     
-   19.9583965838861       split increased to            2  itime      649740 
+ acceleration/energy drift too large   8.49882951624770     
+   26.8646660791168       split increased to            2  itime      648704 
   itsplit           1
+ acceleration/energy drift too large   4.33336319389785     
+   18.8130938425623       split increased to            2  itime      648900 
+  itsplit           1
+Momenta zeroed out, time           129799.80
 Velocities reset to random values, time           129999.80
 Momenta zeroed out, time           129999.80
- acceleration/energy drift too large   3.44007479038390     
-   13.1524399783820       split increased to            2  itime      650259 
+ acceleration/energy drift too large   4.82137597221404     
+   11.4932302647656       split increased to            2  itime      650281 
+  itsplit           1
+ acceleration/energy drift too large   6.15362504391492     
+   12.0120542963709       split increased to            2  itime      650566 
   itsplit           1
 Momenta zeroed out, time           130199.80
- acceleration/energy drift too large   15.0041606732454     
-   76.5812309751439       split increased to            2  itime      651380 
+ acceleration/energy drift too large   4.96874304046983     
+   18.2122070210157       split increased to            2  itime      651571 
+  itsplit           1
+ acceleration/energy drift too large   12.4162940266371     
+   54.0423225210978       split increased to            2  itime      651574 
   itsplit           1
- acceleration/energy drift too large   2.45875997373604     
-   10.9025789612933       split increased to            2  itime      651639 
+ acceleration/energy drift too large   4.22883532418682     
+   30.2648477158058       split increased to            4  itime      651574 
+  itsplit           1
+ acceleration/energy drift too large   6.49824933242934     
+   14.3381981183216       split increased to            2  itime      651715 
   itsplit           1
 Momenta zeroed out, time           130399.80
- acceleration/energy drift too large   3.21672856399789     
-   10.2227792827850       split increased to            2  itime      652304 
+ acceleration/energy drift too large   6.15414576342012     
+   13.1592863804647       split increased to            2  itime      652153 
+  itsplit           1
+ acceleration/energy drift too large   5.87909218891679     
+   19.2282521231589       split increased to            2  itime      652184 
   itsplit           1
 Momenta zeroed out, time           130599.80
- acceleration/energy drift too large   5.11552046498283     
-   25.2876511629531       split increased to            2  itime      653620 
+ acceleration/energy drift too large   3.10153889415519     
+   10.5452999506393       split increased to            2  itime      653212 
   itsplit           1
- acceleration/energy drift too large   4.36709274830962     
-   23.4400809812435       split increased to            2  itime      653755 
+ acceleration/energy drift too large   8.98719335376533     
+   33.7119586452896       split increased to            2  itime      653279 
   itsplit           1
- acceleration/energy drift too large   5.04013494548007     
-   18.1199491063119       split increased to            2  itime      653812 
+ acceleration/energy drift too large   4.58939824048545     
+   13.0482937210619       split increased to            2  itime      653550 
+  itsplit           1
+ acceleration/energy drift too large   6.01730524791601     
+   12.1088356541563       split increased to            2  itime      653588 
   itsplit           1
 Momenta zeroed out, time           130799.80
- acceleration/energy drift too large   13.8586832552680     
-   83.2612540770291       split increased to            2  itime      654105 
+ acceleration/energy drift too large   3.32974883317848     
+   10.2520026780693       split increased to            2  itime      654951 
   itsplit           1
- acceleration/energy drift too large   6.70768269346810     
-   21.7610852801874       split increased to            2  itime      654232 
+Momenta zeroed out, time           130999.80
+ acceleration/energy drift too large   6.03351908555583     
+   32.0223549087379       split increased to            2  itime      655512 
   itsplit           1
- acceleration/energy drift too large   5.84691060469882     
-   20.3875200596159       split increased to            2  itime      654862 
+ acceleration/energy drift too large   3.27654487897776     
+   15.7513735830729       split increased to            2  itime      655513 
+  itsplit           1
+ acceleration/energy drift too large   3.42427692963021     
+   24.0789868200934       split increased to            2  itime      655857 
   itsplit           1
-Momenta zeroed out, time           130999.80
 Momenta zeroed out, time           131199.80
- acceleration/energy drift too large   7.31987834714954     
-   14.9237560952541       split increased to            2  itime      656495 
+ acceleration/energy drift too large   5.45382860108833     
+   13.2753Momenta zeroed out, time           130999.80
+Momenta zeroed out, time           131199.80
+ acceleration/energy drift too large   2.70876725130466     
+   22.0505901164347       split increased to            2  itime      656524 
   itsplit           1
 Momenta zeroed out, time           131399.80
- acceleration/energy drift too large   7.33145676029470     
-   19.9653791964011       split increased to            2  itime      657818 
+ acceleration/energy drift too large   2.67420706917596     
+   17.5802569296646       split increased to            2  itime      657885 
   itsplit           1
-Momenta zeroed out, time           131599.80
-Momenta zeroed out, time           131799.80
- acceleration/energy drift too large   4.77049919163104     
-   18.0700894801012       split increased to            2  itime      659097 
+ acceleration/energy drift too large   5.38508739711242     
+   12.1873302189931       split increased to            2  itime      657953 
   itsplit           1
- acceleration/energy drift too large   3.44443284801356     
-   15.1277512312537       split increased to            2  itime      659172 
+Momenta zeroed out, time           131599.80
+ acceleration/energy drift too large   4.82256017007690     
+   15.2261173540190       split increased to            2  itime      658334 
   itsplit           1
- acceleration/energy drift too large   3.71082070731577     
-   10.4358919459272       split increased to            2  itime      659338 
+Momenta zeroed out, time           131799.80
+ acceleration/energy drift too large   4.13864294369464     
+   30.3964193933515       split increased to            2  itime      659709 
   itsplit           1
 Velocities reset to random values, time           131999.80
 Momenta zeroed out, time           131999.80
- acceleration/energy drift too large   7.21132860578029     
-   24.3458728145675       split increased to            2  itime      660610 
-  itsplit           1
- acceleration/energy drift too large   4.65003525463198     
-   11.2583055561917       split increased to            2  itime      660687 
+ acceleration/energy drift too large   4.79293594913170     
+   14.0260978589810       split increased to            2  itime      660679 
   itsplit           1
 Momenta zeroed out, time           132199.80
- acceleration/energy drift too large   4.35973447113775     
-   11.8997811942464       split increased to            2  itime      661063 
+ acceleration/energy drift too large   4.62675856590294     
+   13.3781220753458       split increased to            2  itime      661739 
   itsplit           1
 Momenta zeroed out, time           132399.80
+ acceleration/energy drift too large   4.35953227872900     
+   12.5086249425969       split increased to            2  itime      662975 
+  itsplit           1
 Momenta zeroed out, time           132599.80
 Momenta zeroed out, time           132799.80
- acceleration/energy drift too large   14.7144224247220     
-   77.6341208988822       split increased to            2  itime      664074 
+ acceleration/energy drift too large   5.21297501714841     
+   12.8741340604746       split increased to            2  itime      664263 
+  itsplit           1
+ acceleration/energy drift too large   6.24096528477282     
+   42.6701465905832       split increased to            2  itime      664500 
+  itsplit           1
+ acceleration/energy drift too large   6.79750467211058     
+   23.7205971347376       split increased to            2  itime      664943 
   itsplit           1
 Momenta zeroed out, time           132999.80
- acceleration/energy drift too large   9.72497354964436     
-   44.5884287052897       split increased to            2  itime      665166 
+ acceleration/energy drift too large   6.27561059724288     
+   41.2905855547492       split increased to            2  itime      665767 
   itsplit           1
+ acceleration/energy drift too large   1.55387059004040     
+   10.3232625145384       split increased to            4  itime      665767 
+  itsplit           2
 Momenta zeroed out, time           133199.80
 Momenta zeroed out, time           133399.80
+ acceleration/energy drift too large   3.22805963761018     
+   12.3767587184794       split increased to            2  itime      667154 
+  itsplit           1
+ acceleration/energy drift too large   4.79446597595646     
+   16.8280715453997       split increased to            2  itime      667895 
+  itsplit           1
 Momenta zeroed out, time           133599.80
- acceleration/energy drift too large   14.8126234422149     
-   77.8247428940745       split increased to            2  itime      668139 
+ acceleration/energy drift too large   3.17921572956919     
+   12.4329142279446       split increased to            2  itime      668589 
   itsplit           1
- acceleration/energy drift too large   4.24052144597270     
-   27.0751604346024       split increased to            4  itime      668139 
-  itsplit           2
 Momenta zeroed out, time           133799.80
- acceleration/energy drift too large   5.94303749354249     
-   14.4200017920819       split increased to            2  itime      669893 
+ acceleration/energy drift too large   5.88880433976351     
+   14.1872288867171       split increased to            2  itime      669706 
+  itsplit           1
+ acceleration/energy drift too large   4.21572673964384     
+   10.0146094652808       split increased to            2  itime      669757 
+  itsplit           1
+ acceleration/energy drift too large   2.44973860847367     
+   19.0339586207661       split increased to            2  itime      669935 
   itsplit           1
 Velocities reset to random values, time           133999.80
 Momenta zeroed out, time           133999.80
 Momenta zeroed out, time           134199.80
 Momenta zeroed out, time           134399.80
 Momenta zeroed out, time           134599.80
- acceleration/energy drift too large   2.62079309161988     
-   24.2554758118072       split increased to            2  itime      673174 
+ acceleration/energy drift too large   9.23679594181399     
+   40.5909142772971       split increased to            2  itime      673220 
+  itsplit           1
+ acceleration/energy drift too large   8.57348614291155     
+   33.7929110290548       split increased to            2  itime      673787 
   itsplit           1
- acceleration/energy drift too large   6.21752019454092     
-   20.6924435891058       split increased to            2  itime      673179 
+ acceleration/energy drift too large  0.000000000000000E+000
+   13.0307375408798       split increased to            2  itime      673788 
   itsplit           1
 Momenta zeroed out, time           134799.80
- acceleration/energy drift too large   4.00063960217825     
-   12.4796451634849       split increased to            2  itime      674222 
+ acceleration/energy drift too large   6.60636216675520     
+   22.0142761600888       split increased to            2  itime      674057 
   itsplit           1
- acceleration/energy drift too large   3.44155104419848     
-   11.7901662167087       split increased to            2  itime      674415 
+ acceleration/energy drift too large   3.92408885768091     
+   10.5038610650188       split increased to            2  itime      674141 
+  itsplit           1
+ acceleration/energy drift too large   2.78652087350350     
+   12.3442236355814       split increased to            2  itime      674249 
   itsplit           1
 Momenta zeroed out, time           134999.80
- acceleration/energy drift too large   14.1745648276266     
-   90.4444659094687       split increased to            2  itime      675190 
+ acceleration/energy drift too large   1.97325125124842     
+   10.2091951188935       split increased to            2  itime      675441 
   itsplit           1
- acceleration/energy drift too large   3.21894044499763     
-   18.0976122184847       split increased to            4  itime      675190 
-  itsplit           2
- acceleration/energy drift too large   6.61690426390137     
-   22.7291843047581       split increased to            2  itime      675500 
+ acceleration/energy drift too large   4.18061785659243     
+   11.7302178145078       split increased to            2  itime      675465 
   itsplit           1
 Momenta zeroed out, time           135199.80
- acceleration/energy drift too large   9.84539596570725     
-   45.1862436119075       split increased to            2  itime      676215 
+ acceleration/energy drift too large   5.93804214370267     
+   23.7381170527712       split increased to            2  itime      676111 
   itsplit           1
 Momenta zeroed out, time           135399.80
- acceleration/energy drift too large   4.43541251961936     
-   11.6036649621118       split increased to            2  itime      677708 
+ acceleration/energy drift too large   2.40491660711555     
+   14.9047835642140       split increased to            2  itime      677883 
   itsplit           1
 Momenta zeroed out, time           135599.80
 Momenta zeroed out, time           135799.80
+ acceleration/energy drift too large   4.35131800663943     
+   15.1737889964445       split increased to            2  itime      679755 
+  itsplit           1
 Velocities reset to random values, time           135999.80
 Momenta zeroed out, time           135999.80
- acceleration/energy drift too large   3.00090287624731     
-   20.4714634766079       split increased to            2  itime      680096 
-  itsplit           1
 Momenta zeroed out, time           136199.80
- acceleration/energy drift too large   3.64350826369849     
-   10.9202040026111       split increased to            2  itime      681032 
-  itsplit           1
 Momenta zeroed out, time           136399.80
- acceleration/energy drift too large   2.42712300068518     
-   13.0909022676948       split increased to            2  itime      682695 
-  itsplit           1
 Momenta zeroed out, time           136599.80
- acceleration/energy drift too large   1.53589762956784     
-   11.1596826893998       split increased to            2  itime      683272 
-  itsplit           1
- acceleration/energy drift too large   2.97683246354339     
-   13.5387847881781       split increased to            2  itime      683838 
+ acceleration/energy drift too large   1.95658644662045     
+   10.8700026516305       split increased to            2  itime      683185 
   itsplit           1
 Momenta zeroed out, time           136799.80
- acceleration/energy drift too large   6.86151017515960     
-   20.6794931449927       split increased to            2  itime      684786 
-  itsplit           1
- acceleration/energy drift too large   11.3142748676320     
-   67.9003028302635       split increased to            2  itime      684800 
-  itsplit           1
 Momenta zeroed out, time           136999.80
-Momenta zeroed out, time           137199.80
- acceleration/energy drift too large   3.74215820856625     
-   10.8131345520673       split increased to            2  itime      686856 
-  itsplit           1
- acceleration/energy drift too large   5.18137272634178     
-   17.6406345561890       split increased to            2  itime      686933 
-  itsplit           1
-Momenta zeroed out, time           137399.80
- acceleration/energy drift too large   9.22392752957160     
-   38.5137705286360       split increased to            2  itime      687012 
-  itsplit           1
- acceleration/energy drift too large   4.30329291680724     
-   16.5863891238881       split increased to            2  itime      687204 
+ acceleration/energy drift too large   3.40325807338277     
+   28.9278255458405       split increased to            2  itime      685054 
   itsplit           1
- acceleration/energy drift too large   2.75153251855902     
-   10.5885428713810       split increased to            2  itime      687205 
+ acceleration/energy drift too large   6.41450054805768     
+   22.8708497152051       split increased to            2  itime      685728 
   itsplit           1
- acceleration/energy drift too large   5.05690992523964     
-   28.6190254202801       split increased to            2  itime      687678 
+ acceleration/energy drift too large   3.04102050628852     
+   10.2377784641462       split increased to            2  itime      685777 
   itsplit           1
- acceleration/energy drift too large   3.84632605994929     
-   11.3402975225804       split increased to            2  itime      687679 
+Momenta zeroed out, time           137199.80
+Momenta zeroed out, time           137399.80
+ acceleration/energy drift too large   4.45989309561370     
+   14.7753181957819       split increased to            2  itime      687382 
   itsplit           1
 Momenta zeroed out, time           137599.80
- acceleration/energy drift too large   4.54131893459204     
-   13.1955714024232       split increased to            2  itime      688062 
-  itsplit           1
- acceleration/energy drift too large   4.14134328912840     
-   20.9435010931647       split increased to            2  itime      688063 
-  itsplit           1
- acceleration/energy drift too large   5.87592794386933     
-   19.1513875278220       split increased to            2  itime      688525 
+ acceleration/energy drift too large   5.64201586326576     
+   17.7728816657835       split increased to            2  itime      688407 
   itsplit           1
 Momenta zeroed out, time           137799.80
- acceleration/energy drift too large   4.84395988571988     
-   16.9441001192343       split increased to            2  itime      689132 
+ acceleration/energy drift too large   6.83666819429764     
+   24.7007180108606       split increased to            2  itime      689207 
   itsplit           1
- acceleration/energy drift too large   5.10075527141267     
-   14.1178882828726       split increased to            2  itime      689394 
+ acceleration/energy drift too large   4.48575594023510     
+   18.7648965003900       split increased to            2  itime      689539 
   itsplit           1
 Velocities reset to random values, time           137999.80
 Momenta zeroed out, time           137999.80
- acceleration/energy drift too large   5.89080109612607     
-   14.5928553223201       split increased to            2  itime      690110 
+ acceleration/energy drift too large   5.01755283449350     
+   14.4927150806725       split increased to            2  itime      690752 
   itsplit           1
- acceleration/energy drift too large   6.04521231751600     
-   16.7498745795107       split increased to            2  itime      690328 
+ acceleration/energy drift too large   4.02122082309590     
+   13.8273919509848       split increased to            2  itime      690899 
   itsplit           1
 Momenta zeroed out, time           138199.80
- acceleration/energy drift too large   11.7830571284055     
-   53.5699286581123       split increased to            2  itime      691223 
-  itsplit           1
- acceleration/energy drift too large   5.76024638696853     
-   20.5332118025716       split increased to            2  itime      691332 
-  itsplit           1
 Momenta zeroed out, time           138399.80
- acceleration/energy drift too large   4.41058219555837     
-   10.4544973486135       split increased to            2  itime      692481 
+ acceleration/energy drift too large   7.06893887318913     
+   18.4553093514257       split increased to            2  itime      692093 
   itsplit           1
-Momenta zeroed out, time           138599.80
- acceleration/energy drift too large   2.09905512736299     
-   11.5211601035798       split increased to            2  itime      693747 
+ acceleration/energy drift too large   3.88416761602780     
+   15.8773653579618       split increased to            2  itime      692395 
   itsplit           1
-Momenta zeroed out, time           138799.80
- acceleration/energy drift too large   12.4022239374923     
-   54.2630637368349       split increased to            2  itime      694206 
+ acceleration/energy drift too large   5.63539672880293     
+   15.2002438680067       split increased to            2  itime      692689 
   itsplit           1
- acceleration/energy drift too large   3.02047603743081     
-   12.9008481929658       split increased to            4  itime      694206 
-  itsplit           2
- acceleration/energy drift too large   3.01766550862573     
-   21.8997796853895       split increased to            2  itime      694212 
+Momenta zeroed out, time           138599.80
+ acceleration/energy drift too large   4.82017960818021     
+   14.5926444688287       split increased to            2  itime      693296 
   itsplit           1
- acceleration/energy drift too large   6.01140190140850     
-   25.2941934584138       split increased to            2  itime      694370 
+ acceleration/energy drift too large   7.63004017156510     
+   17.6975508802739       split increased to            2  itime      693764 
   itsplit           1
- acceleration/energy drift too large   3.88050824396441     
-   24.8282016571751       split increased to            2  itime      694809 
+Momenta zeroed out, time           138799.80
+ acceleration/energy drift too large   7.99185613175476     
+   28.3532655745905       split increased to            2  itime      694806 
   itsplit           1
 Momenta zeroed out, time           138999.80
-Momenta zeroed out, time           139199.80
- acceleration/energy drift too large   4.22323904997627     
-   16.2583195257798       split increased to            2  itime      696276 
+ acceleration/energy drift too large   5.91614902998298     
+   12.8582236441075       split increased to            2  itime      695491 
   itsplit           1
- acceleration/energy drift too large   5.41949533926109     
-   14.5299321087578       split increased to            2  itime      696277 
+ acceleration/energy drift too large   5.73864188285077     
+   21.3760016073729       split increased to            2  itime      695516 
   itsplit           1
- acceleration/energy drift too large   3.80306748705557     
-   14.4069538593211       split increased to            2  itime      696518 
-  itsplit           1
- acceleration/energy drift too large   5.53732388472308     
-   19.8244929070451       split increased to            2  itime      696597 
+Momenta zeroed out, time           139199.80
+ acceleration/energy drift too large   2.47042886796332     
+   21.9086602580762       split increased to            2  itime      696104 
   itsplit           1
 Momenta zeroed out, time           139399.80
- acceleration/energy drift too large   3.24816652179619     
-   16.8067498710711       split increased to            2  itime      697140 
-  itsplit           1
- acceleration/energy drift too large   3.57186113740660     
-   10.5387588638504       split increased to            2  itime      697209 
-  itsplit           1
- acceleration/energy drift too large   2.60993529150269     
-   13.2208909745509       split increased to            2  itime      697210 
+ acceleration/energy drift too large   3.90872053077997     
+   16.8157719660047       split increased to            2  itime      697710 
   itsplit           1
- acceleration/energy drift too large   9.43297932557985     
-   40.0193645166789       split increased to            2  itime      697669 
-  itsplit           1
- acceleration/energy drift too large   4.49774339677255     
-   11.5390418953248       split increased to            2  itime      697988 
+ acceleration/energy drift too large   3.17050331457633     
+   16.5275557584044       split increased to            2  itime      697752 
   itsplit           1
 Momenta zeroed out, time           139599.80
- acceleration/energy drift too large   3.94620345181057     
-   11.6272682477011       split increased to            2  itime      698362 
+ acceleration/energy drift too large   10.2350702673520     
+   45.3395769292104       split increased to            2  itime      698657 
   itsplit           1
 Momenta zeroed out, time           139799.80
- acceleration/energy drift too large   9.98278824567838     
-   48.1959824990951       split increased to            2  itime      699097 
-  itsplit           1
- acceleration/energy drift too large   4.40221836890161     
-   12.3500543325938       split increased to            2  itime      699354 
-  itsplit           1
- acceleration/energy drift too large   10.0035170451868     
-   52.3306676152008       split increased to            2  itime      699461 
-  itsplit           1
 Velocities reset to random values, time           139999.80
 Momenta zeroed out, time           139999.80
+ acceleration/energy drift too large   8.12084029899136     
+   17.5559465384633       split increased to            2  itime      700379 
+  itsplit           1
 Momenta zeroed out, time           140199.80
- acceleration/energy drift too large   5.33723857946948     
-   14.7572604498235       split increased to            2  itime      701572 
+ acceleration/energy drift too large   3.07555145100369     
+   10.8835550232463       split increased to            2  itime      701430 
+  itsplit           1
+ acceleration/energy drift too large   6.33322242017073     
+   18.4126345727075       split increased to            2  itime      701943 
   itsplit           1
 Momenta zeroed out, time           140399.80
- acceleration/energy drift too large   6.92810764551690     
-   20.3476201067828       split increased to            2  itime      702209 
+ acceleration/energy drift too large   4.83947834882460     
+   30.4327147436738       split increased to            2  itime      702016 
   itsplit           1
- acceleration/energy drift too large   6.13990172939406     
-   17.7000918913069       split increased to            2  itime      702669 
+ acceleration/energy drift too large   4.02405001154848     
+   14.9842860694191       split increased to            2  itime      702098 
   itsplit           1
- acceleration/energy drift too large   6.78256902640408     
-   32.6034043680271       split increased to            2  itime      702707 
+ acceleration/energy drift too large   4.02414342275683     
+   17.1310861277278       split increased to            2  itime      702792 
   itsplit           1
- acceleration/energy drift too large   2.77495383246855     
-   12.6020473239257       split increased to            2  itime      702934 
+ acceleration/energy drift too large   4.44824774851545     
+   13.0943676055703       split increased to            2  itime      702861 
   itsplit           1
 Momenta zeroed out, time           140599.80
- acceleration/energy drift too large   5.32573719995890     
-   13.4783254490750       split increased to            2  itime      703380 
-  itsplit           1
 Momenta zeroed out, time           140799.80
- acceleration/energy drift too large   4.75511357003463     
-   23.0632671723348       split increased to            2  itime      704215 
-  itsplit           1
- acceleration/energy drift too large   7.71753998082748     
-   29.5468271144354       split increased to            2  itime      704632 
-  itsplit           1
- acceleration/energy drift too large   6.81455624701138     
-   14.1718358662812       split increased to            2  itime      704791 
-  itsplit           1
 Momenta zeroed out, time           140999.80
- acceleration/energy drift too large   4.88627340022060     
-   27.3012990656129       split increased to            2  itime      705326 
-  itsplit           1
- acceleration/energy drift too large   4.76978923418967     
-   26.3484407507791       split increased to            2  itime      705585 
+ acceleration/energy drift too large   4.04374983046320     
+   19.4457241529488       split increased to            2  itime      705426 
   itsplit           1
 Momenta zeroed out, time           141199.80
-Momenta zeroed out, time           141399.80
-Momenta zeroed out, time           141599.80
- acceleration/energy drift too large   3.53587503360934     
-   14.3288371479042       split increased to            2  itime      708091 
+ acceleration/energy drift too large   7.86617433369960     
+   16.4511900436391       split increased to            2  itime      706345 
   itsplit           1
- acceleration/energy drift too large   2.89462034546778     
-   21.5320666596424       split increased to            2  itime      708431 
+ acceleration/energy drift too large   5.03601503065122     
+   19.7686568312865       split increased to            2  itime      706572 
   itsplit           1
- acceleration/energy drift too large   13.7916750583567     
-   78.3273792529504       split increased to            2  itime      708458 
+Momenta zeroed out, time           141399.80
+ acceleration/energy drift too large   3.30979324203278     
+   13.4586121334123       split increased to            2  itime      707328 
   itsplit           1
- acceleration/energy drift too large   3.41079623226577     
-   19.2884366764756       split increased to            4  itime      708458 
-  itsplit           2
- acceleration/energy drift too large   5.45311951450531     
-   20.4564186786455       split increased to            2  itime      708784 
+ acceleration/energy drift too large   5.14103188180572     
+   11.6339015480627       split increased to            2  itime      707658 
   itsplit           1
+Momenta zeroed out, time           141599.80
 Momenta zeroed out, time           141799.80
- acceleration/energy drift too large   11.1347279656469     
-   63.6181034100672       split increased to            2  itime      709316 
-  itsplit           1
 Velocities reset to random values, time           141999.80
 Momenta zeroed out, time           141999.80
- acceleration/energy drift too large   5.29349680773599     
-   36.6654794711669       split increased to            2  itime      710134 
-  itsplit           1
- acceleration/energy drift too large   4.37600863528838     
-   16.9315496876200       split increased to            2  itime      710268 
+ acceleration/energy drift too large   3.91892816193125     
+   12.9429586014427       split increased to            2  itime      710418 
   itsplit           1
 Momenta zeroed out, time           142199.80
+ acceleration/energy drift too large   4.25841062337520     
+   11.6103016395925       split increased to            2  itime      711796 
+  itsplit           1
 Momenta zeroed out, time           142399.80
- acceleration/energy drift too large   5.16412964185532     
-   20.9754764599315       split increased to            2  itime      712530 
+ acceleration/energy drift too large   3.83193085203388     
+   10.4390177718173       split increased to            2  itime      712664 
   itsplit           1
 Momenta zeroed out, time           142599.80
- acceleration/energy drift too large   1.50691292289293     
-   10.5802587301041       split increased to            2  itime      713306 
-  itsplit           1
 Momenta zeroed out, time           142799.80
 Momenta zeroed out, time           142999.80
 Momenta zeroed out, time           143199.80
- acceleration/energy drift too large   18.6635311038156     
-   131.703903244995       split increased to            2  itime      716231 
+ acceleration/energy drift too large   3.35780134978888     
+   10.8027292259166       split increased to            2  itime      716767 
+  itsplit           1
+ acceleration/energy drift too large   3.36431733587430     
+   12.3636007643218       split increased to            2  itime      716976 
   itsplit           1
- acceleration/energy drift too large   2.95595983678599     
-   12.9191974004407       split increased to            4  itime      716231 
-  itsplit           2
 Momenta zeroed out, time           143399.80
+ acceleration/energy drift too large   4.68345189631842     
+   11.7324096870952       split increased to            2  itime      717145 
+  itsplit           1
+ acceleration/energy drift too large   8.01242095554673     
+   31.9118292910132       split increased to            2  itime      717927 
+  itsplit           1
+ acceleration/energy drift too large   2.03290261561160     
+   10.6137007586244       split increased to            2  itime      717939 
+  itsplit           1
+ acceleration/energy drift too large   7.27177420184376     
+   12.4812736395165       split increased to            2  itime      717991 
+  itsplit           1
 Momenta zeroed out, time           143599.80
- acceleration/energy drift too large   6.84030946508297     
-   18.8433852336280       split increased to            2  itime      718638 
+ acceleration/energy drift too large   5.26878352794569     
+   17.6439957140611       split increased to            2  itime      718107 
+  itsplit           1
+ acceleration/energy drift too large   5.81567119244993     
+   16.0781274144664       split increased to            2  itime      718181 
   itsplit           1
 Momenta zeroed out, time           143799.80
 Velocities reset to random values, time           143999.80
 Momenta zeroed out, time           143999.80
- acceleration/energy drift too large   6.91894689932701     
-   21.3249282035210       split increased to            2  itime      720206 
-  itsplit           1
- acceleration/energy drift too large   4.33691184639761     
-   19.0649627308199       split increased to            2  itime      720618 
-  itsplit           1
- acceleration/energy drift too large   3.09685016401331     
-   12.8247383951206       split increased to            2  itime      720619 
+ acceleration/energy drift too large   6.30224498543775     
+   22.3120862215420       split increased to            2  itime      720985 
   itsplit           1
 Momenta zeroed out, time           144199.80
- acceleration/energy drift too large   4.51363369672536     
-   11.1339669899395       split increased to            2  itime      721544 
+ acceleration/energy drift too large   7.88440304640300     
+   17.4792961304944       split increased to            2  itime      721289 
   itsplit           1
- acceleration/energy drift too large   8.45152206841865     
-   45.6928872031444       split increased to            2  itime      721805 
+ acceleration/energy drift too large   5.98953933672294     
+   19.0836958135479       split increased to            2  itime      721472 
   itsplit           1
- acceleration/energy drift too large   2.80805737828140     
-   18.2184753073444       split increased to            4  itime      721805 
+ acceleration/energy drift too large   3.95282961300693     
+   11.1949242186814       split increased to            2  itime      721877 
   itsplit           1
 Momenta zeroed out, time           144399.80
- acceleration/energy drift too large   4.54506777838573     
-   12.9839277320478       split increased to            2  itime      722046 
-  itsplit           1
- acceleration/energy drift too large   7.20985334133945     
-   30.7219722539880       split increased to            2  itime      722867 
+ acceleration/energy drift too large   4.17103141817885     
+   10.4596940895956       split increased to            2  itime      722914 
   itsplit           1
 Momenta zeroed out, time           144599.80
-Momenta zeroed out, time           144799.80
- acceleration/energy drift too large   6.46941563559127     
-   48.6512678010497       split increased to            2  itime      724634 
-  itsplit           1
- acceleration/energy drift too large   1.59369853863517     
-   12.0834687662978       split increased to            4  itime      724634 
-  itsplit           2
-Momenta zeroed out, time           144999.80
- acceleration/energy drift too large   3.71746257519933     
-   14.7952432359218       split increased to            2  itime      725088 
+ acceleration/energy drift too large   2.08499839941413     
+   10.0106042659602       split increased to            2  itime      723261 
   itsplit           1
- acceleration/energy drift too large   4.32892304474977     
-   15.3840948321957       split increased to            2  itime      725289 
+ acceleration/energy drift too large   6.57878097704158     
+   19.6282905100443       split increased to            2  itime      723290 
   itsplit           1
- acceleration/energy drift too large   7.32285780545117     
-   15.8564821894953       split increased to            2  itime      725337 
+ acceleration/energy drift too large   6.44303636098645     
+   23.8487144042642       split increased to            2  itime      723412 
   itsplit           1
- acceleration/energy drift too large   3.62066793515212     
-   16.1945963021804       split increased to            2  itime      725594 
-  itsplit           1
- acceleration/energy drift too large   5.47137131363274     
-   16.2366447455078       split increased to            2  itime      725955 
+Momenta zeroed out, time           144799.80
+Momenta zeroed out, time           144999.80
+ acceleration/energy drift too large   3.04129614519582     
+   10.0695087815986       split increased to            2  itime      725663 
   itsplit           1
 Momenta zeroed out, time           145199.80
- acceleration/energy drift too large   2.49531573960145     
-   10.1740710567309       split increased to            2  itime      726991 
+ acceleration/energy drift too large   4.64285230882276     
+   11.3899413760891       split increased to            2  itime      726658 
   itsplit           1
 Momenta zeroed out, time           145399.80
- acceleration/energy drift too large   2.46228366914737     
-   13.4393373608396       split increased to            2  itime      727071 
+Momenta zeroed out, time           145599.80
+Momenta zeroed out, time           145799.80
+ acceleration/energy drift too large   12.6694901413031     
+   78.1262367992488       split increased to            2  itime      729256 
   itsplit           1
- acceleration/energy drift too large   10.0313944351536     
-   59.1346889905389       split increased to            2  itime      727496 
+ acceleration/energy drift too large   2.78735298411275     
+   14.6943822838297       split increased to            4  itime      729256 
   itsplit           1
- acceleration/energy drift too large   12.6605017802835     
-   70.4204692993153       split increased to            2  itime      727980 
+ acceleration/energy drift too large   7.48345809600169     
+   22.0179347801873       split increased to            2  itime      729408 
   itsplit           1
-Momenta zeroed out, time           145599.80
- acceleration/energy drift too large   13.6067520825123     
-   68.0018462525168       split increased to            2  itime      728754 
+ acceleration/energy drift too large   13.9702915929433     
+   102.712288954142       split increased to            2  itime      729463 
   itsplit           1
-Momenta zeroed out, time           145799.80
 Velocities reset to random values, time           145999.80
 Momenta zeroed out, time           145999.80
 Momenta zeroed out, time           146199.80
- acceleration/energy drift too large   5.38595430298914     
-   10.1714708286699       split increased to            2  itime      731413 
+ acceleration/energy drift too large   3.51557961373889     
+   15.3560348603351       split increased to            2  itime      731832 
   itsplit           1
 Momenta zeroed out, time           146399.80
 Momenta zeroed out, time           146599.80
- acceleration/energy drift too large   4.94171522001230     
-   15.8544516424368       split increased to            2  itime      733325 
-  itsplit           1
- acceleration/energy drift too large   6.05791376034668     
-   24.3667080012023       split increased to            2  itime      733382 
-  itsplit           1
- acceleration/energy drift too large   2.74117154808886     
-   12.7889905665552       split increased to            2  itime      733406 
-  itsplit           1
- acceleration/energy drift too large   4.16037061094160     
-   14.8417847511138       split increased to            2  itime      733954 
+ acceleration/energy drift too large   4.49531580672586     
+   16.5108200908109       split increased to            2  itime      733436 
   itsplit           1
 Momenta zeroed out, time           146799.80
- acceleration/energy drift too large   6.44326570333012     
-   19.6829268765058       split increased to            2  itime      734613 
+ acceleration/energy drift too large   5.02899350247668     
+   12.9476645243141       split increased to            2  itime      734597 
   itsplit           1
- acceleration/energy drift too large   5.03551975785244     
-   29.9334978880911       split increased to            2  itime      734847 
-  itsplit           1
- acceleration/energy drift too large   3.15796154708579     
-   12.0202221663565       split increased to            2  itime      734962 
+ acceleration/energy drift too large   12.0495195221725     
+   70.9992149345409       split increased to            2  itime      734862 
   itsplit           1
+ acceleration/energy drift too large   2.70433634847409     
+   14.8291089692520       split increased to            4  itime      734862 
+  itsplit           2
 Momenta zeroed out, time           146999.80
 Momenta zeroed out, time           147199.80
- acceleration/energy drift too large   6.62215422388790     
-   17.9673872189875       split increased to            2  itime      736997 
+ acceleration/energy drift too large   5.38421683877082     
+   19.1777376765647       split increased to            2  itime      736662 
   itsplit           1
 Momenta zeroed out, time           147399.80
- acceleration/energy drift too large   6.63184004590943     
-   27.8326938820119       split increased to            2  itime      737051 
-  itsplit           1
- acceleration/energy drift too large   3.30111345277077     
-   14.6584561789983       split increased to            2  itime      737609 
-  itsplit           1
 Momenta zeroed out, time           147599.80
- acceleration/energy drift too large   4.67678023500806     
-   21.9408507040582       split increased to            2  itime      738609 
+ acceleration/energy drift too large   5.18751867021822     
+   20.1712623876440       split increased to            2  itime      738415 
   itsplit           1
 Momenta zeroed out, time           147799.80
 Velocities reset to random values, time           147999.80
 Momenta zeroed out, time           147999.80
- acceleration/energy drift too large   5.17518409666868     
-   11.3082311276609       split increased to    acceleration/energy drift too large   2.95162438820865     
-   13.8974589494658       split increased to            2  itime      733977 
+ acceleration/energy drift too large   7.59213691652764     
+   30.5289014464981       split increased to            2  itime      740588 
   itsplit           1
-Momenta zeroed out, time           146799.80
- acceleration/energy drift too large   4.21986151520128     
-   11.1499650878294       split increased to            2  itime      734562 
-  itsplit           1
-Momenta zeroed out, time           146999.80
- acceleration/energy drift too large   10.3047272878999     
-   47.8906162571301       split increased to            2  itime      735200 
-  itsplit           1
-Momenta zeroed out, time           147199.80
- acceleration/energy drift too large   6.16525523901741     
-   24.0797362659340       split increased to            2  itime      736944 
-  itsplit           1
-Momenta zeroed out, time           147399.80
- acceleration/energy drift too large   4.28729260479458     
-   14.6330785866160       split increased to            2  itime      737082 
-  itsplit           1
- acceleration/energy drift too large   3.97837896488065     
-   12.7446660852904       split increased to            2  itime      737228 
-  itsplit           1
- acceleration/energy drift too large   7.27001370830453     
-   37.5409351867734       split increased to            2  itime      737743 
-  itsplit           1
-Momenta zeroed out, time           147599.80
- acceleration/energy drift too large   1.74527820653568     
-   10.7487402713135       split increased to            2  itime      738886 
-  itsplit           1
-Momenta zeroed out, time           147799.80
- acceleration/energy drift too large   6.43335618833399     
-   23.3936771475645       split increased to            2  itime      739020 
-  itsplit           1
- acceleration/energy drift too large   6.77900574935551     
-   21.2507199342669       split increased to            2  itime      739880 
-  itsplit           1
-Velocities reset to random values, time           147999.80
-Momenta zeroed out, time           147999.80
- acceleration/energy drift too large   3.21282575443275     
-   11.5999002581558       split increased to            2  itime      740596 
+ acceleration/energy drift too large   6.99454533409227     
+   32.7936535224281       split increased to            2  itime      740597 
   itsplit           1
 Momenta zeroed out, time           148199.80
- acceleration/energy drift too large   7.34732516451985     
-   12.8517160511925       split increased to            2  itime      741148 
-  itsplit           1
- acceleration/energy drift too large   5.20859148781929     
-   17.1993233575408       split increased to            2  itime      741973 
-  itsplit           1
 Momenta zeroed out, time           148399.80
 Momenta zeroed out, time           148599.80
- acceleration/energy drift too large   4.30416294236798     
-   15.9787797250052       split increased to            2  itime      743358 
-  itsplit           1
- acceleration/energy drift too large   4.84187595883512     
-   15.2999025333719       split increased to            2  itime      743490 
-  itsplit           1
 Momenta zeroed out, time           148799.80
- acceleration/energy drift too large   4.10390393313602     
-   14.2571111705057       split increased to            2  itime      744482 
+ acceleration/energy drift too large   6.84580068256362     
+   20.3882173724339       split increased to            2  itime      744085 
   itsplit           1
 Momenta zeroed out, time           148999.80
+ acceleration/energy drift too large   4.50612455920348     
+   12.9551287178633       split increased to            2  itime      745737 
+  itsplit           1
 Momenta zeroed out, time           149199.80
+ acceleration/energy drift too large   3.70951385890194     
+   10.1689534998722       split increased to            2  itime      746301 
+  itsplit           1
+ acceleration/energy drift too large   4.74746321377411     
+   16.3502154938674       split increased to            2  itime      746350 
+  itsplit           1
+ acceleration/energy drift too large   4.42478540276806     
+   12.7169955873930       split increased to            2  itime      746814 
+  itsplit           1
 Momenta zeroed out, time           149399.80
- acceleration/energy drift too large   4.62179077842985     
-   10.8258942065575       split increased to            2  itime      747086 
+ acceleration/energy drift too large   5.67568227341459     
+   20.4520050501725       split increased to            2  itime      747464 
+  itsplit           1
+ acceleration/energy drift too large   2.76086345221756     
+   21.6132591268553       split increased to            2  itime      747536 
   itsplit           1
 Momenta zeroed out, time           149599.80
 Momenta zeroed out, time           149799.80
- acceleration/energy drift too large   1.20094208698931     
-   11.5912942373797       split increased to            2  itime      749061 
-  itsplit           1
- acceleration/energy drift too large   2.71508308776020     
-   21.6560811306469       split increased to            2  itime      749719 
+ acceleration/energy drift too large   6.70073565500720     
+   22.3351820380965       split increased to            2  itime      749045 
   itsplit           1
 Velocities reset to random values, time           149999.80
 Momenta zeroed out, time           149999.80
- acceleration/energy drift too large   6.79172559623419     
-   20.8614686298506       split increased to            2  itime      750978 
-  itsplit           1
 Momenta zeroed out, time           150199.80
+ acceleration/energy drift too large   3.83798322543407     
+   12.3026255075041       split increased to            2  itime      751565 
+  itsplit           1
 Momenta zeroed out, time           150399.80
- acceleration/energy drift too large   5.49027702303108     
-   16.2539653542395       split increased to            2  itime      752740 
+ acceleration/energy drift too large   3.03151201599969     
+   15.2377157509101       split increased to            2  itime      752454 
+  itsplit           1
+ acceleration/energy drift too large   13.2800672952337     
+   88.9518372494639       split increased to            2  itime      752890 
   itsplit           1
 Momenta zeroed out, time           150599.80
+ acceleration/energy drift too large   6.24096472088673     
+   37.4100397450647       split increased to            2  itime      753518 
+  itsplit           1
 Momenta zeroed out, time           150799.80
- acceleration/energy drift too large   5.67559476489081     
-   13.5161467128300       split increased to            2  itime      754722 
+ acceleration/energy drift too large   4.81388932449278     
+   12.2800897416582       split increased to            2  itime      754312 
   itsplit           1
 Momenta zeroed out, time           150999.80
+ acceleration/energy drift too large   5.38059929726874     
+   10.0633047371620       split increased to            2  itime      755561 
+  itsplit           1
 Momenta zeroed out, time           151199.80
- acceleration/energy drift too large   5.89006713713625     
-   20.3041204520123       split increased to            2  itime      756708 
+ acceleration/energy drift too large   6.94868825861227     
+   22.1298558012623       split increased to            2  itime      756412 
+  itsplit           1
+ acceleration/energy drift too large   5.42271924625716     
+   30.7652417036456       split increased to            2  itime      756497 
   itsplit           1
 Momenta zeroed out, time           151399.80
- acceleration/energy drift too large   5.81266930215132     
-   15.7661701476907       split increased to            2  itime      757911 
+ acceleration/energy drift too large   5.73727443059811     
+   27.4917748657658       split increased to            2  itime      757580 
   itsplit           1
- acceleration/energy drift too large   7.00996148344139     
-   23.2445926230732       split increased to            2  itime      757986 
+ acceleration/energy drift too large   4.03110618632753     
+   25.5050249523429       split increased to            2  itime      757581 
   itsplit           1
 Momenta zeroed out, time           151599.80
- acceleration/energy drift too large   5.54948857043051     
-   21.1333164902659       split increased to            2  itime      758085 
-  itsplit           1
 Momenta zeroed out, time           151799.80
- acceleration/energy drift too large   7.81415340968846     
-   28.8843177942246       split increased to            2  itime      759068 
-  itsplit           1
- acceleration/energy drift too large   3.21819912907957     
-   10.6569816156686       split increased to            2  itime      759069 
-  itsplit           1
- acceleration/energy drift too large   9.91770870323682     
-   51.3289061457115       split increased to            2  itime      759730 
+ acceleration/energy drift too large   5.02593285995293     
+   16.8959543389645       split increased to            2  itime      759854 
   itsplit           1
 Velocities reset to random values, time           151999.80
 Momenta zeroed out, time           151999.80
+ acceleration/energy drift too large   10.7070133320558     
+   50.9772809078351       split increased to            2  itime      760251 
+  itsplit           1
 Momenta zeroed out, time           152199.80
 Momenta zeroed out, time           152399.80
- acceleration/energy drift too large   5.73394451478652     
-   22.4733881658189       split increased to            2  itime      762949 
+ acceleration/energy drift too large   2.05059447894282     
+   10.6378062001593       split increased to            2  itime      762200 
   itsplit           1
 Momenta zeroed out, time           152599.80
 Momenta zeroed out, time           152799.80
- acceleration/energy drift too large   5.03179282682908     
-   15.0080345155792       split increased to            2  itime      764343 
-  itsplit           1
- acceleration/energy drift too large   5.68197333612744     
-   28.7378601105310       split increased to            2  itime      764359 
-  itsplit           1
- acceleration/energy drift too large   10.9815049292613     
-   57.1958252817181       split increased to            2  itime      764562 
-  itsplit           1
 Momenta zeroed out, time           152999.80
 Momenta zeroed out, time           153199.80
- acceleration/energy drift too large   5.08333065891688     
-   31.0115898978525       split increased to            2  itime      766623 
+ acceleration/energy drift too large   5.54831137698246     
+   13.1631206340651       split increased to            2  itime      766040 
   itsplit           1
- acceleration/energy drift too large   3.65379297703176     
-   14.1123427282911       split increased to            2  itime      766748 
+ acceleration/energy drift too large   3.65055388972057     
+   14.1596372183278       split increased to            2  itime      766128 
+  itsplit           1
+ acceleration/energy drift too large   5.30904746441942     
+   30.8957397934610       split increased to            2  itime      766775 
+  itsplit           1
+ acceleration/energy drift too large   3.34124276632325     
+   13.1064996159065       split increased to            2  itime      766855 
   itsplit           1
 Momenta zeroed out, time           153399.80
+ acceleration/energy drift too large   3.39267892920923     
+   13.5515507569693       split increased to            2  itime      767743 
+  itsplit           1
 Momenta zeroed out, time           153599.80
- acceleration/energy drift too large   5.94652134594444     
-   10.9755674139209       split increased to            2  itime      768155 
+ acceleration/energy drift too large   7.20436398737396     
+   32.0791468862159       split increased to            2  itime      768658 
   itsplit           1
-Momenta zeroed out, time           153799.80
- acceleration/energy drift too large   4.43927157191129     
-   11.3380052592727       split increased to            2  itime      769782 
+ acceleration/energy drift too large   10.9931770022294     
+   64.1984866571195       split increased to            2  itime      768740 
   itsplit           1
+Momenta zeroed out, time           153799.80
 Velocities reset to random values, time           153999.80
 Momenta zeroed out, time           153999.80
- acceleration/energy drift too large   6.38382248291505     
-   39.5084826157854       split increased to            2  itime      770735 
+ acceleration/energy drift too large   2.78736223170043     
+   18.9162603104492       split increased to            2  itime      770570 
   itsplit           1
- acceleration/energy drift too large   4.97502310269118     
-   12.7587691452867       split increased to            2  itime      770808 
+ acceleration/energy drift too large   4.96315301920051     
+   14.6292011696595       split increased to            2  itime      770914 
   itsplit           1
 Momenta zeroed out, time           154199.80
- acceleration/energy drift too large   8.11905122821011     
-   33.4415177758244       split increased to            2  itime      771004 
-  itsplit           1
- acceleration/energy drift too large   4.16055025866710     
-   16.1596488859378       split increased to            2  itime      771383 
+ acceleration/energy drift too large   7.42840031850442     
+   10.0553923821915       split increased to            2  itime      771244 
   itsplit           1
- acceleration/energy drift too large   4.42526352604458     
-   15.4456005149947       split increased to            2  itime      771887 
+ acceleration/energy drift too large   5.72573196228225     
+   25.3953605507988       split increased to            2  itime      771273 
   itsplit           1
 Momenta zeroed out, time           154399.80
- acceleration/energy drift too large   6.89836877127477     
-   22.9545892817747       split increased to            2  itime      772223 
+ acceleration/energy drift too large   4.18280502247532     
+   14.7058124807719       split increased to            2  itime      772338 
   itsplit           1
- acceleration/energy drift too large   2.41465900596365     
-   12.7685925816059       split increased to            2  itime      772340 
+ acceleration/energy drift too large   5.67148781296635     
+   12.2649465023510       split increased to            2  itime      772378 
   itsplit           1
 Momenta zeroed out, time           154599.80
- acceleration/energy drift too large   6.19845382703684     
-   11.6984841318218       split increased to            2  itime      773114 
+ acceleration/energy drift too large   4.17865077711719     
+   16.2413295203216       split increased to            2  itime      773208 
+  itsplit           1
+ acceleration/energy drift too large   5.05540346435500     
+   21.3852192612180       split increased to            2  itime      773925 
   itsplit           1
 Momenta zeroed out, time           154799.80
- acceleration/energy drift too large   5.63360844951393     
-   26.6190561734382       split increased to            2  itime      774365 
+ acceleration/energy drift too large   3.78891308739025     
+   25.1349013206696       split increased to            2  itime      774076 
   itsplit           1
- acceleration/energy drift too large   8.06328163861190     
-   33.9531071522443       split increased to            2  itime      774960 
+ acceleration/energy drift too large   5.38086879402062     
+   19.4915883105593       split increased to            2  itime      774383 
   itsplit           1
 Momenta zeroed out, time           154999.80
- acceleration/energy drift too large   5.90702432691914     
-   12.1528752234024       split increased to            2  itime      775196 
-  itsplit           1
- acceleration/energy drift too large   5.77280777235344     
-   24.1975133006724       split increased to            2  itime      775566 
+ acceleration/energy drift too large   4.27940739930308     
+   17.5256366654333       split increased to            2  itime      775788 
   itsplit           1
- acceleration/energy drift too large   6.84281795180742     
-   32.4322815829667       split increased to            2  itime      775763 
+ acceleration/energy drift too large   6.16284149403406     
+   28.5689569363674       split increased to            2  itime      775941 
   itsplit           1
 Momenta zeroed out, time           155199.80
- acceleration/energy drift too large   4.13047316047853     
-   10.9349789567106       split increased to            2  itime      776134 
+ acceleration/energy drift too large   3.31164682384669     
+   11.7198656340016       split increased to            2  itime      776265 
   itsplit           1
- acceleration/energy drift too large   7.93598512407895     
-   32.7141726099762       split increased to            2  itime      776476 
+ acceleration/energy drift too large   9.25246622213166     
+   40.2195831499632       split increased to            2  itime      776587 
+  itsplit           1
+ acceleration/energy drift too large   5.04491186115024     
+   23.9793985847177       split increased to            2  itime      776805 
+  itsplit           1
+ acceleration/energy drift too large   6.07793297062529     
+   43.6807858475078       split increased to            2  itime      776911 
   itsplit           1
 Momenta zeroed out, time           155399.80
- acceleration/energy drift too large   3.55519374538127     
-   10.2478490480048       split increased to            2  itime      777200 
+Momenta zeroed out, time           155599.80
+ acceleration/energy drift too large   5.72090176903927     
+   20.8493978936101       split increased to            2  itime      778243 
   itsplit           1
- acceleration/energy drift too large   5.91051446164233     
-   17.4294284589464       split increased to            2  itime      777253 
+ acceleration/energy drift too large   5.51847930435524     
+   13.9743711763295       split increased to            2  itime      778561 
   itsplit           1
- acceleration/energy drift too large   3.86824885522194     
-   11.3820758603398       split increased to            2  itime      777674 
+ acceleration/energy drift too large   2.94905245708257     
+   12.8801301516772       split increased to            2  itime      778872 
   itsplit           1
- acceleration/energy drift too large   3.34058259587104     
-   11.4904836613046       split increased to            2  itime      777718 
+ acceleration/energy drift too large   3.42861348127636     
+   13.9942705890989       split increased to            2  itime      778993 
   itsplit           1
-Momenta zeroed out, time           155599.80
 Momenta zeroed out, time           155799.80
- acceleration/energy drift too large   6.17893472502255     
-   10.4612150180094       split increased to            2  itime      779919 
+ acceleration/energy drift too large   3.81232769433918     
+   14.4427595677988       split increased to            2  itime      779809 
   itsplit           1
 Velocities reset to random values, time           155999.80
 Momenta zeroed out, time           155999.80
- acceleration/energy drift too large   3.57147258927460     
-   19.7631409564730       split increased to            2  itime      780293 
+ acceleration/energy drift too large   6.39926584751951     
+   10.4842847215443       split increased to            2  itime      780359 
   itsplit           1
- acceleration/energy drift too large   7.43333652372061     
-   30.2406047435426       split increased to            2  itime      780773 
+ acceleration/energy drift too large   5.57683107289522     
+   13.5292872988342       split increased to            2  itime      780748 
   itsplit           1
 Momenta zeroed out, time           156199.80
- acceleration/energy drift too large   6.77027193837377     
-   28.8937498081124       split increased to            2  itime      781028 
-  itsplit           1
- acceleration/energy drift too large   3.49544183409598     
-   12.0183585005040       split increased to            2  itime      781332 
-  itsplit           1
- acceleration/energy drift too large   5.26480199285341     
-   12.0510990470925       split increased to            2  itime      781558 
-  itsplit           1
- acceleration/energy drift too large   5.85770743619866     
-   10.4087499810428       split increased to            2  itime      781626 
-  itsplit           1
 Momenta zeroed out, time           156399.80
- acceleration/energy drift too large   6.26963665894757     
-   24.4983714678022       split increased to            2  itime      782740 
-  itsplit           1
- acceleration/energy drift too large   5.28165960160775     
-   25.9799982437586       split increased to            2  itime      782781 
-  itsplit           1
- acceleration/energy drift too large   8.24073833844461     
-   29.0490808506038       split increased to            2  itime      782967 
-  itsplit           1
 Momenta zeroed out, time           156599.80
- acceleration/energy drift too large   2.44557434569817     
-   21.3230875644897       split increased to            2  itime      783742 
+ acceleration/energy drift too large   3.90379862757180     
+   13.9423019996599       split increased to            2  itime      783451 
   itsplit           1
- acceleration/energy drift too large   6.33671370951661     
-   43.7779131316629       split increased to            2  itime      783780 
+ acceleration/energy drift too large   5.46495574248839     
+   12.6039611815333       split increased to            2  itime      783840 
   itsplit           1
- acceleration/energy drift too large   1.55412357650609     
-   10.6881047791279       split increased to            4  itime      783780 
-  itsplit           2
-Momenta zeroed out, time           156799.80
-Momenta zeroed out, time           156999.80
- acceleration/energy drift too large   3.37915983415601     
-   12.4648943998140       split increased to            2  itime      785330 
+ acceleration/energy drift too large   3.37501849243201     
+   25.9196802781011       split increased to            2  itime      783966 
   itsplit           1
- acceleration/energy drift too large   9.14455701824945     
-   36.6324364947183       split increased to            2  itime      785384 
+Momenta zeroed out, time           156799.80
+ acceleration/energy drift too large   3.95725034754893     
+   12.2456700237529       split increased to            2  itime      784315 
   itsplit           1
-Momenta zeroed out, time           157199.80
- acceleration/energy drift too large   4.24538898772343     
-   11.0770165178775       split increased to            2  itime      786538 
+ acceleration/energy drift too large   4.24429589838729     
+   14.4695097625316       split increased to            2  itime      784533 
   itsplit           1
- acceleration/energy drift too large   4.09409243074300     
-   11.3332497126602       split increased to            2  itime      786799 
+ acceleration/energy drift too large   6.91684659772247     
+   44.7209914835146       split increased to            2  itime      784760 
   itsplit           1
- acceleration/energy drift too large   2.72901384045044     
-   10.1355371465896       split increased to            2  itime      786811 
+ acceleration/energy drift too large   11.1983090554976     
+   68.4306462655116       split increased to            2  itime      784785 
   itsplit           1
- acceleration/energy drift too large   5.78767551400835     
-   18.7441049496817       split increased to            2  itime      786909 
+Momenta zeroed out, time           156999.80
+Momenta zeroed out, time           157199.80
+ acceleration/energy drift too large   5.56214516747216     
+   28.4448783011517       split increased to            2  itime      786340 
   itsplit           1
 Momenta zeroed out, time           157399.80
- acceleration/energy drift too large   4.46967687268174     
-   11.8986237360458       split increased to            2  itime      787303 
+ acceleration/energy drift too large   4.11667318196377     
+   10.6710634464442       split increased to            2  itime      787194 
+  itsplit           1
+ acceleration/energy drift too large   3.28567225605191     
+   10.0658506227329       split increased to            2  itime      787751 
   itsplit           1
 Momenta zeroed out, time           157599.80
- acceleration/energy drift too large   3.60146095488187     
-   13.3088034696083       split increased to            2  itime      788331 
+ acceleration/energy drift too large   3.97135331571551     
+   22.2198496031282       split increased to            2  itime      788125 
   itsplit           1
 Momenta zeroed out, time           157799.80
- acceleration/energy drift too large   4.21962260361948     
-   10.1987936277326       split increased to            2  itime      789146 
-  itsplit           1
- acceleration/energy drift too large   4.18570884166543     
-   16.8841835451363       split increased to            2  itime      789743 
-  itsplit           1
- acceleration/energy drift too large   6.65943323886815     
-   18.0837863120707       split increased to            2  itime      789770 
-  itsplit           1
- acceleration/energy drift too large  0.308794805710916     
-   11.9729779643394       split increased to            2  itime      789771 
+ acceleration/energy drift too large   7.76932777679681     
+   26.4602283733104       split increased to            2  itime      789754 
   itsplit           1
 Velocities reset to random values, time           157999.80
 Momenta zeroed out, time           157999.80
- acceleration/energy drift too large   6.26729995143277     
-   16.1402087100211       split increased to            2  itime      790330 
-  itsplit           1
- acceleration/energy drift too large   5.78259496708150     
-   12.4060224445957       split increased to            2  itime      790480 
-  itsplit           1
- acceleration/energy drift too large   8.66027599890763     
-   28.6598648753717       split increased to            2  itime      790725 
+ acceleration/energy drift too large   5.08572088064351     
+   20.3545958489043       split increased to            2  itime      790080 
   itsplit           1
 Momenta zeroed out, time           158199.80
 Momenta zeroed out, time           158399.80
- acceleration/energy drift too large   3.91048080169447     
-   10.1446545894453       split increased to            2  itime      792022 
+ acceleration/energy drift too large   5.33961401180164     
+   11.3120350590860       split increased to            2  itime      792342 
   itsplit           1
- acceleration/energy drift too large   1.62603449326466     
-   11.8520830278391       split increased to            2  itime      792440 
+ acceleration/energy drift too large   9.60750562542129     
+   47.3316670601434       split increased to            2  itime      792420 
   itsplit           1
 Momenta zeroed out, time           158599.80
- acceleration/energy drift too large   4.00866758409064     
-   12.2153913575200       split increased to            2  itime      793021 
+ acceleration/energy drift too large   4.01970694498046     
+   10.8031001747903       split increased to            2  itime      793101 
   itsplit           1
- acceleration/energy drift too large   3.66062877313446     
-   18.5276975186431       split increased to            2  itime      793052 
+ acceleration/energy drift too large   3.19855907340106     
+   28.2673895875284       split increased to            2  itime      793415 
   itsplit           1
- acceleration/energy drift too large   3.53972023383297     
-   12.9521842427554       split increased to            2  itime      793086 
+Momenta zeroed out, time           158799.80
+ acceleration/energy drift too large   4.85103658676178     
+   12.9408344144265       split increased to            2  itime      794409 
   itsplit           1
- acceleration/energy drift too large   5.15697515223070     
-   13.8230682881194       split increased to            2  itime      793492 
+ acceleration/energy drift too large   5.34737128229219     
+   19.8568737024531       split increased to            2  itime      794912 
   itsplit           1
- acceleration/energy drift too large   9.34454529592489     
-   31.9122494703328       splMomenta zeroed out, time           159199.80
- acceleration/energy drift too large   2.21535811832449     
-   13.2148 acceleration/energy drift too large   11.2522784374411     
-   76.9644787111714       split increased to            2  itime      794606 
-  itsplit           1
- acceleration/energy drift too large   5.43574582892803     
-   13.2987007649261       split increased to            2  itime      794721 
-  itsplit           1
- acceleration/energy drift too large   5.65909868458313     
-   29.4005004863475       split increased to            2  itime      794857 
-  itsplit           1
- acceleration/energy drift too large   6.06600678648579     
-   41.5039385377299       splMomenta zeroed out, time           159399.80
- acceleration/energy drift too large   4.65631104095660     
-   34.6675973468817       split increased to            2  itime      797632 
+Momenta zeroed out, time           158999.80
+Momenta zeroed out, time           159199.80
+ acceleration/energy drift too large   4.16085965866658     
+   14.7027162497528       split increased to            2  itime      796512 
   itsplit           1
+Momenta zeroed out, time           159399.80
 Momenta zeroed out, time           159599.80
 Momenta zeroed out, time           159799.80
- acceleration/energy drift too large   4.14658576606778     
-   12.5531708749117       split increased to            2  itime      799539 
-  itsplit           1
- acceleration/energy drift too large   4.87837085201459     
-   10.2071536602527       split increased to            2  itime      799706 
+ acceleration/energy drift too large   2.70318515143640     
+   19.2523175639092       split increased to            2  itime      799551 
   itsplit           1
 Velocities reset to random values, time           159999.80
 Momenta zeroed out, time           159999.80
- acceleration/energy drift too large   13.3024925693051     
-   71.7325608214982       split increased to            2  itime      800035 
-  itsplit           1
- acceleration/energy drift too large   2.81584813579676     
-   13.7924866970630       split increased to            4  itime      800035 
-  itsplit           2
- accelerati acceleration/energy drift too large   7.65655074156681     
-   29.0511990586830       split increased to            2  itime      798173 
-  itsplit   acceleratiMomenta zeroed out, time           159799.80
-Velocities reset to random values, time           159999.80
-Momenta zeroed out, time           159999.80
- acceleration/energy drift too large   5.09882169375272     
-   32.2948763508948       split increased to            2  itime      800457 
+ acceleration/energy drift too large   5.07998780654909     
+   10.7340478358157       split increased to            2  itime      800074 
   itsplit           1
 Momenta zeroed out, time           160199.80
- acceleration/energy drift too large   8.58014565098139     
-   41.3317098168360       split increased to            2  itime      801023 
-  itsplit           1
 Momenta zeroed out, time           160399.80
- acceleration/energy drift too large   5.42388653008904     
-   14.5323260237083       split increased to            2  itime      802972 
-  itsplit           1
-Momenta zeroed out, time           160599.80
- acceleration/energy drift too large   6.89969163677076     
-   22.2328157762167       split increased to            2  itime      803007 
+ acceleration/energy drift too large   4.47197868181604     
+   24.6092363565604       split increased to            2  itime      802560 
   itsplit           1
- acceleration/energy drift too large   2.18062916082286     
-   17.9258947761277       split increased to            2  itime      803008 
+ acceleration/energy drift too large   4.03874936239415     
+   15.4733928542496       split increased to            2  itime      802582 
   itsplit           1
- acceleration/energy drift too large   3.04048969932385     
-   12.7509972957296       split increased to            2  itime      803461 
+ acceleration/energy drift too large   8.05463584600866     
+   38.3283942097221       split increased to            2  itime      802922 
   itsplit           1
- acceleration/energy drift too large   4.20123315511202     
-   13.4045133049806       split increased to            2  itime      803918 
+Momenta zeroed out, time           160599.80
+ acceleration/energy drift too large   5.22226843275625     
+   13.1655763360142       split increased to            2  itime      803752 
   itsplit           1
 Momenta zeroed out, time           160799.80
- acceleration/energy drift too large   6.31941126553555     
-   43.8233543202160       split increased to            2  itime      804855 
+ acceleration/energy drift too large   5.54304894233344     
+   32.8005098787089       split increased to            2  itime      804143 
+  itsplit           1
+ acceleration/energy drift too large   4.59797031289163     
+   27.4791966868955       split increased to            2  itime      804299 
   itsplit           1
 Momenta zeroed out, time           160999.80
- acceleration/energy drift too large   5.51591170515202     
-   25.9591730137256       spl acceleration/energy drift too large   7.87659440182261     
-   22.8617245441840       split increased to            2  itime      807725 
+Momenta zeroed out, time           161199.80
+Momenta zeroed out, time           161399.80
+ acceleration/energy drift too large   6.66043785385994     
+   14.2112226090156       split increased to            2  itime      807021 
   itsplit           1
-Momenta zeroed out, time           161599.80
- acceleration/energy drift too large   4.17294490103487     
-   13.8487 acceleration/energy drift too large   6.30544121842299     
-   34.5716209128219       spl acceleration/energy drift too large   3.54087753899953     
-   13.0100 acceleration/energy drift too large   4.13666668920850     
-   13.4185321916538       splMomenta zeroed out, time           161799.80
- acceleration/energy drift too large   10.9145209930690     
-   62.4616674871481       split increased to            2  itime      809820 
+ acceleration/energy drift too large   6.64585416896902     
+   18.4270170325502       split increased to            2  itime      807422 
   itsplit           1
- acceleration/energy drift too large   6.36669228681820     
-   18.3102149940737       split increased to            2  itime      809865 
+Momenta zeroed out, time           161599.80
+Momenta zeroed out, time           161799.80
+ acceleration/energy drift too large   5.17174661453508     
+   13.0962076112202       split increased to            2  itime      809008 
   itsplit           1
 Velocities reset to random values, time           161999.80
 Momenta zeroed out, time           161999.80
- acceleration/energy drift too large   4.41791831484597     
-   21.5953048559626       split increased to            2  itime      810247 
-  itsplit           1
- accelerati acceleration/energy drift too large   3.07481248163267     
-   10.1630355901548       split increased to            2  itime      808791 
-  itsplit  Momenta zerMomenta zeroed out, time           accelerati acceleration/energy drift too large   4.25995080417620     
-   12.9153530960181       split increased to            2  itime      809629 
-  itsplit   acceleratiVelocities reset to random values, time           161999.80
-Momenta zeroed out, time           161999.80
- acceleration/energy drift too large   13.2331955106651     
-   55.8045625710766       spl acceleration/energy drift too large   3.87656866357682     
-   19.1498034965224       split increased to            2  itime      812481 
+ acceleration/energy drift too large   5.10540736878908     
+   10.0138371492185       split increased to            2  itime      810237 
+  itsplit           1
+Momenta zeroed out, time           162199.80
+Momenta zeroed out, time           162399.80
+ acceleration/energy drift too large   5.58778690030611     
+   13.9162221555311       split increased to            2  itime      812844 
   itsplit           1
 Momenta zeroed out, time           162599.80
- acceleration/energy drift too large   4.56424682110470     
-   22.0940Momenta zeroed out, time           162399.80
- acceleration/energy drift too large   3.57878330101743     
-   14.5673731675939       spl acceleration/energy drift too large   2.60717064647675     
-   11.5965 acceleration/energy drift too large   4.31050596837727     
-   17.6677017401258       split increased to            2  itime      8128 acceleration/energy drift too large   4.18183930134012     
-   13.2960278623287       split increased to            2  itime      815683 
-  itsplit           1
- acceleration/energy drift too large   4.39210091043076     
-   23.0617Momenta zeroed out, time           162799.80
-Momenta zeroed out, time           162999.80
- acceleration/energy drift too large   6.93643340701712     
-   22.2342326768857       split increased to            2  itime      815543 
+Momenta zeroed out, time           162799.80
+ acceleration/energy drift too large   2.34274358903277     
+   10.0233690902528       split increased to            2  itime      814696 
   itsplit           1
+ acceleration/energy drift too large   4.50159686449777     
+   24.4284283614161       split increased to            2  itime      814786 
+  itsplit           1
+Momenta zeroed out, time           162999.80
 Momenta zeroed out, time           163199.80
- acceleration/energy drift too large   11.5951933640703     
-   84.1635073859852       split increased to            2  itime      816305 
+ acceleration/energy drift too large   4.46348103677845     
+   10.7776695806551       split increased to            2  itime      816017 
+  itsplit           1
+ acceleration/energy drift too large   3.85138234355323     
+   19.4683382182357       split increased to            2  itime      816302 
   itsplit           1
 Momenta zeroed out, time           163399.80
-Momenta zeroed out, time           163599.80
- acceleration/energy drift too large   4.45855865785494     
-   18.4631966675104       split increased to            2  itime      818238 
+ acceleration/energy drift too large   5.87164296208973     
+   40.1906190658142       split increased to            2  itime      817351 
   itsplit           1
- acceleration/energy drift too large   3.24581034931548     
-   20.0838840913626       split increased to            2  itime      818766 
+Momenta zeroed out, time           163599.80
+ acceleration/energy drift too large   5.54861800832030     
+   11.4248985455335       split increased to            2  itime      818810 
   itsplit           1
 Momenta zeroed out, time           163799.80
- acceleration/energy drift too large   2.21619895071217     
-   14.2194456370416       split increased to            2  itime      819038 
+ acceleration/energy drift too large   8.53229273658280     
+   32.4750577382703       split increased to            2  itime      819677 
   itsplit           1
- acceleration/energy drift too large   4.60150686399460     
-   11.9113067826945       split increased to            2  itime      819843 
+ acceleration/energy drift too large   3.79922294416586     
+   11.0889368427962       split increased to            2  itime      819678 
   itsplit           1
 Velocities reset to random values, time           163999.80
 Momenta zeroed out, time           163999.80
- acceleration/energy drift too large   12.7740814454262     
-   88.7448624912236       split increased to            2  itime      820617 
+ acceleration/energy drift too large   5.29864010969873     
+   12.3681387246619       split increased to            2  itime      820797 
   itsplit           1
 Momenta zeroed out, time           164199.80
- acceleration/energy drift too large   5.02332841371376     
-   30.3912219223513       split increased to            2  itime      821526 
-  itsplit           1
 Momenta zeroed out, time           164399.80
- acceleration/energy drift too large   4.32811725934823     
-   27.1082240502959       split increased to            2  itime      822391 
+ acceleration/energy drift too large   5.85811027655163     
+   27.6891072902539       split increased to            2  itime      822852 
   itsplit           1
- acceleration/energy drift too large   5.83226704203604     
-   49.0789110499684       split increased to            2  itime      822437 
+Momenta zeroed out, time           164599.80
+ acceleration/energy drift too large   6.47230492376618     
+   27.2136457843124       split increased to            2  itime      823129 
   itsplit           1
- acceleration/energy drift too large   1.47462913603585     
-   12.4562789037822       split increased to            4  itime      822437 
-  itsplit           2
- acceleration/energy drift too large   6.44118203863489     
-   15.8604489962861       split increased to            2  itime      822551 
+Momenta zeroed out, time           164799.80
+ acceleration/energy drift too large   7.19181871282770     
+   25.4039485047304       split increased to            2  itime      824688 
   itsplit           1
- acceleration/energy drift too large   3.77981048965179     
-   10.0630682889227       split increased to            2  itime      8226 acceleration/energy drift too large   4.49624231570295     
-   10.1701836765284       split increased to            2  itime      825568 
+Momenta zeroed out, time           164999.80
+ acceleration/energy drift too large   8.88203509082887     
+   19.7412938016042       split increased to            2  itime      825356 
   itsplit           1
-Momenta zeroed out, time           165199.80
- acceleration/energy drift too large   2.54534355426177     
-   11.7699619766506       split increased to            2  itime      826599 
+ acceleration/energy drift too large   5.35060183824737     
+   10.7281443868067       split increased to            2  itime      825707 
   itsplit           1
+Momenta zeroed out, time           165199.80
 Momenta zeroed out, time           165399.80
 Momenta zeroed out, time           165599.80
- acceleration/energy drift too large   5.09558294741102     
-   11.6937251340649       split increased to            2  itime      828158 
+Momenta zeroed out, time           165799.80
+ acceleration/energy drift too large   4.13654756925810     
+   10.8317480548972       split increased to            2  itime      829152 
   itsplit           1
- acceleration/energy drift too large   13.5855919468638     
-   99.5151768257304       split increased to            2  itime      828482 
+ acceleration/energy drift too large   4.86386178516075     
+   15.1487094370422       split increased to            2  itime      829344 
   itsplit           1
-Momenta zeroed out, time           165799.80
 Velocities reset to random values, time           165999.80
 Momenta zeroed out, time           165999.80
- acceleration/energy drift too large   4.02486437420995     
-   16.5434857098889       split increased to            2  itime      830551 
-  itsplit           1
 Momenta zeroed out, time           166199.80
- acceleration/energy drift too large   14.2074692351633     
-   76.5329793976170       split increased to            2  itime      831965 
-  itsplit           1
- acceleration/energy drift too large   3.44911743352395     
-   19.4543926335396       split increased to            4  itime      831965 
-  itsplit           2
 Momenta zeroed out, time           166399.80
- acceleration/energy drift too large   7.40701730156076     
-   15.6281979589400       split increased to            2  itime      832178 
+ acceleration/energy drift too large   3.14573579742066     
+   22.2109382566349       split increased to            2  itime      832773 
   itsplit           1
- acceleration/energy drift too large   5.32383598100005     
-   31.1582966321607       split increased to            2  itime      832434 
+ acceleration/energy drift too large   2.97530619934754     
+   11.4557251642198       split increased to            2  itime      832793 
   itsplit           1
 Momenta zeroed out, time           166599.80
- acceleration/energy drift too large   4.35285018439095     
-   23.5151038735893       split increased to            2  itime      833777 
-  itsplit           1
- acceleration/energy drift too large   6.45578230964733     
-   29.2864005225641       split increased to            2  itime      833790 
-  itsplit           1
- acceleration/energy drift too large   3.06354705375766     
-   20.2090534233943       split increased to            2  itime      833846 
-  itsplit           1
 Momenta zeroed out, time           166799.80
- acceleration/energy drift too large   2.32471211422069     
-   14.1422662102037       split increased to            2  itime      834403 
-  itsplit           1
- acceleration/energy drift too large   6.78053770694573     
-   27.6384063749144       split increased to            2  itime      834560 
+ acceleration/energy drift too large   6.51052773510937     
+   22.0784393324344       split increased to            2  itime      834577 
   itsplit           1
 Momenta zeroed out, time           166999.80
- acceleration/energy drift too large   3.52696896724469     
-   10.7595176663580       split increased to            2  itime      835272 
-  itsplit           1
- acceleration/energy drift too large   7.65423375916919     
-   15.9902397922390       split increased to            2  itime      835378 
-  itsplit           1
 Momenta zeroed out, time           167199.80
- acceleration/energy drift too large   4.63771912922912     
-   16.2081815524581       split increased to            2  itime      836216 
+Momenta zeroed out, time           167399.80
+ acceleration/energy drift too large   6.67818874489608     
+   28.1099464960578       split increased to            2  itime      837874 
   itsplit           1
- acceleration/energy drift too large   5.13848110433790     
-   20.9892480467013       split increased to            2  itime      836277 
+Momenta zeroed out, time           167599.80
+ acceleration/energy drift too large   2.12414329747286     
+   13.6220919215775       split increased to            2  itime      838334 
   itsplit           1
- acceleration/energy drift too large   3.63902563107383     
-   11.9865341057313       split increased to            2  itime      836462 
+ acceleration/energy drift too large   8.54778088841859     
+   37.6624492761416       split increased to            2  itime      838626 
   itsplit           1
- acceleration/energy drift too large   4.09421813395315     
-   21.7444379681751       split increased to            2  itime      836767 
+Momenta zeroed out, time           167799.80
+ acceleration/energy drift too large   4.08276246730225     
+   13.0072245291849       split increased to            2  itime      839165 
   itsplit           1
-Momenta zeroed out, time           167399.80
- acceleration/energy drift too large   3.51835160846993     
-   11.0979670378469       split increased to            2  itime      837101 
+ acceleration/energy drift too large   6.18698357191698     
+   13.8410609871320       split increased to            2  itime      839368 
   itsplit           1
-Momenta zeroed out, time           167599.80
-Momenta zeroed out, time           167799.80
- acceleration/energy drift too large   3.35013006567659     
-   21.0264560783884       split increased to            2  itime      839018 
+ acceleration/energy drift too large   5.33231314514498     
+   17.4942584669103       split increased to            2  itime      839557 
   itsplit           1
- acceleration/energy drift too large   3.24348275742336     
-   25.1644207162982       split increased to            2  itime      839127 
+ acceleration/energy drift too large   3.40888640448149     
+   11.3974365104283       split increased to            2  itime      839849 
   itsplit           1
 Velocities reset to random values, time           167999.80
 Momenta zeroed out, time           167999.80
- acceleration/energy drift too large   5.82752110483252     
-   19.1011847636170       split increased to            2  itime      840959 
-  itsplit           1
 Momenta zeroed out, time           168199.80
- acceleration/energy drift too large   9.19836533943087     
-   37.8418377196700       split increased to            2  itime      841190 
-  itsplit           1
 Momenta zeroed out, time           168399.80
- acceleration/energy drift too large   5.69976568642298     
-   19.3305061836343       split increased to            2  itime      842561 
+ acceleration/energy drift too large   3.88194547843860     
+   14.0576955684711       split increased to            2  itime      842519 
+  itsplit           1
+ acceleration/energy drift too large   5.73679075200992     
+   19.5956957175408       split increased to            2  itime      842766 
   itsplit           1
 Momenta zeroed out, time           168599.80
- acceleration/energy drift too large   3.07630347168636     
-   18.2320863404782       split increased to            2  itime      843434 
+ acceleration/energy drift too large   2.15303910392934     
+   15.7102646735620       split increased to            2  itime      843000 
   itsplit           1
-Momenta zeroed out, time           168799.80
-Momenta zeroed out, time           168999.80
- acceleration/energy drift too large   3.63499677053859     
-   17.7025536913500       split increased to            2  itime      845559 
+ acceleration/energy drift too large   3.69698792653530     
+   10.5133135429594       split increased to            2  itime      843148 
+  itsplit           1
+ acceleration/energy drift too large   3.42502399768905     
+   10.4226186022320       split increased to            2  itime      843293 
   itsplit           1
- acceleration/energy drift too large   8.98754942679068     
-   91.7008539844617       split increased to            2  itime      845612 
+ acceleration/energy drift too large   8.29915890728441     
+   33.2709642398163       split increased to            2  itime      843979 
   itsplit           1
- acceleration/energy drift too large   6.72930775697810     
-   15.9369387908922       split increased to            2  itime      845804 
+Momenta zeroed out, time           168799.80
+Momenta zeroed out, time           168999.80
+ acceleration/energy drift too large   4.90234791985923     
+   13.7468881891256       split increased to            2  itime      845574 
   itsplit           1
 Momenta zeroed out, time           169199.80
- acceleration/energy drift too large   6.02313726579817     
-   13.8755601871080       split increased to            2  itime      846586 
+ acceleration/energy drift too large   6.11889103387895     
+   18.6908373707652       split increased to            2  itime      846157 
   itsplit           1
 Momenta zeroed out, time           169399.80
-Momenta zeroed out, time           169599.80
- acceleration/energy drift too large   5.56676453686980     
-   14.5737874485991       split increased to            2  itime      848749 
+ acceleration/energy drift too large   2.22086118468880     
+   22.3920388389731       split increased to            2  itime      847694 
   itsplit           1
- acceleration/energy drift too large   4.15660657742023     
-   10.8606344610547       split increased to            2  itime      848868 
+Momenta zeroed out, time           169599.80
+ acceleration/energy drift too large   2.58191786855888     
+   10.4524078431755       split increased to            2  itime      848209 
   itsplit           1
- acceleration/energy drift too large   2.68955920788492     
-   11.5083679325851       split increased to            2  itime      848919 
+ acceleration/energy drift too large   2.66108114903794     
+   15.0635597548961       split increased to            2  itime      848857 
   itsplit           1
 Momenta zeroed out, time           169799.80
- acceleration/energy drift too large   5.06410714155551     
-   17.9461370565813       split increased to            2  itime      849718 
+ acceleration/energy drift too large   4.18388905793776     
+   22.6319103800568       split increased to            2  itime      849129 
   itsplit           1
 Velocities reset to random values, time           169999.80
 Momenta zeroed out, time           169999.80
 Momenta zeroed out, time           170199.80
 Momenta zeroed out, time           170399.80
+ acceleration/energy drift too large   2.88704634093622     
+   13.8849673428485       split increased to            2  itime      852025 
+  itsplit           1
+ acceleration/energy drift too large   5.13530578097720     
+   11.4415411793876       split increased to            2  itime      852718 
+  itsplit           1
+ acceleration/energy drift too large   3.06116014728944     
+   22.9400582663813       split increased to            2  itime      852997 
+  itsplit           1
 Momenta zeroed out, time           170599.80
 Momenta zeroed out, time           170799.80
- acceleration/energy drift too large   5.15045122946535     
-   14.6221551047740       split increased to            2  itime      854179 
+ acceleration/energy drift too large   7.13832592305158     
+   20.6822603873298       split increased to            2  itime      854690 
   itsplit           1
 Momenta zeroed out, time           170999.80
- acceleration/energy drift too large   5.95833678111333     
-   11.5216124272643       split increased to            2  itime      855472 
-  itsplit           1
- acceleration/energy drift too large   12.4293736687567     
-   77.2307625665902       split increased to            2  itime      855545 
+ acceleration/energy drift too large   5.53521597473837     
+   27.6965959236643       split increased to            2  itime      855045 
   itsplit           1
- acceleration/energy drift too large   3.04678542510973     
-   18.2311149339211       split increased to            4  itime      855545 
-  itsplit           2
- acceleration/energy drift too large   9.20937724751046     
-   37.5745622258074       split increased to            2  itime      855946 
+ acceleration/energy drift too large   5.34778151437977     
+   31.3320514071807       split increased to            2  itime      855229 
   itsplit           1
 Momenta zeroed out, time           171199.80
- acceleration/energy drift too large   9.39969184919044     
-   37.4847663089108       split increased to            2  itime      856232 
-  itsplit           1
- acceleration/energy drift too large   2.65460814836424     
-   10.6043029925736       split increased to            2  itime      856268 
+ acceleration/energy drift too large   6.15501765148578     
+   24.3685551574842       split increased to            2  itime      856050 
   itsplit           1
- acceleration/energy drift too large   6.35041475595143     
-   10.1513969338007       split increased to            2  itime      856312 
+ acceleration/energy drift too large   5.67050489007257     
+   16.0819615010147       split increased to            2  itime      856758 
   itsplit           1
 Momenta zeroed out, time           171399.80
- acceleration/energy drift too large   2.64487428392959     
-   14.3971001026303       split increased to            2  itime      857154 
+ acceleration/energy drift too large   5.55517162904721     
+   12.1147761405289       split increased to            2  itime      857471 
   itsplit           1
 Momenta zeroed out, time           171599.80
- acceleration/energy drift too large   8.44069034551397     
-   38.2249248383978       split increased to            2  itime      858025 
+ acceleration/energy drift too large   3.59297355153216     
+   24.7343781886855       split increased to            2  itime      858414 
   itsplit           1
- acceleration/energy drift too large   11.4358593760997     
-   61.2966074318619       split increased to            2  itime      858302 
-  itsplit           1
- acceleration/energy drift too large   2.36337050841155     
-   10.6826976552975       split increased to            4  itime      858302 
+ acceleration/energy drift too large   5.15774179595851     
+   13.5955720382178       split increased to            2  itime      858812 
   itsplit           1
 Momenta zeroed out, time           171799.80
- acceleration/energy drift too large   4.04004167817895     
-   11.3598525459277       split increased to            2  itime      859260 
-  itsplit           1
- acceleration/energy drift too large   3.18165576002652     
-   10.0421037291019       split increased to            2  itime      859484 
-  itsplit           1
- acceleration/energy drift too large   7.35640565782578     
-   22.5452943553418       split increased to            2  itime      859849 
+ acceleration/energy drift too large   7.79263032287622     
+   27.9373311024368       split increased to            2  itime      859997 
   itsplit           1
 Velocities reset to random values, time           171999.80
 Momenta zeroed out, time           171999.80
- acceleration/energy drift too large   3.16828210634020     
-   30.9284421382974       split increased to            2  itime      860069 
+ acceleration/energy drift too large   5.01532454828765     
+   13.1836890880541       split increased to            2  itime      860659 
   itsplit           1
 Momenta zeroed out, time           172199.80
- acceleration/energy drift too large   5.55858727578166     
-   19.0546404126302       split increased to            2  itime      861142 
+ acceleration/energy drift too large   5.49363626787090     
+   35.3405952102838       split increased to            2  itime      861867 
   itsplit           1
 Momenta zeroed out, time           172399.80
-Momenta zeroed out, time           172599.80
- acceleration/energy drift too large   1.66942489323682     
-   12.9961508072649       split increased to            2  itime      863746 
+ acceleration/energy drift too large   10.5428403550498     
+   47.8444456099650       split increased to            2  itime      862037 
   itsplit           1
-Momenta zeroed out, time           172799.80
- acceleration/energy drift too large   7.65814874216997     
-   30.1753002435326       split increased to            2  itime      864041 
+ acceleration/energy drift too large   2.42027431620083     
+   14.0258985629945       split increased to            2  itime      862245 
   itsplit           1
- acceleration/energy drift too large   4.60764017196515     
-   14.1678461793284       split increased to            2  itime      864146 
+ acceleration/energy drift too large   2.74016782216640     
+   11.1333837389631       split increased to            2  itime      862246 
   itsplit           1
- acceleration/energy drift too large   4.38601731560934     
-   12.6470526851528       split increased to            2  itime      864464 
+ acceleration/energy drift too large   7.08908601921000     
+   18.0659115247881       split increased to            2  itime      862421 
   itsplit           1
-Momenta zeroed out, time           172999.80
- acceleration/energy drift too large   4.00243093231855     
-   10.2453728402054       split increased to            2  itime      865269 
+ acceleration/energy drift too large   2.83341877892111     
+   11.6054608598504       split increased to            2  itime      862422 
+  itsplit           1
+Momenta zeroed out, time           172599.80
+ acceleration/energy drift too large   4.05971505971609     
+   22.6492085727722       split increased to            2  itime      863186 
   itsplit           1
- acceleration/energy drift too large   2.07932721970491     
-   17.2748264978062       split increased to            2  itime      865274 
+ acceleration/energy drift too large   6.29878614905785     
+   15.5349290587773       split increased to            2  itime      863270 
   itsplit           1
- acceleration/energy drift too large   6.49358925501233     
-   31.9590208548096       split increased to            2  itime      865595 
+ acceleration/energy drift too large   2.28467300483058     
+   11.7654905354022       split increased to            2  itime      863732 
   itsplit           1
+ acceleration/energy drift too large   3.21451608998607     
+   21.5563340201666       split increased to            2  itime      863795 
+  itsplit           1
+Momenta zeroed out, time           172799.80
+Momenta zeroed out, time           172999.80
 Momenta zeroed out, time           173199.80
-Momenta zeroed out, time           173399.80
- acceleration/energy drift too large   4.39445942604918     
-   20.0358795200373       split increased to            2  itime      867327 
+ acceleration/energy drift too large   2.38298104585925     
+   13.4853034724691       split increased to            2  itime      866146 
   itsplit           1
- acceleration/energy drift too large   1.80187339233148     
-   10.3851515675911       split increased to            2  itime      867399 
+Momenta zeroed out, time           173399.80
+ acceleration/energy drift too large   2.99715317298997     
+   18.9508334268015       split increased to            2  itime      867479 
   itsplit           1
- acceleration/energy drift too large   5.14345330500689     
-   13.5516025499447       split increased to            2  itime      867961 
+ acceleration/energy drift too large   2.87080210309589     
+   20.4684166060150       split increased to            2  itime      867552 
   itsplit           1
 Momenta zeroed out, time           173599.80
- acceleration/energy drift too large   4.83266983128584     
-   14.3541767489340       split increased to            2  itime      868857 
+ acceleration/energy drift too large   4.85022625153865     
+   11.2803742023521       split increased to            2  itime      868137 
   itsplit           1
 Momenta zeroed out, time           173799.80
- acceleration/energy drift too large   3.77178045775601     
-   10.6092268301607       split increased to            2  itime      869436 
+ acceleration/energy drift too large   5.61226298375713     
+   18.4631557968815       split increased to            2  itime      869135 
+  itsplit           1
+ acceleration/energy drift too large   3.11214618847817     
+   18.5481388462192       split increased to            2  itime      869791 
   itsplit           1
- acceleration/energy drift too large   5.64753814493243     
-   10.2058196563759       split increased to            2  itime      869446 
+ acceleration/energy drift too large   3.82066250145498     
+   20.4862534987289       split increased to            2  itime      869876 
   itsplit           1
 Velocities reset to random values, time           173999.80
 Momenta zeroed out, time           173999.80
- acceleration/energy drift too large   2.46402633342427     
-   13.2307211811922       split increased to            2  itime      870594 
+ acceleration/energy drift too large   4.37771380480012     
+   11.5033328611370       split increased to            2  itime      870048 
+  itsplit           1
+ acceleration/energy drift too large   4.78699492277583     
+   13.6311451595185       split increased to            2  itime      870118 
+  itsplit           1
+ acceleration/energy drift too large   1.59894574654956     
+   11.2239361199088       split increased to            2  itime      870151 
+  itsplit           1
+ acceleration/energy drift too large   4.22163201522818     
+   12.2432496939850       split increased to            2  itime      870170 
+  itsplit           1
+ acceleration/energy drift too large   4.99557517547250     
+   12.7876857990099       split increased to            2  itime      870406 
   itsplit           1
 Momenta zeroed out, time           174199.80
+ acceleration/energy drift too large   6.05764517916275     
+   15.1741837397265       split increased to            2  itime      871155 
+  itsplit           1
 Momenta zeroed out, time           174399.80
- acceleration/energy drift too large   4.18643819461466     
-   13.1464497870494       split increased to            2  itime      872423 
+ acceleration/energy drift too large   3.30635160370429     
+   21.7251840336065       split increased to            2  itime      872254 
   itsplit           1
- acceleration/energy drift too large   3.86341509078372     
-   11.3049235862637       split increased to            2  itime      872764 
+ acceleration/energy drift too large   4.98704399384588     
+   16.3191628803871       split increased to            2  itime      872298 
   itsplit           1
 Momenta zeroed out, time           174599.80
- acceleration/energy drift too large   3.52053412527830     
-   12.9810692138236       split increased to            2  itime      873289 
+ acceleration/energy drift too large   2.98586732548809     
+   17.8419440199825       split increased to            2  itime      873360 
   itsplit           1
 Momenta zeroed out, time           174799.80
+ acceleration/energy drift too large   5.99527348921412     
+   11.8308933208591       split increased to            2  itime      874090 
+  itsplit           1
+ acceleration/energy drift too large   5.89342820629213     
+   14.2030750788271       split increased to            2  itime      874933 
+  itsplit           1
 Momenta zeroed out, time           174999.80
- acceleration/energy drift too large   5.15806610265133     
-   16.3797458050576       split increased to            2  itime      875311 
+ acceleration/energy drift too large   4.29927877164876     
+   13.8448021817792       split increased to            2  itime      875081 
   itsplit           1
-Momenta zeroed out, time           175199.80
- acceleration/energy drift too large   2.91087949750937     
-   13.7283327721808       split increased to            2  itime      876568 
+ acceleration/energy drift too large   3.25668096652583     
+   10.2006590873060       split increased to            2  itime      875082 
   itsplit           1
- acceleration/energy drift too large   7.19942800465898     
-   17.1139151374567       split increased to            2  itime      876919 
+Momenta zeroed out, time           175199.80
+ acceleration/energy drift too large   4.13618580872945     
+   12.4618673332309       split increased to            2  itime      876419 
   itsplit           1
 Momenta zeroed out, time           175399.80
- acceleration/energy drift too large   6.79955116900197     
-   21.1323927987742       split increased to            2  itime      877090 
+ acceleration/energy drift too large   4.07051707361646     
+   12.0196621906692       split increased to            2  itime      877369 
   itsplit           1
 Momenta zeroed out, time           175599.80
- acceleration/energy drift too large   3.20674740941108     
-   16.7228254929915       split increased to            2  itime      878267 
+ acceleration/energy drift too large   5.54174817409731     
+   13.7638321753960       split increased to            2  itime      878264 
   itsplit           1
- acceleration/energy drift too large   6.30668070909948     
-   17.5045507278111       split increased to            2  itime      878352 
+ acceleration/energy drift too large   4.09166529774138     
+   11.7609473014816       split increased to            2  itime      878735 
   itsplit           1
- acceleration/energy drift too large   8.86384893487273     
-   10.7064657215996       split increased to            2  itime      878530 
+Momenta zeroed out, time           175799.80
+ acceleration/energy drift too large   4.83053554131404     
+   22.3089275968186       split increased to            2  itime      879177 
   itsplit           1
- acceleration/energy driftMomenta zeroed out, time           175199.80
- acceleration/energy drift too large   4.30497813516765     
-   20.9018060848091       split increased to            2  itime      876721 
+Velocities reset to random values, time           175999.80
+Momenta zeroed out, time           175999.80
+ acceleration/energy drift too large   2.48931188173967     
+   10.2137537584511       split increased to            2  itime      880242 
   itsplit           1
- acceleration/energy drift too large   2.21534141747528     
-   10.2546456571149       split increased to            2  itime      876897 
+ acceleration/energy drift too large   3.97309459935161     
+   16.5753426383085       split increased to            2  itime      880443 
   itsplit           1
-Momenta zeroed out, time           175399.80
- acceleration/energy drift too larMomenta zeroed out, time           176199.80
- acceleration/energy drift too large   3.03417345191148     
-   15.8868350811931       split increased to            2  itime      881021 
+ acceleration/energy drift too large   6.74403868062232     
+   26.8637363562633       split increased to            2  itime      880552 
   itsplit           1
-Momenta zeroed out, time           176399.80
- acceleration/energy drift too large   2.94396015679571     
-   22.2172268128078       split increased to            2  itime      882010 
+ acceleration/energy drift too large   14.1174448610936     
+   114.609494045701       split increased to            2  itime      880644 
   itsplit           1
- acceleration/energy drift too large   16.3120231603952     
-   103.612010968783       split increased to            2  itime      882275 
+ acceleration/energy drift too large   1.85213089729441     
+   10.9153780306000       split increased to            2  itime      880645 
   itsplit           1
- acceleration/energy drift too large   11.4916688956264     
-   74.9816836306887       split increased to            2  itime      882364 
+Momenta zeroed out, time           176199.80
+ acceleration/energy drift too large   7.08476196883402     
+   44.6113117061732       split increased to            2  itime      881091 
   itsplit           1
- acceleration/energy drift too large   2.67147582653159     
-   17.2550256035079       split increased to            2  itime   acceleration/energy drift too large   6.17576816208338     
-   17.0415212804474       split increased to            2  itime      879928 
+Momenta zeroed out, time           176399.80
+ acceleration/energy drift too large   7.94140662013022     
+   28.9179835071465       split increased to            2  itime      882258 
   itsplit           1
-Velocities reset to random values, time           175999.80
-Momenta zeroed out,Momenta zeroed out, time           176799.80
- acceleration/energy drift too large   4.85868985419691     
-   17.5820875785042       split increased to            2  itime      884422 
+Momenta zeroed out, time           176599.80
+ acceleration/energy drift too large   12.5950261809572     
+   89.0777577893959       split increased to            2  itime      883003 
   itsplit           1
-Momenta zeroed out, time           176999.80
- acceleration/energy drift too large   3.53597761218051     
-   11.7266557907718       split increased to            2  itime      885076 
+ acceleration/energy drift too large   3.49850158317370     
+   14.9434584295265       split increased to            4  itime      883003 
+  itsplit           1
+ acceleration/energy drift too large   6.41018467203001     
+   53.0514148931527       split increased to            2  itime      883496 
+  itsplit           1
+ acceleration/energy drift too large   1.59838656995128     
+   13.7225694646466       split increased to            4  itime      883496 
+  itsplit           2
+ acceleration/energy drift too large   6.81844025885934     
+   43.0871355902067       split increased to            2  itime      883621 
+  itsplit           1
+ acceleration/energy drift too large   5.07414489152429     
+   17.1374901238742       split increased to            2  itime      883964 
+  itsplit           1
+Momenta zeroed out, time           176799.80
+ acceleration/energy drift too large   3.63034113190010     
+   10.0313519036138       split increased to            2  itime      884496 
   itsplit           1
- acceleration/energy drift too large   5.82083500457380     
-   16.5640708801154       split increased to            2  itime      885574 
+ acceleration/energy drift too large   8.40430363489582     
+   31.7857808192299       split increased to            2  itime      884574 
   itsplit           1
+ acceleration/energy drift too large   13.6335942114348     
+   70.2602445322361       split increased to            2  itime      884577 
+  itsplit           1
+ acceleration/energy drift too large   7.05798617679504     
+   11.0312473554703       split increased to            2  itime      884578 
+  itsplit           1
+Momenta zeroed out, time           176999.80
 Momenta zeroed out, time           177199.80
- acceleration/energy drift too large   3.78438890125537     
-   11.0766977842230       split increased to            2  itime      886386 
+ acceleration/energy drift too large   4.31236778323474     
+   17.4211506412922       split increased to            2  itime      886612 
   itsplit           1
- acceleration/energy drift too large   6.21237208778679     
-   16.7971744863421       split increased to            2  itime      886824 
+ acceleration/energy drift too large   3.96986577727362     
+   10.9454184001734       split increased to            2  itime      886621 
+  itsplit           1
+ acceleration/energy drift too large   6.56352084230184     
+   14.2258550241442       split increased to            2  itime      886905 
   itsplit           1
 Momenta zeroed out, time           177399.80
- acceleration/energy drift too large   7.09195344440510     
-   25.8703860071309       split increased to            2  itime      887504 
+ acceleration/energy drift too large   5.18797890725184     
+   10.8953311584222       split increased to            2  itime      887028 
   itsplit           1
-Momenta zeroed out, time           177599.80
- acceleration/energy drift too large   3.48051226955617     
-   12.1362044899198       split increased to            2  itime      888082 
+ acceleration/energy drift too large   4.00314608541107     
+   13.5069463477758       split increased to            2  itime      887712 
   itsplit           1
-Momenta zeroed out, time           177799.80
- acceleration/energy drift too large   4.55901901738862     
-   15.6538172864912       split increased to            2  itime      889180 
+ acceleration/energy drift too large   8.31759120850586     
+   15.1169331439822       split increased to            2  itime      887728 
   itsplit           1
- acceleration/energy drift too large   12.1154154760949     
-   73.9393861978317       split increased to            2  itime      889768 
+Momenta zeroed out, time           177599.80
+ acceleration/energy drift too large   6.12592866625887     
+   11.5761228936734       split increased to            2  itime      888075 
+  itsplit           1
+ acceleration/energy drift too large   5.33823825753270     
+   16.7476235219740       split increased to            2  itime      888107 
   itsplit           1
- acceleration/energy drift too large   2.58439423666626     
-   12.2985207176875       split increased to            2  itime      889769 
+Momenta zeroed out, time           177799.80
+ acceleration/energy drift too large   5.64405054060073     
+   35.9450717482739       split increased to            2  itime      889896 
   itsplit           1
 Velocities reset to random values, time           177999.80
 Momenta zeroed out, time           177999.80
- acceleration/energy drift too large   3.11146872006352     
-   12.8077128169902       split increased to            2  itime      890443 
+ acceleration/energy drift too large   5.12870077963709     
+   11.7132952257283       split increased to            2  itime      890451 
   itsplit           1
 Momenta zeroed out, time           178199.80
- acceleration/energy drift too large   4.56253660740924     
-   12.8249269432594       split increased to            2  itime      891403 
+Momenta zeroed out, time           178399.80
+ acceleration/energy drift too large   6.50010999480308     
+   15.1518718460796       split increased to            2  itime      892141 
   itsplit           1
- acceleration/energy drift too large   5.55935854295315     
-   30.8099318352825       split increased to            2  itime      891543 
+ acceleration/energy drift too large   5.07756092627771     
+   14.7301134186412       split increased to            2  itime      892212 
   itsplit           1
- acceleration/energy drift too large   3.85021506013855     
-   10.8005158329751       split increased to            2  itime      891918 
+ acceleration/energy drift too large   4.59245874451571     
+   12.1231638022434       split increased to            2  itime      892791 
   itsplit           1
- acceleration/energy drift too large   2.37019893800915     
-   12.0632913681187       split increased to            2  itime      891980 
+Momenta zeroed out, time           178599.80
+ acceleration/energy drift too large   7.16632009657393     
+   22.5476750740864       split increased to            2  itime      893371 
   itsplit           1
-Momenta zerVelocities reset to random values, acceleration/energy drift too large   3.57880223235090     
-   17.4743Momenta zeroed out, time           178199.80
-Momenta zeroed out, time           178399.80
- acceleration/energy drift too large   2.11854178746755     
-   16.4146625389658       split increased to            2  itime      892487 
+ acceleration/energy drift too large   5.97893007052385     
+   27.1857051796643       split increased to            2  itime      893681 
+  itsplit           1
+ acceleration/energy drift too large   5.50727190829202     
+   21.8260305468069       split increased to            2  itime      893685 
+  itsplit           1
+ acceleration/energy drift too large   3.80428538736582     
+   10.2626914243478       split increased to            2  itime      893690 
+  itsplit           1
+ acceleration/energy drift too large   3.21470552785646     
+   10.0180673584823       split increased to            2  itime      893800 
+  itsplit           1
+ acceleration/energy drift too large   3.54093933694848     
+   10.3333539413736       split increased to            2  itime      893963 
+  itsplit           1
+ acceleration/energy drift too large   2.75099532107619     
+   10.2647337483013       split increased to            2  itime      893985 
   itsplit           1
-Momenta zeroed out, time           178599.80
 Momenta zeroed out, time           178799.80
- acceleration/energy drift too large   16.8069654245473     
-   121.430110693684       split increased to            2  itime      894365 
+ acceleration/energy drift too large   3.21523162546224     
+   10.3403200689535       split increased to            2  itime      894031 
+  itsplit           1
+ acceleration/energy drift too large   6.54675309926723     
+   12.4275923730994       split increased to            2  itime      894069 
+  itsplit           1
+ acceleration/energy drift too large   7.63281161480691     
+   25.2805692587638       split increased to            2  itime      894148 
   itsplit           1
- acceleration/energy drift too large   2.76183738415710     
-   14.6381661587121       split increased to            4  itime      894365 
+ acceleration/energy drift too large   4.32615393959137     
+   11.8236626053488       split increased to            2  itime      894149 
+  itsplit           1
+ acceleration/energy drift too large   2.86257861436231     
+   14.1003083852052       split increased to            2  itime      894473 
+  itsplit           1
+ acceleration/energy drift too large   14.0432057898025     
+   114.237410226666       split increased to            2  itime      894616 
+  itsplit           1
+ acceleration/energy drift too large   3.42667889907222     
+   25.8894027386910       split increased to            4  itime      894616 
+  itsplit           2
+ acceleration/energy drift too large   4.79266894544539     
+   16.1205508010371       split increased to            2  itime      894765 
   itsplit           1
 Momenta zeroed out, time           178999.80
-Momenta zeroed out, time           179199.80
- acceleration/energy drift too large   5.74159524269625     
-   14.9157270248962       split increased to            2  itime      896007 
+ acceleration/energy drift too large   5.33949262901591     
+   15.1119766183456       split increased to            2  itime      895502 
+  itsplit           1
+ acceleration/energy drift too large   8.29290254959915     
+   18.8045259161403       split increased to            2  itime      895503 
+  itsplit           1
+ acceleration/energy drift too large   1.74281255720928     
+   10.0648480119019       split increased to            2  itime      895513 
+  itsplit           1
+ acceleration/energy drift too large   5.89265920093671     
+   12.0353738563037       split increased to            2  itime      895518 
   itsplit           1
- acceleration/energy drift too large   5.34709842831885     
-   22.0260738020878       split increased to            2  itime      896569 
+ acceleration/energy drift too large   3.91090480414682     
+   10.3043057905720       split increased to            2  itime      895625 
   itsplit           1
- acceleration/energy drift too large   3.23412867138285     
-   11.3968655190057       split increased to            2  itime      896837 
+ acceleration/energy drift too large   6.75351316642391     
+   14.8707947102271       split increased to            2  itime      895893 
   itsplit           1
- acceleration/energy drift too large   3.69326179261164     
-   14.2128101756062       split increased to            2  itime      896978 
+Momenta zeroed out, time           179199.80
+ acceleration/energy drift too large   5.69453149235586     
+   12.4150255599555       split increased to            2  itime      896104 
+  itsplit           1
+ acceleration/energy drift too large   4.73631108874360     
+   13.8662281132025       split increased to            2  itime      896107 
   itsplit           1
 Momenta zeroed out, time           179399.80
- acceleration/energy drift too large   6.14789063450418     
-   15.4286909980073       split increased to            2  itime      897612 
+ acceleration/energy drift too large   9.29262114141552     
+   27.5157735744187       split increased to            2  itime      897256 
   itsplit           1
- acceleration/energy drift too large   5.18392466945596     
-   30.4658494063708       split increased to            2  itime      897919 
+ acceleration/energy drift too large   5.38013001860575     
+   13.2057571365433       split increased to            2  itime      897785 
   itsplit           1
- acceleration/energy drift too larMomenta zeroed out, time           180199.80
-Momenta zeroed out, time           180399.80
-Momenta zeroed out, time           180599.80
- acceleration/energy drift too large   3.39057281528113     
-   13.7272071018842       split increased to            2  itime      903320 
+ acceleration/energy drift too large   3.37088472168642     
+   12.7899282395860       split increased to            2  itime      897978 
+  itsplit           1
+Momenta zeroed out, time           179599.80
+ acceleration/energy drift too large   11.3333569751379     
+   64.5607094797270       split increased to            2  itime      898250 
+  itsplit           1
+ acceleration/energy drift too large   2.08808258321059     
+   11.7790934359373       split increased to            2  itime      898251 
+  itsplit           1
+ acceleration/energy drift too large   2.14142161396082     
+   11.1135217972576       split increased to            2  itime      898604 
+  itsplit           1
+ acceleration/energy drift too large   6.48592282241631     
+   21.9747935203751       split increased to            2  itime      898853 
+  itsplit           1
+ acceleration/energy drift too large   4.14443637498995     
+   10.1679870937676       split increased to            2  itime      898869 
+  itsplit           1
+ acceleration/energy drift too large   8.38866624356382     
+   32.0451275544497       split increased to            2  itime      898999 
+  itsplit           1
+Momenta zeroed out, time           179799.80
+ acceleration/energy drift too large   7.40316746683850     
+   35.6622493253621       split increased to            2  itime      899000 
   itsplit           1
- acceleration/energy drift too large   5.63931430239973     
-   11.8363895790302       split increased to            2  itime      903362 
+ acceleration/energy drift too large   7.51827689687511     
+   15.1675818176747       split increased to            2  itime      899633 
   itsplit           1
- acceleration/energy drift too large   2.65167667749929     
-   10.0084764926209       split increased to            2  itime      903625 
+Velocities reset to random values, time           179999.80
+Momenta zeroed out, time           179999.80
+ acceleration/energy drift too large   4.68309822408807     
+   15.2896398390212       split increased to            2  itime      900491 
   itsplit           1
- acceleration/energy drift too large   6.15411357008280     
-   10.9573158132041       split increased to            2  itime      903891 
+ acceleration/energy drift too large   6.91910269519009     
+   17.6742224502217       split increased to            2  itime      900961 
   itsplit           1
+Momenta zeroed out, time           180199.80
+ acceleration/energy drift too large   8.58996595626617     
+   19.2952671495615       split increased to            2  itime      901034 
+  itsplit           1
+ acceleration/energy drift too large   5.05205668029903     
+   32.6468254167669       split increased to            2  itime      901891 
+  itsplit           1
+Momenta zeroed out, time           180399.80
+ acceleration/energy drift too large   4.91934725170229     
+   14.4713883907477       split increased to            2  itime      902419 
+  itsplit           1
+ acceleration/energy drift too large   7.56007225542908     
+   16.5555309889429       split increased to            2  itime      902953 
+  itsplit           1
+Momenta zeroed out, time           180599.80
 Momenta zeroed out, time           180799.80
 Momenta zeroed out, time           180999.80
- acceleration/energy drift too large   5.11333220312909     
-   17.0532646376163       split increased to            2  itime      905122 
+ acceleration/energy drift too large   9.77350840371130     
+   28.2241169133263       split increased to            2  itime      905387 
   itsplit           1
- acceleration/energy drift too large   4.39275563066572     
-   10.6875074533362       split increased to            2  itime      905242 
+ acceleration/energy drift too large   6.32360594404711     
+   10.9512070628024       split increased to            2  itime      905652 
   itsplit           1
- acceleration/energy drift acceleration/energy drift too large   4.49863812213345     
-   18.6920773842489       split increased to            2  itime      9023Momenta zeroed out, time           181199.80
- acceleration/energy drift too large   4.91795574146876     
-   12.3475136942844       split increased to            2  itime      906212 
+ acceleration/energy drift too large   4.93981514987799     
+   21.8148581105015       split increased to            2  itime      905724 
   itsplit           1
- acceleration/energy drift too large   6.35375210362043     
-   38.8308107521546       split increased to            2  itime      906732 
+Momenta zeroed out, time           181199.80
+ acceleration/energy drift too large   11.1538365544360     
+   54.8352075744750       split increased to            2  itime      906048 
   itsplit           1
-Momenta zeroed out, time           181399.80
-Momenta zeroed out, time           181599.80
- acceleration/energy drift too large   3.56180106467229     
-   13.5308148183800       split increased to            2  itime      908083 
-  itsplit           1
- acceleration/energy drift too large   2.11096098282431     
-   19.2323245516061       split increased to            2  itime      908440 
+ acceleration/energy drift too large   5.23048189889853     
+   11.3560487025652       split increased to            2  itime      906241 
   itsplit           1
- acceleration/energy drift too large   7.23355092232857     
-   31.8630003435317       split increased to            2  itime      908664 
+ acceleration/energy drift too large   7.21056250661693     
+   23.9863473763265       split increased to            2  itime      906748 
   itsplit           1
- acceleration/energy drift too large   6.15983707481485     
-   13.7956605723371       split increased to            2  itime      908666 
+Momenta zeroed out, time           181399.80
+Momenta zeroed out, time           181599.80
+ acceleration/energy drift too large   4.86061681406409     
+   10.2291972495015       split increased to            2  itime      908321 
   itsplit           1
 Momenta zeroed out, time           181799.80
- acceleration/energy drift too large   4.61781363420443     
-   13.7584000264627       split increased to            2  itime      909609 
-  itsplit           1
 Velocities reset to random values, time           181999.80
 Momenta zeroed out, time           181999.80
- acceleration/energy drift too large   5.91797781257098     
-   16.0317233764981       split increased to            2  itime      910022 
-  itsplit           1
- acceleration/energy drift too large   9.10038691799343     
-   34.5129090097628       split increased to            2  itime      910651 
+ acceleration/energy drift too large   7.21080682785746     
+   16.9970946750892       split increased to            2  itime      910011 
   itsplit           1
 Momenta zeroed out, time           182199.80
+ acceleration/energy drift too large   5.82586139485489     
+   13.3003906453474       split increased to            2  itime      911145 
+  itsplit           1
+ acceleration/energy drift too large   8.86775740374691     
+   21.3550545428383       split increased to            2  itime      911662 
+  itsplit           1
+ acceleration/energy drift too large   6.77039418061625     
+   11.1922787001152       split increased to            2  itime      911754 
+  itsplit           1
 Momenta zeroed out, time           182399.80
+ acceleration/energy drift too large   3.99047246419423     
+   10.6556921026981       split increased to            2  itime      912178 
+  itsplit           1
 Momenta zeroed out, time           182599.80
+ acceleration/energy drift too large   14.5456173628502     
+   80.2384454858816       split increased to            2  itime      913061 
+  itsplit           1
+ acceleration/energy drift too large   5.46972496766721     
+   32.0599214759113       split increased to            2  itime      913169 
+  itsplit           1
+ acceleration/energy drift too large   15.8414602837764     
+   101.203971755229       split increased to            2  itime      913906 
+  itsplit           1
+ acceleration/energy drift too large   3.14229240394827     
+   18.8610146929720       split increased to            4  itime      913906 
+  itsplit           2
 Momenta zeroed out, time           182799.80
- acceleration/energy drift too large   7.14598268370234     
-   14.9207253029102       split increased to            2  itime      914591 
+ acceleration/energy drift too large   3.46130382211586     
+   13.4096972382471       split increased to            2  itime      914158 
+  itsplit           1
+ acceleration/energy drift too large   6.53970605076547     
+   46.8602600049106       split increased to            2  itime      914242 
+  itsplit           1
+ acceleration/energy drift too large   4.51483894939798     
+   20.8099520833981       split increased to            2  itime      914467 
+  itsplit           1
+ acceleration/energy drift too large   4.27728231162458     
+   24.8146466544456       split increased to            2  itime      914577 
+  itsplit           1
+ acceleration/energy drift too large   4.57704172947596     
+   24.7393676283739       split increased to            2  itime      914943 
   itsplit           1
 Momenta zeroed out, time           182999.80
- acceleration/energy drift too large   4.85329703663143     
-   13.2415441097729       split increased to            2  itime      915123 
+ acceleration/energy drift too large   4.51920065827658     
+   24.5469033331043       split increased to            2  itime      915171 
+  itsplit           1
+ acceleration/energy drift too large   4.38116428026558     
+   12.7606937933486       split increased to            2  itime      915691 
   itsplit           1
 Momenta zeroed out, time           183199.80
- acceleration/energy drift too large   4.48607690932218     
-   20.5975745706544       split increased to            2  itime      916230 
+ acceleration/energy drift too large   4.18747283762356     
+   29.0499489121516       split increased to            2  itime      916732 
   itsplit           1
- acceleration/energy drift too large   6.59416294009342     
-   25.3265852420880       split increased to            2  itime      916612 
+ acceleration/energy drift too large   5.16032566545906     
+   36.6681873716332       split increased to            2  itime      916872 
   itsplit           1
 Momenta zeroed out, time           183399.80
- acceleration/energy drift too large   3.17792136305499     
-   18.8985466771821       split increased to            2  itime      917920 
+ acceleration/energy drift too large   8.06756939758705     
+   30.5375999512506       split increased to            2  itime      917935 
+  itsplit           1
+ acceleration/energy drift too large   6.39436658725855     
+   21.9561619123585       split increased to            2  itime      917990 
   itsplit           1
 Momenta zeroed out, time           183599.80
+ acceleration/energy drift too large   11.8045286224605     
+   77.8536473666153       split increased to            2  itime      918014 
+  itsplit           1
 Momenta zeroed out, time           183799.80
 Velocities reset to random values, time           183999.80
 Momenta zeroed out, time           183999.80
+ acceleration/energy drift too large   4.65769837708146     
+   18.9134682339005       split increased to            2  itime      920499 
+  itsplit           1
 Momenta zeroed out, time           184199.80
 Momenta zeroed out, time           184399.80
- acceleration/energy drift too large   5.30041852486332     
-   12.5389584925925       split increased to            2  itime      922014 
+ acceleration/energy drift too large   3.33565400071992     
+   13.7556259959684       split increased to            2  itime      922237 
   itsplit           1
- acceleration/energy drift too large   5.62641393358197     
-   22.2726722773703       split increased to            2  itime      922799 
+ acceleration/energy drift too large   3.46173458429043     
+   16.1529611162998       split increased to            2  itime      922722 
   itsplit           1
 Momenta zeroed out, time           184599.80
- acceleration/energy drift too large   2.90442290095512     
-   20.1262880562867       split increased to            2  itime      923298 
+ acceleration/energy drift too large   4.48700244995745     
+   20.5455160450480       split increased to            2  itime      923172 
   itsplit           1
-Momenta zeroed out, time           184799.80
- acceleration/energy drift too large   6.27737089321934     
-   41.7576615044305       split increased to            2  itime      924722 
+ acceleration/energy drift too large   4.33241228637649     
+   21.8050767497258       split increased to            2  itime      923192 
   itsplit           1
-Momenta zeroed out, time           184999.80
- acceleration/energy drift too large   3.81643054606927     
-   12.2224628217662       split increased to            2  itime      925001 
+ acceleration/energy drift too large   3.24648669674509     
+   13.2876167201449       split increased to            2  itime      923701 
   itsplit           1
+Momenta zeroed out, time           184799.80
+Momenta zeroed out, time           184999.80
 Momenta zeroed out, time           185199.80
- acceleration/energy drift too large   3.54963983480839     
-   11.5244826582099       split increased to            2  itime      926929 
+ acceleration/energy drift too large   6.51018705278320     
+   13.6789894263960       split increased to            2  itime      926915 
   itsplit           1
 Momenta zeroed out, time           185399.80
- acceleration/energy drift too large   3.78760284745418     
-   25.1296508083012       split increased to            2  itime      927577 
+ acceleration/energy drift too large   4.48710359835823     
+   11.1925949788021       split increased to            2  itime      927359 
   itsplit           1
- acceleration/energy drift too large   3.91427190279110     
-   18.6030044271075       split increased to            2  itime      927627 
+ acceleration/energy drift too large   7.62018745983556     
+   39.4693704178403       split increased to            2  itime      927416 
   itsplit           1
- acceleration/energy drift too large   3.83058895467034     
-   15.2782258261461       split increased to            2  itime      927639 
+Momenta zeroed out, time           185599.80
+ acceleration/energy drift too large   3.14846194548166     
+   17.4155779362161       split increased to            2  itime      928448 
   itsplit           1
- acceleration/energy drift too large   5.69741404268413     
-   12.8900577750344       split increased to            2  itime      927915 
+ acceleration/energy drift too large   4.13262886068842     
+   16.0800625350598       split increased to            2  itime      928588 
   itsplit           1
-Momenta zeroed out, time           185599.80
- acceleration/energy drift too large   3.92372292190802     
-   14.7096426991754       split increased to            2  itime      928705 
+ acceleration/energy drift too large   1.31558264667093     
+   10.8795841338957       split increased to            2  itime      928664 
   itsplit           1
 Momenta zeroed out, time           185799.80
- acceleration/energy drift too large   6.42310506128115     
-   15.3216625387602       split increased to            2  itime      929351 
+ acceleration/energy drift too large   4.52651820631932     
+   11.6529727822590       split increased to            2  itime      929044 
+  itsplit           1
+ acceleration/energy drift too large   4.24409857167096     
+   16.1604839347570       split increased to            2  itime      929361 
+  itsplit           1
+ acceleration/energy drift too large   1.78983700313841     
+   10.6121178824554       split increased to            2  itime      929435 
+  itsplit           1
+ acceleration/energy drift too large   5.51987433702670     
+   11.3578606062492       split increased to            2  itime      929443 
+  itsplit           1
+ acceleration/energy drift too large   7.07959106167358     
+   36.3307914189890       split increased to            2  itime      929889 
+  itsplit           1
+ acceleration/energy drift too large   2.02952356916454     
+   11.7543908332807       split increased to            2  itime      929890 
   itsplit           1
 Velocities reset to random values, time           185999.80
 Momenta zeroed out, time           185999.80
- acceleration/energy drift too large   3.29808799620407     
-   16.4188112476658       split increased to            2  itime      930685 
-  itsplit           1
 Momenta zeroed out, time           186199.80
- acceleration/energy drift too large   3.64287955717962     
-   17.8512705413542       split increased to            2  itime      931457 
+ acceleration/energy drift too large   2.58206940520627     
+   18.9702489858940       split increased to            2  itime      931403 
   itsplit           1
 Momenta zeroed out, time           186399.80
 Momenta zeroed out, time           186599.80
- acceleration/energy drift too large   4.50090602068336     
-   15.6456396116544       split increased to            2  itime      933928 
+ acceleration/energy drift too large   7.10432241633930     
+   13.4007442266139       split increased to            2  itime      933728 
   itsplit           1
 Momenta zeroed out, time           186799.80
- acceleration/energy drift too large   4.16733652856423     
-   11.6823486841665       split increased to            2  itime      934382 
+ acceleration/energy drift too large   6.71014026498354     
+   10.1802082714688       split increased to            2  itime      934204 
+  itsplit           1
+ acceleration/energy drift too large   3.00083851411055     
+   11.1139063717582       split increased to            2  itime      934435 
   itsplit           1
 Momenta zeroed out, time           186999.80
- acceleration/energy drift too large   4.30941283188510     
-   27.7215043750857       split increased to            2  itime      935501 
+ acceleration/energy drift too large   3.47673056254361     
+   10.5985781708956       split increased to            2  itime      935267 
+  itsplit           1
+ acceleration/energy drift too large   5.77756456318088     
+   11.1848435314673       split increased to            2  itime      935905 
   itsplit           1
 Momenta zeroed out, time           187199.80
-Momenta zeroed out, time           187399.80
- acceleration/energy drift too large   2.76284625614008     
-   10.0351904454390       split increased to            2  itime      937700 
+ acceleration/energy drift too large   3.71638590746331     
+   24.3741382227894       split increased to            2  itime      936332 
   itsplit           1
-Momenta zeroed out, time           187599.80
-Momenta zeroed out, time           187799.80
- acceleration/energy drift too large   6.78524350610386     
-   15.3275896687647       split increased to            2  itime      939605 
+ acceleration/energy drift too large   5.83908543327349     
+   13.0636674673147       split increased to            2  itime      936825 
   itsplit           1
-Velocities reset to random values, time           187999.80
-Momenta zeroed out, time           187999.80
- acceleration/energy drift too large   4.73717802051542     
-   18.9473121193478       split increased to            2  itime      940269 
+ acceleration/energy drift too large   3.73571939320816     
+   10.8709606001149       split increased to            2  itime      936895 
   itsplit           1
- acceleration/energy drift too large   6.67098540592355     
-   38.6376295858348       split increased to            2  itime      940875 
+Momenta zeroed out, time           187399.80
+ acceleration/energy drift too large   6.32352546714854     
+   16.0248131052076       split increased to            2  itime      937695 
   itsplit           1
- acceleration/energy drift too large   8.63999306396240     
-   33.0637959771606       split increased to            2  itime      940904 
+ acceleration/energy drift too large   4.29016221540055     
+   13.0959995721893       split increased to            2  itime      937806 
   itsplit           1
-Momenta zeroed out, time           188199.80
-Momenta zeroed out, time           188399.80
- acceleration/energy drift too large   7.65135462693437     
-   38.0113379738952       split increased to            2  itime      942927 
+ acceleration/energy drift too large   7.68261459883862     
+   23.6296512784514       split increased to            2  itime      937849 
   itsplit           1
-Momenta zeroed out, time           188599.80
- acceleration/energy drift too large   6.13631615605190     
-   14.9235639453071       split increased to            2  itime      943155 
+ acceleration/energy drift too large   6.35355664224780     
+   13.5315473896730       split increased to            2  itime      937850 
   itsplit           1
- acceleration/energy drift too large   5.06285679507727     
-   17.5218450206518       split increased to            2  itime      943217 
+Momenta zeroed out, time           187599.80
+ acceleration/energy drift too large   5.22775112718196     
+   11.9346479950213       split increased to            2  itime      938311 
   itsplit           1
- acceleration/energy drift too large   5.48960531006628     
-   24.7107260148534       split increased to            2  itime      943269 
+Momenta zeroed out, time           187799.80
+ acceleration/energy drift too large   2.54518835571035     
+   16.2986876426509       split increased to            2  itime      939130 
   itsplit           1
- acceleration/energy drift too large   5.34220394224179     
-   13.4262077945852       split increased to            2  itime      943273 
+ acceleration/energy drift too large   3.87561875621361     
+   12.2114808507919       split increased to            2  itime      939598 
   itsplit           1
-Momenta zeroed out, time           188799.80
- acceleration/energy drift too large   2.80163196064782     
-   15.4166772582070       split increased to            2  itime      944199 
+ acceleration/energy drift too large   4.78847890593776     
+   13.8911843837866       split increased to            2  itime      939699 
   itsplit           1
- acceleration/energy drift too large   5.16263959797157     
-   13.8491686593547       split increased to            2  itime      944217 
+Velocities reset to random values, time           187999.80
+Momenta zeroed out, time           187999.80
+ acceleration/energy drift too large   5.21846749028331     
+   15.6698452412548       split increased to            2  itime      940167 
   itsplit           1
- acceleration/energy drift too large   3.94517407865665     
-   17.8683123747116       split increased to            2  itime      944769 
+ acceleration/energy drift too large   4.68060277281618     
+   10.6604022965345       split increased to            2  itime      940659 
   itsplit           1
-Momenta zeroed out, time           188999.80
- acceleration/energy drift too large   4.65055481086309     
-   16.9079421077048       split increased to            2  itime      945295 
+Momenta zeroed out, time           188199.80
+ acceleration/energy drift too large   4.56998884139258     
+   11.3778500020763       split increased to            2  itime      941725 
   itsplit           1
- acceleration/energy drift too large   2.83342246674539     
-   21.6397782985979       split increased to            2  itime      945423 
+Momenta zeroed out, time           188399.80
+ acceleration/energy drift too large   3.98722829745612     
+   10.3102258397061       split increased to            2  itime      942325 
   itsplit           1
- acceleration/energy drift too large   4.01084381456886     
-   14.1818811898946       split increased to            2  itime      945424 
+ acceleration/energy drift too large   4.01363657086762     
+   10.7864642176418       split increased to            2  itime      942665 
   itsplit           1
- acceleration/energy drift too large   2.73475275200831     
-   13.4223156565407       split increased to            2  itime      945718 
+Momenta zeroed out, time           188599.80
+ acceleration/energy drift too large   5.61397029986755     
+   28.2192020432131       split increased to            2  itime      943033 
   itsplit           1
- acceleration/energy drift too large   6.49331794106259     
-   12.0048810863970       split increased to            2  itime      945824 
+ acceleration/energy drift too large   3.64586092186879     
+   13.9710518485400       split increased to            2  itime      943447 
   itsplit           1
- acceleration/energy drift too large   4.55165249827254     
-   12.8185412694377       split increased to            2  itime      945878 
+Momenta zeroed out, time           188799.80
+Momenta zeroed out, time           188999.80
+ acceleration/energy drift too large   5.80823162118725     
+   13.3831749390340       split increased to            2  itime      945577 
   itsplit           1
 Momenta zeroed out, time           189199.80
- acceleration/energy drift too large   5.74236037767918     
-   16.3781680557543       split increased to            2  itime      946203 
-  itsplit           1
- acceleration/energy drift too large   14.5504579287466     
-   68.2573926704191       split increased to            2  itime      946281 
-  itsplit           1
- acceleration/energy drift too large   2.85951781360296     
-   11.5047801303155       split increased to            4  itime      946281 
-  itsplit           1
- acceleration/energy drift too large   5.89554452161124     
-   17.0654459172462       split increased to            2  itime      946617 
-  itsplit           1
 Momenta zeroed out, time           189399.80
- acceleration/energy drift too large   4.86601339770613     
-   29.2403829166032       split increased to            2  itime      947035 
-  itsplit           1
- acceleration/energy drift too large   15.1895351329311     
-   93.7437196569472       split increased to            2  itime      947896 
-  itsplit           1
- acceleration/energy drift too large   3.06286988990659     
-   16.3764151672278       split increased to            4  itime      947896 
-  itsplit           2
 Momenta zeroed out, time           189599.80
- acceleration/energy drift too large   3.40915053889831     
-   18.3533940649424       split increased to            2  itime      948877 
-  itsplit           1
-Momenta zeroed out, time           189799.80
- acceleration/energy drift too large   4.20585590827688     
-   14.7291893044936       split increased to            2  itime      949114 
+ acceleration/energy drift too large   3.53485844901304     
+   10.2188786315204       split increased to            2  itime      948064 
   itsplit           1
- acceleration/energy drift too large   2.34734241524470     
-   18.1485214146918       split increased to            2  itime      949570 
+ acceleration/energy drift too large   6.20022946837085     
+   16.3191778318284       split increased to            2  itime      948196 
   itsplit           1
- acceleration/energy drift too large   6.48988649804155     
-   27.1932241278782       split increased to            2  itime      949867 
+ acceleration/energy drift too large   4.74787775807674     
+   11.2579348953484       split increased to            2  itime      948258 
   itsplit           1
- acceleration/energy drift too large   3.02271337939951     
-   12.3871349090902       split increased to            2  itime      949944 
+Momenta zeroed out, time           189799.80
+ acceleration/energy drift too large   4.29571608909058     
+   12.7481455486650       split increased to            2  itime      949361 
   itsplit           1
 Velocities reset to random values, time           189999.80
 Momenta zeroed out, time           189999.80
+ acceleration/energy drift too large   3.62168899460094     
+   19.9532563687278       split increased to            2  itime      950744 
+  itsplit           1
 Momenta zeroed out, time           190199.80
- acceleration/energy drift too large   5.30583859017524     
-   15.6720360168611       split increased to            2  itime      951141 
+ acceleration/energy drift too large   5.07291879384687     
+   17.4424979440060       split increased to            2  itime      951002 
   itsplit           1
- acceleration/energy drift too large   5.02359784973123     
-   26.9442722354131       split increased to            2  itime      951192 
+ acceleration/energy drift too large   11.1321839894163     
+   41.8709834324540       split increased to            2  itime      951607 
   itsplit           1
- acceleration/energy drift too large   3.11798117350216     
-   21.4249686235457       split increased to            2  itime      951731 
+ acceleration/energy drift too large   6.48485669250547     
+   24.9268701903797       split increased to            2  itime      951727 
   itsplit           1
 Momenta zeroed out, time           190399.80
- acceleration/energy drift too large   3.38589766897599     
-   12.6303379066485       split increased to            2  itime      952224 
-  itsplit           1
 Momenta zeroed out, time           190599.80
- acceleration/energy drift too large   3.34895733482538     
-   11.0939378703926       split increased to            2  itime      953502 
+ acceleration/energy drift too large   6.60563472461638     
+   32.0061529667438       split increased to            2  itime      953425 
   itsplit           1
-Momenta zeroed out, time           190799.80
- acceleration/energy drift too large   4.29963068611007     
-   11.2966444093490       split increased to            2  itime      954188 
+ acceleration/energy drift too large   4.90880202084020     
+   19.8744206184490       split increased to            2  itime      953631 
   itsplit           1
- acceleration/energy drift too large   2.90996272757538     
-   15.6229786978636       split increased to            2  itime      954714 
+ acceleration/energy drift too large   5.48984469732227     
+   20.5558386955148       split increased to            2  itime      953675 
   itsplit           1
-Momenta zeroed out, time           190999.80
- acceleration/energy drift too large   5.50432150271640     
-   13.7840211215530       split increased to            2  itime      955059 
+ acceleration/energy drift too large   3.21020354914500     
+   11.8813697413337       split increased to            2  itime      953843 
   itsplit           1
- acceleration/energy drift too large   5.18634031636487     
-   13.6780367458958       split increased to            2  itime      955707 
+ acceleration/energy drift too large   3.89474202028926     
+   13.6852852833451       split increased to            2  itime      953907 
   itsplit           1
+ acceleration/energy drift too large   4.98881541514126     
+   18.4627687831274       split increased to            2  itime      953941 
+  itsplit           1
+ acceleration/energy drift too large   2.54068635285528     
+   11.8539706811871       split increased to            2  itime      953963 
+  itsplit           1
+Momenta zeroed out, time           190799.80
+Momenta zeroed out, time           190999.80
 Momenta zeroed out, time           191199.80
- acceleration/energy drift too large   3.36012686079377     
-   21.2191353836142       split increased to            2  itime      956904 
+ acceleration/energy drift too large   8.10535827851849     
+   30.5915608127116       split increased to            2  itime      956342 
   itsplit           1
 Momenta zeroed out, time           191399.80
- acceleration/energy drift too large   3.83126478530124     
-   15.6462352694395       split increased to            2  itime      957437 
+ acceleration/energy drift too large   3.34957876659886     
+   11.2372147223608       split increased to            2  itime      957197 
   itsplit           1
 Momenta zeroed out, time           191599.80
- acceleration/energy drift too large   3.64612535581968     
-   15.2993087344421       split increased to            2  itime      958040 
-  itsplit           1
 Momenta zeroed out, time           191799.80
-Velocities reset to random values, time           191999.80
-Momenta zeroed out, time           191999.80
-Momenta zeroed out, time           192199.80
- acceleration/energy drift too large   5.08970491567938     
-   24.3964523377177       split increased to            2  itime      961611 
+ acceleration/energy drift too large   4.51264800196964     
+   21.9273098084363       split increased to            2  itime      959166 
   itsplit           1
- acceleration/energy drift too large   7.04981175698917     
-   16.4004279665512       split increased to            2  itime      961722 
+ acceleration/energy drift too large   7.14197930980964     
+   16.7995483104300       split increased to            2  itime      959316 
   itsplit           1
- acceleration/energy drift too large   9.97985766534424     
-   117.662553606536       split increased to            2  itime      961732 
+ acceleration/energy drift too large   7.03035556419750     
+   17.0231599252204       split increased to            2  itime      959953 
   itsplit           1
- acceleration/energy drift too large   2.42561989782653     
-   28.2629035438878       split increased to            4  itime      961732 
-  itsplit           2
-Momenta zeroed out, time           192399.80
- acceleration/energy drift too large   3.09785721591680     
-   27.1945629028277       split increased to            2  itime      962257 
+Velocities reset to random values, time           191999.80
+Momenta zeroed out, time           191999.80
+ acceleration/energy drift too large   8.04332186210772     
+   11.2712922076869       split increased to            2  itime      960424 
   itsplit           1
- acceleration/energy drift too large   3.13573303170835     
-   14.5569732278840       split increased to            2  itime      962601 
+Momenta zeroed out, time           192199.80
+ acceleration/energy drift too large   4.85895917886117     
+   13.1990704811490       split increased to            2  itime      961318 
   itsplit           1
- acceleration/energy drift too large   11.0553855752116     
-   44.7364381255024       split increased to            2  itime      962855 
+ acceleration/energy drift too large   2.31665828852142     
+   19.7984714532071       split increased to            2  itime      961369 
   itsplit           1
- acceleration/energy drift too large   5.83609021216156     
-   40.8739820295481       split increased to            2  itime      962927 
+ acceleration/energy drift too large   6.11816647669699     
+   16.3076889068863       split increased to            2  itime      961847 
   itsplit           1
+Momenta zeroed out, time           192399.80
 Momenta zeroed out, time           192599.80
- acceleration/energy drift too large   3.53959076496469     
-   12.4845513380945       split increased to            2  itime      963188 
+ acceleration/energy drift too large   2.35450720419895     
+   16.0125092654359       split increased to            2  itime      963064 
   itsplit           1
 Momenta zeroed out, time           192799.80
- acceleration/energy drift too large   4.11091039184379     
-   11.3440386763401       split increased to            2  itime      964413 
+ acceleration/energy drift too large   8.54234306105639     
+   21.2533392829014       split increased to            2  itime      964798 
   itsplit           1
 Momenta zeroed out, time           192999.80
- acceleration/energy drift too large   8.73576178497544     
-   20.6740931766789       split increased to            2  itime      965113 
-  itsplit           1
- acceleration/energy drift too large   9.92817172224338     
-   55.7913522275069       split increased to            2  itime      965502 
+ acceleration/energy drift too large   3.21354842302253     
+   12.8851298576112       split increased to            2  itime      965662 
   itsplit           1
 Momenta zeroed out, time           193199.80
- acceleration/energy drift too large   3.70502698286595     
-   16.5751669475558       split increased to            2  itime      966296 
-  itsplit           1
- acceleration/energy drift too large   3.53489066502570     
-   12.7570269447236       split increased to            2  itime      966605 
+ acceleration/energy drift too large   10.5364316186791     
+   46.3570417891821       split increased to            2  itime      966048 
   itsplit           1
 Momenta zeroed out, time           193399.80
- acceleration/energy drift too large   3.11651097406067     
-   16.1168090298818       split increased to            2  itime      967263 
-  itsplit           1
- acceleration/energy drift too large   6.96644032535799     
-   33.3128581181213       split increased to            2  itime      967436 
+ acceleration/energy drift too large   5.19109868312671     
+   20.2525493625643       split increased to            2  itime      967127 
   itsplit           1
- acceleration/energy drift too large   4.07147077798489     
-   22.2627523254102       split increased to            2  itime      967875 
+ acceleration/energy drift too large   8.22587164565080     
+   24.4024615105879       split increased to            2  itime      967575 
   itsplit           1
 Momenta zeroed out, time           193599.80
- acceleration/energy drift too large   2.63430458237210     
-   13.9760337913396       split increased to            2  itime      968334 
-  itsplit           1
- acceleration/energy drift too large   3.43010285170123     
-   10.6777360297494       split increased to            2  itime      968646 
-  itsplit           1
- acceleration/energy drift too large   4.76398885364594     
-   15.9552506265523       split increased to            2  itime      968781 
-  itsplit           1
- acceleration/energy drift acceleration/energy drift too large   1.89840179515054     
-   10.3577371245965       split increased to            2  itime      965996 
-  itsplit           1
-Momenta zeroed out, acceleration/energy drift too large   3.44672893893568     
-   11.9244767354249       split increased to            2  itime      969962 
+ acceleration/energy drift too large   6.42358235987028     
+   13.5982509003907       split increased to            2  itime      968118 
   itsplit           1
+Momenta zeroed out, time           193799.80
 Velocities reset to random values, time           193999.80
 Momenta zeroed out, time           193999.80
- acceleration/energy drift too large   3.22277690225160     
-   12.1933353873622       split increased to            2  itime      970849 
+ acceleration/energy drift too large   6.08049044276984     
+   14.7786038730939       split increased to            2  itime      970386 
   itsplit           1
-Momenta zeroed out, time           194199.80
-Momenta zeroed out, time           194399.80
- acceleration/energy drift too large   4.40924116760098     
-   26.9002484253744       split increased to            2  itime      972252 
+ acceleration/energy drift too large   6.66278022378191     
+   14.4336360391279       split increased to            2  itime      970654 
   itsplit           1
- acceleration/energy drift too large   5.92463721317183     
-   20.0501793918539       split increased to            2  itime      972522 
+Momenta zeroed out, time           194199.80
+ acceleration/energy drift too large   4.54894883536840     
+   15.0956988220061       split increased to            2  itime      971092 
   itsplit           1
- acceleration/energy drift too large   4.34890502390975     
-   10.8731017964593       split increased to            2  itime      972595 
+Momenta zeroed out, time           194399.80
+ acceleration/energy drift too large   4.00740716510586     
+   17.0334543014372       split increased to            2  itime      972969 
   itsplit           1
 Momenta zeroed out, time           194599.80
- acceleration/energy drift too large   1.94911132536328     
-   11.1316902325791       split increased to            2  itime      973252 
-  itsplit           1
- acceleration/energy drift too large   5.00739636154845     
-   33.9919282154557       split increased to            2  itime      973531 
-  itsplit           1
- acceleration/energy drift too large   2.50664765939772     
-   11.1506123914772       split increased to            2  itime      973802 
+ acceleration/energy drift too large   3.58621222223532     
+   13.2305717579538       split increased to            2  itime      973886 
   itsplit           1
 Momenta zeroed out, time           194799.80
 Momenta zeroed out, time           194999.80
- acceleration/energy drift too large   5.71150303644548     
-   21.8246230300003       split increased to            2  itime      975056 
+ acceleration/energy drift too large   3.79270987295472     
+   22.6796858701753       split increased to            2  itime      975457 
+  itsplit           1
+ acceleration/energy drift too large   3.09895530296583     
+   10.0301667800304       split increased to            2  itime      975695 
   itsplit           1
- acceleration/energy drift too large   9.70841437225044     
-   45.6886721602701       split increased to            2  itime      975745 
+ acceleration/energy drift too large   4.18433047017834     
+   13.6081078914716       split increased to            2  itime      975957 
   itsplit           1
 Momenta zeroed out, time           195199.80
+ acceleration/energy drift too large   4.93221790224093     
+   10.4424127625346       split increased to            2  itime      976354 
+  itsplit           1
 Momenta zeroed out, time           195399.80
- acceleration/energy drift too large   5.56724102366389     
-   13.7337083932267       split increased to            2  itime      977210 
+ acceleration/energy drift too large   5.46856948501924     
+   11.2034559317878       split increased to            2  itime      977392 
   itsplit           1
 Momenta zeroed out, time           195599.80
- acceleration/energy drift too large   6.21548675468662     
-   44.2326552330934       split increased to            2  itime      978161 
+ acceleration/energy drift too large   6.14499637364112     
+   12.5003606521746       split increased to            2  itime      978062 
+  itsplit           1
+ acceleration/energy drift too large   5.74344483043997     
+   11.3599878774001       split increased to            2  itime      978108 
+  itsplit           1
+ acceleration/energy drift too large   2.89723432377980     
+   10.2294439265532       split increased to            2  itime      978205 
   itsplit           1
- acceleration/energy drift too large   2.58916634487526     
-   17.2224426022970       split increased to            2  itime      978271 
+ acceleration/energy drift too large   4.07236188556951     
+   11.6587156406108       split increased to            2  itime      978873 
   itsplit           1
 Momenta zeroed out, time           195799.80
 Velocities reset to random values, time           195999.80
 Momenta zeroed out, time           195999.80
- acceleration/energy drift too large   5.32879067301076     
-   30.1061976645770       split increased to            2  itime      980028 
+Momenta zeroed out, time           196199.80
+ acceleration/energy drift too large   4.70238288531074     
+   32.8747145577476       split increased to            2  itime      981098 
   itsplit           1
- acceleration/energy drift too large   5.60085476080103     
-   23.9822793057830       split increased to            2  itime      980103 
+ acceleration/energy drift too large   4.93104715270705     
+   30.1921950832350       split increased to            2  itime      981100 
   itsplit           1
- acceleration/energy drift too large   6.01743475415038     
-   20.0310350388195       split increased to            2  itime      980625 
+ acceleration/energy drift too large   6.33455759132321     
+   25.2510398330375       split increased to            2  itime      981477 
   itsplit           1
-Momenta zeroed out, time           196199.80
- acceleration/energy drift too large   4.06876677944407     
-   10.0611306158446       split increased to            2  itime      981296 
+ acceleration/energy drift too large   4.02376901077198     
+   12.1800957776674       split increased to            2  itime      981483 
   itsplit           1
- acceleration/energy drift too large   6.65806132343587     
-   19.6636779308226       split increased to            2  itime      981301 
+Momenta zeroed out, time           196399.80
+ acceleration/energy drift too large   5.58885973478717     
+   13.1875105307924       split increased to            2  itime      982181 
   itsplit           1
- acceleration/energy drift too large   3.35774250249235     
-   15.9225976128123       split increased to            2  itime      981734 
+ acceleration/energy drift too large   5.04581040175988     
+   17.2074416002183       split increased to            2  itime      982288 
   itsplit           1
-Momenta zeroed out, time           196399.80
- acceleration/energy drift too large   8.51606989698796     
-   36.6158658053837       split increased to            2  itime      982534 
+ acceleration/energy drift too large   2.85115351459859     
+   10.8011333456838       split increased to            2  itime      982478 
   itsplit           1
-Momenta zeroed out, time           196599.80
- acceleration/energy drift too large   8.42928991853263     
-   27.0476695708525       split increased to            2  itime      983150 
+ acceleration/energy drift too large   7.37019462341877     
+   36.2617333274985       split increased to            2  itime      982902 
   itsplit           1
- acceleration/energy drift too large   5.18659180546070     
-   13.7667568594697       split increased to            2  itime      983473 
+Momenta zeroed out, time           196599.80
+ acceleration/energy drift too large   2.72351470043161     
+   14.3102220609124       split increased to            2  itime      983233 
   itsplit           1
- acceleration/energy drift too large   10.8261057898290     
-   56.5651594848264       split increased to            2  itime      983519 
+ acceleration/energy drift too large   4.79106938797314     
+   10.3014691931054       split increased to            2  itime      983947 
   itsplit           1
- acceleration/energy drift too large   4.75811164627312     
-   14.1759382265242       split increased to            2  itime      983928 
+ acceleration/energy drift too large   13.3714798681889     
+   73.0885632253670       split increased to            2  itime      983962 
   itsplit           1
 Momenta zeroed out, time           196799.80
- acceleration/energy drift too large   3.27958201199103     
-   24.6934901608088       split increased to            2  itime      984945 
+ acceleration/energy drift too large   10.7026301774956     
+   51.5599473990701       split increased to            2  itime      984045 
+  itsplit           1
+ acceleration/energy drift too large   4.31878483975895     
+   22.1673971576901       split increased to            2  itime      984083 
+  itsplit           1
+ acceleration/energy drift too large   4.35265171038146     
+   11.3812899625186       split increased to            2  itime      984471 
   itsplit           1
 Momenta zeroed out, time           196999.80
- acceleration/energy drift too large   6.12048289291648     
-   16.9279584638503       split increased to            2  itime      985972 
+ acceleration/energy drift too large   12.3751559229885     
+   52.0692418697522       split increased to            2  itime      985831 
+  itsplit           1
+ acceleration/energy drift too large   2.21373443090583     
+   12.1081092595780       split increased to            4  itime      985831 
   itsplit           1
 Momenta zeroed out, time           197199.80
 Momenta zeroed out, time           197399.80
- acceleration/energy drift too large   2.55391409849555     
-   13.9137684163820       split increased to            2  itime      987619 
-  itsplit           1
 Momenta zeroed out, time           197599.80
- acceleration/energy drift too large   3.65469634187797     
-   27.5231297635338       split increased to            2  itime      988467 
+ acceleration/energy drift too large   5.58344813885889     
+   13.6987812884649       split increased to            2  itime      988036 
+  itsplit           1
+ acceleration/energy drift too large   7.16725499998244     
+   28.1300047692789       split increased to            2  itime      988133 
+  itsplit           1
+ acceleration/energy drift too large   4.27021617682166     
+   19.7855458953752       split increased to            2  itime      988665 
   itsplit           1
 Momenta zeroed out, time           197799.80
- acceleration/energy drift too large   8.24902536290480     
-   36.0837906791958       split increased to            2  itime      989928 
+ acceleration/energy drift too large   8.31153355068150     
+   25.6591538592235       split increased to            2  itime      989840 
   itsplit           1
 Velocities reset to random values, time           197999.80
 Momenta zeroed out, time           197999.80
- acceleration/energy drift too large   11.4343148321719     
-   58.7840913919111       split increased to            2  itime      990461 
+Momenta zeroed out, time           198199.80
+ acceleration/energy drift too large   5.18009264032913     
+   18.1097950632432       split increased to            2  itime      991022 
   itsplit           1
- acceleration/energy drift too large   4.30032361787469     
-   15.0362222071750       split increased to            2  itime      990900 
+ acceleration/energy drift too large   6.99112767683479     
+   46.4655360307441       split increased to            2  itime      991235 
+  itsplit           1
+ acceleration/energy drift too large   5.14291220701786     
+   15.5705103480291       split increased to            2  itime      991362 
   itsplit           1
-Momenta zeroed out, time           198199.80
 Momenta zeroed out, time           198399.80
- acceleration/energy drift too large   5.19410250758931     
-   12.1846051747309       split increased to            2  itime      992504 
+ acceleration/energy drift too large   9.71392929333094     
+   40.2642412981917       split increased to            2  itime      992834 
+  itsplit           1
+ acceleration/energy drift too large   7.08325737249144     
+   19.5852839857342       split increased to            2  itime      992947 
   itsplit           1
 Momenta zeroed out, time           198599.80
- acceleration/energy drift too large   7.58804028652694     
-   32.8316898657976       split increased to            2  itime      993952 
+ acceleration/energy drift too large   5.43553187674042     
+   19.1666800654064       split increased to            2  itime      993836 
   itsplit           1
 Momenta zeroed out, time           198799.80
 Momenta zeroed out, time           198999.80
- acceleration/energy drift too large   2.26078484468134     
-   14.7744660284227       split increased to            2  itime      995321 
-  itsplit           1
- acceleration/energy drift too large   11.3878521641082     
-   56.6099324438761       split increased to            2  itime      995456 
-  itsplit           1
 Momenta zeroed out, time           199199.80
 Momenta zeroed out, time           199399.80
- acceleration/energy drift too large   18.0420275166525     
-   134.067236081275       split increased to            2  itime      997152 
-  itsplit           1
- acceleration/energy drift too large   6.24108822422071     
-   18.4898789448144       split increased to            2  itime      997278 
+ acceleration/energy drift too large   3.04821263338997     
+   13.0846739467017       split increased to            2  itime      997341 
   itsplit           1
- acceleration/energy drift too large   4.50149274071399     
-   10.4357706755005       split increased to            2  itime      997704 
+ acceleration/energy drift too large   4.92288704463862     
+   14.4990427690431       split increased to            2  itime      997669 
   itsplit           1
- acceleration/energy drift too large   4.29659171929309     
-   12.3812285086548       split increased to            2  itime      997791 
-  itsplit           1
- acceleration/energy drift too large   2.89770626652682     
-   14.4682333977227       split increased to            2  itime      997839 
+ acceleration/energy drift too large   4.57668800673194     
+   16.1621646777161       split increased to            2  itime      997679 
   itsplit           1
 Momenta zeroed out, time           199599.80
 Momenta zeroed out, time           199799.80
+ acceleration/energy drift too large   9.54516351619101     
+   43.2916410951086       split increased to            2  itime      999168 
+  itsplit           1
+ acceleration/energy drift too large   4.09418573801191     
+   19.0650286179921       split increased to            2  itime      999628 
+  itsplit           1
+ acceleration/energy drift too large   5.18754830195799     
+   10.4586651518142       split increased to            2  itime      999635 
+  itsplit           1
+ acceleration/energy drift too large   4.88070975596851     
+   21.1340055390955       split increased to            2  itime      999846 
+  itsplit           1
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.10191E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.78230E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.28895E+02
+                               MD steps:    4.12629E+02
 
 
 ============================  End of MD calculation  ===========================
-4368 
+
+ acceleration/energy drift too large   7.95392096099139     
+   24.0582156048584       split increased to            2  itime      984351 
   itsplit           1
-Momenta zeroed out, time           198999.80
- acceleration/energy drift too large   3.61674175613133     
-   12.8865290297937       split increased to            2  itime      995428 
+ acceleration/energy drift too large   6.51513773442537     
+   16.9809067407739       split increased to            2  itime      984741 
   itsplit           1
- acceleration/energy drift too large   4.05170068842274     
-   17.1458800768142       split increased to            2  itime      995869 
+Momenta zeroed out, time           196999.80
+ acceleration/energy drift too large   5.86592187462032     
+   20.3234950025121       split increased to            2  itime      985019 
   itsplit           1
-Momenta zeroed out, time           199199.80
-Momenta zeroed out, time           199399.80
-Momenta zeroed out, time           199599.80
- acceleration/energy drift too large   6.01782540769379     
-   10.1071919619827       split increased to            2  itime      998224 
+ acceleration/energy drift too large   5.68856873862632     
+   13.1871021994811       split increased to            2  itime      985183 
   itsplit           1
- acceleration/energy drift too large   4.68388366687022     
-   32.7863501044106       split increased to            2  itime      998502 
+ acceleration/energy drift too large   3.02955455897086     
+   17.7611599983012       split increased to            2  itime      985665 
   itsplit           1
-Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   4.16920743953922     
-   20.5148667962855       split increased to            2  itime      999184 
+Momenta zeroed out, time           197199.80
+Momenta zeroed out, time           197399.80
+ acceleration/energy drift too large   9.04383544908274     
+   37.5176320244565       split increased to            2  itime      987546 
   itsplit           1
- acceleration/energy drift too large   13.3242961262785     
-   72.6420917703085       split increased to            2  itime      999601 
+ acceleration/energy drift too large   5.88139236660806     
+   24.6427117431976       split increased to            2  itime      987700 
   itsplit           1
+Momenta zeroed out, time           197599.80
+ acceleration/energy drift too large   2.69967240241830     
+   11.2650385042898       split increased to            2  itime      988091 
+  itsplit           1
+ acceleration/energy drift too large   5.93563072879855     
+   31.0341103733273       split increased to            2  itime      988100 
+  itsplit           1
+ acceleration/energy drift too large   2.84275970440463     
+   11.5475907915809       split increased to            2  itime      988137 
+  itsplit           1
+ acceleration/energy drift too large   5.17744375152716     
+   14.0968558419142       split increased to            2  itime      988450 
+  itsplit           1
+Momenta zeroed out, time           197799.80
+ acceleration/energy drift too large   7.31912456710062     
+   23.6223645367384       split increased to            2  itime      989359 
+  itsplit           1
+Velocities reset to random values, time           197999.80
+Momenta zeroed out, time           197999.80
+ acceleration/energy drift too large   5.08218983292689     
+   16.4631095353587       split increased to            2  itime      990532 
+  itsplit           1
+ acceleration/energy drift too large   4.66733811857143     
+   13.5167839035135       split increased to            2  itime      990590 
+  itsplit           1
+Momenta zeroed out, time           198199.80
+ acceleration/energy drift too large   4.37921915110444     
+   20.1302614512003       split increased to            2  itime      991590 
+  itsplit           1
+ acceleration/energy drift too large   4.15877170145354     
+   11.5058563279040       split increased to            2  itime      991659 
+  itsplit           1
+ acceleration/energy drift too large   2.16498137089329     
+   17.5628407624664       split increased to            2  itime      991956 
+  itsplit           1
+ acceleration/energy drift too large   3.79880864824795     
+   20.5337213994077       split increased to            2  itime      991981 
+  itsplit           1
+Momenta zeroed out, time           198399.80
+Momenta zeroed out, time           198599.80
+ acceleration/energy drift too large   5.61045248233829     
+   32.2492691259340       split increased to            2  itime      993421 
+  itsplit           1
+Momenta zeroed out, time           198799.80
+ acceleration/energy drift too large   16.3314510537657     
+   133.551358614422       split increased to            2  itime      994081 
+  itsplit           1
+ acceleration/energy drift too large   4.21929155901221     
+   12.6395713302951       split increased to            2  itime      994179 
+  itsplit           1
+ acceleration/energy drift too large   4.10135014179102     
+   16.3487322960002       split increased to            2  itime      994456 
+  itsplit           1
+Momenta zeroed out, time           198999.80
+Momenta zeroed out, time           199199.80
+Momenta zeroed out, time           199399.80
+Momenta zeroed out, time           199599.80
+Momenta zeroed out, time           199799.80
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
@@ -5456,103 +5361,119 @@ Momenta zeroed out, time           199999.80
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.10441E+02
+           Energy & gradient evaluation:    3.81609E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.30016E+02
+                               MD steps:    4.17016E+02
 
 
 ============================  End of MD calculation  ===========================
-  20.0560260690292       split increased to            2  itime      992973 
+32716452807       split increased to            2  itime      999047 
   itsplit           1
-Momenta zeroed out, time           198599.80
- acceleration/energy drift too large   5.09145448802677     
-   14.0376303032264       split increased to            2  itime      993792 
+ acceleration/energy drift too large   9.23607846972501     
+   26.0123555344339       split increased to            2  itime      999092 
   itsplit           1
-Momenta zeroed out, time           198799.80
- acceleration/energy drift too large   4.34945956642024     
-   14.2267001033344       split increased to            2  itime      994337 
-  itsplit           1
- acceleration/energy drift too large   4.66748799505398     
-   26.1938776744982       split increased to            2  itime      994875 
-  itsplit           1
- acceleration/energy drift too large   7.78631915313970     
-   22.3211638937278       split increased to            2  itime      994900 
+Velocities reset to random values, time           199999.80
+Momenta zeroed out, time           199999.80
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    3.77129E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.12039E+02
+
+
+============================  End of MD calculation  ===========================
+4375 
   itsplit           1
 Momenta zeroed out, time           198999.80
- acceleration/energy drift too large   6.68168389643022     
-   21.6691902160048       split increased to            2  itime      995550 
-  itsplit           1
- acceleration/energy drift too large   4.19964437395016     
-   18.8821917360448       split increased to            2  itime      995561 
-  itsplit           1
- acceleration/energy drift too large   3.21997145721997     
-   10.6630250748447       split increased to            2  itime      995562 
-  itsplit           1
 Momenta zeroed out, time           199199.80
- acceleration/energy drift too large   2.32345290352488     
-   13.3450130638571       split increased to            2  itime      996865 
-  itsplit           1
-Momenta zeroed out, time           199399.80
- acceleration/energy drift too large   6.12099526389789     
-   27.9930293755634       split increased to            2  itime      997228 
+ acceleration/energy drift too large   4.47092185874326     
+   12.4669773177637       split increased to            2  itime      996204 
   itsplit           1
- acceleration/energy drift too large   2.46847733163652     
-   20.4804755575360       split increased to            2  itime      997229 
+ acceleration/energy drift too large   5.67575815217471     
+   39.2010805431968       split increased to            2  itime      996615 
   itsplit           1
- acceleration/energy drift too large   9.37938205926189     
-   42.1387355445341       split increased to            2  itime      997726 
+Momenta zeroed out, time           199399.80
+ acceleration/energy drift too large   15.8040378584216     
+   90.0345741361007       split increased to            2  itime      997830 
   itsplit           1
 Momenta zeroed out, time           199599.80
- acceleration/energy drift too large   4.28756381152085     
-   10.8394474649412       split increased to            2  itime      998284 
-  itsplit           1
 Momenta zeroed out, time           199799.80
+ acceleration/energy drift too large   11.0278605090044     
+   56.6260892895822       split increased to            2  itime      999392 
+  itsplit           1
+ acceleration/energy drift too large   3.15472625938531     
+   20.1080514168576       split increased to            2  itime      999620 
+  itsplit           1
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.10395E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.78387E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.29406E+02
-
-
-============================  End of MD calculation  ===========================
-setup:    0.00000E+00
-                               MD steps:    3.27875E+02
+                               MD steps:    4.13918E+02
 
 
 ============================  End of MD calculation  ===========================
-rgy drift too large   7.24715654192502     
-   18.9505553112439       split increased to            2  itime      993900 
+          2  itime      991962 
+  itsplit           1
+Momenta zeroed out, time           198399.80
+ acceleration/energy drift too large   4.73617186878547     
+   28.4969099148737       split increased to            2  itime      992889 
+  itsplit           1
+Momenta zeroed out, time           198599.80
+ acceleration/energy drift too large   5.42986830861734     
+   33.5158325163853       split increased to            2  itime      993382 
+  itsplit           1
+ acceleration/energy drift too large   5.87298752986836     
+   16.6574658539057       split increased to            2  itime      993617 
+  itsplit           1
+ acceleration/energy drift too large   4.04688928913552     
+   25.3134062033452       split increased to            4  itime      993617 
   itsplit           1
 Momenta zeroed out, time           198799.80
- acceleration/energy drift too large   5.49702392217636     
-   19.4708131682054       split increased to            2  itime      994449 
+ acceleration/energy drift too large   5.13060356791393     
+   25.0377955371455       split increased to            2  itime      994020 
+  itsplit           1
+ acceleration/energy drift too large   6.90031890764850     
+   24.6459681401968       split increased to            2  itime      994634 
   itsplit           1
 Momenta zeroed out, time           198999.80
+ acceleration/energy drift too large   4.75369740038249     
+   12.8775576459253       split increased to            2  itime      995439 
+  itsplit           1
+ acceleration/energy drift too large   2.26434982153980     
+   10.6647965342273       split increased to            2  itime      995703 
+  itsplit           1
+ acceleration/energy drift too large   5.85127322130413     
+   15.4622705300436       split increased to            2  itime      995737 
+  itsplit           1
 Momenta zeroed out, time           199199.80
-Momenta zeroed out, time           199399.80
- acceleration/energy drift too large   6.87187582405623     
-   23.2661276042525       split increased to            2  itime      997107 
+ acceleration/energy drift too large   4.77606789952053     
+   10.9172776047259       split increased to            2  itime      996528 
   itsplit           1
- acceleration/energy drift too large   2.89504479472868     
-   13.3861033587327       split increased to            2  itime      997256 
+ acceleration/energy drift too large   8.62201806242373     
+   16.4558416452627       split increased to            2  itime      996529 
   itsplit           1
- acceleration/energy drift too large   4.39651911197273     
-   22.0389974268657       split increased to            2  itime      997521 
+Momenta zeroed out, time           199399.80
+ acceleration/energy drift too large   5.10187152309926     
+   14.6739881977706       split increased to            2  itime      997301 
   itsplit           1
 Momenta zeroed out, time           199599.80
- acceleration/energy drift too large   12.1184613560660     
-   59.1391593376783       split increased to            2  itime      998675 
+ acceleration/energy drift too large   6.04963274252450     
+   15.4781479553992       split increased to            2  itime      998048 
   itsplit           1
 Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   3.55973245595484     
-   14.8278332309023       split increased to            2  itime      999256 
+ acceleration/energy drift too large   3.17803109546662     
+   22.8585894838461       split increased to            2  itime      999174 
   itsplit           1
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
@@ -5561,74 +5482,192 @@ Momenta zeroed out, time           199999.80
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.08582E+02
+           Energy & gradient evaluation:    3.78395E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.27547E+02
+                               MD steps:    4.13406E+02
 
 
 ============================  End of MD calculation  ===========================
-itsplit           1
+e      966534 
+  itsplit           1
+ acceleration/energy drift too large   5.07626627228561     
+   18.3124424306172       split increased to            2  itime      966891 
+  itsplit           1
+Momenta zeroed out, time           193399.80
+ acceleration/energy drift too large   3.43010315185310     
+   12.7082419883324       split increased to            2  itime      967746 
+  itsplit           1
+Momenta zeroed out, time           193599.80
+ acceleration/energy drift too large   12.8198413836811     
+   64.8020301456184       split increased to            2  itime      968466 
+  itsplit           1
+Momenta zeroed out, time           193799.80
+ acceleration/energy drift too large   2.82718302191664     
+   17.3714990526693       split increased to            2  itime      969107 
+  itsplit           1
+ acceleration/energy drift too large   6.80189592288310     
+   15.6802527908521       split increased to            2  itime      969728 
+  itsplit           1
+ acceleration/energy drift too large   4.53399746083003     
+   11.4101506312813       split increased to            2  itime      969936 
+  itsplit           1
+Velocities reset to random values, time           193999.80
+Momenta zeroed out, time           193999.80
+ acceleration/energy drift too large   11.1115459388486     
+   74.2363092694887       split increased to            2  itime      970396 
+  itsplit           1
+Momenta zeroed out, time           194199.80
+ acceleration/energy drift too large   4.98644294153803     
+   13.5055553480662       split increased to            2  itime      971002 
+  itsplit           1
+ acceleration/energy drift too large   7.74544724624494     
+   17.0577061126550       split increased to            2  itime      971124 
+  itsplit           1
+Momenta zeroed out, time           194399.80
+ acceleration/energy drift too large   4.40030874382478     
+   23.3000532553112       split increased to            2  itime      972651 
+  itsplit           1
+ acceleration/energy drift too large   5.56823876030698     
+   15.0032109809121       split increased to            2  itime      972655 
+  itsplit           1
+Momenta zeroed out, time           194599.80
+ acceleration/energy drift too large   5.55050990220552     
+   15.1975363328468       split increased to            2  itime      973068 
+  itsplit           1
+ acceleration/energy drift too large   3.78361704385083     
+   13.7048384367711       split increased to            2  itime      973778 
+  itsplit           1
+Momenta zeroed out, time           194799.80
+ acceleration/energy drift too large   8.11290418335080     
+   32.3887123760032       split increased to            2  itime      974130 
+  itsplit           1
+ acceleration/energy drift too large   2.78565912809414     
+   16.5467524852337       split increased to            2  itime      974842 
+  itsplit           1
+Momenta zeroed out, time           194999.80
+ acceleration/energy drift too large   2.36689650221697     
+   20.2532346384010       split increased to            2  itime      975091 
+  itsplit           1
+ acceleration/energy drift too large   2.44319548382304     
+   21.0908210381533       split increased to            2  itime      975829 
+  itsplit           1
+Momenta zeroed out, time           195199.80
+Momenta zeroed out, time           195399.80
+Momenta zeroed out, time           195599.80
+ acceleration/energy drift too large   1.64158882077048     
+   12.4577531811823       split increased to            2  itime      978561 
+  itsplit           1
+Momenta zeroed out, time           195799.80
+ acceleration/energy drift too large   10.3458835866860     
+   49.1564910941992       split increased to            2  itime      979405 
+  itsplit           1
+Velocities reset to random values, time           195999.80
+Momenta zeroed out, time           195999.80
+ acceleration/energy drift too large   10.8435781464870     
+   51.7621711154319       split increased to            2  itime      980046 
+  itsplit           1
+Momenta zeroed out, time           196199.80
+ acceleration/energy drift too large   10.7222086585765     
+   63.4683469497719       split increased to            2  itime      981043 
+  itsplit           1
+Momenta zeroed out, time           196399.80
+ acceleration/energy drift too large   8.92301626089940     
+   40.1519301623446       split increased to            2  itime      982049 
+  itsplit           1
+ acceleration/energy drift too large   3.22960645025894     
+   19.6494932928974       split increased to            2  itime      982131 
+  itsplit           1
+ acceleration/energy drift too large   3.64208665418447     
+   14.1980549265985       split increased to            2  itime      982775 
+  itsplit           1
+Momenta zeroed out, time           196599.80
+ acceleration/energy drift too large   3.13500471358128     
+   10.5637569399450       split increased to            2  itime      983833 
+  itsplit           1
+Momenta zeroed out, time           196799.80
+ acceleration/energy drift too large   4.82573349528675     
+   23.2753641072678       split increased to            2  itime      984500 
+  itsplit           1
+Momenta zeroed out, time           196999.80
+ acceleration/energy drift too large   11.1599378762755     
+   57.4189992353630       split increased to            2  itime      985630 
+  itsplit           1
+ acceleration/energy drift too large   2.69836803134602     
+   13.7969298104340       split increased to            4  itime      985630 
+  itsplit           2
+Momenta zeroed out, time           197199.80
+ acceleration/energy drift too large   3.95751411877529     
+   10.5616416144544       split increased to            2  itime      986615 
+  itsplit           1
+Momenta zeroed out, time           197399.80
+ acceleration/energy drift too large   4.52342070433395     
+   20.9852308647372       split increased to            2  itime      987296 
+  itsplit           1
+Momenta zeroed out, time           197599.80
+ acceleration/energy drift too large   3.69878719489643     
+   10.2223385926519       split increased to            2  itime      988710 
+  itsplit           1
 Momenta zeroed out, time           197799.80
- acceleration/energy drift too large   8.29215166389780     
-   41.6211760498517       split increased to            2  itime      989371 
+ acceleration/energy drift too large   6.49687167976460     
+   17.5212545067781       split increased to            2  itime      989525 
   itsplit           1
- acceleration/energy drift too large   7.61542932016374     
-   26.0573064087668       split increased to            2  itime      989862 
+ acceleration/energy drift too large   6.52133192416972     
+   16.5249458539267       split increased to            2  itime      989528 
   itsplit           1
 Velocities reset to random values, time           197999.80
 Momenta zeroed out, time           197999.80
- acceleration/energy drift too large   4.51722475010147     
-   13.7356886157552       split increased to            2  itime      990335 
-  itsplit           1
- acceleration/energy drift too large   3.89772672175383     
-   17.8099259604559       split increased to            2  itime      990756 
+ acceleration/energy drift too large   8.84495401783421     
+   35.3782598966529       split increased to            2  itime      990049 
   itsplit           1
 Momenta zeroed out, time           198199.80
- acceleration/energy drift too large   8.94003930379801     
-   36.8105579342492       split increased to            2  itime      991257 
-  itsplit           1
 Momenta zeroed out, time           198399.80
- acceleration/energy drift too large   3.55358684373914     
-   12.3211725379241       split increased to            2  itime      992132 
+Momenta zeroed out, time           198599.80
+ acceleration/energy drift too large   6.30323341679011     
+   29.5027817397155       split increased to            2  itime      993692 
   itsplit           1
- acceleration/energy drift too large   4.65537538442201     
-   13.1273317069886       split increased to            2  itime      992386 
+Momenta zeroed out, time           198799.80
+ acceleration/energy drift too large   5.97491772178907     
+   10.5590230048831       split increased to            2  itime      994352 
   itsplit           1
- acceleration/energy drift too large   5.75498846239782     
-   15.2782003289825       split increased to            2  itime      992515 
+ acceleration/energy drift too large   8.42156207949763     
+   29.4521641730380       split increased to            2  itime      994680 
   itsplit           1
-Momenta zeroed out, time           198599.80
-Momenta zeroed out, time           198799.80
 Momenta zeroed out, time           198999.80
- acceleration/energy drift too large   2.52229983403417     
-   14.3907475233442       split increased to            2  itime      995301 
+ acceleration/energy drift too large   7.26627633717777     
+   14.6914683015562       split increased to            2  itime      995142 
   itsplit           1
- acceleration/energy drift too large   6.03994185171092     
-   18.7596811216431       split increased to            2  itime      995719 
-  itsplit           1
- acceleration/energy drift too large   4.96725487361852     
-   17.5761608658326       split increased to            2  itime      995818 
+ acceleration/energy drift too large   4.80326776802752     
+   15.6399647637807       split increased to            2  itime      995445 
   itsplit           1
 Momenta zeroed out, time           199199.80
+ acceleration/energy drift too large   8.68559319347088     
+   32.6186009964619       split increased to            2  itime      996414 
+  itsplit           1
+ acceleration/energy drift too large   4.89754722857892     
+   12.3042226176091       split increased to            2  itime      996670 
+  itsplit           1
 Momenta zeroed out, time           199399.80
- acceleration/energy drift too large   4.27856966149297     
-   16.5951022887465       split increased to            2  itime      997089 
+ acceleration/energy drift too large   4.09739494650759     
+   11.1055247240244       split increased to            2  itime      997152 
   itsplit           1
- acceleration/energy drift too large   8.86521123268110     
-   22.5339983302024       split increased to            2  itime      997412 
+ acceleration/energy drift too large   4.47763880539328     
+   13.4329287619749       split increased to            2  itime      997687 
   itsplit           1
- acceleration/energy drift too large   7.50430558016283     
-   27.0757639328441       split increased to            2  itime      997904 
+ acceleration/energy drift too large   5.04258429468271     
+   14.4852754305057       split increased to            2  itime      997988 
   itsplit           1
 Momenta zeroed out, time           199599.80
- acceleration/energy drift too large   8.97383319962953     
-   33.1506492654953       split increased to            2  itime      998107 
+ acceleration/energy drift too large   5.19346671185565     
+   16.1282539059780       split increased to            2  itime      998570 
   itsplit           1
-Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   5.94079089781479     
-   11.6928788274260       split increased to            2  itime      999559 
+ acceleration/energy drift too large   6.60648066470069     
+   23.1567512293166       split increased to            2  itime      998588 
+  itsplit           1
+ acceleration/energy drift too large   2.50024677287692     
+   10.9141992433219       split increased to            2  itime      998589 
   itsplit           1
+Momenta zeroed out, time           199799.80
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
 
@@ -5636,27 +5675,82 @@ Momenta zeroed out, time           199999.80
 ===================================  Timing  ===================================
 
                   MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.10926E+02
+           Energy & gradient evaluation:    3.80586E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.29434E+02
+                               MD steps:    4.15188E+02
 
 
 ============================  End of MD calculation  ===========================
-   2  itime      998081 
+0516840870       split increased to            2  itime      986180 
   itsplit           1
- acceleration/energy drift too large   6.41793446820617     
-   38.5172395382245       split increased to            2  itime      998521 
+Momenta zeroed out, time           197399.80
+ acceleration/energy drift too large   7.39578309192475     
+   32.5152601018247       split increased to            2  itime      987536 
   itsplit           1
-Momenta zeroed out, time           199799.80
- acceleration/energy drift too large   3.72668209135480     
-   11.7987407301254       split increased to            2  itime      999134 
+Momenta zeroed out, time           197599.80
+ acceleration/energy drift too large   6.07828757094589     
+   16.5293387169307       split increased to            2  itime      988224 
+  itsplit           1
+ acceleration/energy drift too large   5.80559459617538     
+   20.8097623652619       split increased to            2  itime      988495 
+  itsplit           1
+Momenta zeroed out, time           197799.80
+ acceleration/energy drift too large   4.35491531610965     
+   13.9191383265365       split increased to            2  itime      989878 
+  itsplit           1
+Velocities reset to random values, time           197999.80
+Momenta zeroed out, time           197999.80
+ acceleration/energy drift too large   4.37462025036912     
+   24.2246410307495       split increased to            2  itime      990016 
+  itsplit           1
+ acceleration/energy drift too large   6.21920646536690     
+   14.6682883425568       split increased to            2  itime      990789 
+  itsplit           1
+Momenta zeroed out, time           198199.80
+Momenta zeroed out, time           198399.80
+ acceleration/energy drift too large   4.42262953749155     
+   17.6878473640905       split increased to            2  itime      992972 
+  itsplit           1
+Momenta zeroed out, time           198599.80
+ acceleration/energy drift too large   5.77759588160516     
+   22.6947456428010       split increased to            2  itime      993181 
+  itsplit           1
+Momenta zeroed out, time           198799.80
+ acceleration/energy drift too large   7.61822242605262     
+   29.7668405801226       split increased to            2  itime      994413 
+  itsplit           1
+Momenta zeroed out, time           198999.80
+ acceleration/energy drift too large   6.23542977372943     
+   24.3340185687613       split increased to            2  itime      995737 
+  itsplit           1
+Momenta zeroed out, time           199199.80
+ acceleration/energy drift too large   3.84344967747137     
+   10.3634160194556       split increased to            2  itime      996389 
   itsplit           1
- acceleration/energy drift too large   4.54595564281487     
-   20.2154264509775       split increased to            2  itime      999188 
+ acceleration/energy drift too large   7.96787826516072     
+   16.7969266332477       split increased to            2  itime      996940 
+  itsplit           1
+Momenta zeroed out, time           199399.80
+Momenta zeroed out, time           199599.80
+ acceleration/energy drift too large   8.63197708084807     
+   31.7114594160537       split increased to            2  itime      998713 
+  itsplit           1
+ acceleration/energy drift too large   7.71419692275764     
+   28.3067466507710       split increased to            2  itime      998765 
+  itsplit           1
+ acceleration/energy drift too large   2.69674503305952     
+   14.5779362485194       split increased to            4  itime      998765 
+  itsplit           1
+ acceleration/energy drift too large   3.23802090004351     
+   21.5204352305774       split increased to            2  itime      998811 
+  itsplit           1
+Momenta zeroed out, time           199799.80
+ acceleration/energy drift too large   6.28895060113806     
+   22.5584283795559       split increased to            2  itime      999115 
   itsplit           1
- acceleration/energy drift too large   5.86794805877932     
-   26.7234654219408       split increased to            2  itime      999439 
+ acceleration/energy drift too large   3.01670853218112     
+   11.6932021893723       split increased to            2  itime      999275 
   itsplit           1
 Velocities reset to random values, time           199999.80
 Momenta zeroed out, time           199999.80
@@ -5665,10 +5759,10 @@ Momenta zeroed out, time           199999.80
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.08367E+02
+           Energy & gradient evaluation:    3.83316E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.27875E+02
+                               MD steps:    4.18477E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/unres.csh b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/unres.csh
index 9d96dfe..2652ea2 100755
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/unres.csh
+++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/unres.csh
@@ -4,10 +4,10 @@ setenv POT GB
 setenv PREFIX 1L2Y_MD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv UNRES_ROOT /users/adam/unres/
-setenv DD $UNRES_ROOT/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
 setenv ROTPAR $DD/scgauss.parm
@@ -16,7 +16,8 @@ setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm
 setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-setenv SCCORPAR $DD/rotcorr_AM1.parm
+#setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
 #-----------------------------------------------------------------------------
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.inp b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.inp
index efd1084..f0d6b35 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.inp
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.inp
@@ -4,7 +4,7 @@ nstep=1000000 ntwe=10000 ntwx=10000 dt=0.20 damax=10.0 lang=0 tbf              &
 tau_bath=1.0 t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=64
 nrep=16 nstex=100000 tlist mlist traj1file rest1file sync nsyn=100000
   250  260  270  280  290  300  310  320  330  340  350  360  370  380  390  400
-    4    4    4    4    4    4    4    4    4    4    4    4    4    4    4    4  
+    2    2    2    2    2    2    2    2    2    2    2    2    2    2    2    2  
 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
 WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.out_GB000 b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.out_GB000
index a6fdf7b..cb865a2 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.out_GB000
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD.out_GB000
@@ -5,33 +5,33 @@
  Output file                     : 1L2Y_MREMD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 298
- compiled Thu Jul  5 05:49:13 2012
+ Version 2.5 build 303
+ compiled Mon Jul 23 17:44:56 2012
  compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
@@ -112,10 +112,10 @@ Velocities will be reset at random every     10000 steps
    340.000000000000        350.000000000000        360.000000000000     
    370.000000000000        380.000000000000        390.000000000000     
    400.000000000000     
- mlist           4           4           4           4           4           4
-           4           4           4           4           4           4
-           4           4           4           4
- Total number of replicas           64
+ mlist           2           2           2           2           2           2
+           2           2           2           2           2           2
+           2           2           2           2
+ Total number of replicas           32
 
 ============================== End of REMD run setup =============================
 
@@ -304,150 +304,80 @@ Replica exchange molecular dynamics (REMD) calculation.
 
  Calling chainbuild
  Calling REMD
- MREMD          64 time before  3.125000000000000E-002
+ MREMD          32 time before  1.562500000000000E-002
  NREP=          16
- i2rep      1      1      1      1      2      2      2      2      3      3
-      3      3      4      4      4      4      5      5      5      5      6
-      6      6      6      7      7      7      7      8      8      8      8
-      9      9      9      9     10     10     10     10     11     11     11
-     11     12     12     12     12     13     13     13     13     14     14
-     14     14     15     15     15     15     16     16     16     16
+ i2rep      1      1      2      2      3      3      4      4      5      5
+      6      6      7      7      8      8      9      9     10     10     11
+     11     12     12     13     13     14     14     15     15     16     16
  i2set      1      1      1      1      1      1      1      1      1      1
       1      1      1      1      1      1      1      1      1      1      1
       1      1      1      1      1      1      1      1      1      1      1
-      1      1      1      1      1      1      1      1      1      1      1
-      1      1      1      1      1      1      1      1      1      1      1
-      1      1      1      1      1      1      1      1      1      1
  i,j,il,il1,i_index(i,j,il,il1)
-ifirst   1   2   3   4
-  nupa   1:   5   6   7   8
+ifirst   1   2
+  nupa   1:   3   4
 ndowna   1:
-  nupa   2:   5   6   7   8
+  nupa   2:   3   4
 ndowna   2:
-  nupa   3:   5   6   7   8
-ndowna   3:
-  nupa   4:   5   6   7   8
-ndowna   4:
-  nupa   5:   9  10  11  12
-ndowna   5:   1   2   3   4
-  nupa   6:   9  10  11  12
-ndowna   6:   1   2   3   4
-  nupa   7:   9  10  11  12
-ndowna   7:   1   2   3   4
-  nupa   8:   9  10  11  12
-ndowna   8:   1   2   3   4
-  nupa   9:  13  14  15  16
-ndowna   9:   5   6   7   8
-  nupa  10:  13  14  15  16
-ndowna  10:   5   6   7   8
-  nupa  11:  13  14  15  16
-ndowna  11:   5   6   7   8
-  nupa  12:  13  14  15  16
-ndowna  12:   5   6   7   8
-  nupa  13:  17  18  19  20
-ndowna  13:   9  10  11  12
-  nupa  14:  17  18  19  20
-ndowna  14:   9  10  11  12
-  nupa  15:  17  18  19  20
-ndowna  15:   9  10  11  12
-  nupa  16:  17  18  19  20
-ndowna  16:   9  10  11  12
-  nupa  17:  21  22  23  24
-ndowna  17:  13  14  15  16
-  nupa  18:  21  22  23  24
-ndowna  18:  13  14  15  16
-  nupa  19:  21  22  23  24
-ndowna  19:  13  14  15  16
-  nupa  20:  21  22  23  24
-ndowna  20:  13  14  15  16
-  nupa  21:  25  26  27  28
-ndowna  21:  17  18  19  20
-  nupa  22:  25  26  27  28
-ndowna  22:  17  18  19  20
-  nupa  23:  25  26  27  28
-ndowna  23:  17  18  19  20
-  nupa  24:  25  26  27  28
-ndowna  24:  17  18  19  20
-  nupa  25:  29  30  31  32
-ndowna  25:  21  22  23  24
-  nupa  26:  29  30  31  32
-ndowna  26:  21  22  23  24
-  nupa  27:  29  30  31  32
-ndowna  27:  21  22  23  24
-  nupa  28:  29  30  31  32
-ndowna  28:  21  22  23  24
-  nupa  29:  33  34  35  36
-ndowna  29:  25  26  27  28
-  nupa  30:  33  34  35  36
-ndowna  30:  25  26  27  28
-  nupa  31:  33  34  35  36
-ndowna  31:  25  26  27  28
-  nupa  32:  33  34  35  36
-ndowna  32:  25  26  27  28
-  nupa  33:  37  38  39  40
-ndowna  33:  29  30  31  32
-  nupa  34:  37  38  39  40
-ndowna  34:  29  30  31  32
-  nupa  35:  37  38  39  40
-ndowna  35:  29  30  31  32
-  nupa  36:  37  38  39  40
-ndowna  36:  29  30  31  32
-  nupa  37:  41  42  43  44
-ndowna  37:  33  34  35  36
-  nupa  38:  41  42  43  44
-ndowna  38:  33  34  35  36
-  nupa  39:  41  42  43  44
-ndowna  39:  33  34  35  36
-  nupa  40:  41  42  43  44
-ndowna  40:  33  34  35  36
-  nupa  41:  45  46  47  48
-ndowna  41:  37  38  39  40
-  nupa  42:  45  46  47  48
-ndowna  42:  37  38  39  40
-  nupa  43:  45  46  47  48
-ndowna  43:  37  38  39  40
-  nupa  44:  45  46  47  48
-ndowna  44:  37  38  39  40
-  nupa  45:  49  50  51  52
-ndowna  45:  41  42  43  44
-  nupa  46:  49  50  51  52
-ndowna  46:  41  42  43  44
-  nupa  47:  49  50  51  52
-ndowna  47:  41  42  43  44
-  nupa  48:  49  50  51  52
-ndowna  48:  41  42  43  44
-  nupa  49:  53  54  55  56
-ndowna  49:  45  46  47  48
-  nupa  50:  53  54  55  56
-ndowna  50:  45  46  47  48
-  nupa  51:  53  54  55  56
-ndowna  51:  45  46  47  48
-  nupa  52:  53  54  55  56
-ndowna  52:  45  46  47  48
-  nupa  53:  57  58  59  60
-ndowna  53:  49  50  51  52
-  nupa  54:  57  58  59  60
-ndowna  54:  49  50  51  52
-  nupa  55:  57  58  59  60
-ndowna  55:  49  50  51  52
-  nupa  56:  57  58  59  60
-ndowna  56:  49  50  51  52
-  nupa  57:  61  62  63  64
-ndowna  57:  53  54  55  56
-  nupa  58:  61  62  63  64
-ndowna  58:  53  54  55  56
-  nupa  59:  61  62  63  64
-ndowna  59:  53  54  55  56
-  nupa  60:  61  62  63  64
-ndowna  60:  53  54  55  56
-  nupa  61:
-ndowna  61:  57  58  59  60
-  nupa  62:
-ndowna  62:  57  58  59  60
-  nupa  63:
-ndowna  63:  57  58  59  60
-  nupa  64:
-ndowna  64:  57  58  59  60
+  nupa   3:   5   6
+ndowna   3:   1   2
+  nupa   4:   5   6
+ndowna   4:   1   2
+  nupa   5:   7   8
+ndowna   5:   3   4
+  nupa   6:   7   8
+ndowna   6:   3   4
+  nupa   7:   9  10
+ndowna   7:   5   6
+  nupa   8:   9  10
+ndowna   8:   5   6
+  nupa   9:  11  12
+ndowna   9:   7   8
+  nupa  10:  11  12
+ndowna  10:   7   8
+  nupa  11:  13  14
+ndowna  11:   9  10
+  nupa  12:  13  14
+ndowna  12:   9  10
+  nupa  13:  15  16
+ndowna  13:  11  12
+  nupa  14:  15  16
+ndowna  14:  11  12
+  nupa  15:  17  18
+ndowna  15:  13  14
+  nupa  16:  17  18
+ndowna  16:  13  14
+  nupa  17:  19  20
+ndowna  17:  15  16
+  nupa  18:  19  20
+ndowna  18:  15  16
+  nupa  19:  21  22
+ndowna  19:  17  18
+  nupa  20:  21  22
+ndowna  20:  17  18
+  nupa  21:  23  24
+ndowna  21:  19  20
+  nupa  22:  23  24
+ndowna  22:  19  20
+  nupa  23:  25  26
+ndowna  23:  21  22
+  nupa  24:  25  26
+ndowna  24:  21  22
+  nupa  25:  27  28
+ndowna  25:  23  24
+  nupa  26:  27  28
+ndowna  26:  23  24
+  nupa  27:  29  30
+ndowna  27:  25  26
+  nupa  28:  29  30
+ndowna  28:  25  26
+  nupa  29:  31  32
+ndowna  29:  27  28
+  nupa  30:  31  32
+ndowna  30:  27  28
+  nupa  31:
+ndowna  31:  29  30
+  nupa  32:
+ndowna  32:  29  30
                                            REMD Temperature: 250.00000
 ====================MD calculation start====================
  Initial velocities randomly generated
@@ -563,7 +493,7 @@ Initial:
 
     maximum acceleration    4.85077E+00
 
- Setup time  4.687500000000000E-002
+ Setup time  1.953125000000000E-002
 Velocities reset to random values, time             1999.80
 Velocities reset to random values, time             3999.80
 Velocities reset to random values, time             5999.80
@@ -575,27 +505,27 @@ Velocities reset to random values, time            15999.80
 Velocities reset to random values, time            17999.80
 Velocities reset to random values, time            19999.80
  REMD synchro at      100000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   40.4296875000000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  7.812500000000000E-003
+ REMD gather times=   40.6640625000000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.50000    4
-ACC   2   260.00000     0.75000    4
-ACC   3   270.00000     0.25000    4
-ACC   4   280.00000     0.50000    4
-ACC   5   290.00000     0.75000    4
-ACC   6   300.00000     1.00000    4
-ACC   7   310.00000     0.50000    4
-ACC   8   320.00000     0.75000    4
-ACC   9   330.00000     0.25000    4
-ACC  10   340.00000     1.00000    4
-ACC  11   350.00000     0.25000    4
-ACC  12   360.00000     1.00000    4
-ACC  13   370.00000     1.00000    4
-ACC  14   380.00000     0.75000    4
-ACC  15   390.00000     1.00000    4
+ACC   1   250.00000     1.00000    2
+ACC   2   260.00000     0.50000    2
+ACC   3   270.00000     1.00000    2
+ACC   4   280.00000     1.00000    2
+ACC   5   290.00000     0.00000    2
+ACC   6   300.00000     1.00000    2
+ACC   7   310.00000     1.00000    2
+ACC   8   320.00000     0.00000    2
+ACC   9   330.00000     0.50000    2
+ACC  10   340.00000     0.50000    2
+ACC  11   350.00000     0.50000    2
+ACC  12   360.00000     0.50000    2
+ACC  13   370.00000     1.00000    2
+ACC  14   380.00000     1.00000    2
+ACC  15   390.00000     0.50000    2
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time            21999.80
@@ -609,35 +539,32 @@ Velocities reset to random values, time            35999.80
 Velocities reset to random values, time            37999.80
 Velocities reset to random values, time            39999.80
  REMD synchro at      200000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   80.9257812500000       0.000000000000000E+000
+ REMD gather times=   81.3828125000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.37500    8
-ACC   2   260.00000     0.87500    8
-ACC   3   270.00000     0.50000    8
-ACC   4   280.00000     0.62500    8
-ACC   5   290.00000     0.62500    8
-ACC   6   300.00000     0.87500    8
-ACC   7   310.00000     0.62500    8
-ACC   8   320.00000     0.62500    8
-ACC   9   330.00000     0.12500    8
-ACC  10   340.00000     0.87500    8
-ACC  11   350.00000     0.50000    8
-ACC  12   360.00000     0.87500    8
-ACC  13   370.00000     1.00000    8
-ACC  14   380.00000     0.87500    8
-ACC  15   390.00000     0.62500    8
+ACC   1   250.00000     1.00000    4
+ACC   2   260.00000     0.25000    4
+ACC   3   270.00000     0.75000    4
+ACC   4   280.00000     1.00000    4
+ACC   5   290.00000     0.25000    4
+ACC   6   300.00000     0.50000    4
+ACC   7   310.00000     0.75000    4
+ACC   8   320.00000     0.50000    4
+ACC   9   330.00000     0.75000    4
+ACC  10   340.00000     0.50000    4
+ACC  11   350.00000     0.75000    4
+ACC  12   360.00000     0.50000    4
+ACC  13   370.00000     0.75000    4
+ACC  14   380.00000     1.00000    4
+ACC  15   390.00000     0.75000    4
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time            41999.80
 Velocities reset to random values, time            43999.80
 Velocities reset to random values, time            45999.80
- acceleration/energy drift too large   3.69012038618327     
-   19.9742323084751       split increased to            2  itime      232496 
-  itsplit           1
 Velocities reset to random values, time            47999.80
 Velocities reset to random values, time            49999.80
 Velocities reset to random values, time            51999.80
@@ -646,29 +573,29 @@ Velocities reset to random values, time            55999.80
 Velocities reset to random values, time            57999.80
 Velocities reset to random values, time            59999.80
  REMD synchro at      300000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   121.515625000000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
+ REMD gather times=   122.378906250000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.41667   12
-ACC   2   260.00000     0.75000   12
-ACC   3   270.00000     0.58333   12
-ACC   4   280.00000     0.50000   12
-ACC   5   290.00000     0.58333   12
-ACC   6   300.00000     0.83333   12
-ACC   7   310.00000     0.58333   12
-ACC   8   320.00000     0.66667   12
-ACC   9   330.00000     0.33333   12
-ACC  10   340.00000     0.91667   12
-ACC  11   350.00000     0.41667   12
-ACC  12   360.00000     0.83333   12
-ACC  13   370.00000     1.00000   12
-ACC  14   380.00000     0.91667   12
-ACC  15   390.00000     0.66667   12
+ACC   1   250.00000     1.00000    6
+ACC   2   260.00000     0.33333    6
+ACC   3   270.00000     0.83333    6
+ACC   4   280.00000     0.83333    6
+ACC   5   290.00000     0.33333    6
+ACC   6   300.00000     0.50000    6
+ACC   7   310.00000     0.66667    6
+ACC   8   320.00000     0.50000    6
+ACC   9   330.00000     0.66667    6
+ACC  10   340.00000     0.66667    6
+ACC  11   350.00000     0.83333    6
+ACC  12   360.00000     0.66667    6
+ACC  13   370.00000     0.66667    6
+ACC  14   380.00000     1.00000    6
+ACC  15   390.00000     0.66667    6
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time            61999.80
 Velocities reset to random values, time            63999.80
 Velocities reset to random values, time            65999.80
@@ -680,27 +607,27 @@ Velocities reset to random values, time            75999.80
 Velocities reset to random values, time            77999.80
 Velocities reset to random values, time            79999.80
  REMD synchro at      400000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   162.203125000000       0.000000000000000E+000
+ REMD gather times=   163.156250000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.43750   16
-ACC   2   260.00000     0.62500   16
-ACC   3   270.00000     0.50000   16
-ACC   4   280.00000     0.43750   16
-ACC   5   290.00000     0.62500   16
-ACC   6   300.00000     0.75000   16
-ACC   7   310.00000     0.62500   16
-ACC   8   320.00000     0.56250   16
-ACC   9   330.00000     0.50000   16
-ACC  10   340.00000     0.75000   16
-ACC  11   350.00000     0.50000   16
-ACC  12   360.00000     0.87500   16
-ACC  13   370.00000     1.00000   16
-ACC  14   380.00000     0.87500   16
-ACC  15   390.00000     0.68750   16
+ACC   1   250.00000     0.87500    8
+ACC   2   260.00000     0.37500    8
+ACC   3   270.00000     0.75000    8
+ACC   4   280.00000     0.75000    8
+ACC   5   290.00000     0.50000    8
+ACC   6   300.00000     0.62500    8
+ACC   7   310.00000     0.62500    8
+ACC   8   320.00000     0.62500    8
+ACC   9   330.00000     0.62500    8
+ACC  10   340.00000     0.75000    8
+ACC  11   350.00000     0.75000    8
+ACC  12   360.00000     0.62500    8
+ACC  13   370.00000     0.75000    8
+ACC  14   380.00000     0.87500    8
+ACC  15   390.00000     0.75000    8
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time            81999.80
@@ -714,29 +641,29 @@ Velocities reset to random values, time            95999.80
 Velocities reset to random values, time            97999.80
 Velocities reset to random values, time            99999.80
  REMD synchro at      500000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   202.804687500000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
+ REMD gather times=   203.988281250000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.50000   20
-ACC   2   260.00000     0.65000   20
-ACC   3   270.00000     0.40000   20
-ACC   4   280.00000     0.50000   20
-ACC   5   290.00000     0.70000   20
-ACC   6   300.00000     0.70000   20
-ACC   7   310.00000     0.60000   20
-ACC   8   320.00000     0.60000   20
-ACC   9   330.00000     0.40000   20
-ACC  10   340.00000     0.70000   20
-ACC  11   350.00000     0.50000   20
-ACC  12   360.00000     0.90000   20
-ACC  13   370.00000     0.95000   20
-ACC  14   380.00000     0.90000   20
-ACC  15   390.00000     0.70000   20
+ACC   1   250.00000     0.70000   10
+ACC   2   260.00000     0.50000   10
+ACC   3   270.00000     0.60000   10
+ACC   4   280.00000     0.80000   10
+ACC   5   290.00000     0.60000   10
+ACC   6   300.00000     0.60000   10
+ACC   7   310.00000     0.70000   10
+ACC   8   320.00000     0.50000   10
+ACC   9   330.00000     0.60000   10
+ACC  10   340.00000     0.80000   10
+ACC  11   350.00000     0.70000   10
+ACC  12   360.00000     0.70000   10
+ACC  13   370.00000     0.80000   10
+ACC  14   380.00000     0.90000   10
+ACC  15   390.00000     0.80000   10
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time           101999.80
 Velocities reset to random values, time           103999.80
 Velocities reset to random values, time           105999.80
@@ -748,27 +675,27 @@ Velocities reset to random values, time           115999.80
 Velocities reset to random values, time           117999.80
 Velocities reset to random values, time           119999.80
  REMD synchro at      600000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   243.441406250000       0.000000000000000E+000
+ REMD gather times=   244.695312500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.54167   24
-ACC   2   260.00000     0.66667   24
-ACC   3   270.00000     0.41667   24
-ACC   4   280.00000     0.45833   24
-ACC   5   290.00000     0.62500   24
-ACC   6   300.00000     0.70833   24
-ACC   7   310.00000     0.62500   24
-ACC   8   320.00000     0.58333   24
-ACC   9   330.00000     0.50000   24
-ACC  10   340.00000     0.66667   24
-ACC  11   350.00000     0.58333   24
-ACC  12   360.00000     0.91667   24
-ACC  13   370.00000     0.95833   24
-ACC  14   380.00000     0.83333   24
-ACC  15   390.00000     0.75000   24
+ACC   1   250.00000     0.75000   12
+ACC   2   260.00000     0.41667   12
+ACC   3   270.00000     0.66667   12
+ACC   4   280.00000     0.75000   12
+ACC   5   290.00000     0.66667   12
+ACC   6   300.00000     0.58333   12
+ACC   7   310.00000     0.75000   12
+ACC   8   320.00000     0.50000   12
+ACC   9   330.00000     0.50000   12
+ACC  10   340.00000     0.66667   12
+ACC  11   350.00000     0.75000   12
+ACC  12   360.00000     0.66667   12
+ACC  13   370.00000     0.83333   12
+ACC  14   380.00000     0.91667   12
+ACC  15   390.00000     0.83333   12
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time           121999.80
@@ -782,29 +709,29 @@ Velocities reset to random values, time           135999.80
 Velocities reset to random values, time           137999.80
 Velocities reset to random values, time           139999.80
  REMD synchro at      700000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   284.132812500000       0.000000000000000E+000
+ REMD gather times=   285.851562500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
+ REMD writing traj time=  7.812500000000000E-003
  NREP          16
-ACC   1   250.00000     0.53571   28
-ACC   2   260.00000     0.64286   28
-ACC   3   270.00000     0.46429   28
-ACC   4   280.00000     0.42857   28
-ACC   5   290.00000     0.57143   28
-ACC   6   300.00000     0.64286   28
-ACC   7   310.00000     0.64286   28
-ACC   8   320.00000     0.57143   28
-ACC   9   330.00000     0.53571   28
-ACC  10   340.00000     0.67857   28
-ACC  11   350.00000     0.57143   28
-ACC  12   360.00000     0.92857   28
-ACC  13   370.00000     0.96429   28
-ACC  14   380.00000     0.85714   28
-ACC  15   390.00000     0.71429   28
+ACC   1   250.00000     0.78571   14
+ACC   2   260.00000     0.50000   14
+ACC   3   270.00000     0.64286   14
+ACC   4   280.00000     0.71429   14
+ACC   5   290.00000     0.71429   14
+ACC   6   300.00000     0.57143   14
+ACC   7   310.00000     0.71429   14
+ACC   8   320.00000     0.50000   14
+ACC   9   330.00000     0.50000   14
+ACC  10   340.00000     0.64286   14
+ACC  11   350.00000     0.78571   14
+ACC  12   360.00000     0.64286   14
+ACC  13   370.00000     0.85714   14
+ACC  14   380.00000     0.92857   14
+ACC  15   390.00000     0.71429   14
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  1.171875000000000E-002
 Velocities reset to random values, time           141999.80
 Velocities reset to random values, time           143999.80
 Velocities reset to random values, time           145999.80
@@ -816,27 +743,27 @@ Velocities reset to random values, time           155999.80
 Velocities reset to random values, time           157999.80
 Velocities reset to random values, time           159999.80
  REMD synchro at      800000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   324.800781250000       0.000000000000000E+000
+ REMD gather times=   328.003906250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.50000   32
-ACC   2   260.00000     0.56250   32
-ACC   3   270.00000     0.40625   32
-ACC   4   280.00000     0.46875   32
-ACC   5   290.00000     0.53125   32
-ACC   6   300.00000     0.62500   32
-ACC   7   310.00000     0.62500   32
-ACC   8   320.00000     0.59375   32
-ACC   9   330.00000     0.50000   32
-ACC  10   340.00000     0.65625   32
-ACC  11   350.00000     0.62500   32
-ACC  12   360.00000     0.90625   32
-ACC  13   370.00000     0.96875   32
-ACC  14   380.00000     0.81250   32
-ACC  15   390.00000     0.75000   32
+ACC   1   250.00000     0.81250   16
+ACC   2   260.00000     0.43750   16
+ACC   3   270.00000     0.68750   16
+ACC   4   280.00000     0.75000   16
+ACC   5   290.00000     0.62500   16
+ACC   6   300.00000     0.62500   16
+ACC   7   310.00000     0.62500   16
+ACC   8   320.00000     0.56250   16
+ACC   9   330.00000     0.43750   16
+ACC  10   340.00000     0.68750   16
+ACC  11   350.00000     0.75000   16
+ACC  12   360.00000     0.68750   16
+ACC  13   370.00000     0.87500   16
+ACC  14   380.00000     0.93750   16
+ACC  15   390.00000     0.75000   16
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time           161999.80
@@ -850,27 +777,27 @@ Velocities reset to random values, time           175999.80
 Velocities reset to random values, time           177999.80
 Velocities reset to random values, time           179999.80
  REMD synchro at      900000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   365.562500000000       0.000000000000000E+000
+ REMD gather times=   368.871093750000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.47222   36
-ACC   2   260.00000     0.58333   36
-ACC   3   270.00000     0.41667   36
-ACC   4   280.00000     0.50000   36
-ACC   5   290.00000     0.55556   36
-ACC   6   300.00000     0.61111   36
-ACC   7   310.00000     0.55556   36
-ACC   8   320.00000     0.63889   36
-ACC   9   330.00000     0.50000   36
-ACC  10   340.00000     0.66667   36
-ACC  11   350.00000     0.61111   36
-ACC  12   360.00000     0.91667   36
-ACC  13   370.00000     0.91667   36
-ACC  14   380.00000     0.80556   36
-ACC  15   390.00000     0.75000   36
+ACC   1   250.00000     0.77778   18
+ACC   2   260.00000     0.38889   18
+ACC   3   270.00000     0.66667   18
+ACC   4   280.00000     0.66667   18
+ACC   5   290.00000     0.55556   18
+ACC   6   300.00000     0.61111   18
+ACC   7   310.00000     0.61111   18
+ACC   8   320.00000     0.61111   18
+ACC   9   330.00000     0.38889   18
+ACC  10   340.00000     0.72222   18
+ACC  11   350.00000     0.72222   18
+ACC  12   360.00000     0.72222   18
+ACC  13   370.00000     0.83333   18
+ACC  14   380.00000     0.88889   18
+ACC  15   390.00000     0.77778   18
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time           181999.80
@@ -884,20 +811,20 @@ Velocities reset to random values, time           195999.80
 Velocities reset to random values, time           197999.80
 Velocities reset to random values, time           199999.80
  REMD synchro at     1000000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
  writing restart at the end of run
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.56250E-02
-           Energy & gradient evaluation:    3.67648E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    3.71664E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.06250E+02
+                               MD steps:    4.10406E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   406.296875000000       sec
+ Total wall clock time   410.425781250000       sec
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB000.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB000.stat
index d1b1330..947e575 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB000.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB000.stat
@@ -9,93 +9,93 @@
      80000       16000.00      30.230     -42.009     -11.779   4.44 0.143 0.818 0.446 0.668     274.264     250.000       8.027    0 
      90000       18000.00      22.905     -40.636     -17.731   5.33 0.143 0.800 0.486 0.611     207.806     250.000       8.615    0 
     100000       20000.00      22.917     -47.327     -24.410   4.46 0.286 0.692 0.490 0.495     207.914     250.000       7.954    0 
-    110000       22000.00      23.943     -45.332     -21.388   4.80 0.286 0.692 0.430 0.554     217.226     250.000       7.965    0 
-    120000       24000.00      31.739     -40.043      -8.304   4.85 0.214 0.786 0.451 0.609     287.955     250.000       8.216    0 
-    130000       26000.00      20.350     -40.477     -20.128   5.07 0.143 0.750 0.426 0.145     184.621     250.000       8.469    0 
-    140000       28000.00      28.291     -35.171      -6.880   4.81 0.143 0.778 0.409 0.656     256.670     250.000       8.568    0 
-    150000       30000.00      27.367     -47.219     -19.852   4.81 0.071 0.909 0.467 0.617     248.283     250.000       8.238    0 
-    160000       32000.00      30.229     -47.908     -17.679   4.73 0.143 0.833 0.534 0.512     274.249     250.000       8.301    0 
-    170000       34000.00      25.719     -40.398     -14.680   4.82 0.214 0.727 0.475 0.418     233.332     250.000       8.432    0 
-    180000       36000.00      24.460     -39.292     -14.832   4.59 0.214 0.800 0.518 0.271     221.912     250.000       8.061    0 
-    190000       38000.00      34.213     -37.604      -3.391   5.05 0.071 0.900 0.509 0.532     310.396     250.000       8.389    0 
-    200000       40000.00      25.700     -40.954     -15.254   4.62 0.214 0.769 0.465 0.314     233.167     250.000       8.180    0 
-    210000       42000.00      32.932     -27.816       5.116   4.89 0.143 0.818 0.463 0.318     298.780     290.000       8.314    0 
-    220000       44000.00      28.933     -19.679       9.254   4.78 0.214 0.750 0.360 0.545     262.499     290.000       7.967    0 
-    230000       46000.00      23.407     -23.046       0.361   5.88 0.286 0.733 0.282 0.669     212.364     290.000       7.121    0 
-    240000       48000.00      30.339     -31.031      -0.692   2.83 0.429 0.625 0.375 0.360     275.248     290.000       6.768    0 
-    250000       50000.00      31.086     -31.670      -0.584   2.76 0.357 0.667 0.382 0.278     282.032     290.000       6.709    0 
-    260000       52000.00      31.871     -23.929       7.942   2.99 0.357 0.643 0.250 0.281     289.150     290.000       7.022    0 
-    270000       54000.00      26.331     -41.503     -15.172   2.98 0.357 0.500 0.164 0.834     238.888     290.000       7.497    0 
-    280000       56000.00      26.988     -27.933      -0.945   3.05 0.214 0.727 0.339 0.552     244.852     290.000       6.355    0 
-    290000       58000.00      30.469     -27.496       2.972   3.48 0.286 0.667 0.197 0.626     276.428     290.000       7.610    0 
-    300000       60000.00      28.108     -31.577      -3.468   5.34 0.429 0.455 0.169 0.538     255.014     290.000       8.199    0 
-    310000       62000.00      27.815     -33.438      -5.622   2.79 0.214 0.750 0.239 0.694     252.354     280.000       6.971    0 
-    320000       64000.00      32.007     -24.385       7.622   2.91 0.214 0.750 0.326 0.678     290.380     280.000       7.387    0 
-    330000       66000.00      25.696     -32.827      -7.131   3.93 0.357 0.643 0.276 0.249     233.124     280.000       6.476    0 
-    340000       68000.00      20.587     -33.754     -13.167   7.22 0.143 0.750 0.165 0.174     186.774     280.000       9.234    0 
-    350000       70000.00      22.590     -29.055      -6.465   3.43 0.357 0.545 0.169 0.864     204.946     280.000       7.726    0 
-    360000       72000.00      29.583     -35.307      -5.724   2.86 0.357 0.583 0.227 0.815     268.392     280.000       6.824    0 
-    370000       74000.00      29.631     -36.582      -6.951   3.18 0.357 0.545 0.174 0.424     268.824     280.000       7.545    0 
-    380000       76000.00      30.553     -46.143     -15.590   2.90 0.357 0.667 0.300 0.263     277.192     280.000       6.418    0 
-    390000       78000.00      32.527     -35.491      -2.965   3.07 0.357 0.500 0.218 0.798     295.098     280.000       6.892    0 
-    400000       80000.00      36.610     -36.239       0.372   2.48 0.500 0.500 0.224 1.127     332.148     280.000       7.045    0 
-    410000       82000.00      28.787     -40.349     -11.562   2.62 0.429 0.538 0.353 0.174     261.167     270.000       6.787    0 
-    420000       84000.00      25.648     -36.792     -11.144   2.64 0.214 0.769 0.217 0.638     232.690     270.000       7.007    0 
-    430000       86000.00      33.559     -38.235      -4.676   2.69 0.143 0.818 0.248 0.880     304.467     270.000       6.616    0 
-    440000       88000.00      27.502     -46.818     -19.316   2.74 0.429 0.571 0.195 0.517     249.513     270.000       7.019    0 
-    450000       90000.00      22.527     -39.980     -17.453   2.34 0.286 0.667 0.337 0.698     204.374     270.000       6.600    0 
-    460000       92000.00      35.405     -34.107       1.298   2.92 0.143 0.833 0.311 0.750     321.209     270.000       6.708    0 
-    470000       94000.00      22.747     -43.605     -20.858   2.45 0.286 0.733 0.285 0.310     206.376     270.000       6.620    0 
-    480000       96000.00      28.634     -34.671      -6.037   2.81 0.286 0.667 0.216 0.339     259.782     270.000       7.017    0 
-    490000       98000.00      28.268     -42.150     -13.881   2.78 0.286 0.692 0.304 0.569     256.462     270.000       6.278    0 
-    500000      100000.00      24.747     -44.536     -19.789   3.07 0.357 0.583 0.386 0.505     224.515     270.000       6.491    0 
-    510000      102000.00      30.964     -47.905     -16.941   3.11 0.286 0.714 0.227 0.262     280.926     250.000       6.994    0 
-    520000      104000.00      23.199     -47.573     -24.374   2.79 0.357 0.500 0.209 0.372     210.471     250.000       6.752    0 
-    530000      106000.00      29.660     -51.045     -21.385   3.02 0.429 0.538 0.255 0.234     269.090     250.000       6.885    0 
-    540000      108000.00      32.235     -54.378     -22.143   2.76 0.429 0.571 0.201 0.915     292.457     250.000       6.728    0 
-    550000      110000.00      26.035     -45.143     -19.107   3.29 0.500 0.562 0.202 0.628     236.206     250.000       7.102    0 
-    560000      112000.00      27.169     -59.528     -32.359   3.07 0.357 0.583 0.167 0.250     246.493     250.000       7.331    0 
-    570000      114000.00      36.857     -56.806     -19.949   2.75 0.429 0.571 0.260 0.277     334.383     250.000       6.718    0 
-    580000      116000.00      22.975     -52.082     -29.107   3.58 0.429 0.455 0.169 0.214     208.438     250.000       7.744    0 
-    590000      118000.00      23.054     -53.972     -30.917   2.88 0.286 0.733 0.306 0.627     209.162     250.000       6.255    0 
-    600000      120000.00      27.658     -51.473     -23.815   2.98 0.214 0.812 0.355 0.301     250.924     250.000       6.469    0 
-    610000      122000.00      21.504     -48.265     -26.760   3.38 0.286 0.692 0.185 0.487     195.099     250.000       7.583    0 
-    620000      124000.00      27.112     -51.384     -24.272   2.66 0.286 0.714 0.347 0.669     245.970     250.000       6.623    0 
-    630000      126000.00      31.698     -60.094     -28.396   2.62 0.286 0.750 0.281 0.463     287.583     250.000       6.206    0 
-    640000      128000.00      23.808     -52.438     -28.630   2.96 0.429 0.500 0.189 1.208     215.995     250.000       7.101    0 
-    650000      130000.00      22.622     -54.025     -31.403   2.90 0.286 0.733 0.276 0.673     205.241     250.000       6.265    0 
-    660000      132000.00      27.883     -48.899     -21.016   2.91 0.286 0.714 0.201 0.405     252.967     250.000       7.095    0 
-    670000      134000.00      29.554     -57.068     -27.514   3.31 0.357 0.500 0.186 0.400     268.126     250.000       6.751    0 
-    680000      136000.00      22.517     -54.761     -32.244   2.76 0.357 0.615 0.203 0.816     204.284     250.000       6.845    0 
-    690000      138000.00      25.630     -54.690     -29.061   2.90 0.357 0.688 0.287 0.809     232.526     250.000       6.498    0 
-    700000      140000.00      23.753     -52.779     -29.027   2.83 0.429 0.647 0.262 0.489     215.495     250.000       6.921    0 
-    710000      142000.00      23.728     -54.507     -30.779   2.77 0.500 0.462 0.227 0.318     215.275     250.000       6.779    0 
-    720000      144000.00      28.980     -53.247     -24.267   2.77 0.357 0.688 0.196 0.244     262.924     250.000       6.658    0 
-    730000      146000.00      20.889     -47.845     -26.956   3.01 0.286 0.667 0.295 0.659     189.513     250.000       6.339    0 
-    740000      148000.00      26.218     -56.999     -30.781   2.44 0.286 0.692 0.248 0.444     237.860     250.000       6.648    0 
-    750000      150000.00      22.842     -55.934     -33.092   2.76 0.286 0.765 0.396 0.973     207.234     250.000       6.442    0 
-    760000      152000.00      22.845     -60.701     -37.855   2.95 0.357 0.737 0.335 0.642     207.265     250.000       5.994    0 
-    770000      154000.00      28.274     -47.519     -19.246   2.54 0.286 0.500 0.290 0.431     256.512     250.000       6.751    0 
-    780000      156000.00      24.456     -60.369     -35.913   2.87 0.500 0.562 0.301 0.540     221.873     250.000       6.692    0 
-    790000      158000.00      19.707     -54.611     -34.904   2.77 0.500 0.611 0.240 0.566     178.791     250.000       6.658    0 
-    800000      160000.00      27.583     -55.613     -28.030   2.99 0.429 0.538 0.238 0.108     250.246     250.000       6.545    0 
-    810000      162000.00      22.363     -58.325     -35.962   2.84 0.571 0.556 0.331 0.459     202.886     250.000       6.580    0 
-    820000      164000.00      26.912     -52.796     -25.884   3.02 0.429 0.455 0.182 0.682     244.159     250.000       7.347    0 
-    830000      166000.00      26.895     -58.484     -31.588   2.95 0.357 0.688 0.295 0.557     244.008     250.000       6.302    0 
-    840000      168000.00      24.418     -55.040     -30.622   2.84 0.429 0.538 0.231 0.318     221.529     250.000       6.661    0 
-    850000      170000.00      23.878     -43.078     -19.199   5.07 0.214 0.667 0.172 0.642     216.637     250.000       8.155    0 
-    860000      172000.00      20.315     -54.936     -34.621   2.93 0.429 0.625 0.199 0.524     184.306     250.000       7.215    0 
-    870000      174000.00      27.533     -50.274     -22.742   2.89 0.429 0.571 0.273 0.428     249.790     250.000       6.709    0 
-    880000      176000.00      24.578     -56.287     -31.708   2.45 0.429 0.538 0.255 0.515     222.988     250.000       6.670    0 
-    890000      178000.00      23.044     -58.161     -35.116   2.58 0.429 0.625 0.355 0.313     209.070     250.000       6.314    0 
-    900000      180000.00      26.958     -47.229     -20.271   3.11 0.286 0.692 0.245 0.704     244.579     250.000       6.695    0 
-    910000      182000.00      30.932     -51.350     -20.419   3.06 0.357 0.615 0.182 0.716     280.627     250.000       7.156    0 
-    920000      184000.00      24.559     -57.312     -32.753   2.42 0.357 0.583 0.235 0.300     222.813     250.000       6.793    0 
-    930000      186000.00      27.855     -52.766     -24.911   2.44 0.357 0.615 0.213 0.878     252.714     250.000       6.890    0 
-    940000      188000.00      31.466     -52.366     -20.900   3.01 0.500 0.588 0.275 0.665     285.479     250.000       6.584    0 
-    950000      190000.00      22.774     -62.225     -39.451   2.72 0.429 0.500 0.193 0.455     206.620     250.000       6.974    0 
-    960000      192000.00      31.573     -52.673     -21.100   3.31 0.286 0.500 0.165 1.161     286.449     250.000       7.538    0 
-    970000      194000.00      28.928     -51.837     -22.909   2.27 0.500 0.533 0.209 0.647     262.452     250.000       6.861    0 
-    980000      196000.00      22.522     -50.299     -27.777   3.23 0.214 0.700 0.200 0.447     204.330     250.000       7.274    0 
-    990000      198000.00      27.129     -56.950     -29.822   2.89 0.286 0.800 0.366 0.455     246.124     250.000       5.982    0 
-   1000000      200000.00      27.684     -54.393     -26.709   2.79 0.357 0.643 0.286 0.225     251.160     250.000       6.386    0 
+    110000       22000.00      22.432     -46.062     -23.630   4.80 0.286 0.692 0.430 0.601     203.515     250.000       7.973    0 
+    120000       24000.00      26.208     -44.378     -18.170   5.03 0.143 0.857 0.461 0.627     237.771     250.000       8.562    0 
+    130000       26000.00      27.203     -41.060     -13.857   5.00 0.214 0.750 0.496 0.347     246.800     250.000       8.409    0 
+    140000       28000.00      28.692     -40.800     -12.108   4.32 0.214 0.786 0.494 0.497     260.310     250.000       7.948    0 
+    150000       30000.00      25.585     -50.223     -24.637   4.53 0.214 0.800 0.455 0.588     232.121     250.000       7.977    0 
+    160000       32000.00      29.001     -48.222     -19.221   4.77 0.214 0.727 0.500 0.590     263.112     250.000       8.245    0 
+    170000       34000.00      30.628     -37.074      -6.445   4.78 0.143 0.800 0.500 0.761     277.877     250.000       8.389    0 
+    180000       36000.00      20.266     -45.063     -24.798   4.87 0.071 0.909 0.479 0.284     183.861     250.000       8.188    0 
+    190000       38000.00      27.454     -40.851     -13.397   4.30 0.143 0.778 0.500 0.212     249.076     250.000       7.657    0 
+    200000       40000.00      26.318     -46.184     -19.866   4.93 0.214 0.812 0.537 0.665     238.774     250.000       8.332    0 
+    210000       42000.00      29.222     -41.277     -12.054   4.68 0.143 0.800 0.423 0.653     265.119     250.000       8.132    0 
+    220000       44000.00      26.229     -46.601     -20.371   4.51 0.286 0.750 0.486 0.574     237.967     250.000       7.786    0 
+    230000       46000.00      23.528     -35.068     -11.540   4.94 0.071 0.917 0.436 0.460     213.458     250.000       8.494    0 
+    240000       48000.00      20.903     -44.482     -23.579   4.78 0.143 0.800 0.414 0.631     189.645     250.000       8.322    0 
+    250000       50000.00      27.977     -44.768     -16.791   4.54 0.286 0.733 0.473 1.053     253.818     250.000       7.924    0 
+    260000       52000.00      30.114     -41.806     -11.692   5.22 0.143 0.750 0.398 0.273     273.213     250.000       8.901    0 
+    270000       54000.00      26.438     -43.737     -17.299   4.73 0.143 0.818 0.459 0.212     239.863     250.000       8.328    0 
+    280000       56000.00      23.835     -44.846     -21.011   5.10 0.143 0.857 0.506 0.168     216.242     250.000       8.538    0 
+    290000       58000.00      24.577     -39.513     -14.936   5.09 0.143 0.750 0.489 0.260     222.979     250.000       8.354    0 
+    300000       60000.00      25.332     -38.965     -13.633   4.57 0.143 0.778 0.475 0.523     229.826     250.000       8.022    0 
+    310000       62000.00      35.494     -12.505      22.989   4.97 0.071 0.857 0.429 0.531     322.018     300.000       8.148    0 
+    320000       64000.00      33.551     -23.650       9.901   3.77 0.214 0.625 0.188 0.407     304.391     300.000       8.029    0 
+    330000       66000.00      28.515     -27.969       0.545   3.03 0.214 0.727 0.405 0.431     258.700     300.000       7.549    0 
+    340000       68000.00      30.128     -23.781       6.347   2.66 0.214 0.571 0.188 0.733     273.338     300.000       6.939    0 
+    350000       70000.00      21.519     -20.585       0.934   2.79 0.143 0.750 0.256 0.442     195.228     300.000       7.191    0 
+    360000       72000.00      23.794     -35.873     -12.079   2.72 0.357 0.583 0.326 0.335     215.872     300.000       6.791    0 
+    370000       74000.00      31.530     -32.505      -0.975   3.57 0.357 0.688 0.315 0.343     286.060     300.000       6.263    0 
+    380000       76000.00      36.361     -31.200       5.160   3.64 0.357 0.667 0.303 0.308     329.882     300.000       6.277    0 
+    390000       78000.00      31.133     -27.091       4.042   3.40 0.357 0.643 0.321 1.027     282.456     300.000       6.536    0 
+    400000       80000.00      36.076     -24.675      11.401   3.79 0.214 0.786 0.234 0.851     327.300     300.000       6.147    0 
+    410000       82000.00      35.846     -25.387      10.460   4.14 0.571 0.600 0.357 0.434     325.215     290.000       6.397    0 
+    420000       84000.00      30.457     -30.587      -0.130   3.16 0.286 0.600 0.259 0.250     276.323     290.000       6.726    0 
+    430000       86000.00      27.715     -30.705      -2.990   2.57 0.357 0.667 0.279 0.613     251.445     290.000       6.803    0 
+    440000       88000.00      33.818     -33.017       0.801   2.91 0.286 0.733 0.376 0.314     306.818     290.000       6.952    0 
+    450000       90000.00      40.543     -28.707      11.836   2.99 0.286 0.692 0.213 0.189     367.830     290.000       6.730    0 
+    460000       92000.00      28.984     -40.558     -11.574   3.14 0.500 0.462 0.266 0.513     262.957     290.000       7.205    0 
+    470000       94000.00      25.355     -28.785      -3.430   3.04 0.286 0.692 0.210 0.229     230.032     290.000       7.630    0 
+    480000       96000.00      36.933     -30.534       6.399   3.15 0.286 0.636 0.273 0.450     335.077     290.000       7.025    0 
+    490000       98000.00      21.062     -29.156      -8.094   2.93 0.214 0.750 0.220 0.388     191.083     290.000       6.872    0 
+    500000      100000.00      27.229     -20.158       7.070   4.21 0.286 0.333 0.189 0.361     247.032     290.000       8.490    0 
+    510000      102000.00      26.633      -6.463      20.170   4.56 0.143 0.800 0.259 0.493     241.628     320.000       6.640    0 
+    520000      104000.00      32.920     -11.497      21.422   3.83 0.071 0.857 0.305 0.304     298.666     320.000       6.809    0 
+    530000      106000.00      37.621       4.096      41.717   5.11 0.143 0.714 0.156 0.741     341.319     320.000       8.080    0 
+    540000      108000.00      33.413      -8.326      25.088   4.87 0.143 0.714 0.260 0.388     303.144     320.000       7.640    0 
+    550000      110000.00      38.009     -12.135      25.873   4.86 0.214 0.750 0.208 0.392     344.834     320.000       7.173    0 
+    560000      112000.00      44.452      -6.680      37.771   7.16 0.143 0.500 0.170 1.204     403.289     320.000       8.634    0 
+    570000      114000.00      33.343      -8.482      24.861   6.67 0.071 0.833 0.189 0.525     302.508     320.000       9.437    0 
+    580000      116000.00      34.195     -15.364      18.831   4.47 0.143 0.750 0.176 0.429     310.236     320.000       8.270    0 
+    590000      118000.00      39.267     -13.370      25.897   3.94 0.214 0.571 0.234 0.681     356.249     320.000       7.322    0 
+    600000      120000.00      37.221     -14.437      22.784   2.24 0.286 0.429 0.331 0.332     337.690     320.000       7.295    0 
+    610000      122000.00      29.005     -16.919      12.086   2.82 0.357 0.615 0.196 0.435     263.152     310.000       7.074    0 
+    620000      124000.00      33.499     -25.284       8.215   4.12 0.143 0.800 0.314 0.316     303.920     310.000       7.160    0 
+    630000      126000.00      34.656     -14.270      20.386   4.05 0.214 0.500 0.242 0.544     314.414     310.000       7.765    0 
+    640000      128000.00      33.650     -24.812       8.837   2.93 0.143 0.800 0.314 0.411     305.286     310.000       7.056    0 
+    650000      130000.00      34.090     -14.460      19.630   3.06 0.286 0.556 0.333 0.647     309.282     310.000       7.351    0 
+    660000      132000.00      33.743      -6.643      27.100   6.01 0.071 0.833 0.273 0.371     306.132     310.000       7.825    0 
+    670000      134000.00      30.763     -21.092       9.671   3.07 0.357 0.583 0.330 0.374     279.096     310.000       7.334    0 
+    680000      136000.00      31.567     -15.761      15.807   6.44 0.143 0.818 0.207 0.592     286.395     310.000       8.711    0 
+    690000      138000.00      35.945     -31.016       4.929   2.40 0.571 0.385 0.269 0.867     326.108     310.000       6.836    0 
+    700000      140000.00      37.926     -29.749       8.177   2.60 0.143 0.818 0.326 0.374     344.082     310.000       6.763    0 
+    710000      142000.00      22.886     -29.411      -6.525   2.43 0.286 0.600 0.182 0.382     207.629     290.000       6.883    0 
+    720000      144000.00      32.755     -33.441      -0.686   2.99 0.357 0.583 0.220 0.945     297.172     290.000       6.937    0 
+    730000      146000.00      28.906     -36.474      -7.568   2.66 0.357 0.583 0.261 0.197     262.249     290.000       7.006    0 
+    740000      148000.00      25.980     -23.352       2.629   3.30 0.429 0.400 0.241 0.361     235.707     290.000       6.941    0 
+    750000      150000.00      30.897     -39.440      -8.543   3.79 0.214 0.750 0.436 0.255     280.312     290.000       6.773    0 
+    760000      152000.00      29.373     -29.425      -0.052   2.81 0.357 0.706 0.281 0.255     266.486     290.000       6.608    0 
+    770000      154000.00      24.416     -31.006      -6.590   3.80 0.357 0.615 0.255 0.845     221.511     290.000       7.590    0 
+    780000      156000.00      25.451     -21.593       3.858   7.23 0.143 0.750 0.176 0.509     230.908     290.000       8.312    0 
+    790000      158000.00      28.807     -20.198       8.608   3.54 0.143 0.750 0.233 0.563     261.349     290.000       7.737    0 
+    800000      160000.00      32.830     -37.336      -4.505   2.73 0.286 0.733 0.409 0.640     297.852     290.000       6.466    0 
+    810000      162000.00      24.500     -43.427     -18.927   4.34 0.214 0.727 0.178 0.361     222.272     270.000       7.359    0 
+    820000      164000.00      27.801     -40.993     -13.192   2.78 0.357 0.615 0.241 0.922     252.224     270.000       7.009    0 
+    830000      166000.00      27.470     -44.875     -17.405   3.58 0.214 0.824 0.345 1.038     249.223     270.000       6.445    0 
+    840000      168000.00      26.291     -45.304     -19.013   2.81 0.500 0.562 0.216 0.741     238.529     270.000       6.909    0 
+    850000      170000.00      28.847     -41.691     -12.844   3.09 0.357 0.688 0.349 0.521     261.713     270.000       6.657    0 
+    860000      172000.00      26.947     -45.009     -18.062   2.88 0.429 0.571 0.227 0.319     244.476     270.000       6.699    0 
+    870000      174000.00      25.243     -46.643     -21.400   2.76 0.214 0.786 0.308 0.447     229.015     270.000       6.557    0 
+    880000      176000.00      27.477     -41.387     -13.909   3.75 0.429 0.625 0.202 0.526     249.288     270.000       6.813    0 
+    890000      178000.00      24.699     -40.030     -15.331   2.54 0.357 0.643 0.344 0.464     224.085     270.000       6.861    0 
+    900000      180000.00      26.170     -47.545     -21.375   2.99 0.286 0.692 0.346 0.286     237.428     270.000       6.520    0 
+    910000      182000.00      30.146     -38.538      -8.392   2.65 0.286 0.714 0.263 0.448     273.496     280.000       7.070    0 
+    920000      184000.00      25.837     -48.165     -22.328   3.10 0.357 0.737 0.309 0.496     234.408     280.000       6.267    0 
+    930000      186000.00      32.222     -33.537      -1.315   2.66 0.286 0.692 0.224 0.582     292.338     280.000       6.892    0 
+    940000      188000.00      27.288     -27.750      -0.462   3.61 0.214 0.769 0.360 0.559     247.568     280.000       6.855    0 
+    950000      190000.00      32.393     -33.672      -1.278   2.73 0.429 0.500 0.223 0.591     293.890     280.000       7.172    0 
+    960000      192000.00      25.792     -32.950      -7.158   3.52 0.143 0.833 0.383 0.628     233.998     280.000       6.714    0 
+    970000      194000.00      31.545     -38.994      -7.449   3.21 0.429 0.571 0.321 0.305     286.192     280.000       6.620    0 
+    980000      196000.00      36.947     -33.943       3.004   2.85 0.214 0.700 0.268 1.147     335.205     280.000       7.074    0 
+    990000      198000.00      25.127     -37.732     -12.605   2.76 0.286 0.750 0.327 0.515     227.966     280.000       6.543    0 
+   1000000      200000.00      32.838     -29.197       3.640   2.97 0.286 0.636 0.351 0.512     297.920     280.000       6.881    0 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB001.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB001.stat
index d001b11..c9cdab9 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB001.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB001.stat
@@ -29,73 +29,73 @@
     280000       56000.00      28.081     -44.301     -16.221   3.31 0.571 0.500 0.264 0.926     254.763     270.000       6.906    1 
     290000       58000.00      29.472     -46.859     -17.387   3.25 0.214 0.824 0.364 0.367     267.385     270.000       6.350    1 
     300000       60000.00      25.824     -45.596     -19.772   2.98 0.286 0.692 0.280 0.393     234.289     270.000       6.504    1 
-    310000       62000.00      24.801     -52.618     -27.817   3.10 0.571 0.556 0.268 0.320     225.005     250.000       6.688    1 
-    320000       64000.00      22.787     -59.221     -36.434   2.84 0.571 0.429 0.211 0.388     206.731     250.000       6.915    1 
-    330000       66000.00      23.927     -55.369     -31.442   2.99 0.357 0.667 0.255 0.166     217.080     250.000       6.214    1 
-    340000       68000.00      23.034     -52.734     -29.701   3.14 0.500 0.462 0.269 0.313     208.974     250.000       6.859    1 
-    350000       70000.00      26.956     -56.167     -29.211   2.65 0.286 0.733 0.276 0.272     244.560     250.000       6.374    1 
-    360000       72000.00      23.987     -55.358     -31.370   4.28 0.143 0.778 0.172 0.659     217.623     250.000       6.956    1 
-    370000       74000.00      32.230     -52.826     -20.596   2.93 0.357 0.615 0.350 0.188     292.406     250.000       6.122    1 
-    380000       76000.00      28.117     -51.258     -23.142   2.65 0.357 0.643 0.260 0.465     255.088     250.000       6.712    1 
-    390000       78000.00      26.414     -51.194     -24.780   2.62 0.214 0.786 0.295 0.255     239.645     250.000       6.413    1 
-    400000       80000.00      25.760     -47.139     -21.378   2.61 0.357 0.667 0.385 0.263     233.710     250.000       6.567    1 
-    410000       82000.00      26.138     -43.234     -17.097   2.79 0.357 0.545 0.248 0.371     237.134     280.000       6.636    1 
-    420000       84000.00      29.862     -37.633      -7.771   2.97 0.286 0.667 0.212 0.812     270.924     280.000       6.607    1 
-    430000       86000.00      30.517     -38.589      -8.072   2.84 0.571 0.500 0.259 0.349     276.864     280.000       6.571    1 
-    440000       88000.00      34.407     -33.364       1.043   3.47 0.286 0.667 0.330 0.882     312.160     280.000       6.619    1 
-    450000       90000.00      21.200     -42.006     -20.806   3.00 0.429 0.600 0.203 0.166     192.336     280.000       6.783    1 
-    460000       92000.00      32.195     -37.033      -4.838   2.75 0.500 0.417 0.220 0.306     292.088     280.000       7.190    1 
-    470000       94000.00      29.552     -28.464       1.088   3.77 0.357 0.643 0.218 0.141     268.113     280.000       7.372    1 
-    480000       96000.00      29.447     -42.685     -13.238   2.75 0.286 0.636 0.244 0.673     267.162     280.000       6.921    1 
-    490000       98000.00      26.202     -37.617     -11.415   2.88 0.357 0.643 0.250 0.642     237.715     280.000       6.925    1 
-    500000      100000.00      26.553     -33.403      -6.851   3.26 0.500 0.533 0.376 0.628     240.898     280.000       6.678    1 
-    510000      102000.00      38.285     -26.091      12.194   2.91 0.214 0.750 0.341 0.495     347.342     290.000       6.903    1 
-    520000      104000.00      26.311     -30.001      -3.690   3.27 0.357 0.706 0.356 0.312     238.707     290.000       6.718    1 
-    530000      106000.00      35.435     -27.140       8.295   4.80 0.214 0.750 0.242 0.618     321.487     290.000       6.706    1 
-    540000      108000.00      37.833     -36.809       1.025   4.16 0.357 0.500 0.359 0.580     343.243     290.000       6.694    1 
-    550000      110000.00      33.251     -29.887       3.364   3.67 0.286 0.692 0.280 0.358     301.667     290.000       6.313    1 
-    560000      112000.00      31.517     -29.049       2.467   3.72 0.357 0.583 0.205 0.392     285.934     290.000       6.930    1 
-    570000      114000.00      34.390     -33.176       1.215   3.56 0.357 0.722 0.316 0.849     312.005     290.000       6.435    1 
-    580000      116000.00      28.007     -30.867      -2.861   3.74 0.143 0.750 0.210 0.422     254.091     290.000       7.541    1 
-    590000      118000.00      31.817     -26.356       5.462   4.27 0.429 0.647 0.318 0.541     288.665     290.000       6.421    1 
-    600000      120000.00      28.719     -30.742      -2.023   3.76 0.214 0.625 0.222 0.159     260.552     290.000       7.131    1 
-    610000      122000.00      30.898     -12.412      18.486   3.34 0.000 1.000 0.236 0.196     280.327     320.000       7.768    1 
-    620000      124000.00      29.622     -20.757       8.865   3.79 0.143 0.846 0.357 0.717     268.751     320.000       7.294    1 
-    630000      126000.00      23.292     -13.237      10.056   2.92 0.143 0.833 0.227 0.190     211.319     320.000       7.008    1 
-    640000      128000.00      34.305      -2.510      31.795   6.50 0.143 0.750 0.199 0.692     311.229     320.000       8.511    1 
-    650000      130000.00      33.287      -7.386      25.901   5.46 0.286 0.556 0.303 1.024     302.000     320.000       7.408    1 
-    660000      132000.00      36.009      -9.101      26.907   5.64 0.143 0.600 0.182 0.693     326.690     320.000       8.501    1 
-    670000      134000.00      33.937      -0.804      33.133   8.45 0.214 0.250 0.170 1.271     307.892     320.000      11.745    1 
-    680000      136000.00      34.433     -10.160      24.273   6.25 0.214 0.727 0.351 0.768     312.395     320.000       6.569    1 
-    690000      138000.00      31.964      -6.553      25.411   4.64 0.143 0.750 0.261 0.788     289.990     320.000       7.472    1 
-    700000      140000.00      40.323      -7.894      32.429   5.60 0.214 0.667 0.202 0.615     365.834     320.000       7.544    1 
-    710000      142000.00      25.782     -24.113       1.669   2.81 0.286 0.636 0.264 0.371     233.909     310.000       6.905    1 
-    720000      144000.00      39.287     -11.424      27.863   6.16 0.214 0.667 0.247 0.507     356.429     310.000       8.094    1 
-    730000      146000.00      32.701     -19.131      13.570   3.98 0.286 0.692 0.220 1.095     296.683     310.000       7.397    1 
-    740000      148000.00      37.138      -8.293      28.845   5.98 0.143 0.667 0.197 0.474     336.935     310.000       8.634    1 
-    750000      150000.00      27.048     -13.213      13.835   5.75 0.214 0.625 0.170 1.226     245.397     310.000       9.719    1 
-    760000      152000.00      36.384     -23.367      13.018   3.26 0.286 0.600 0.223 0.211     330.096     310.000       7.406    1 
-    770000      154000.00      35.289     -13.383      21.906   3.47 0.214 0.700 0.255 1.189     320.158     310.000       7.382    1 
-    780000      156000.00      41.500     -27.634      13.865   3.61 0.429 0.647 0.294 0.322     376.508     310.000       6.310    1 
-    790000      158000.00      25.974     -26.652      -0.678   2.53 0.286 0.556 0.192 0.816     235.650     310.000       7.137    1 
-    800000      160000.00      43.854     -24.556      19.298   3.65 0.286 0.667 0.261 0.218     397.863     310.000       6.360    1 
-    810000      162000.00      31.455     -16.270      15.186   3.37 0.357 0.545 0.211 0.703     285.380     310.000       7.117    1 
-    820000      164000.00      31.055     -22.103       8.952   6.16 0.286 0.600 0.177 1.749     281.750     310.000       7.919    1 
-    830000      166000.00      33.888     -20.389      13.498   3.26 0.143 0.750 0.273 0.325     307.446     310.000       7.168    1 
-    840000      168000.00      31.853     -30.374       1.478   2.71 0.357 0.667 0.297 0.780     288.984     310.000       6.824    1 
-    850000      170000.00      30.708     -18.159      12.549   3.85 0.143 0.833 0.265 1.007     278.602     310.000       7.508    1 
-    860000      172000.00      25.282     -14.258      11.024   7.15 0.071 0.923 0.255 1.045     229.374     310.000       7.125    1 
-    870000      174000.00      23.181     -24.333      -1.152   3.29 0.286 0.667 0.201 0.167     210.308     310.000       7.153    1 
-    880000      176000.00      36.749     -17.037      19.712   2.93 0.286 0.636 0.223 0.814     333.406     310.000       7.358    1 
-    890000      178000.00      32.402     -17.594      14.808   3.53 0.286 0.714 0.256 0.764     293.965     310.000       6.604    1 
-    900000      180000.00      27.122     -17.856       9.266   2.94 0.214 0.700 0.255 0.284     246.067     310.000       7.023    1 
-    910000      182000.00      33.592     -27.410       6.181   2.77 0.429 0.500 0.277 0.371     304.761     310.000       6.865    1 
-    920000      184000.00      35.910     -23.038      12.872   4.43 0.214 0.727 0.335 0.605     325.793     310.000       6.351    1 
-    930000      186000.00      30.262     -11.534      18.728   5.74 0.286 0.556 0.263 0.961     274.549     310.000       7.233    1 
-    940000      188000.00      34.637     -14.407      20.230   4.17 0.214 0.786 0.266 0.112     314.244     310.000       6.876    1 
-    950000      190000.00      23.215     -20.379       2.837   4.28 0.357 0.688 0.216 0.912     210.622     310.000       7.014    1 
-    960000      192000.00      28.626     -21.866       6.760   4.94 0.214 0.727 0.219 0.416     259.708     310.000       7.978    1 
-    970000      194000.00      23.875     -12.063      11.812   5.96 0.071 0.889 0.192 0.574     216.608     310.000       8.272    1 
-    980000      196000.00      33.347     -10.923      22.424   4.95 0.143 0.800 0.232 0.386     302.544     310.000       6.517    1 
-    990000      198000.00      35.749     -14.215      21.534   5.23 0.214 0.727 0.269 0.593     324.336     310.000       6.815    1 
-   1000000      200000.00      29.738     -16.447      13.291   4.48 0.143 0.875 0.270 0.268     269.802     310.000       6.841    1 
+    310000       62000.00      31.841     -35.184      -3.343   5.27 0.214 0.571 0.182 0.348     288.877     280.000       8.276    1 
+    320000       64000.00      23.578     -42.045     -18.467   2.71 0.357 0.615 0.248 0.334     213.911     280.000       6.896    1 
+    330000       66000.00      28.180     -40.197     -12.017   2.73 0.286 0.667 0.318 0.516     255.660     280.000       6.633    1 
+    340000       68000.00      26.910     -33.585      -6.675   2.63 0.143 0.714 0.247 0.465     244.138     280.000       7.047    1 
+    350000       70000.00      29.740     -38.055      -8.315   2.82 0.357 0.667 0.179 0.421     269.813     280.000       7.130    1 
+    360000       72000.00      26.068     -31.181      -5.113   2.51 0.429 0.625 0.284 0.756     236.500     280.000       6.965    1 
+    370000       74000.00      36.278     -33.807       2.471   3.04 0.357 0.583 0.186 0.296     329.133     280.000       7.188    1 
+    380000       76000.00      32.882     -36.774      -3.891   5.12 0.286 0.692 0.175 0.432     298.326     280.000       8.281    1 
+    390000       78000.00      28.788     -34.758      -5.970   3.37 0.286 0.600 0.164 0.307     261.182     280.000       7.592    1 
+    400000       80000.00      29.923     -29.408       0.515   3.07 0.429 0.400 0.173 0.670     271.477     280.000       7.616    1 
+    410000       82000.00      26.847     -37.433     -10.585   2.91 0.357 0.706 0.340 0.350     243.573     280.000       6.546    1 
+    420000       84000.00      28.314     -29.564      -1.250   2.87 0.286 0.600 0.373 0.588     256.882     280.000       7.381    1 
+    430000       86000.00      31.012     -38.021      -7.009   2.70 0.286 0.692 0.248 0.485     281.359     280.000       6.953    1 
+    440000       88000.00      32.770     -31.574       1.196   2.45 0.286 0.667 0.242 0.714     297.309     280.000       6.533    1 
+    450000       90000.00      21.235     -35.049     -13.814   2.74 0.286 0.500 0.256 0.085     192.651     280.000       7.179    1 
+    460000       92000.00      31.923     -37.178      -5.255   3.01 0.357 0.615 0.220 0.525     289.623     280.000       6.998    1 
+    470000       94000.00      28.750     -33.356      -4.606   3.08 0.286 0.667 0.246 0.637     260.833     280.000       7.325    1 
+    480000       96000.00      27.318     -26.929       0.389   4.13 0.286 0.500 0.176 0.369     247.843     280.000       7.902    1 
+    490000       98000.00      26.695     -37.027     -10.332   3.82 0.214 0.625 0.193 0.411     242.193     280.000       7.347    1 
+    500000      100000.00      28.025     -39.398     -11.373   2.92 0.429 0.538 0.210 0.547     254.255     280.000       7.088    1 
+    510000      102000.00      35.034     -27.786       7.248   3.15 0.214 0.727 0.281 0.962     317.847     280.000       6.584    1 
+    520000      104000.00      25.883     -29.745      -3.862   3.04 0.357 0.583 0.223 0.601     234.824     280.000       7.017    1 
+    530000      106000.00      31.587     -34.679      -3.092   2.76 0.286 0.667 0.269 0.625     286.575     280.000       6.613    1 
+    540000      108000.00      33.741     -36.174      -2.433   2.46 0.286 0.733 0.279 0.873     306.116     280.000       6.551    1 
+    550000      110000.00      30.837     -41.063     -10.226   3.05 0.286 0.692 0.392 0.501     279.765     280.000       6.819    1 
+    560000      112000.00      27.434     -33.728      -6.293   3.36 0.286 0.750 0.298 0.379     248.900     280.000       6.391    1 
+    570000      114000.00      34.191     -43.603      -9.413   3.27 0.286 0.692 0.290 0.428     310.195     280.000       6.302    1 
+    580000      116000.00      25.979     -37.452     -11.473   3.33 0.357 0.722 0.369 0.479     235.692     280.000       6.272    1 
+    590000      118000.00      30.220     -43.029     -12.809   3.12 0.357 0.737 0.373 0.468     274.175     280.000       6.256    1 
+    600000      120000.00      27.847     -32.531      -4.684   2.69 0.286 0.667 0.277 0.531     252.641     280.000       6.532    1 
+    610000      122000.00      25.241     -44.082     -18.841   3.26 0.357 0.643 0.253 0.336     228.999     280.000       7.280    1 
+    620000      124000.00      25.770     -39.836     -14.066   2.68 0.214 0.769 0.311 0.458     233.796     280.000       6.423    1 
+    630000      126000.00      17.287     -36.359     -19.071   2.50 0.286 0.714 0.308 0.689     156.840     280.000       6.748    1 
+    640000      128000.00      29.162     -35.337      -6.175   2.94 0.357 0.706 0.270 0.638     264.569     280.000       6.327    1 
+    650000      130000.00      29.708     -46.180     -16.472   2.79 0.357 0.706 0.337 0.200     269.528     280.000       6.725    1 
+    660000      132000.00      29.964     -45.285     -15.321   2.57 0.429 0.600 0.285 0.662     271.848     280.000       6.740    1 
+    670000      134000.00      31.705     -38.555      -6.850   2.71 0.357 0.643 0.250 0.577     287.644     280.000       6.646    1 
+    680000      136000.00      31.662     -38.209      -6.548   2.95 0.357 0.643 0.231 1.240     287.252     280.000       7.284    1 
+    690000      138000.00      27.414     -37.702     -10.287   2.65 0.286 0.636 0.318 0.267     248.718     280.000       6.815    1 
+    700000      140000.00      34.622     -40.416      -5.794   3.29 0.357 0.667 0.373 0.219     314.107     280.000       6.371    1 
+    710000      142000.00      25.070     -12.509      12.561   3.50 0.214 0.571 0.325 0.417     227.449     310.000       7.319    1 
+    720000      144000.00      37.495      -5.209      32.286   5.03 0.143 0.333 0.197 1.309     340.174     310.000       9.912    1 
+    730000      146000.00      35.551     -22.339      13.212   3.72 0.071 0.875 0.409 0.327     322.536     310.000       7.003    1 
+    740000      148000.00      37.114     -14.749      22.365   4.73 0.286 0.556 0.187 1.020     336.720     310.000       7.900    1 
+    750000      150000.00      24.753     -21.989       2.764   5.50 0.214 0.667 0.177 0.460     224.568     310.000       8.544    1 
+    760000      152000.00      36.076     -16.641      19.436   2.78 0.286 0.429 0.169 0.789     327.302     310.000       7.475    1 
+    770000      154000.00      33.890     -12.258      21.632   3.66 0.143 0.800 0.277 1.077     307.470     310.000       7.567    1 
+    780000      156000.00      41.447     -18.729      22.719   3.39 0.143 0.667 0.167 0.487     376.032     310.000       7.725    1 
+    790000      158000.00      25.962     -17.914       8.048   3.36 0.214 0.625 0.233 0.395     235.537     310.000       7.556    1 
+    800000      160000.00      44.051     -18.077      25.974   3.66 0.286 0.636 0.227 0.415     399.653     310.000       6.881    1 
+    810000      162000.00      32.153     -20.060      12.093   2.91 0.357 0.500 0.191 1.026     291.704     310.000       7.149    1 
+    820000      164000.00      34.569     -11.508      23.061   5.80 0.000 1.000 0.159 0.836     313.628     310.000       9.449    1 
+    830000      166000.00      31.564     -19.593      11.971   3.77 0.214 0.667 0.273 0.563     286.360     310.000       7.103    1 
+    840000      168000.00      34.589     -10.829      23.760   4.10 0.214 0.571 0.208 1.110     313.810     310.000       7.763    1 
+    850000      170000.00      29.364     -14.339      15.025   5.73 0.214 0.700 0.177 1.483     266.408     310.000       8.359    1 
+    860000      172000.00      26.484     -18.300       8.183   3.17 0.286 0.692 0.297 1.145     240.276     310.000       7.336    1 
+    870000      174000.00      21.550     -22.757      -1.207   3.70 0.214 0.800 0.406 0.634     195.510     310.000       6.781    1 
+    880000      176000.00      36.168     -18.591      17.577   2.78 0.357 0.444 0.247 0.301     328.139     310.000       7.483    1 
+    890000      178000.00      30.479     -21.807       8.672   5.11 0.071 0.923 0.336 0.763     276.523     310.000       6.268    1 
+    900000      180000.00      25.627     -11.982      13.645   4.67 0.286 0.714 0.295 0.253     232.497     310.000       6.674    1 
+    910000      182000.00      34.261     -15.627      18.634   4.41 0.286 0.600 0.286 0.376     310.835     320.000       6.834    1 
+    920000      184000.00      37.827     -11.629      26.198   5.76 0.214 0.571 0.227 0.242     343.188     320.000       8.190    1 
+    930000      186000.00      35.221      -1.831      33.390   4.69 0.143 0.500 0.443 0.274     319.543     320.000       8.031    1 
+    940000      188000.00      34.863      -9.504      25.360   5.12 0.000 1.000 0.260 0.266     316.299     320.000       7.536    1 
+    950000      190000.00      23.417      -9.681      13.735   5.83 0.143 0.833 0.367 0.411     212.449     320.000       8.307    1 
+    960000      192000.00      28.277     -10.327      17.951   3.42 0.214 0.727 0.194 0.239     256.548     320.000       7.630    1 
+    970000      194000.00      25.227      -3.768      21.458   7.22 0.214 0.750 0.189 0.324     228.868     320.000       8.449    1 
+    980000      196000.00      32.612      -6.894      25.718   8.17 0.143 0.600 0.173 0.523     295.872     320.000       9.831    1 
+    990000      198000.00      37.295      -4.851      32.445   4.19 0.214 0.571 0.221 0.668     338.364     320.000       8.022    1 
+   1000000      200000.00      29.215      -9.865      19.349   5.83 0.214 0.700 0.245 0.498     265.050     320.000       7.342    1 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB002.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB002.stat
index dfaf812..59c8891 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB002.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB002.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.870     116.753     144.623  12.87 0.000   NaN   NaN 4.851     252.851     250.000      15.552    2 
-     10000        2000.00      22.366     -51.986     -29.620   3.83 0.286 0.714 0.211 0.475     202.919     250.000       6.925    2 
-     20000        4000.00      32.584     -48.798     -16.214   3.83 0.286 0.714 0.295 0.226     295.619     250.000       6.258    2 
-     30000        6000.00      27.475     -46.535     -19.059   4.11 0.429 0.600 0.309 0.524     249.271     250.000       6.550    2 
-     40000        8000.00      24.315     -51.853     -27.538   4.02 0.357 0.688 0.276 0.504     220.597     250.000       6.501    2 
-     50000       10000.00      29.349     -49.153     -19.805   3.85 0.286 0.714 0.367 0.409     266.267     250.000       6.371    2 
-     60000       12000.00      25.747     -51.294     -25.546   4.53 0.286 0.692 0.378 0.381     233.591     250.000       6.127    2 
-     70000       14000.00      19.248     -41.013     -21.766   4.75 0.357 0.643 0.208 0.485     174.624     250.000       7.071    2 
-     80000       16000.00      29.010     -46.338     -17.329   3.26 0.429 0.625 0.318 1.037     263.191     250.000       6.828    2 
-     90000       18000.00      22.630     -51.794     -29.165   3.39 0.357 0.688 0.364 0.343     205.307     250.000       6.384    2 
-    100000       20000.00      23.417     -44.072     -20.656   4.02 0.286 0.733 0.370 0.729     212.447     250.000       6.389    2 
-    110000       22000.00      24.116     -44.532     -20.416   3.29 0.357 0.583 0.337 0.382     218.794     260.000       6.546    2 
-    120000       24000.00      32.241     -45.158     -12.916   4.17 0.429 0.600 0.264 0.522     292.509     260.000       6.739    2 
-    130000       26000.00      30.668     -38.195      -7.527   4.59 0.429 0.667 0.308 0.269     278.237     260.000       6.166    2 
-    140000       28000.00      29.272     -41.588     -12.316   3.90 0.429 0.538 0.325 0.727     265.572     260.000       6.425    2 
-    150000       30000.00      23.122     -31.428      -8.306   2.95 0.357 0.545 0.277 0.450     209.779     260.000       6.817    2 
-    160000       32000.00      31.918     -47.988     -16.071   4.02 0.357 0.667 0.282 0.601     289.572     260.000       7.197    2 
-    170000       34000.00      25.074     -34.613      -9.539   3.79 0.214 0.750 0.314 0.839     227.482     260.000       6.645    2 
-    180000       36000.00      25.871     -53.060     -27.189   4.00 0.286 0.733 0.342 0.380     234.714     260.000       6.401    2 
-    190000       38000.00      21.152     -38.950     -17.799   4.07 0.429 0.538 0.280 0.440     191.899     260.000       6.742    2 
-    200000       40000.00      27.266     -45.325     -18.059   4.12 0.429 0.667 0.351 0.536     247.371     260.000       6.165    2 
-    210000       42000.00      36.833     -33.732       3.101   4.52 0.357 0.643 0.266 0.354     334.170     280.000       6.476    2 
-    220000       44000.00      31.165     -40.851      -9.686   3.76 0.286 0.778 0.361 0.936     282.749     280.000       6.158    2 
-    230000       46000.00      22.669     -24.209      -1.540   4.00 0.214 0.786 0.250 0.976     205.666     280.000       6.540    2 
-    240000       48000.00      23.658     -31.220      -7.563   5.93 0.071 0.900 0.273 0.763     214.635     280.000       7.357    2 
-    250000       50000.00      25.237     -27.559      -2.322   3.62 0.143 0.750 0.369 0.350     228.962     280.000       6.860    2 
-    260000       52000.00      31.044     -31.342      -0.297   4.57 0.214 0.750 0.227 0.309     281.648     280.000       7.033    2 
-    270000       54000.00      31.138     -39.345      -8.208   4.06 0.214 0.824 0.307 0.634     282.499     280.000       6.407    2 
-    280000       56000.00      24.979     -31.811      -6.832   6.43 0.071 0.900 0.236 0.291     226.619     280.000       7.251    2 
-    290000       58000.00      25.824     -33.059      -7.234   5.46 0.071 0.900 0.159 0.840     234.293     280.000       7.597    2 
-    300000       60000.00      22.468     -34.313     -11.846   6.46 0.143 0.800 0.218 0.357     203.837     280.000       7.426    2 
-    310000       62000.00      24.853     -38.030     -13.177   6.04 0.214 0.667 0.217 0.670     225.484     270.000       7.329    2 
-    320000       64000.00      30.398     -38.195      -7.796   6.13 0.214 0.769 0.245 0.412     275.790     270.000       7.602    2 
-    330000       66000.00      20.024     -40.861     -20.837   4.85 0.286 0.714 0.240 0.446     181.668     270.000       6.737    2 
-    340000       68000.00      28.621     -37.890      -9.270   4.39 0.143 0.867 0.239 0.398     259.660     270.000       6.762    2 
-    350000       70000.00      28.465     -32.017      -3.552   5.89 0.214 0.700 0.218 0.321     258.253     270.000       6.955    2 
-    360000       72000.00      30.928     -40.213      -9.285   4.71 0.000 1.000 0.190 0.252     280.597     270.000       7.049    2 
-    370000       74000.00      30.121     -42.066     -11.945   5.77 0.214 0.769 0.210 0.876     273.270     270.000       7.395    2 
-    380000       76000.00      31.138     -39.525      -8.387   5.50 0.143 0.833 0.208 0.368     282.502     270.000       7.272    2 
-    390000       78000.00      34.813     -37.558      -2.745   4.98 0.143 0.875 0.256 0.535     315.841     270.000       7.081    2 
-    400000       80000.00      27.877     -33.600      -5.723   6.26 0.143 0.833 0.212 0.217     252.919     270.000       7.218    2 
-    410000       82000.00      31.223     -35.440      -4.217   6.18 0.143 0.846 0.227 0.915     283.275     270.000       7.197    2 
-    420000       84000.00      31.449     -43.343     -11.893   3.47 0.286 0.789 0.356 0.770     285.323     270.000       6.160    2 
-    430000       86000.00      31.849     -42.370     -10.521   3.67 0.214 0.800 0.276 0.330     288.951     270.000       6.361    2 
-    440000       88000.00      26.394     -40.340     -13.945   4.93 0.143 0.867 0.264 0.592     239.461     270.000       6.653    2 
-    450000       90000.00      35.290     -42.194      -6.904   5.33 0.143 0.833 0.254 0.638     320.172     270.000       7.494    2 
-    460000       92000.00      29.494     -37.140      -7.645   5.67 0.214 0.812 0.205 0.688     267.585     270.000       7.442    2 
-    470000       94000.00      29.585     -41.140     -11.555   6.07 0.143 0.846 0.238 0.700     268.412     270.000       7.416    2 
-    480000       96000.00      23.158     -32.349      -9.191   6.55 0.071 0.833 0.212 0.553     210.104     270.000       7.545    2 
-    490000       98000.00      29.691     -38.350      -8.659   4.53 0.000 1.000 0.285 0.167     269.371     270.000       6.182    2 
-    500000      100000.00      32.500     -38.814      -6.314   3.59 0.286 0.692 0.224 0.795     294.856     270.000       6.413    2 
-    510000      102000.00      28.870     -44.101     -15.231   3.61 0.214 0.750 0.269 0.729     261.926     270.000       6.316    2 
-    520000      104000.00      27.432     -36.694      -9.262   3.70 0.214 0.800 0.279 0.639     248.875     270.000       6.767    2 
-    530000      106000.00      30.351     -31.927      -1.576   3.96 0.143 0.800 0.309 0.309     275.357     270.000       6.418    2 
-    540000      108000.00      23.588     -39.183     -15.595   3.80 0.286 0.750 0.378 0.923     214.004     270.000       6.201    2 
-    550000      110000.00      30.947     -37.717      -6.771   5.01 0.071 0.929 0.208 0.318     280.763     270.000       7.396    2 
-    560000      112000.00      24.992     -40.576     -15.584   3.56 0.286 0.733 0.342 1.114     226.740     270.000       6.190    2 
-    570000      114000.00      32.701     -37.073      -4.371   4.24 0.214 0.750 0.284 0.251     296.683     270.000       6.845    2 
-    580000      116000.00      27.475     -41.111     -13.636   3.73 0.214 0.800 0.297 0.732     249.270     270.000       6.319    2 
-    590000      118000.00      32.064     -39.264      -7.201   3.51 0.286 0.765 0.305 0.833     290.899     270.000       6.124    2 
-    600000      120000.00      31.450     -40.207      -8.757   4.09 0.214 0.800 0.297 0.687     285.329     270.000       6.287    2 
-    610000      122000.00      24.055     -39.792     -15.736   3.52 0.143 0.846 0.332 0.799     218.242     270.000       6.333    2 
-    620000      124000.00      22.223     -43.435     -21.212   3.46 0.143 0.846 0.350 0.393     201.622     270.000       6.180    2 
-    630000      126000.00      26.319     -36.905     -10.586   4.17 0.214 0.786 0.308 0.388     238.779     270.000       6.459    2 
-    640000      128000.00      30.360     -39.472      -9.112   3.83 0.214 0.769 0.276 0.584     275.438     270.000       6.502    2 
-    650000      130000.00      26.196     -33.584      -7.388   4.07 0.214 0.750 0.333 0.794     237.667     270.000       6.519    2 
-    660000      132000.00      31.174     -41.476     -10.302   3.49 0.071 0.929 0.351 0.476     282.831     270.000       6.337    2 
-    670000      134000.00      30.896     -48.754     -17.858   3.80 0.214 0.842 0.337 0.507     280.304     270.000       6.047    2 
-    680000      136000.00      28.968     -31.891      -2.924   3.91 0.143 0.833 0.258 0.329     262.810     270.000       6.615    2 
-    690000      138000.00      24.784     -35.125     -10.341   5.46 0.143 0.833 0.197 0.431     224.850     270.000       7.139    2 
-    700000      140000.00      28.590     -30.980      -2.390   5.80 0.071 0.900 0.205 0.523     259.386     270.000       7.279    2 
-    710000      142000.00      31.123     -20.536      10.586   6.35 0.000 1.000 0.273 0.559     282.363     290.000       7.611    2 
-    720000      144000.00      21.662     -24.830      -3.168   6.28 0.000 1.000 0.259 0.368     196.526     290.000       7.791    2 
-    730000      146000.00      28.263     -20.277       7.986   6.06 0.000 1.000 0.356 0.400     256.412     290.000       7.169    2 
-    740000      148000.00      27.128     -31.931      -4.804   5.56 0.143 0.800 0.227 0.537     246.115     290.000       7.314    2 
-    750000      150000.00      29.062     -32.665      -3.603   4.91 0.143 0.875 0.281 0.219     263.662     290.000       6.701    2 
-    760000      152000.00      26.261     -26.503      -0.242   5.71 0.214 0.667 0.212 0.332     238.253     290.000       7.476    2 
-    770000      154000.00      21.375     -21.982      -0.606   5.68 0.071 0.923 0.276 0.161     193.929     290.000       7.515    2 
-    780000      156000.00      30.190     -21.900       8.291   5.46 0.214 0.750 0.227 0.296     273.901     290.000       6.619    2 
-    790000      158000.00      27.904     -15.924      11.980   6.56 0.000 1.000 0.303 0.834     253.162     290.000       8.101    2 
-    800000      160000.00      27.652     -21.300       6.352   4.26 0.071 0.833 0.205 0.496     250.871     290.000       7.473    2 
-    810000      162000.00      32.394     -21.958      10.436   3.58 0.286 0.556 0.359 0.254     293.895     310.000       6.954    2 
-    820000      164000.00      32.504     -21.274      11.230   3.94 0.286 0.600 0.177 0.539     294.895     310.000       7.577    2 
-    830000      166000.00      31.627     -13.655      17.973   3.43 0.143 0.778 0.348 1.000     286.940     310.000       7.379    2 
-    840000      168000.00      35.100     -22.013      13.087   3.28 0.143 0.833 0.345 0.789     318.442     310.000       6.670    2 
-    850000      170000.00      34.753     -31.186       3.567   3.66 0.143 0.833 0.311 0.388     315.300     310.000       6.642    2 
-    860000      172000.00      33.379     -15.525      17.854   4.61 0.143 0.778 0.172 0.508     302.835     310.000       7.803    2 
-    870000      174000.00      26.536     -18.698       7.837   3.42 0.214 0.571 0.247 0.129     240.747     310.000       7.477    2 
-    880000      176000.00      29.618     -22.725       6.893   4.47 0.143 0.778 0.167 0.873     268.705     310.000       8.514    2 
-    890000      178000.00      28.351     -21.104       7.248   3.55 0.214 0.667 0.182 0.633     257.218     310.000       7.446    2 
-    900000      180000.00      27.628     -19.393       8.234   3.90 0.071 0.909 0.302 1.893     250.651     310.000       7.004    2 
-    910000      182000.00      38.603     -15.249      23.354   3.50 0.214 0.700 0.173 0.700     350.229     310.000       7.808    2 
-    920000      184000.00      25.056     -23.061       1.995   6.40 0.143 0.857 0.276 0.596     227.317     310.000       6.877    2 
-    930000      186000.00      29.715     -19.885       9.830   3.19 0.286 0.556 0.227 0.303     269.589     310.000       7.177    2 
-    940000      188000.00      36.014     -10.596      25.418   3.60 0.214 0.700 0.205 0.968     326.736     310.000       7.608    2 
-    950000      190000.00      28.096     -23.741       4.355   3.86 0.286 0.750 0.381 0.236     254.902     310.000       6.673    2 
-    960000      192000.00      26.324     -21.847       4.477   2.98 0.286 0.636 0.281 0.645     238.822     310.000       6.849    2 
-    970000      194000.00      27.985     -23.985       4.000   4.26 0.214 0.750 0.265 0.596     253.897     310.000       7.168    2 
-    980000      196000.00      35.076     -19.254      15.823   3.59 0.143 0.800 0.286 0.612     318.230     310.000       6.671    2 
-    990000      198000.00      31.127     -22.595       8.532   3.46 0.286 0.692 0.210 0.738     282.402     310.000       7.228    2 
-   1000000      200000.00      38.297     -15.963      22.334   4.26 0.357 0.667 0.324 0.381     347.453     310.000       7.089    2 
+         0           0.00      28.985     116.457     145.442  12.87 0.000   NaN   NaN 4.851     262.966     260.000      15.552    2 
+     10000        2000.00      26.716     -37.141     -10.425   4.81 0.357 0.615 0.437 0.475     242.381     260.000       6.600    2 
+     20000        4000.00      31.631     -31.268       0.363   4.68 0.214 0.750 0.383 0.696     286.972     260.000       6.730    2 
+     30000        6000.00      31.143     -32.371      -1.228   4.99 0.286 0.750 0.418 0.479     282.543     260.000       6.543    2 
+     40000        8000.00      23.728     -30.466      -6.738   4.92 0.429 0.571 0.399 0.115     215.271     260.000       7.163    2 
+     50000       10000.00      27.965     -32.466      -4.501   5.79 0.286 0.733 0.361 0.378     253.717     260.000       7.355    2 
+     60000       12000.00      27.790     -38.271     -10.481   5.97 0.143 0.875 0.443 0.929     252.126     260.000       7.277    2 
+     70000       14000.00      18.949     -34.858     -15.909   5.96 0.143 0.818 0.364 0.395     171.913     260.000       7.361    2 
+     80000       16000.00      30.393     -40.173      -9.781   6.00 0.071 0.923 0.430 0.318     275.738     260.000       7.602    2 
+     90000       18000.00      22.294     -45.826     -23.532   5.11 0.286 0.600 0.186 0.470     202.262     260.000       7.830    2 
+    100000       20000.00      26.187     -50.447     -24.260   4.50 0.286 0.600 0.186 0.541     237.584     260.000       7.710    2 
+    110000       22000.00      28.207     -43.588     -15.380   3.84 0.214 0.727 0.194 0.492     255.912     260.000       7.105    2 
+    120000       24000.00      29.765     -39.210      -9.444   3.94 0.357 0.667 0.306 0.412     270.047     260.000       6.433    2 
+    130000       26000.00      31.878     -52.132     -20.254   3.72 0.357 0.750 0.373 0.301     289.215     260.000       6.455    2 
+    140000       28000.00      26.482     -44.331     -17.848   6.67 0.214 0.700 0.177 0.509     240.262     260.000       8.281    2 
+    150000       30000.00      25.504     -45.599     -20.095   6.78 0.214 0.667 0.182 1.367     231.388     260.000       8.420    2 
+    160000       32000.00      28.976     -43.381     -14.405   6.38 0.214 0.727 0.186 0.194     262.884     260.000       8.272    2 
+    170000       34000.00      25.008     -41.298     -16.290   3.82 0.143 0.778 0.268 0.508     226.890     260.000       6.863    2 
+    180000       36000.00      24.692     -41.498     -16.806   4.08 0.143 0.846 0.357 0.290     224.019     260.000       6.614    2 
+    190000       38000.00      21.372     -36.534     -15.162   5.82 0.286 0.636 0.182 0.527     193.897     260.000       7.844    2 
+    200000       40000.00      29.025     -48.152     -19.127   4.74 0.286 0.600 0.173 0.388     263.333     260.000       7.523    2 
+    210000       42000.00      34.752     -48.185     -13.433   4.16 0.143 0.857 0.334 0.629     315.285     260.000       6.217    2 
+    220000       44000.00      31.368     -48.862     -17.495   4.24 0.214 0.769 0.220 0.346     284.583     260.000       6.739    2 
+    230000       46000.00      22.688     -49.136     -26.448   5.35 0.357 0.615 0.175 0.690     205.837     260.000       7.789    2 
+    240000       48000.00      27.301     -46.765     -19.465   6.21 0.143 0.800 0.186 0.267     247.685     260.000       7.964    2 
+    250000       50000.00      21.042     -47.754     -26.712   6.10 0.214 0.667 0.172 0.656     190.907     260.000       8.112    2 
+    260000       52000.00      29.742     -51.932     -22.190   5.58 0.286 0.636 0.182 0.521     269.836     260.000       8.212    2 
+    270000       54000.00      27.791     -49.650     -21.859   7.15 0.214 0.625 0.182 0.602     252.134     260.000       8.611    2 
+    280000       56000.00      21.478     -38.836     -17.358   4.24 0.143 0.818 0.318 0.517     194.863     260.000       6.594    2 
+    290000       58000.00      24.344     -43.050     -18.707   4.35 0.143 0.818 0.215 0.642     220.858     260.000       6.785    2 
+    300000       60000.00      20.095     -41.594     -21.500   6.34 0.143 0.778 0.177 0.560     182.309     260.000       8.532    2 
+    310000       62000.00      23.872     -44.237     -20.365   6.39 0.143 0.750 0.182 0.333     216.581     260.000       8.372    2 
+    320000       64000.00      26.987     -49.767     -22.780   6.31 0.214 0.667 0.172 0.490     244.839     260.000       8.036    2 
+    330000       66000.00      20.980     -46.532     -25.552   5.39 0.214 0.700 0.186 0.351     190.344     260.000       7.775    2 
+    340000       68000.00      28.045     -47.472     -19.427   5.19 0.286 0.636 0.165 0.420     254.437     260.000       7.846    2 
+    350000       70000.00      24.663     -44.078     -19.415   4.64 0.214 0.750 0.186 1.031     223.754     260.000       7.520    2 
+    360000       72000.00      27.427     -42.167     -14.740   6.42 0.214 0.625 0.176 0.470     248.831     260.000       8.413    2 
+    370000       74000.00      31.015     -42.783     -11.768   4.33 0.143 0.846 0.315 0.854     281.385     260.000       6.711    2 
+    380000       76000.00      29.433     -44.689     -15.256   3.93 0.286 0.692 0.266 0.331     267.033     260.000       6.841    2 
+    390000       78000.00      32.338     -41.746      -9.408   4.25 0.286 0.600 0.209 0.632     293.387     260.000       7.025    2 
+    400000       80000.00      27.448     -45.482     -18.035   6.79 0.214 0.667 0.172 0.892     249.018     260.000       8.475    2 
+    410000       82000.00      28.351     -47.206     -18.855   4.08 0.286 0.692 0.276 0.414     257.217     260.000       6.654    2 
+    420000       84000.00      29.399     -41.668     -12.269   6.61 0.143 0.778 0.182 0.971     266.724     260.000       8.315    2 
+    430000       86000.00      30.835     -45.689     -14.854   3.91 0.143 0.833 0.246 0.409     279.752     260.000       6.817    2 
+    440000       88000.00      26.978     -43.200     -16.222   5.68 0.143 0.778 0.172 0.543     244.761     260.000       7.897    2 
+    450000       90000.00      32.301     -35.008      -2.707   6.09 0.357 0.500 0.173 0.384     293.053     260.000       8.434    2 
+    460000       92000.00      30.028     -46.970     -16.942   4.06 0.214 0.800 0.358 0.478     272.433     260.000       6.261    2 
+    470000       94000.00      28.808     -36.444      -7.636   7.04 0.214 0.786 0.175 0.925     261.359     260.000       8.218    2 
+    480000       96000.00      24.063     -37.210     -13.146   6.72 0.143 0.778 0.167 0.517     218.314     260.000       8.260    2 
+    490000       98000.00      28.334     -39.408     -11.074   6.36 0.143 0.778 0.197 0.451     257.057     260.000       8.120    2 
+    500000      100000.00      34.340     -43.186      -8.846   5.99 0.214 0.769 0.206 0.439     311.547     260.000       7.686    2 
+    510000      102000.00      29.856     -37.165      -7.309   6.09 0.286 0.600 0.173 0.614     270.873     270.000       8.665    2 
+    520000      104000.00      26.376     -42.961     -16.585   6.03 0.143 0.818 0.219 0.508     239.296     270.000       7.903    2 
+    530000      106000.00      30.843     -35.951      -5.108   4.21 0.143 0.800 0.236 0.658     279.826     270.000       6.617    2 
+    540000      108000.00      24.127     -40.620     -16.493   4.55 0.214 0.667 0.212 0.637     218.895     270.000       7.350    2 
+    550000      110000.00      29.491     -33.701      -4.210   6.87 0.143 0.714 0.182 0.436     267.557     270.000       8.609    2 
+    560000      112000.00      27.995     -37.630      -9.634   4.36 0.214 0.786 0.218 0.626     253.988     270.000       6.864    2 
+    570000      114000.00      30.238     -34.832      -4.594   5.67 0.143 0.750 0.182 0.196     274.337     270.000       7.918    2 
+    580000      116000.00      27.176     -43.155     -15.979   5.57 0.286 0.667 0.189 0.279     246.554     270.000       8.035    2 
+    590000      118000.00      32.302     -37.670      -5.368   5.79 0.143 0.800 0.191 0.616     293.060     270.000       8.140    2 
+    600000      120000.00      31.444     -48.116     -16.671   4.47 0.286 0.667 0.239 0.535     285.280     270.000       6.991    2 
+    610000      122000.00      22.165     -38.938     -16.773   4.36 0.214 0.700 0.250 0.990     201.090     270.000       6.849    2 
+    620000      124000.00      21.954     -38.215     -16.261   4.10 0.357 0.615 0.224 0.880     199.179     270.000       7.099    2 
+    630000      126000.00      26.945     -38.653     -11.709   5.97 0.214 0.750 0.182 0.505     244.455     270.000       8.002    2 
+    640000      128000.00      33.347     -39.618      -6.272   4.31 0.214 0.700 0.214 0.613     302.537     270.000       6.860    2 
+    650000      130000.00      26.160     -44.132     -17.973   4.06 0.143 0.833 0.250 0.240     237.334     270.000       6.333    2 
+    660000      132000.00      27.380     -36.686      -9.306   4.63 0.214 0.571 0.227 1.215     248.408     270.000       7.504    2 
+    670000      134000.00      28.750     -35.445      -6.695   3.90 0.214 0.750 0.261 0.488     260.835     270.000       6.731    2 
+    680000      136000.00      27.802     -40.403     -12.601   6.19 0.071 0.889 0.182 0.579     252.234     270.000       8.386    2 
+    690000      138000.00      24.116     -36.960     -12.844   6.38 0.357 0.615 0.164 0.606     218.796     270.000       8.587    2 
+    700000      140000.00      31.106     -35.564      -4.458   5.39 0.357 0.643 0.179 0.490     282.207     270.000       7.816    2 
+    710000      142000.00      28.067     -48.880     -20.814   6.44 0.357 0.615 0.171 0.407     254.634     260.000       7.978    2 
+    720000      144000.00      19.340     -50.510     -31.170   4.43 0.214 0.769 0.245 0.097     175.461     260.000       6.771    2 
+    730000      146000.00      28.236     -48.989     -20.753   6.66 0.071 0.875 0.193 0.466     256.175     260.000       8.215    2 
+    740000      148000.00      23.534     -48.224     -24.690   6.22 0.143 0.818 0.190 0.330     213.515     260.000       8.037    2 
+    750000      150000.00      23.193     -46.300     -23.107   4.10 0.214 0.786 0.308 0.285     210.420     260.000       6.514    2 
+    760000      152000.00      22.198     -51.537     -29.339   4.16 0.286 0.714 0.282 0.239     201.391     260.000       6.622    2 
+    770000      154000.00      18.148     -47.517     -29.369   3.95 0.357 0.688 0.267 0.467     164.649     260.000       6.345    2 
+    780000      156000.00      25.225     -48.706     -23.481   4.06 0.143 0.778 0.212 0.608     228.855     260.000       6.621    2 
+    790000      158000.00      26.794     -46.968     -20.175   5.48 0.357 0.643 0.201 1.025     243.085     260.000       7.806    2 
+    800000      160000.00      24.421     -41.369     -16.948   5.91 0.357 0.444 0.172 0.251     221.556     260.000       8.048    2 
+    810000      162000.00      29.284     -52.132     -22.849   4.02 0.286 0.765 0.329 0.309     265.677     260.000       6.286    2 
+    820000      164000.00      28.536     -46.396     -17.860   6.23 0.286 0.667 0.174 1.047     258.892     260.000       8.009    2 
+    830000      166000.00      26.513     -44.980     -18.467   4.16 0.143 0.818 0.244 0.338     240.543     260.000       6.717    2 
+    840000      168000.00      29.505     -52.248     -22.743   6.03 0.357 0.545 0.174 0.744     267.684     260.000       8.107    2 
+    850000      170000.00      27.296     -47.775     -20.479   6.68 0.357 0.583 0.178 0.352     247.645     260.000       8.493    2 
+    860000      172000.00      27.678     -43.308     -15.629   6.57 0.214 0.727 0.190 1.025     251.113     260.000       7.925    2 
+    870000      174000.00      22.233     -41.886     -19.654   5.36 0.286 0.733 0.185 0.354     201.707     260.000       7.875    2 
+    880000      176000.00      23.866     -41.627     -17.761   6.09 0.143 0.818 0.186 0.262     216.521     260.000       8.109    2 
+    890000      178000.00      22.734     -45.737     -23.003   5.91 0.214 0.700 0.191 0.557     206.251     260.000       8.118    2 
+    900000      180000.00      24.346     -44.376     -20.030   6.50 0.286 0.692 0.171 1.171     220.876     260.000       8.069    2 
+    910000      182000.00      30.328     -54.339     -24.011   4.15 0.071 0.909 0.256 0.277     275.154     250.000       6.395    2 
+    920000      184000.00      22.405     -50.178     -27.773   3.90 0.214 0.812 0.389 0.441     203.267     250.000       6.288    2 
+    930000      186000.00      24.188     -50.202     -26.014   4.48 0.286 0.714 0.227 0.201     219.450     250.000       7.249    2 
+    940000      188000.00      29.387     -48.292     -18.905   3.88 0.214 0.769 0.283 0.437     266.610     250.000       6.562    2 
+    950000      190000.00      23.654     -41.451     -17.797   4.71 0.143 0.750 0.205 0.527     214.604     250.000       7.599    2 
+    960000      192000.00      21.358     -52.534     -31.175   5.67 0.214 0.700 0.173 0.683     193.774     250.000       8.162    2 
+    970000      194000.00      23.074     -52.260     -29.186   5.65 0.286 0.600 0.168 0.654     209.336     250.000       8.027    2 
+    980000      196000.00      25.591     -48.002     -22.411   6.09 0.214 0.700 0.173 0.314     232.177     250.000       8.132    2 
+    990000      198000.00      26.022     -47.723     -21.701   6.25 0.143 0.667 0.197 0.306     236.088     250.000       7.731    2 
+   1000000      200000.00      31.578     -46.353     -14.776   5.14 0.286 0.600 0.168 0.500     286.488     250.000       8.009    2 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB003.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB003.stat
index 1dca425..913f6e8 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB003.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB003.stat
@@ -1,101 +1,101 @@
-         0           0.00      23.619     116.753     140.372  12.87 0.000   NaN   NaN 4.851     214.287     250.000      15.552    3 
-     10000        2000.00      27.857     -44.427     -16.570   2.81 0.357 0.667 0.270 0.480     252.733     250.000       6.633    3 
-     20000        4000.00      22.504     -38.017     -15.513   5.17 0.500 0.533 0.230 0.247     204.171     250.000       7.711    3 
-     30000        6000.00      20.276     -57.370     -37.093   3.01 0.214 0.786 0.396 0.576     183.958     250.000       6.255    3 
-     40000        8000.00      25.630     -48.816     -23.187   3.12 0.214 0.750 0.208 0.951     232.526     250.000       6.986    3 
-     50000       10000.00      28.674     -50.425     -21.751   2.97 0.357 0.722 0.318 0.554     260.143     250.000       6.613    3 
-     60000       12000.00      27.921     -55.838     -27.917   2.75 0.357 0.545 0.240 0.284     253.311     250.000       6.910    3 
-     70000       14000.00      29.275     -55.627     -26.353   2.50 0.357 0.615 0.248 0.462     265.594     250.000       6.690    3 
-     80000       16000.00      30.108     -58.522     -28.414   2.93 0.357 0.688 0.310 0.487     273.156     250.000       6.322    3 
-     90000       18000.00      16.486     -62.144     -45.659   3.03 0.286 0.750 0.349 1.009     149.565     250.000       6.133    3 
-    100000       20000.00      24.234     -57.505     -33.271   2.74 0.357 0.615 0.234 0.138     219.862     250.000       6.692    3 
-    110000       22000.00      19.326     -56.076     -36.750   3.71 0.357 0.750 0.368 0.444     175.333     250.000       6.246    3 
-    120000       24000.00      23.286     -53.150     -29.864   2.73 0.357 0.688 0.293 0.370     211.262     250.000       6.711    3 
-    130000       26000.00      23.598     -49.735     -26.138   3.36 0.357 0.643 0.253 0.973     214.091     250.000       6.834    3 
-    140000       28000.00      23.285     -46.963     -23.678   3.33 0.429 0.500 0.167 0.177     211.255     250.000       7.212    3 
-    150000       30000.00      24.159     -54.091     -29.932   3.27 0.429 0.600 0.324 0.542     219.183     250.000       6.596    3 
-    160000       32000.00      22.603     -51.591     -28.988   2.90 0.357 0.688 0.312 0.525     205.070     250.000       6.212    3 
-    170000       34000.00      25.824     -57.965     -32.142   3.25 0.429 0.538 0.217 0.323     234.286     250.000       7.137    3 
-    180000       36000.00      29.442     -62.523     -33.081   2.69 0.429 0.571 0.211 0.427     267.116     250.000       6.419    3 
-    190000       38000.00      21.319     -52.780     -31.461   2.78 0.500 0.632 0.318 0.422     193.414     250.000       6.406    3 
-    200000       40000.00      24.553     -57.634     -33.080   2.68 0.357 0.583 0.212 0.289     222.761     250.000       6.961    3 
-    210000       42000.00      32.658     -60.673     -28.015   2.93 0.286 0.667 0.216 0.252     296.287     250.000       6.782    3 
-    220000       44000.00      24.209     -52.108     -27.900   2.82 0.429 0.625 0.301 0.175     219.633     250.000       6.233    3 
-    230000       46000.00      25.211     -52.525     -27.314   2.58 0.357 0.583 0.182 0.422     228.731     250.000       6.996    3 
-    240000       48000.00      25.281     -50.670     -25.390   2.58 0.357 0.643 0.266 0.647     229.359     250.000       6.563    3 
-    250000       50000.00      29.324     -53.972     -24.647   2.92 0.286 0.778 0.343 0.346     266.045     250.000       6.292    3 
-    260000       52000.00      28.476     -44.774     -16.299   2.69 0.429 0.600 0.270 0.571     258.345     250.000       6.881    3 
-    270000       54000.00      23.876     -50.185     -26.309   2.84 0.429 0.500 0.284 0.491     216.613     250.000       6.400    3 
-    280000       56000.00      29.272     -54.136     -24.863   2.92 0.429 0.600 0.197 0.380     265.574     250.000       7.236    3 
-    290000       58000.00      25.189     -50.506     -25.317   2.82 0.214 0.786 0.364 0.759     228.526     250.000       6.426    3 
-    300000       60000.00      32.707     -54.727     -22.019   3.03 0.429 0.500 0.201 0.857     296.739     250.000       7.337    3 
-    310000       62000.00      26.361     -47.995     -21.633   2.68 0.500 0.588 0.235 0.456     239.164     260.000       6.725    3 
-    320000       64000.00      27.925     -44.661     -16.736   3.36 0.357 0.500 0.168 0.177     253.349     260.000       7.710    3 
-    330000       66000.00      26.269     -45.886     -19.617   2.79 0.214 0.800 0.303 0.456     238.330     260.000       6.208    3 
-    340000       68000.00      29.059     -47.588     -18.530   3.68 0.429 0.600 0.212 0.355     263.635     260.000       7.626    3 
-    350000       70000.00      27.104     -52.228     -25.124   2.59 0.357 0.615 0.276 0.548     245.903     260.000       6.724    3 
-    360000       72000.00      29.328     -55.671     -26.343   2.82 0.357 0.688 0.278 0.586     266.081     260.000       6.246    3 
-    370000       74000.00      25.662     -48.141     -22.479   2.62 0.286 0.733 0.264 0.370     232.821     260.000       6.822    3 
-    380000       76000.00      27.475     -45.140     -17.665   2.66 0.500 0.562 0.284 0.697     249.266     260.000       6.423    3 
-    390000       78000.00      24.989     -39.609     -14.620   2.63 0.429 0.455 0.169 1.295     226.711     260.000       6.927    3 
-    400000       80000.00      28.231     -49.711     -21.480   2.68 0.500 0.588 0.251 0.391     256.125     260.000       6.185    3 
-    410000       82000.00      27.056     -47.225     -20.169   3.27 0.571 0.273 0.169 0.433     245.463     260.000       7.125    3 
-    420000       84000.00      23.038     -51.096     -28.058   2.94 0.286 0.667 0.254 0.503     209.008     260.000       6.820    3 
-    430000       86000.00      30.841     -53.004     -22.162   2.92 0.429 0.647 0.273 0.507     279.809     260.000       6.951    3 
-    440000       88000.00      28.453     -49.785     -21.332   2.83 0.357 0.615 0.217 0.825     258.140     260.000       6.828    3 
-    450000       90000.00      24.776     -44.064     -19.288   2.61 0.500 0.417 0.197 0.489     224.777     260.000       6.854    3 
-    460000       92000.00      20.255     -44.297     -24.042   2.80 0.286 0.692 0.315 0.291     183.762     260.000       6.680    3 
-    470000       94000.00      32.234     -48.130     -15.896   2.83 0.214 0.750 0.242 0.310     292.441     260.000       6.678    3 
-    480000       96000.00      22.811     -48.933     -26.122   2.50 0.357 0.667 0.285 0.415     206.953     260.000       6.763    3 
-    490000       98000.00      26.134     -49.322     -23.188   2.74 0.214 0.700 0.191 0.458     237.105     260.000       7.300    3 
-    500000      100000.00      24.698     -51.524     -26.827   2.83 0.357 0.615 0.248 0.899     224.073     260.000       6.196    3 
-    510000      102000.00      26.534     -46.009     -19.474   2.76 0.286 0.667 0.242 0.677     240.734     250.000       6.521    3 
-    520000      104000.00      23.788     -47.200     -23.412   3.12 0.357 0.545 0.165 0.183     215.817     250.000       7.612    3 
-    530000      106000.00      20.543     -58.399     -37.856   2.52 0.500 0.632 0.323 0.253     186.372     250.000       6.538    3 
-    540000      108000.00      21.481     -53.648     -32.167   3.08 0.429 0.538 0.164 0.464     194.889     250.000       7.368    3 
-    550000      110000.00      20.698     -56.064     -35.366   2.95 0.643 0.571 0.290 0.690     187.782     250.000       6.447    3 
-    560000      112000.00      29.452     -53.393     -23.941   2.46 0.429 0.571 0.234 0.736     267.206     250.000       6.624    3 
-    570000      114000.00      24.404     -52.410     -28.006   2.66 0.357 0.688 0.276 0.398     221.407     250.000       6.242    3 
-    580000      116000.00      19.818     -63.403     -43.585   2.98 0.286 0.765 0.372 0.213     179.801     250.000       6.315    3 
-    590000      118000.00      29.850     -52.715     -22.865   2.86 0.429 0.667 0.265 0.598     270.814     250.000       6.463    3 
-    600000      120000.00      26.969     -49.871     -22.903   3.12 0.143 0.750 0.216 0.109     244.676     250.000       7.609    3 
-    610000      122000.00      32.051     -55.857     -23.807   3.06 0.429 0.538 0.234 0.488     290.780     250.000       7.291    3 
-    620000      124000.00      24.271     -52.526     -28.255   2.77 0.429 0.538 0.227 0.381     220.197     250.000       6.896    3 
-    630000      126000.00      26.430     -64.186     -37.756   2.86 0.357 0.706 0.283 0.660     239.788     250.000       6.268    3 
-    640000      128000.00      27.593     -61.646     -34.053   2.57 0.286 0.765 0.270 0.583     250.333     250.000       6.551    3 
-    650000      130000.00      23.385     -54.880     -31.495   2.37 0.429 0.538 0.290 0.940     212.163     250.000       6.617    3 
-    660000      132000.00      28.083     -55.067     -26.984   2.90 0.357 0.667 0.212 0.299     254.780     250.000       7.095    3 
-    670000      134000.00      22.912     -53.963     -31.050   2.94 0.214 0.833 0.354 0.505     207.872     250.000       6.134    3 
-    680000      136000.00      25.861     -50.314     -24.454   3.20 0.357 0.615 0.252 0.745     234.621     250.000       6.514    3 
-    690000      138000.00      30.542     -54.847     -24.305   3.07 0.357 0.500 0.227 0.519     277.097     250.000       6.837    3 
-    700000      140000.00      26.022     -54.186     -28.164   2.83 0.214 0.824 0.340 0.871     236.086     250.000       6.155    3 
-    710000      142000.00      15.075     -59.048     -43.973   2.51 0.429 0.600 0.276 0.178     136.764     250.000       6.366    3 
-    720000      144000.00      20.103     -56.151     -36.048   2.65 0.357 0.615 0.322 0.248     182.383     250.000       6.693    3 
-    730000      146000.00      25.884     -58.958     -33.075   2.45 0.357 0.722 0.333 0.485     234.829     250.000       6.377    3 
-    740000      148000.00      24.676     -57.489     -32.814   2.61 0.357 0.667 0.258 0.920     223.869     250.000       6.771    3 
-    750000      150000.00      25.875     -54.477     -28.602   2.74 0.571 0.556 0.356 1.116     234.756     250.000       6.489    3 
-    760000      152000.00      24.686     -54.369     -29.683   2.95 0.357 0.667 0.324 0.878     223.968     250.000       6.258    3 
-    770000      154000.00      25.869     -56.319     -30.450   3.08 0.500 0.533 0.239 0.326     234.693     250.000       6.829    3 
-    780000      156000.00      23.204     -51.585     -28.381   2.92 0.429 0.667 0.268 0.320     210.516     250.000       6.817    3 
-    790000      158000.00      33.928     -51.016     -17.088   2.68 0.429 0.571 0.318 0.888     307.811     250.000       6.895    3 
-    800000      160000.00      26.294     -57.391     -31.097   2.76 0.429 0.600 0.248 0.896     238.554     250.000       6.645    3 
-    810000      162000.00      22.879     -50.721     -27.841   2.76 0.286 0.667 0.311 0.448     207.573     250.000       6.453    3 
-    820000      164000.00      33.673     -54.528     -20.855   2.66 0.357 0.667 0.227 0.222     305.497     250.000       6.760    3 
-    830000      166000.00      28.714     -48.435     -19.721   2.81 0.214 0.750 0.242 0.496     260.508     250.000       6.790    3 
-    840000      168000.00      25.073     -58.667     -33.595   2.83 0.357 0.706 0.329 0.377     227.473     250.000       6.319    3 
-    850000      170000.00      24.398     -54.658     -30.260   3.33 0.357 0.500 0.168 0.472     221.350     250.000       7.355    3 
-    860000      172000.00      28.964     -45.604     -16.639   3.19 0.357 0.286 0.162 0.446     262.780     250.000       7.547    3 
-    870000      174000.00      17.916     -52.796     -34.880   2.75 0.286 0.667 0.220 0.500     162.543     250.000       6.748    3 
-    880000      176000.00      28.648     -48.881     -20.233   2.99 0.429 0.538 0.168 0.486     259.909     250.000       7.156    3 
-    890000      178000.00      23.151     -56.928     -33.777   2.89 0.500 0.533 0.248 0.651     210.036     250.000       6.761    3 
-    900000      180000.00      27.827     -52.654     -24.826   2.51 0.357 0.583 0.178 0.466     252.464     250.000       6.896    3 
-    910000      182000.00      32.213     -41.669      -9.456   3.75 0.214 0.700 0.200 0.395     292.256     250.000       7.645    3 
-    920000      184000.00      18.893     -53.973     -35.080   2.87 0.286 0.750 0.372 0.290     171.407     250.000       6.541    3 
-    930000      186000.00      30.507     -50.745     -20.238   2.98 0.429 0.600 0.267 0.795     276.778     250.000       6.463    3 
-    940000      188000.00      29.007     -57.420     -28.413   2.80 0.500 0.500 0.166 0.347     263.164     250.000       6.992    3 
-    950000      190000.00      17.376     -55.898     -38.522   2.67 0.571 0.429 0.214 0.415     157.643     250.000       6.844    3 
-    960000      192000.00      21.088     -50.847     -29.760   2.63 0.500 0.562 0.239 0.206     191.318     250.000       6.701    3 
-    970000      194000.00      25.620     -51.159     -25.539   2.78 0.429 0.400 0.182 0.659     232.441     250.000       6.749    3 
-    980000      196000.00      22.106     -51.557     -29.451   2.93 0.429 0.500 0.277 0.751     200.559     250.000       7.001    3 
-    990000      198000.00      17.520     -53.079     -35.559   2.90 0.357 0.500 0.223 0.598     158.947     250.000       6.985    3 
-   1000000      200000.00      31.159     -55.965     -24.806   2.87 0.429 0.625 0.327 0.569     282.691     250.000       6.360    3 
+         0           0.00      24.564     116.457     141.021  12.87 0.000   NaN   NaN 4.851     222.858     260.000      15.552    3 
+     10000        2000.00      28.472     -39.360     -10.888   4.97 0.143 0.833 0.220 0.797     258.312     260.000       7.720    3 
+     20000        4000.00      25.059     -51.286     -26.226   2.43 0.714 0.524 0.344 0.825     227.352     260.000       6.389    3 
+     30000        6000.00      18.857     -42.976     -24.120   2.79 0.429 0.600 0.239 0.806     171.077     260.000       6.820    3 
+     40000        8000.00      27.702     -53.289     -25.587   3.15 0.357 0.688 0.270 0.430     251.331     260.000       6.514    3 
+     50000       10000.00      27.625     -41.954     -14.329   4.21 0.571 0.385 0.171 0.651     250.629     260.000       7.690    3 
+     60000       12000.00      32.150     -51.515     -19.365   2.63 0.357 0.643 0.250 0.638     291.682     260.000       6.758    3 
+     70000       14000.00      29.909     -52.450     -22.541   2.76 0.214 0.769 0.315 0.766     271.350     260.000       6.665    3 
+     80000       16000.00      30.553     -46.523     -15.969   2.90 0.500 0.650 0.209 0.956     277.194     260.000       6.889    3 
+     90000       18000.00      18.166     -50.189     -32.023   2.79 0.429 0.625 0.222 1.028     164.808     260.000       6.607    3 
+    100000       20000.00      24.393     -44.656     -20.263   2.74 0.429 0.625 0.293 0.823     221.302     260.000       6.490    3 
+    110000       22000.00      22.605     -49.980     -27.375   3.09 0.357 0.688 0.273 0.251     205.084     250.000       6.608    3 
+    120000       24000.00      23.108     -57.907     -34.798   3.46 0.357 0.722 0.341 0.165     209.650     250.000       6.327    3 
+    130000       26000.00      26.275     -61.997     -35.721   3.38 0.357 0.688 0.352 0.736     238.381     250.000       6.354    3 
+    140000       28000.00      21.560     -53.719     -32.159   3.52 0.286 0.714 0.344 0.385     195.601     250.000       6.301    3 
+    150000       30000.00      23.451     -56.498     -33.047   2.63 0.357 0.643 0.211 0.337     212.760     250.000       6.843    3 
+    160000       32000.00      23.405     -54.719     -31.315   3.21 0.357 0.688 0.298 0.628     212.339     250.000       6.292    3 
+    170000       34000.00      23.340     -59.603     -36.263   2.75 0.357 0.667 0.221 0.191     211.748     250.000       6.723    3 
+    180000       36000.00      29.608     -51.186     -21.578   3.36 0.286 0.778 0.341 0.247     268.621     250.000       6.388    3 
+    190000       38000.00      20.695     -55.409     -34.714   2.84 0.357 0.722 0.354 0.210     187.759     250.000       6.255    3 
+    200000       40000.00      26.829     -51.140     -24.311   2.60 0.357 0.643 0.201 0.622     243.404     250.000       7.076    3 
+    210000       42000.00      31.741     -55.440     -23.699   2.61 0.357 0.667 0.315 1.065     287.970     250.000       6.361    3 
+    220000       44000.00      24.684     -49.963     -25.279   2.96 0.357 0.667 0.291 0.454     223.942     250.000       6.819    3 
+    230000       46000.00      24.035     -56.941     -32.906   2.74 0.429 0.600 0.276 0.617     218.058     250.000       6.606    3 
+    240000       48000.00      27.060     -45.328     -18.268   2.60 0.357 0.583 0.227 0.297     245.502     250.000       6.662    3 
+    250000       50000.00      26.109     -47.002     -20.893   2.42 0.357 0.706 0.278 0.299     236.870     250.000       6.699    3 
+    260000       52000.00      31.019     -54.288     -23.269   2.77 0.357 0.583 0.223 0.194     281.418     250.000       7.257    3 
+    270000       54000.00      22.919     -52.211     -29.291   2.87 0.429 0.600 0.285 0.505     207.936     250.000       6.375    3 
+    280000       56000.00      29.248     -50.440     -21.192   2.61 0.500 0.533 0.245 0.939     265.350     250.000       6.498    3 
+    290000       58000.00      25.020     -56.071     -31.050   2.75 0.571 0.529 0.326 0.662     226.999     250.000       6.546    3 
+    300000       60000.00      32.545     -51.252     -18.707   3.06 0.500 0.533 0.233 0.415     295.268     250.000       6.695    3 
+    310000       62000.00      25.475     -57.643     -32.169   2.57 0.429 0.647 0.318 0.455     231.119     250.000       6.726    3 
+    320000       64000.00      27.369     -51.106     -23.737   2.60 0.357 0.615 0.252 0.596     248.307     250.000       7.001    3 
+    330000       66000.00      25.113     -52.825     -27.712   2.60 0.357 0.615 0.234 0.178     227.837     250.000       6.628    3 
+    340000       68000.00      27.580     -57.065     -29.485   2.77 0.500 0.588 0.270 0.586     250.224     250.000       6.511    3 
+    350000       70000.00      25.670     -51.476     -25.806   2.56 0.357 0.615 0.269 0.514     232.893     250.000       6.512    3 
+    360000       72000.00      26.867     -55.973     -29.106   2.50 0.429 0.500 0.197 0.708     243.755     250.000       6.800    3 
+    370000       74000.00      24.339     -57.538     -33.199   2.48 0.500 0.533 0.309 0.293     220.812     250.000       6.628    3 
+    380000       76000.00      28.549     -51.713     -23.163   3.43 0.429 0.667 0.189 0.485     259.015     250.000       7.001    3 
+    390000       78000.00      29.602     -55.958     -26.356   2.89 0.571 0.529 0.340 0.167     268.567     250.000       6.463    3 
+    400000       80000.00      25.355     -56.897     -31.542   2.53 0.500 0.462 0.196 0.582     230.031     250.000       6.911    3 
+    410000       82000.00      25.737     -42.401     -16.664   3.27 0.357 0.583 0.231 0.746     233.499     270.000       6.887    3 
+    420000       84000.00      23.859     -44.390     -20.531   2.65 0.500 0.562 0.318 0.291     216.465     270.000       6.505    3 
+    430000       86000.00      33.982     -44.640     -10.658   3.05 0.214 0.769 0.206 0.163     308.304     270.000       7.375    3 
+    440000       88000.00      32.267     -45.359     -13.092   2.92 0.286 0.667 0.318 0.878     292.743     270.000       6.621    3 
+    450000       90000.00      27.994     -32.370      -4.376   3.05 0.357 0.643 0.299 0.914     253.980     270.000       6.559    3 
+    460000       92000.00      22.157     -43.984     -21.827   2.92 0.286 0.733 0.236 0.286     201.020     270.000       6.330    3 
+    470000       94000.00      34.244     -45.399     -11.155   2.85 0.500 0.500 0.240 0.706     310.679     270.000       6.650    3 
+    480000       96000.00      22.487     -40.815     -18.328   4.01 0.286 0.692 0.168 0.687     204.014     270.000       8.084    3 
+    490000       98000.00      25.873     -39.069     -13.195   2.74 0.214 0.727 0.326 0.685     234.737     270.000       6.568    3 
+    500000      100000.00      31.799     -42.415     -10.616   2.44 0.357 0.500 0.205 0.503     288.497     270.000       6.934    3 
+    510000      102000.00      27.706     -43.352     -15.646   2.58 0.571 0.529 0.345 0.453     251.363     260.000       6.711    3 
+    520000      104000.00      21.329     -45.769     -24.440   3.08 0.214 0.824 0.385 0.569     193.509     260.000       6.594    3 
+    530000      106000.00      24.379     -45.514     -21.135   3.20 0.286 0.765 0.340 0.586     221.181     260.000       6.492    3 
+    540000      108000.00      23.648     -52.338     -28.690   2.47 0.357 0.545 0.202 0.459     214.543     260.000       7.002    3 
+    550000      110000.00      24.053     -51.000     -26.947   2.53 0.357 0.706 0.310 0.794     218.221     260.000       6.510    3 
+    560000      112000.00      30.155     -45.598     -15.443   2.70 0.286 0.692 0.339 1.673     273.580     260.000       6.368    3 
+    570000      114000.00      25.432     -47.113     -21.681   2.48 0.500 0.533 0.309 0.330     230.730     260.000       6.893    3 
+    580000      116000.00      19.371     -44.981     -25.610   2.94 0.357 0.706 0.364 0.260     175.748     260.000       6.297    3 
+    590000      118000.00      32.263     -46.032     -13.769   2.61 0.214 0.769 0.367 1.043     292.705     260.000       6.605    3 
+    600000      120000.00      26.531     -55.393     -28.862   3.04 0.357 0.615 0.213 0.479     240.704     260.000       7.060    3 
+    610000      122000.00      30.461     -49.898     -19.437   3.20 0.286 0.692 0.192 0.211     276.358     250.000       7.186    3 
+    620000      124000.00      24.950     -51.949     -26.999   2.80 0.429 0.500 0.239 0.161     226.363     250.000       6.884    3 
+    630000      126000.00      26.279     -50.654     -24.374   3.28 0.429 0.571 0.169 0.443     238.418     250.000       7.430    3 
+    640000      128000.00      26.976     -49.455     -22.479   2.82 0.286 0.636 0.298 0.391     244.744     250.000       6.814    3 
+    650000      130000.00      24.327     -51.717     -27.390   2.69 0.429 0.538 0.276 1.009     220.706     250.000       6.804    3 
+    660000      132000.00      25.595     -50.566     -24.971   2.84 0.357 0.667 0.291 0.874     232.215     250.000       6.733    3 
+    670000      134000.00      23.712     -48.583     -24.871   3.12 0.286 0.733 0.288 0.638     215.129     250.000       6.370    3 
+    680000      136000.00      28.054     -58.433     -30.379   2.62 0.357 0.583 0.197 0.457     254.520     250.000       6.987    3 
+    690000      138000.00      28.732     -62.976     -34.244   2.53 0.214 0.824 0.310 0.473     260.672     250.000       6.449    3 
+    700000      140000.00      26.599     -53.380     -26.781   2.68 0.357 0.545 0.335 0.768     241.315     250.000       6.712    3 
+    710000      142000.00      15.870     -48.885     -33.015   2.93 0.286 0.765 0.329 0.269     143.982     260.000       6.694    3 
+    720000      144000.00      22.845     -49.184     -26.339   2.69 0.357 0.545 0.174 0.408     207.260     260.000       7.146    3 
+    730000      146000.00      28.691     -52.295     -23.604   2.69 0.286 0.692 0.252 0.839     260.296     260.000       6.677    3 
+    740000      148000.00      21.885     -53.903     -32.018   3.55 0.357 0.706 0.390 0.625     198.555     260.000       6.451    3 
+    750000      150000.00      30.557     -50.176     -19.619   2.37 0.500 0.562 0.278 0.359     277.225     260.000       6.536    3 
+    760000      152000.00      27.158     -51.429     -24.271   3.01 0.357 0.737 0.352 0.859     246.393     260.000       6.376    3 
+    770000      154000.00      27.012     -50.985     -23.973   3.81 0.214 0.824 0.369 0.410     245.063     260.000       6.337    3 
+    780000      156000.00      22.872     -48.650     -25.778   2.80 0.357 0.583 0.197 0.233     207.508     260.000       6.884    3 
+    790000      158000.00      32.620     -50.990     -18.370   2.79 0.429 0.500 0.193 1.129     295.944     260.000       6.947    3 
+    800000      160000.00      28.242     -46.347     -18.105   3.12 0.357 0.583 0.193 0.427     256.226     260.000       7.042    3 
+    810000      162000.00      25.330     -50.208     -24.878   2.70 0.357 0.667 0.306 0.521     229.806     260.000       6.582    3 
+    820000      164000.00      33.221     -44.782     -11.562   2.98 0.357 0.545 0.269 0.330     301.396     260.000       6.763    3 
+    830000      166000.00      30.651     -49.751     -19.100   2.96 0.286 0.765 0.369 0.544     278.085     260.000       6.269    3 
+    840000      168000.00      27.703     -42.712     -15.009   3.14 0.214 0.625 0.193 0.369     251.332     260.000       7.426    3 
+    850000      170000.00      23.477     -44.940     -21.464   2.98 0.286 0.750 0.321 0.492     212.993     260.000       6.321    3 
+    860000      172000.00      31.289     -38.770      -7.481   2.91 0.357 0.615 0.273 0.474     283.873     260.000       6.844    3 
+    870000      174000.00      19.807     -47.470     -27.663   3.67 0.286 0.733 0.345 0.319     179.696     260.000       6.485    3 
+    880000      176000.00      30.960     -42.776     -11.816   2.76 0.429 0.600 0.258 0.574     280.883     260.000       6.523    3 
+    890000      178000.00      26.918     -40.454     -13.536   3.08 0.286 0.636 0.298 0.303     244.210     260.000       6.538    3 
+    900000      180000.00      25.960     -52.237     -26.277   2.72 0.286 0.733 0.306 0.777     235.520     260.000       6.506    3 
+    910000      182000.00      34.480     -51.502     -17.023   3.06 0.357 0.667 0.303 0.463     312.816     260.000       6.413    3 
+    920000      184000.00      24.605     -51.029     -26.424   2.83 0.214 0.750 0.394 0.272     223.231     260.000       6.649    3 
+    930000      186000.00      32.377     -45.796     -13.420   2.47 0.429 0.455 0.227 1.488     293.736     260.000       6.813    3 
+    940000      188000.00      28.718     -51.366     -22.648   2.72 0.500 0.611 0.379 0.404     260.541     260.000       6.129    3 
+    950000      190000.00      18.086     -54.437     -36.351   2.71 0.357 0.688 0.276 0.654     164.085     260.000       6.405    3 
+    960000      192000.00      22.223     -46.439     -24.216   2.91 0.357 0.583 0.208 0.637     201.615     260.000       6.905    3 
+    970000      194000.00      24.898     -47.480     -22.583   3.09 0.500 0.562 0.278 0.386     225.883     260.000       6.394    3 
+    980000      196000.00      20.848     -42.180     -21.332   3.10 0.429 0.500 0.223 0.688     189.140     260.000       6.796    3 
+    990000      198000.00      20.569     -50.301     -29.732   2.97 0.429 0.571 0.182 0.374     186.608     260.000       6.910    3 
+   1000000      200000.00      25.475     -50.489     -25.014   2.80 0.214 0.800 0.324 1.006     231.123     260.000       6.551    3 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB004.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB004.stat
index 0c44508..a1a18a3 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB004.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB004.stat
@@ -1,101 +1,101 @@
-         0           0.00      24.514     116.457     140.971  12.87 0.000   NaN   NaN 4.851     222.408     260.000      15.552    4 
-     10000        2000.00      27.111     -33.742      -6.631   4.40 0.429 0.684 0.435 0.903     245.965     260.000       6.475    4 
-     20000        4000.00      25.490     -40.566     -15.076   5.50 0.286 0.800 0.389 0.544     231.258     260.000       6.382    4 
-     30000        6000.00      30.864     -36.782      -5.917   5.20 0.214 0.824 0.348 0.563     280.018     260.000       6.621    4 
-     40000        8000.00      29.870     -36.445      -6.576   5.11 0.214 0.880 0.438 0.570     270.994     260.000       5.960    4 
-     50000       10000.00      31.845     -32.690      -0.846   4.67 0.357 0.706 0.439 0.253     288.911     260.000       6.324    4 
-     60000       12000.00      21.877     -36.314     -14.437   4.07 0.429 0.333 0.172 0.614     198.476     260.000       7.667    4 
-     70000       14000.00      27.588     -35.205      -7.617   3.63 0.143 0.818 0.293 0.492     250.292     260.000       7.013    4 
-     80000       16000.00      28.154     -45.392     -17.238   6.39 0.143 0.818 0.198 1.240     255.426     260.000       8.004    4 
-     90000       18000.00      26.972     -41.962     -14.991   6.95 0.214 0.786 0.166 0.363     244.701     260.000       8.216    4 
-    100000       20000.00      26.743     -42.126     -15.383   7.12 0.286 0.714 0.172 0.627     242.626     260.000       8.278    4 
-    110000       22000.00      30.816     -38.272      -7.456   7.18 0.143 0.818 0.165 0.427     279.576     260.000       8.577    4 
-    120000       24000.00      32.484     -37.545      -5.062   7.04 0.143 0.833 0.189 0.580     294.709     260.000       8.479    4 
-    130000       26000.00      26.324     -35.527      -9.204   6.79 0.214 0.769 0.161 0.639     238.822     260.000       9.245    4 
-    140000       28000.00      23.179     -45.465     -22.286   7.29 0.214 0.700 0.155 0.568     210.287     260.000       8.615    4 
-    150000       30000.00      26.764     -40.308     -13.544   6.75 0.286 0.692 0.178 0.792     242.816     260.000       8.822    4 
-    160000       32000.00      22.023     -45.025     -23.002   6.10 0.286 0.714 0.182 0.297     199.808     260.000       7.710    4 
-    170000       34000.00      20.755     -43.605     -22.851   6.60 0.143 0.846 0.168 0.587     188.298     260.000       8.396    4 
-    180000       36000.00      34.166     -36.809      -2.642   7.62 0.214 0.769 0.168 0.356     309.975     260.000       8.469    4 
-    190000       38000.00      26.554     -39.355     -12.801   6.99 0.214 0.625 0.170 1.530     240.909     260.000       8.593    4 
-    200000       40000.00      27.472     -44.102     -16.630   7.37 0.214 0.667 0.172 0.661     249.240     260.000       8.982    4 
-    210000       42000.00      24.967     -22.125       2.841   7.27 0.214 0.700 0.164 0.658     226.509     280.000       9.149    4 
-    220000       44000.00      26.841     -29.125      -2.284   7.65 0.286 0.636 0.161 0.785     243.518     280.000       8.744    4 
-    230000       46000.00      22.885     -29.754      -6.869   5.30 0.286 0.636 0.182 0.697     207.627     280.000       8.679    4 
-    240000       48000.00      24.223     -37.853     -13.629   4.22 0.143 0.867 0.415 0.271     219.767     280.000       6.598    4 
-    250000       50000.00      24.519     -29.875      -5.356   4.52 0.357 0.667 0.330 0.795     222.446     280.000       6.670    4 
-    260000       52000.00      26.495     -32.387      -5.893   3.75 0.286 0.692 0.287 0.396     240.372     280.000       7.019    4 
-    270000       54000.00      26.633     -32.971      -6.337   4.34 0.214 0.786 0.328 0.606     241.629     280.000       6.456    4 
-    280000       56000.00      23.375     -41.988     -18.613   4.17 0.429 0.684 0.356 0.491     212.071     280.000       6.485    4 
-    290000       58000.00      29.268     -40.909     -11.642   4.11 0.357 0.706 0.329 0.320     265.531     280.000       6.518    4 
-    300000       60000.00      33.373     -27.424       5.949   3.97 0.214 0.750 0.261 0.400     302.781     280.000       6.750    4 
-    310000       62000.00      26.591     -41.321     -14.730   3.96 0.429 0.647 0.318 0.474     241.252     280.000       6.746    4 
-    320000       64000.00      29.974     -30.599      -0.625   4.28 0.357 0.667 0.352 0.305     271.938     280.000       6.741    4 
-    330000       66000.00      26.825     -33.080      -6.256   3.90 0.357 0.444 0.278 0.716     243.366     280.000       6.969    4 
-    340000       68000.00      29.872     -23.597       6.275   7.87 0.357 0.444 0.187 0.554     271.018     280.000       8.980    4 
-    350000       70000.00      30.075     -31.345      -1.271   4.39 0.286 0.733 0.245 0.709     272.852     280.000       7.368    4 
-    360000       72000.00      23.166     -39.812     -16.646   3.92 0.143 0.800 0.341 0.838     210.176     280.000       6.571    4 
-    370000       74000.00      32.322     -27.479       4.843   4.32 0.214 0.727 0.198 0.493     293.239     280.000       8.033    4 
-    380000       76000.00      29.344     -30.494      -1.150   3.60 0.286 0.667 0.189 0.503     266.220     280.000       6.961    4 
-    390000       78000.00      30.113     -31.094      -0.981   3.98 0.214 0.700 0.364 0.391     273.204     280.000       6.849    4 
-    400000       80000.00      33.218     -27.534       5.684   3.58 0.286 0.556 0.232 1.007     301.370     280.000       7.078    4 
-    410000       82000.00      31.068     -17.065      14.002   3.49 0.214 0.727 0.314 0.711     281.861     300.000       7.264    4 
-    420000       84000.00      26.405     -23.702       2.703   3.42 0.429 0.538 0.297 0.620     239.561     300.000       7.306    4 
-    430000       86000.00      36.842     -25.479      11.363   3.78 0.143 0.818 0.388 0.508     334.253     300.000       6.828    4 
-    440000       88000.00      29.959     -25.700       4.259   4.34 0.143 0.600 0.200 0.465     271.802     300.000       7.403    4 
-    450000       90000.00      27.308     -16.847      10.462   3.87 0.357 0.643 0.292 0.221     247.756     300.000       6.817    4 
-    460000       92000.00      25.556     -29.054      -3.498   4.62 0.143 0.800 0.182 0.791     231.854     300.000       7.717    4 
-    470000       94000.00      30.990     -19.015      11.975   4.68 0.357 0.500 0.177 1.054     281.154     300.000       7.818    4 
-    480000       96000.00      34.532     -25.226       9.306   3.88 0.071 0.889 0.232 0.706     313.294     300.000       6.665    4 
-    490000       98000.00      37.212     -23.391      13.821   5.47 0.071 0.929 0.325 0.481     337.608     300.000       6.667    4 
-    500000      100000.00      25.996     -33.512      -7.516   4.82 0.214 0.750 0.273 0.388     235.849     300.000       7.171    4 
-    510000      102000.00      26.263     -23.388       2.875   5.21 0.286 0.600 0.282 0.484     238.271     290.000       7.602    4 
-    520000      104000.00      31.035     -34.723      -3.688   4.23 0.357 0.706 0.257 0.430     281.564     290.000       6.812    4 
-    530000      106000.00      26.610     -18.654       7.956   6.05 0.214 0.700 0.155 0.725     241.422     290.000       9.017    4 
-    540000      108000.00      27.351     -28.089      -0.738   5.61 0.071 0.909 0.244 1.463     248.140     290.000       7.242    4 
-    550000      110000.00      35.248     -23.232      12.016   4.26 0.286 0.636 0.310 0.626     319.788     290.000       7.240    4 
-    560000      112000.00      28.810     -19.891       8.919   6.14 0.214 0.750 0.258 0.990     261.381     290.000       7.329    4 
-    570000      114000.00      30.226     -34.719      -4.493   2.86 0.429 0.625 0.230 0.543     274.227     290.000       6.874    4 
-    580000      116000.00      31.267     -29.660       1.607   3.55 0.286 0.500 0.176 0.725     283.668     290.000       7.579    4 
-    590000      118000.00      30.938     -15.435      15.502   4.27 0.286 0.500 0.347 0.637     280.684     290.000       7.138    4 
-    600000      120000.00      29.499     -34.020      -4.522   2.65 0.286 0.636 0.231 0.353     267.627     290.000       6.689    4 
-    610000      122000.00      30.287     -35.604      -5.317   3.31 0.429 0.625 0.247 0.371     274.776     280.000       6.635    4 
-    620000      124000.00      32.037     -28.640       3.397   3.79 0.143 0.833 0.284 0.833     290.658     280.000       6.597    4 
-    630000      126000.00      27.167     -41.009     -13.843   2.64 0.357 0.667 0.282 0.715     246.469     280.000       6.490    4 
-    640000      128000.00      26.520     -34.398      -7.878   2.48 0.357 0.615 0.304 0.836     240.605     280.000       6.810    4 
-    650000      130000.00      33.562     -38.409      -4.848   3.08 0.286 0.714 0.351 0.625     304.488     280.000       6.446    4 
-    660000      132000.00      25.910     -38.104     -12.194   4.39 0.286 0.636 0.182 0.998     235.070     280.000       7.633    4 
-    670000      134000.00      28.138     -34.757      -6.620   3.55 0.214 0.769 0.315 0.275     255.278     280.000       6.266    4 
-    680000      136000.00      29.489     -31.972      -2.483   3.05 0.214 0.833 0.318 0.307     267.541     280.000       6.572    4 
-    690000      138000.00      27.196     -40.038     -12.842   3.12 0.357 0.500 0.168 0.270     246.736     280.000       7.141    4 
-    700000      140000.00      28.697     -36.800      -8.104   3.17 0.286 0.600 0.186 0.447     260.351     280.000       7.302    4 
-    710000      142000.00      29.276     -38.280      -9.004   3.05 0.500 0.588 0.286 0.232     265.609     280.000       6.946    4 
-    720000      144000.00      27.111     -38.443     -11.331   2.63 0.286 0.750 0.230 0.282     245.968     280.000       6.673    4 
-    730000      146000.00      32.717     -34.445      -1.727   2.90 0.214 0.700 0.255 0.544     296.828     280.000       6.609    4 
-    740000      148000.00      21.274     -30.103      -8.829   2.89 0.429 0.600 0.300 0.413     193.008     280.000       6.860    4 
-    750000      150000.00      25.362     -32.644      -7.281   2.63 0.429 0.625 0.241 0.326     230.102     280.000       7.062    4 
-    760000      152000.00      38.533     -44.158      -5.624   3.07 0.286 0.600 0.255 0.881     349.595     280.000       6.987    4 
-    770000      154000.00      33.487     -31.511       1.976   2.79 0.357 0.706 0.374 0.605     303.809     280.000       6.709    4 
-    780000      156000.00      28.036     -31.345      -3.309   6.01 0.143 0.800 0.291 0.304     254.359     280.000       6.902    4 
-    790000      158000.00      29.815     -39.099      -9.284   5.57 0.286 0.692 0.213 1.110     270.494     280.000       7.049    4 
-    800000      160000.00      30.529     -43.720     -13.191   5.47 0.214 0.769 0.238 0.194     276.973     280.000       6.634    4 
-    810000      162000.00      28.906     -32.059      -3.153   5.81 0.071 0.917 0.356 0.480     262.253     280.000       6.484    4 
-    820000      164000.00      29.228     -43.169     -13.941   5.50 0.214 0.769 0.266 0.872     265.173     280.000       6.890    4 
-    830000      166000.00      28.118     -34.100      -5.982   6.04 0.214 0.786 0.263 0.443     255.103     280.000       7.078    4 
-    840000      168000.00      25.425     -40.259     -14.834   6.42 0.143 0.875 0.244 0.834     230.669     280.000       6.869    4 
-    850000      170000.00      22.573     -34.200     -11.627   5.97 0.143 0.818 0.339 0.634     204.797     280.000       7.249    4 
-    860000      172000.00      30.703     -34.514      -3.811   5.49 0.143 0.867 0.276 0.352     278.553     280.000       6.932    4 
-    870000      174000.00      34.938     -47.987     -13.049   5.82 0.214 0.800 0.227 0.524     316.972     280.000       6.612    4 
-    880000      176000.00      31.532     -32.737      -1.205   5.57 0.143 0.833 0.299 0.264     286.079     280.000       6.369    4 
-    890000      178000.00      28.807     -41.847     -13.041   5.78 0.143 0.867 0.282 0.470     261.348     280.000       6.124    4 
-    900000      180000.00      32.241     -42.629     -10.387   5.51 0.143 0.818 0.277 0.775     292.510     280.000       6.844    4 
-    910000      182000.00      28.431     -27.082       1.349   6.78 0.214 0.769 0.381 1.259     257.941     280.000       6.817    4 
-    920000      184000.00      20.218     -22.443      -2.225   5.88 0.143 0.833 0.265 0.520     183.428     280.000       6.334    4 
-    930000      186000.00      20.503     -36.384     -15.881   5.69 0.214 0.500 0.189 0.525     186.016     280.000       7.027    4 
-    940000      188000.00      28.093     -33.364      -5.271   6.01 0.214 0.769 0.269 0.699     254.872     280.000       6.932    4 
-    950000      190000.00      31.686     -31.192       0.494   5.95 0.214 0.625 0.244 0.260     287.474     280.000       6.882    4 
-    960000      192000.00      25.092     -29.139      -4.047   5.22 0.143 0.818 0.273 0.390     227.648     280.000       6.772    4 
-    970000      194000.00      28.375     -42.461     -14.086   3.31 0.286 0.714 0.269 1.256     257.433     280.000       6.392    4 
-    980000      196000.00      30.039     -38.026      -7.986   3.88 0.214 0.842 0.397 0.316     272.533     280.000       6.223    4 
-    990000      198000.00      31.277     -30.361       0.916   3.28 0.143 0.875 0.349 1.023     283.758     280.000       6.425    4 
-   1000000      200000.00      36.336     -38.128      -1.792   3.10 0.357 0.500 0.273 0.305     329.659     280.000       6.738    4 
+         0           0.00      25.457     116.133     141.590  12.87 0.000   NaN   NaN 4.851     230.962     270.000      15.552    4 
+     10000        2000.00      30.793     -27.298       3.495   5.06 0.071 0.917 0.413 0.269     279.368     270.000       6.962    4 
+     20000        4000.00      25.795     -40.077     -14.282   3.67 0.357 0.583 0.193 0.783     234.026     270.000       6.816    4 
+     30000        6000.00      34.093     -41.948      -7.855   4.99 0.357 0.583 0.178 0.497     309.306     270.000       8.002    4 
+     40000        8000.00      28.264     -31.014      -2.750   4.60 0.286 0.692 0.168 0.476     256.428     270.000       7.324    4 
+     50000       10000.00      31.586     -38.617      -7.031   5.95 0.143 0.818 0.256 0.398     286.563     270.000       7.466    4 
+     60000       12000.00      22.386     -32.545     -10.159   4.26 0.214 0.750 0.223 0.581     203.095     270.000       7.443    4 
+     70000       14000.00      29.479     -39.686     -10.207   3.39 0.286 0.600 0.232 0.510     267.446     270.000       7.159    4 
+     80000       16000.00      27.204     -39.066     -11.862   5.48 0.286 0.500 0.182 1.007     246.811     270.000       8.202    4 
+     90000       18000.00      26.456     -37.296     -10.840   5.05 0.286 0.636 0.202 0.277     240.027     270.000       8.122    4 
+    100000       20000.00      28.208     -42.031     -13.823   3.66 0.357 0.643 0.166 0.588     255.916     270.000       7.349    4 
+    110000       22000.00      30.203     -38.667      -8.464   4.53 0.214 0.750 0.208 0.351     274.015     260.000       7.695    4 
+    120000       24000.00      26.888     -42.457     -15.569   3.81 0.286 0.692 0.192 0.552     243.944     260.000       7.592    4 
+    130000       26000.00      26.154     -40.313     -14.159   4.50 0.214 0.727 0.178 0.305     237.279     260.000       7.842    4 
+    140000       28000.00      23.804     -45.760     -21.956   3.50 0.357 0.643 0.205 0.367     215.963     260.000       6.750    4 
+    150000       30000.00      27.102     -45.342     -18.240   3.62 0.429 0.538 0.171 0.925     245.886     260.000       7.728    4 
+    160000       32000.00      23.891     -39.937     -16.046   4.39 0.286 0.692 0.164 0.657     216.748     260.000       8.152    4 
+    170000       34000.00      19.968     -42.745     -22.777   3.99 0.357 0.545 0.161 0.316     181.163     260.000       7.859    4 
+    180000       36000.00      36.364     -49.471     -13.107   3.89 0.286 0.692 0.185 0.487     329.910     260.000       7.586    4 
+    190000       38000.00      27.104     -49.049     -21.944   4.67 0.357 0.583 0.170 0.935     245.904     260.000       8.042    4 
+    200000       40000.00      28.670     -49.180     -20.510   5.25 0.214 0.727 0.182 0.402     260.113     260.000       8.248    4 
+    210000       42000.00      27.539     -48.706     -21.167   4.03 0.286 0.667 0.178 0.355     249.852     260.000       7.589    4 
+    220000       44000.00      25.532     -36.811     -11.279   5.82 0.143 0.778 0.172 0.833     231.640     260.000       8.641    4 
+    230000       46000.00      21.551     -42.941     -21.390   4.44 0.214 0.625 0.188 0.377     195.523     260.000       8.164    4 
+    240000       48000.00      22.255     -46.097     -23.842   4.43 0.214 0.667 0.197 0.253     201.907     260.000       8.040    4 
+    250000       50000.00      19.579     -38.088     -18.509   4.07 0.357 0.667 0.185 1.040     177.634     260.000       7.623    4 
+    260000       52000.00      26.625     -34.733      -8.108   5.83 0.214 0.625 0.165 0.471     241.552     260.000       8.646    4 
+    270000       54000.00      22.874     -46.241     -23.368   3.45 0.286 0.667 0.223 0.601     207.522     260.000       6.872    4 
+    280000       56000.00      22.606     -51.599     -28.993   4.58 0.286 0.692 0.199 0.666     205.094     260.000       7.950    4 
+    290000       58000.00      25.258     -42.198     -16.940   5.32 0.357 0.583 0.159 0.767     229.153     260.000       8.214    4 
+    300000       60000.00      34.278     -45.122     -10.844   5.12 0.286 0.667 0.167 0.354     310.987     260.000       8.123    4 
+    310000       62000.00      22.206     -48.247     -26.040   5.05 0.357 0.583 0.167 0.264     201.466     250.000       7.982    4 
+    320000       64000.00      28.681     -47.813     -19.131   4.39 0.429 0.647 0.182 0.522     260.213     250.000       7.874    4 
+    330000       66000.00      24.745     -46.810     -22.065   4.73 0.286 0.636 0.149 0.744     224.496     250.000       7.982    4 
+    340000       68000.00      28.766     -47.659     -18.893   4.37 0.214 0.667 0.207 1.029     260.984     250.000       7.791    4 
+    350000       70000.00      27.338     -53.796     -26.458   4.30 0.357 0.545 0.169 0.498     248.028     250.000       7.829    4 
+    360000       72000.00      19.857     -49.426     -29.569   3.75 0.286 0.636 0.211 0.318     180.155     250.000       6.913    4 
+    370000       74000.00      29.265     -52.049     -22.783   3.98 0.214 0.769 0.238 0.376     265.510     250.000       7.559    4 
+    380000       76000.00      29.342     -48.226     -18.885   3.34 0.286 0.636 0.190 0.537     266.202     250.000       7.198    4 
+    390000       78000.00      25.535     -49.703     -24.168   4.59 0.214 0.769 0.185 0.414     231.665     250.000       7.425    4 
+    400000       80000.00      31.088     -45.338     -14.250   3.92 0.286 0.636 0.161 0.824     282.046     250.000       7.727    4 
+    410000       82000.00      29.038     -55.329     -26.291   4.55 0.357 0.667 0.173 0.653     263.452     250.000       8.154    4 
+    420000       84000.00      23.574     -49.292     -25.719   5.81 0.357 0.688 0.253 0.488     213.871     250.000       7.313    4 
+    430000       86000.00      29.606     -47.288     -17.682   4.29 0.214 0.750 0.227 0.685     268.600     250.000       7.550    4 
+    440000       88000.00      22.540     -51.492     -28.952   3.59 0.357 0.643 0.185 0.578     204.498     250.000       7.293    4 
+    450000       90000.00      23.180     -44.973     -21.792   3.89 0.286 0.692 0.175 0.654     210.305     250.000       7.435    4 
+    460000       92000.00      21.113     -48.598     -27.486   4.01 0.286 0.692 0.196 0.503     191.545     250.000       7.374    4 
+    470000       94000.00      26.699     -52.456     -25.757   4.30 0.357 0.545 0.169 0.676     242.226     250.000       7.979    4 
+    480000       96000.00      26.153     -48.379     -22.227   3.75 0.286 0.692 0.175 0.324     237.271     250.000       7.464    4 
+    490000       98000.00      30.189     -55.173     -24.985   4.52 0.286 0.714 0.195 0.517     273.887     250.000       7.913    4 
+    500000      100000.00      21.786     -50.105     -28.319   5.95 0.357 0.583 0.163 0.347     197.657     250.000       8.557    4 
+    510000      102000.00      24.399     -46.056     -21.657   3.79 0.357 0.500 0.186 0.639     221.357     250.000       7.744    4 
+    520000      104000.00      27.043     -44.877     -17.834   4.19 0.357 0.643 0.208 0.789     245.345     250.000       7.648    4 
+    530000      106000.00      23.943     -43.711     -19.768   5.61 0.429 0.500 0.193 0.208     217.222     250.000       8.557    4 
+    540000      108000.00      24.579     -49.462     -24.884   3.87 0.500 0.588 0.350 0.353     222.989     250.000       6.745    4 
+    550000      110000.00      27.432     -51.087     -23.654   3.91 0.357 0.667 0.318 0.279     248.882     250.000       6.682    4 
+    560000      112000.00      23.065     -48.527     -25.462   4.19 0.071 0.833 0.189 0.362     209.258     250.000       7.326    4 
+    570000      114000.00      25.158     -39.563     -14.406   4.43 0.214 0.667 0.172 0.401     228.243     250.000       7.479    4 
+    580000      116000.00      29.407     -48.353     -18.946   4.00 0.286 0.714 0.221 0.811     266.795     250.000       6.844    4 
+    590000      118000.00      24.594     -44.273     -19.679   4.40 0.214 0.727 0.178 0.746     223.130     250.000       7.454    4 
+    600000      120000.00      23.183     -49.562     -26.379   4.32 0.214 0.700 0.177 0.317     210.329     250.000       7.603    4 
+    610000      122000.00      25.313     -48.677     -23.364   4.12 0.286 0.600 0.168 0.321     229.650     250.000       7.602    4 
+    620000      124000.00      29.688     -50.241     -20.552   4.25 0.286 0.667 0.182 0.588     269.346     250.000       7.900    4 
+    630000      126000.00      26.633     -51.283     -24.650   4.36 0.286 0.600 0.150 0.703     241.632     250.000       7.613    4 
+    640000      128000.00      22.744     -49.366     -26.621   4.61 0.214 0.667 0.167 0.778     206.346     250.000       8.254    4 
+    650000      130000.00      31.257     -50.499     -19.242   4.24 0.286 0.600 0.159 0.777     283.579     250.000       7.817    4 
+    660000      132000.00      22.669     -49.279     -26.610   4.17 0.143 0.857 0.211 1.161     205.662     250.000       7.739    4 
+    670000      134000.00      26.383     -53.271     -26.888   3.33 0.357 0.643 0.198 0.197     239.359     250.000       7.330    4 
+    680000      136000.00      26.632     -52.756     -26.124   4.72 0.214 0.700 0.150 0.394     241.620     250.000       8.024    4 
+    690000      138000.00      23.130     -46.148     -23.018   4.75 0.357 0.545 0.153 0.255     209.851     250.000       8.021    4 
+    700000      140000.00      24.699     -47.556     -22.857   4.16 0.357 0.615 0.210 0.303     224.081     250.000       7.474    4 
+    710000      142000.00      26.764     -58.121     -31.357   3.80 0.357 0.615 0.185 0.379     242.818     250.000       7.456    4 
+    720000      144000.00      25.246     -53.118     -27.872   4.46 0.286 0.600 0.159 0.228     229.045     250.000       7.962    4 
+    730000      146000.00      29.274     -49.108     -19.834   4.99 0.357 0.615 0.157 0.420     265.585     250.000       8.022    4 
+    740000      148000.00      19.799     -47.430     -27.631   2.94 0.143 0.750 0.193 1.100     179.624     250.000       6.934    4 
+    750000      150000.00      23.897     -47.711     -23.814   4.07 0.214 0.750 0.193 0.557     216.805     250.000       7.410    4 
+    760000      152000.00      34.024     -58.252     -24.227   3.85 0.286 0.714 0.211 0.455     308.685     250.000       6.591    4 
+    770000      154000.00      28.575     -49.550     -20.975   5.36 0.286 0.636 0.157 0.594     259.249     250.000       8.297    4 
+    780000      156000.00      25.094     -48.344     -23.250   3.62 0.429 0.600 0.191 0.498     227.662     250.000       7.242    4 
+    790000      158000.00      31.135     -53.278     -22.143   3.98 0.429 0.500 0.182 0.736     282.475     250.000       7.589    4 
+    800000      160000.00      24.983     -45.261     -20.278   5.75 0.214 0.727 0.169 0.222     226.661     250.000       8.149    4 
+    810000      162000.00      26.993     -53.073     -26.080   3.90 0.357 0.545 0.174 0.144     244.891     250.000       7.605    4 
+    820000      164000.00      23.048     -48.851     -25.803   5.13 0.286 0.600 0.150 0.702     209.103     250.000       8.143    4 
+    830000      166000.00      22.921     -54.473     -31.552   4.27 0.286 0.667 0.170 0.403     207.950     250.000       7.863    4 
+    840000      168000.00      22.541     -48.136     -25.594   4.91 0.214 0.700 0.159 0.368     204.505     250.000       8.158    4 
+    850000      170000.00      20.110     -49.932     -29.822   5.07 0.286 0.667 0.163 0.539     182.448     250.000       8.165    4 
+    860000      172000.00      29.826     -45.283     -15.457   4.58 0.214 0.700 0.150 0.275     270.594     250.000       8.041    4 
+    870000      174000.00      31.368     -44.742     -13.374   3.16 0.286 0.714 0.214 1.326     284.588     250.000       6.893    4 
+    880000      176000.00      29.936     -48.512     -18.576   5.44 0.286 0.636 0.202 0.368     271.598     250.000       8.151    4 
+    890000      178000.00      24.802     -55.494     -30.691   5.07 0.286 0.600 0.173 0.654     225.019     250.000       8.053    4 
+    900000      180000.00      27.284     -45.646     -18.361   4.28 0.286 0.636 0.202 0.156     247.537     250.000       7.716    4 
+    910000      182000.00      26.013     -46.848     -20.835   4.49 0.357 0.545 0.178 0.563     236.003     260.000       7.899    4 
+    920000      184000.00      18.896     -47.070     -28.174   4.47 0.429 0.500 0.205 0.580     171.430     260.000       8.016    4 
+    930000      186000.00      21.826     -48.928     -27.102   4.74 0.214 0.727 0.198 0.463     198.016     260.000       7.698    4 
+    940000      188000.00      25.611     -50.322     -24.711   3.66 0.357 0.706 0.206 0.743     232.355     260.000       7.234    4 
+    950000      190000.00      28.632     -41.406     -12.774   4.09 0.357 0.583 0.178 0.912     259.762     260.000       7.603    4 
+    960000      192000.00      27.410     -44.413     -17.003   4.26 0.429 0.400 0.182 0.581     248.675     260.000       7.818    4 
+    970000      194000.00      25.962     -41.385     -15.423   4.55 0.286 0.556 0.172 0.480     235.540     260.000       8.263    4 
+    980000      196000.00      28.956     -41.952     -12.996   5.00 0.357 0.667 0.197 0.260     262.703     260.000       7.272    4 
+    990000      198000.00      33.363     -25.580       7.783   7.80 0.143 0.778 0.167 1.325     302.686     260.000       9.267    4 
+   1000000      200000.00      35.668     -43.151      -7.483   4.33 0.286 0.600 0.173 0.264     323.598     260.000       8.052    4 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB005.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB005.stat
index 91e439c..e4aa243 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB005.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB005.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.208     116.457     146.664  12.87 0.000   NaN   NaN 4.851     274.059     260.000      15.552    5 
-     10000        2000.00      21.174     -41.068     -19.894   2.39 0.286 0.667 0.254 0.318     192.104     260.000       6.782    5 
-     20000        4000.00      26.839     -46.740     -19.902   2.56 0.357 0.583 0.292 0.407     243.494     260.000       6.888    5 
-     30000        6000.00      27.156     -45.273     -18.117   2.60 0.429 0.600 0.291 0.429     246.374     260.000       6.741    5 
-     40000        8000.00      22.662     -51.211     -28.549   2.65 0.429 0.625 0.230 0.334     205.599     260.000       6.853    5 
-     50000       10000.00      26.724     -50.098     -23.373   2.77 0.429 0.667 0.343 0.317     242.457     260.000       6.618    5 
-     60000       12000.00      27.782     -56.568     -28.785   3.13 0.286 0.714 0.315 0.625     252.057     260.000       6.224    5 
-     70000       14000.00      21.820     -46.936     -25.116   3.27 0.429 0.455 0.165 0.368     197.964     260.000       7.303    5 
-     80000       16000.00      20.738     -52.390     -31.651   2.69 0.500 0.611 0.220 0.413     188.149     260.000       6.761    5 
-     90000       18000.00      23.541     -52.669     -29.128   2.29 0.429 0.571 0.273 0.397     213.578     260.000       6.595    5 
-    100000       20000.00      22.522     -46.415     -23.892   2.78 0.500 0.462 0.231 0.219     204.334     260.000       6.825    5 
-    110000       22000.00      32.439     -38.173      -5.734   2.47 0.357 0.667 0.242 0.324     294.302     270.000       6.703    5 
-    120000       24000.00      32.857     -44.678     -11.821   3.31 0.357 0.545 0.169 0.374     298.095     270.000       7.471    5 
-    130000       26000.00      31.004     -38.407      -7.402   2.83 0.429 0.538 0.290 0.337     281.288     270.000       6.652    5 
-    140000       28000.00      29.623     -42.207     -12.583   2.96 0.429 0.600 0.258 0.357     268.760     270.000       6.643    5 
-    150000       30000.00      30.899     -44.732     -13.834   2.70 0.429 0.538 0.287 0.810     280.329     270.000       6.838    5 
-    160000       32000.00      31.163     -41.281     -10.118   2.95 0.214 0.786 0.334 0.784     282.722     270.000       6.545    5 
-    170000       34000.00      27.919     -41.200     -13.281   2.81 0.286 0.636 0.219 0.586     253.296     270.000       7.115    5 
-    180000       36000.00      31.448     -40.276      -8.828   3.48 0.357 0.643 0.256 0.405     285.314     270.000       6.899    5 
-    190000       38000.00      26.411     -50.604     -24.193   2.49 0.429 0.647 0.265 0.323     239.611     270.000       6.654    5 
-    200000       40000.00      34.804     -37.012      -2.208   2.43 0.500 0.300 0.200 0.205     315.755     270.000       7.122    5 
-    210000       42000.00      24.768     -50.554     -25.787   2.52 0.286 0.667 0.250 0.222     224.705     260.000       6.627    5 
-    220000       44000.00      29.196     -55.054     -25.858   3.01 0.286 0.733 0.348 0.668     264.879     260.000       6.174    5 
-    230000       46000.00      30.063     -49.190     -19.128   2.75 0.357 0.583 0.242 0.606     272.745     260.000       6.719    5 
-    240000       48000.00      27.637     -46.783     -19.146   3.37 0.286 0.750 0.321 0.578     250.737     260.000       6.374    5 
-    250000       50000.00      27.007     -41.642     -14.635   2.83 0.429 0.600 0.270 0.633     245.018     260.000       6.449    5 
-    260000       52000.00      26.365     -49.078     -22.713   2.70 0.357 0.667 0.264 0.518     239.194     260.000       6.300    5 
-    270000       54000.00      33.629     -42.188      -8.559   2.56 0.286 0.667 0.273 0.508     305.101     260.000       6.634    5 
-    280000       56000.00      23.545     -53.858     -30.312   2.63 0.429 0.538 0.248 0.368     213.616     260.000       6.603    5 
-    290000       58000.00      22.254     -53.958     -31.704   2.89 0.357 0.500 0.173 0.529     201.899     260.000       6.860    5 
-    300000       60000.00      25.223     -41.803     -16.580   2.61 0.357 0.545 0.207 0.547     228.837     260.000       7.040    5 
-    310000       62000.00      24.649     -46.099     -21.450   2.93 0.429 0.500 0.220 0.625     223.628     260.000       6.794    5 
-    320000       64000.00      21.118     -53.683     -32.565   2.73 0.429 0.571 0.315 0.276     191.597     260.000       6.463    5 
-    330000       66000.00      34.046     -47.469     -13.423   2.97 0.214 0.727 0.227 0.432     308.883     260.000       6.890    5 
-    340000       68000.00      24.919     -49.730     -24.810   2.90 0.286 0.600 0.255 0.429     226.081     260.000       6.795    5 
-    350000       70000.00      28.498     -49.528     -21.030   2.69 0.429 0.571 0.198 0.110     258.550     260.000       7.176    5 
-    360000       72000.00      28.007     -46.627     -18.620   2.82 0.357 0.667 0.267 0.448     254.098     260.000       6.938    5 
-    370000       74000.00      30.504     -49.294     -18.790   2.98 0.357 0.643 0.289 0.883     276.749     260.000       6.882    5 
-    380000       76000.00      23.775     -47.592     -23.817   2.91 0.357 0.500 0.177 0.341     215.699     260.000       6.952    5 
-    390000       78000.00      24.690     -53.868     -29.178   2.73 0.429 0.714 0.299 0.239     223.999     260.000       6.200    5 
-    400000       80000.00      26.330     -49.606     -23.276   2.70 0.571 0.385 0.255 0.901     238.879     260.000       6.588    5 
-    410000       82000.00      24.827     -56.525     -31.699   2.53 0.429 0.647 0.316 0.955     225.239     250.000       6.426    5 
-    420000       84000.00      23.018     -53.396     -30.378   2.68 0.429 0.647 0.318 0.234     208.835     250.000       6.590    5 
-    430000       86000.00      21.590     -57.580     -35.989   2.90 0.429 0.538 0.171 0.384     195.880     250.000       7.446    5 
-    440000       88000.00      29.326     -62.525     -33.199   2.77 0.429 0.714 0.372 0.271     266.060     250.000       6.276    5 
-    450000       90000.00      24.150     -46.961     -22.811   4.34 0.429 0.455 0.169 0.320     219.098     250.000       8.341    5 
-    460000       92000.00      27.157     -52.203     -25.046   2.65 0.214 0.786 0.253 0.673     246.384     250.000       6.770    5 
-    470000       94000.00      20.597     -59.988     -39.391   2.81 0.357 0.583 0.167 0.738     186.866     250.000       6.884    5 
-    480000       96000.00      21.348     -56.643     -35.294   2.90 0.286 0.750 0.420 0.356     193.684     250.000       6.086    5 
-    490000       98000.00      27.942     -55.424     -27.482   2.58 0.429 0.571 0.218 0.420     253.504     250.000       7.037    5 
-    500000      100000.00      32.239     -52.867     -20.628   2.91 0.357 0.688 0.219 0.565     292.493     250.000       6.376    5 
-    510000      102000.00      25.810     -40.132     -14.322   1.90 0.286 0.636 0.256 0.667     234.163     270.000       6.738    5 
-    520000      104000.00      23.211     -37.550     -14.339   2.62 0.214 0.667 0.222 0.488     210.580     270.000       7.268    5 
-    530000      106000.00      27.471     -48.020     -20.549   2.87 0.429 0.571 0.195 0.210     249.230     270.000       6.886    5 
-    540000      108000.00      23.303     -44.098     -20.796   2.83 0.500 0.611 0.348 0.587     211.414     270.000       6.590    5 
-    550000      110000.00      25.768     -47.530     -21.762   2.96 0.429 0.538 0.248 0.455     233.778     270.000       6.184    5 
-    560000      112000.00      31.902     -42.341     -10.439   2.49 0.286 0.714 0.286 0.364     289.429     270.000       6.716    5 
-    570000      114000.00      30.823     -40.632      -9.809   3.18 0.357 0.500 0.159 0.605     279.640     270.000       7.517    5 
-    580000      116000.00      32.428     -47.922     -15.494   2.78 0.357 0.667 0.185 0.690     294.207     270.000       7.034    5 
-    590000      118000.00      32.835     -34.747      -1.913   2.86 0.357 0.375 0.193 0.383     297.892     270.000       7.272    5 
-    600000      120000.00      24.337     -43.455     -19.118   3.00 0.286 0.636 0.289 0.443     220.800     270.000       7.026    5 
-    610000      122000.00      27.900     -43.074     -15.174   3.06 0.429 0.600 0.200 0.162     253.122     260.000       7.319    5 
-    620000      124000.00      29.742     -47.112     -17.370   3.06 0.286 0.600 0.195 0.393     269.838     260.000       6.996    5 
-    630000      126000.00      34.120     -45.078     -10.957   2.95 0.429 0.571 0.328 0.525     309.557     260.000       6.656    5 
-    640000      128000.00      28.947     -48.757     -19.811   3.09 0.286 0.692 0.273 0.299     262.620     260.000       6.570    5 
-    650000      130000.00      24.439     -39.123     -14.684   2.97 0.286 0.556 0.182 0.783     221.725     260.000       6.834    5 
-    660000      132000.00      18.970     -51.098     -32.128   2.43 0.429 0.625 0.256 0.289     172.104     260.000       6.458    5 
-    670000      134000.00      23.854     -48.598     -24.745   3.30 0.286 0.692 0.231 0.247     216.414     260.000       7.435    5 
-    680000      136000.00      28.733     -51.573     -22.840   3.14 0.214 0.769 0.371 0.668     260.678     260.000       6.383    5 
-    690000      138000.00      26.669     -48.676     -22.007   2.79 0.357 0.643 0.289 0.206     241.958     260.000       6.479    5 
-    700000      140000.00      26.102     -51.349     -25.247   2.88 0.286 0.714 0.269 0.552     236.809     260.000       6.325    5 
-    710000      142000.00      26.940     -55.244     -28.304   2.75 0.286 0.750 0.293 0.972     244.413     250.000       6.460    5 
-    720000      144000.00      23.422     -51.440     -28.019   2.99 0.429 0.600 0.197 0.347     212.493     250.000       7.144    5 
-    730000      146000.00      21.244     -52.572     -31.328   3.05 0.214 0.750 0.295 0.945     192.734     250.000       6.575    5 
-    740000      148000.00      29.294     -56.802     -27.508   2.76 0.214 0.727 0.231 0.638     265.772     250.000       6.798    5 
-    750000      150000.00      24.974     -50.474     -25.500   2.95 0.429 0.538 0.241 0.284     226.574     250.000       6.532    5 
-    760000      152000.00      27.186     -51.402     -24.216   2.80 0.500 0.500 0.205 0.330     246.646     250.000       6.760    5 
-    770000      154000.00      23.205     -50.380     -27.175   2.93 0.214 0.824 0.388 0.436     210.526     250.000       6.203    5 
-    780000      156000.00      27.849     -57.881     -30.032   2.86 0.500 0.462 0.164 0.321     252.657     250.000       7.251    5 
-    790000      158000.00      25.047     -55.933     -30.885   2.91 0.214 0.800 0.279 0.424     227.242     250.000       6.339    5 
-    800000      160000.00      31.683     -57.853     -26.170   2.90 0.500 0.632 0.335 0.399     287.446     250.000       6.311    5 
-    810000      162000.00      22.975     -55.219     -32.244   2.70 0.429 0.600 0.224 0.226     208.441     250.000       6.792    5 
-    820000      164000.00      26.446     -51.317     -24.871   2.25 0.429 0.538 0.210 0.705     239.929     250.000       6.824    5 
-    830000      166000.00      24.162     -53.228     -29.066   3.20 0.357 0.545 0.194 0.383     219.208     250.000       7.238    5 
-    840000      168000.00      21.626     -60.115     -38.490   2.97 0.643 0.357 0.247 0.207     196.201     250.000       6.679    5 
-    850000      170000.00      23.726     -54.080     -30.353   2.58 0.357 0.688 0.273 0.744     215.257     250.000       6.502    5 
-    860000      172000.00      27.661     -48.652     -20.991   2.80 0.500 0.462 0.238 0.373     250.954     250.000       6.714    5 
-    870000      174000.00      22.952     -56.585     -33.633   2.78 0.357 0.615 0.217 0.573     208.230     250.000       6.720    5 
-    880000      176000.00      22.721     -54.793     -32.072   2.69 0.357 0.615 0.234 0.415     206.134     250.000       6.483    5 
-    890000      178000.00      22.313     -46.624     -24.311   2.99 0.429 0.571 0.276 0.525     202.435     250.000       6.789    5 
-    900000      180000.00      25.897     -61.113     -35.216   2.74 0.500 0.611 0.265 0.674     234.950     250.000       6.799    5 
-    910000      182000.00      33.680     -52.071     -18.391   2.59 0.500 0.533 0.245 0.503     305.561     250.000       6.509    5 
-    920000      184000.00      27.123     -53.663     -26.539   2.77 0.357 0.706 0.270 0.174     246.078     250.000       6.376    5 
-    930000      186000.00      19.864     -55.270     -35.406   2.95 0.500 0.533 0.264 0.446     180.217     250.000       6.899    5 
-    940000      188000.00      31.418     -53.242     -21.825   2.95 0.214 0.727 0.219 0.322     285.037     250.000       6.915    5 
-    950000      190000.00      25.959     -54.103     -28.144   3.38 0.429 0.625 0.338 0.556     235.517     250.000       6.349    5 
-    960000      192000.00      25.804     -58.273     -32.469   2.77 0.429 0.571 0.240 0.694     234.109     250.000       6.773    5 
-    970000      194000.00      30.437     -57.214     -26.777   3.05 0.286 0.692 0.290 0.643     276.136     250.000       6.463    5 
-    980000      196000.00      25.896     -52.337     -26.441   2.85 0.357 0.688 0.264 0.641     234.939     250.000       6.524    5 
-    990000      198000.00      27.181     -51.123     -23.942   3.18 0.286 0.636 0.293 0.239     246.601     250.000       7.012    5 
-   1000000      200000.00      24.971     -56.650     -31.679   2.79 0.429 0.647 0.340 0.459     226.547     250.000       6.241    5 
+         0           0.00      31.369     116.133     147.502  12.87 0.000   NaN   NaN 4.851     284.600     270.000      15.552    5 
+     10000        2000.00      22.621     -47.187     -24.566   5.94 0.214 0.800 0.297 0.315     205.230     270.000       6.568    5 
+     20000        4000.00      27.624     -46.504     -18.880   5.45 0.143 0.846 0.308 0.225     250.621     270.000       6.215    5 
+     30000        6000.00      26.860     -35.345      -8.485   5.56 0.143 0.846 0.318 0.438     243.689     270.000       6.998    5 
+     40000        8000.00      24.848     -49.028     -24.180   5.89 0.286 0.733 0.264 0.541     225.434     270.000       6.766    5 
+     50000       10000.00      24.901     -42.964     -18.063   5.73 0.143 0.833 0.265 0.660     225.913     270.000       6.978    5 
+     60000       12000.00      26.713     -36.266      -9.553   6.17 0.214 0.800 0.282 0.862     242.350     270.000       6.213    5 
+     70000       14000.00      19.950     -39.108     -19.158   6.16 0.143 0.846 0.308 0.343     180.997     270.000       6.874    5 
+     80000       16000.00      23.700     -42.636     -18.936   5.68 0.214 0.833 0.283 0.181     215.019     270.000       7.253    5 
+     90000       18000.00      22.778     -45.291     -22.513   5.87 0.214 0.786 0.273 0.495     206.652     270.000       6.652    5 
+    100000       20000.00      24.395     -39.188     -14.793   5.97 0.214 0.769 0.266 0.613     221.323     270.000       6.422    5 
+    110000       22000.00      30.452     -23.457       6.994   4.30 0.143 0.833 0.383 0.557     276.272     290.000       6.379    5 
+    120000       24000.00      36.267     -25.529      10.738   3.86 0.214 0.727 0.355 0.587     329.031     290.000       6.919    5 
+    130000       26000.00      36.044     -40.657      -4.613   3.05 0.286 0.778 0.326 0.385     327.009     290.000       6.159    5 
+    140000       28000.00      32.735     -35.068      -2.333   2.80 0.286 0.636 0.269 0.094     296.984     290.000       6.905    5 
+    150000       30000.00      32.097     -20.146      11.951   2.61 0.357 0.583 0.269 0.209     291.203     290.000       6.976    5 
+    160000       32000.00      32.413     -24.397       8.015   3.47 0.071 0.875 0.244 1.287     294.064     290.000       6.776    5 
+    170000       34000.00      28.531     -27.724       0.807   3.04 0.357 0.583 0.311 0.316     258.845     290.000       6.840    5 
+    180000       36000.00      32.368     -26.353       6.015   2.74 0.429 0.600 0.276 0.479     293.662     290.000       6.902    5 
+    190000       38000.00      27.861     -38.614     -10.753   3.81 0.286 0.778 0.381 0.360     252.773     290.000       6.269    5 
+    200000       40000.00      37.760     -29.966       7.794   3.37 0.286 0.750 0.270 0.299     342.582     290.000       6.781    5 
+    210000       42000.00      26.475     -39.209     -12.735   2.61 0.214 0.700 0.286 0.615     240.194     280.000       6.730    5 
+    220000       44000.00      29.269     -32.292      -3.023   2.94 0.357 0.286 0.182 0.397     265.547     280.000       7.104    5 
+    230000       46000.00      30.386     -30.962      -0.575   5.32 0.071 0.889 0.232 0.364     275.681     280.000       7.538    5 
+    240000       48000.00      29.700     -30.667      -0.967   6.46 0.214 0.571 0.156 0.422     269.452     280.000       8.400    5 
+    250000       50000.00      25.825     -38.158     -12.333   2.66 0.357 0.667 0.309 0.886     234.300     280.000       6.534    5 
+    260000       52000.00      28.119     -37.221      -9.102   2.90 0.286 0.600 0.218 0.676     255.106     280.000       7.172    5 
+    270000       54000.00      36.130     -32.942       3.188   2.28 0.429 0.333 0.212 0.630     327.788     280.000       6.927    5 
+    280000       56000.00      25.209     -43.149     -17.940   3.27 0.429 0.647 0.289 0.251     228.709     280.000       6.594    5 
+    290000       58000.00      25.615     -29.701      -4.086   2.83 0.429 0.538 0.259 0.532     232.391     280.000       7.118    5 
+    300000       60000.00      28.257     -42.429     -14.172   2.87 0.429 0.600 0.282 0.903     256.363     280.000       6.510    5 
+    310000       62000.00      24.418     -44.249     -19.831   3.01 0.286 0.636 0.190 0.285     221.535     260.000       7.026    5 
+    320000       64000.00      20.342     -43.856     -23.514   2.81 0.357 0.583 0.223 0.479     184.550     260.000       6.970    5 
+    330000       66000.00      35.115     -52.595     -17.481   2.68 0.214 0.769 0.304 0.285     318.578     260.000       6.531    5 
+    340000       68000.00      26.086     -54.114     -28.028   2.65 0.357 0.688 0.273 0.387     236.666     260.000       6.444    5 
+    350000       70000.00      28.072     -48.140     -20.067   2.71 0.286 0.714 0.227 0.456     254.687     260.000       6.677    5 
+    360000       72000.00      26.515     -41.711     -15.195   3.01 0.357 0.667 0.248 0.861     240.559     260.000       6.406    5 
+    370000       74000.00      30.194     -46.249     -16.055   2.97 0.429 0.500 0.254 0.278     273.932     260.000       6.876    5 
+    380000       76000.00      24.597     -44.824     -20.227   2.97 0.214 0.667 0.202 0.759     223.155     260.000       7.231    5 
+    390000       78000.00      23.891     -55.152     -31.261   2.50 0.429 0.625 0.293 0.377     216.750     260.000       6.782    5 
+    400000       80000.00      24.253     -49.576     -25.323   2.66 0.286 0.733 0.291 0.801     220.032     260.000       6.339    5 
+    410000       82000.00      25.083     -46.775     -21.692   2.75 0.357 0.643 0.269 1.107     227.566     250.000       6.591    5 
+    420000       84000.00      21.449     -52.680     -31.231   2.94 0.357 0.615 0.213 0.348     194.596     250.000       6.974    5 
+    430000       86000.00      21.851     -55.859     -34.007   2.83 0.286 0.556 0.197 0.212     198.248     250.000       7.227    5 
+    440000       88000.00      30.684     -57.594     -26.910   2.96 0.429 0.625 0.335 0.829     278.385     250.000       6.456    5 
+    450000       90000.00      23.965     -60.382     -36.417   2.81 0.286 0.765 0.326 0.242     217.422     250.000       6.199    5 
+    460000       92000.00      27.905     -57.108     -29.203   2.52 0.286 0.636 0.198 0.176     253.172     250.000       6.485    5 
+    470000       94000.00      21.248     -51.577     -30.328   2.49 0.357 0.545 0.236 0.614     192.776     250.000       6.689    5 
+    480000       96000.00      22.197     -53.551     -31.354   2.70 0.357 0.615 0.213 0.826     201.384     250.000       6.983    5 
+    490000       98000.00      26.774     -54.001     -27.227   2.61 0.429 0.571 0.237 0.526     242.906     250.000       6.540    5 
+    500000      100000.00      32.993     -48.094     -15.101   4.23 0.286 0.500 0.182 0.331     299.329     250.000       7.573    5 
+    510000      102000.00      24.175     -56.801     -32.626   2.74 0.500 0.500 0.201 0.385     219.328     250.000       6.759    5 
+    520000      104000.00      20.855     -57.527     -36.672   2.62 0.357 0.615 0.266 0.264     189.210     250.000       6.677    5 
+    530000      106000.00      26.122     -63.944     -37.822   2.88 0.429 0.667 0.369 0.222     236.996     250.000       6.246    5 
+    540000      108000.00      23.021     -53.266     -30.245   2.44 0.429 0.625 0.219 0.726     208.856     250.000       6.730    5 
+    550000      110000.00      22.816     -46.940     -24.124   3.09 0.357 0.545 0.174 0.291     206.999     250.000       7.317    5 
+    560000      112000.00      30.083     -49.761     -19.678   2.82 0.357 0.667 0.212 0.440     272.931     250.000       6.811    5 
+    570000      114000.00      27.253     -50.987     -23.734   2.80 0.357 0.643 0.318 0.316     247.253     250.000       6.728    5 
+    580000      116000.00      29.541     -52.169     -22.628   2.70 0.357 0.667 0.361 0.447     268.010     250.000       6.562    5 
+    590000      118000.00      26.964     -56.548     -29.584   2.93 0.500 0.533 0.255 0.532     244.631     250.000       6.842    5 
+    600000      120000.00      23.406     -52.023     -28.618   2.69 0.286 0.714 0.286 0.614     212.347     250.000       6.516    5 
+    610000      122000.00      28.552     -51.057     -22.505   2.81 0.357 0.737 0.347 0.635     259.039     260.000       6.255    5 
+    620000      124000.00      29.171     -54.746     -25.575   2.82 0.429 0.571 0.263 0.322     264.657     260.000       6.854    5 
+    630000      126000.00      32.708     -44.626     -11.918   2.89 0.500 0.500 0.208 0.390     296.748     260.000       6.721    5 
+    640000      128000.00      26.148     -45.669     -19.521   3.01 0.429 0.571 0.182 0.324     237.229     260.000       7.096    5 
+    650000      130000.00      24.597     -56.757     -32.160   2.57 0.357 0.667 0.339 0.572     223.154     260.000       6.409    5 
+    660000      132000.00      17.401     -43.637     -26.236   3.16 0.357 0.545 0.227 0.271     157.874     260.000       7.565    5 
+    670000      134000.00      24.664     -54.382     -29.717   2.69 0.286 0.750 0.281 0.300     223.769     260.000       6.279    5 
+    680000      136000.00      27.612     -47.346     -19.734   2.71 0.286 0.636 0.269 0.745     250.513     260.000       6.667    5 
+    690000      138000.00      26.186     -50.444     -24.258   3.47 0.571 0.619 0.307 0.245     237.569     260.000       6.448    5 
+    700000      140000.00      25.376     -47.625     -22.249   2.88 0.286 0.556 0.242 0.811     230.224     260.000       7.024    5 
+    710000      142000.00      27.031     -45.247     -18.216   2.93 0.214 0.700 0.286 0.494     245.243     250.000       7.083    5 
+    720000      144000.00      24.177     -57.022     -32.846   3.02 0.286 0.714 0.292 0.862     219.343     250.000       6.574    5 
+    730000      146000.00      19.524     -60.911     -41.387   2.77 0.357 0.643 0.273 0.605     177.131     250.000       6.435    5 
+    740000      148000.00      27.554     -54.780     -27.226   3.03 0.357 0.706 0.283 0.480     249.982     250.000       6.327    5 
+    750000      150000.00      24.116     -48.921     -24.805   2.79 0.429 0.500 0.186 1.016     218.796     250.000       7.224    5 
+    760000      152000.00      25.342     -50.939     -25.597   2.81 0.143 0.818 0.351 0.834     229.916     250.000       6.575    5 
+    770000      154000.00      25.435     -59.212     -33.777   2.80 0.286 0.692 0.269 0.535     230.762     250.000       6.647    5 
+    780000      156000.00      26.954     -51.523     -24.568   2.83 0.286 0.750 0.310 0.636     244.545     250.000       6.686    5 
+    790000      158000.00      23.943     -54.032     -30.089   2.96 0.286 0.714 0.269 0.524     217.226     250.000       6.762    5 
+    800000      160000.00      33.042     -57.222     -24.180   2.93 0.357 0.667 0.197 0.246     299.772     250.000       6.810    5 
+    810000      162000.00      24.396     -54.844     -30.448   2.64 0.286 0.714 0.218 0.777     221.336     250.000       6.906    5 
+    820000      164000.00      26.817     -57.421     -30.604   3.07 0.357 0.643 0.231 0.674     243.297     250.000       7.112    5 
+    830000      166000.00      22.627     -57.612     -34.985   2.70 0.357 0.706 0.345 0.245     205.283     250.000       6.352    5 
+    840000      168000.00      20.560     -54.573     -34.013   2.76 0.571 0.579 0.287 0.548     186.533     250.000       6.530    5 
+    850000      170000.00      23.939     -49.982     -26.042   2.40 0.357 0.643 0.208 0.330     217.191     250.000       6.773    5 
+    860000      172000.00      28.501     -58.097     -29.596   3.12 0.429 0.714 0.310 0.467     258.576     250.000       6.148    5 
+    870000      174000.00      24.679     -52.995     -28.316   3.02 0.429 0.538 0.220 0.494     223.899     250.000       6.413    5 
+    880000      176000.00      19.519     -48.747     -29.229   2.89 0.357 0.615 0.266 0.764     177.083     250.000       6.554    5 
+    890000      178000.00      23.412     -51.470     -28.058   2.83 0.357 0.643 0.182 0.262     212.410     250.000       7.069    5 
+    900000      180000.00      23.881     -54.563     -30.681   2.67 0.429 0.625 0.338 0.482     216.665     250.000       6.350    5 
+    910000      182000.00      31.055     -50.191     -19.137   2.71 0.643 0.438 0.236 1.059     281.743     250.000       6.810    5 
+    920000      184000.00      26.000     -59.247     -33.248   2.82 0.500 0.462 0.245 0.254     235.882     250.000       6.827    5 
+    930000      186000.00      21.252     -56.983     -35.731   2.49 0.429 0.538 0.248 0.566     192.813     250.000       6.610    5 
+    940000      188000.00      31.714     -50.782     -19.068   2.98 0.286 0.714 0.260 0.578     287.727     250.000       6.411    5 
+    950000      190000.00      25.865     -48.848     -22.982   2.85 0.286 0.714 0.179 0.111     234.662     250.000       7.333    5 
+    960000      192000.00      28.089     -58.692     -30.603   2.86 0.500 0.533 0.318 0.684     254.839     250.000       6.797    5 
+    970000      194000.00      29.575     -62.429     -32.854   2.73 0.357 0.688 0.315 0.505     268.319     250.000       6.484    5 
+    980000      196000.00      27.278     -51.935     -24.657   2.67 0.357 0.615 0.231 0.523     247.481     250.000       6.856    5 
+    990000      198000.00      26.812     -46.468     -19.656   2.76 0.357 0.545 0.231 0.482     243.252     250.000       6.731    5 
+   1000000      200000.00      22.553     -52.266     -29.713   3.29 0.357 0.643 0.195 0.277     204.615     250.000       7.275    5 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB006.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB006.stat
index c67c26a..0832076 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB006.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB006.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.961     116.457     147.418  12.87 0.000   NaN   NaN 4.851     280.893     260.000      15.552    6 
-     10000        2000.00      23.258     -24.721      -1.463   6.39 0.143 0.857 0.331 0.388     211.007     260.000       7.653    6 
-     20000        4000.00      27.819     -42.088     -14.269   4.81 0.286 0.714 0.256 0.316     252.390     260.000       6.644    6 
-     30000        6000.00      22.097     -44.686     -22.589   4.68 0.357 0.667 0.352 0.310     200.477     260.000       6.972    6 
-     40000        8000.00      25.314     -45.269     -19.956   4.11 0.357 0.643 0.315 0.275     229.660     260.000       6.933    6 
-     50000       10000.00      20.201     -44.787     -24.586   4.42 0.429 0.647 0.356 0.530     183.277     260.000       6.605    6 
-     60000       12000.00      31.521     -50.673     -19.152   4.21 0.429 0.625 0.310 0.546     285.972     260.000       6.187    6 
-     70000       14000.00      30.747     -49.474     -18.727   4.34 0.357 0.706 0.257 0.410     278.954     260.000       6.936    6 
-     80000       16000.00      30.050     -43.161     -13.111   4.08 0.357 0.706 0.356 0.427     272.632     260.000       6.951    6 
-     90000       18000.00      25.223     -50.005     -24.783   4.18 0.357 0.706 0.329 0.924     228.835     260.000       6.279    6 
-    100000       20000.00      27.559     -45.943     -18.384   3.88 0.357 0.706 0.283 0.299     250.028     260.000       6.480    6 
-    110000       22000.00      26.040     -46.501     -20.460   4.10 0.286 0.692 0.339 0.384     236.251     250.000       6.589    6 
-    120000       24000.00      22.731     -52.981     -30.251   3.98 0.357 0.722 0.343 0.246     206.224     250.000       6.472    6 
-    130000       26000.00      23.433     -46.405     -22.971   4.22 0.286 0.778 0.389 0.296     212.597     250.000       6.407    6 
-    140000       28000.00      25.497     -42.258     -16.761   4.42 0.286 0.667 0.261 0.793     231.322     250.000       6.512    6 
-    150000       30000.00      21.618     -54.349     -32.731   3.94 0.357 0.643 0.318 0.603     196.130     250.000       6.575    6 
-    160000       32000.00      23.810     -45.295     -21.486   3.99 0.286 0.714 0.315 0.614     216.013     250.000       6.625    6 
-    170000       34000.00      24.028     -49.613     -25.585   5.44 0.357 0.583 0.170 0.447     217.993     250.000       8.758    6 
-    180000       36000.00      19.488     -41.220     -21.732   4.16 0.286 0.692 0.175 0.315     176.802     250.000       7.829    6 
-    190000       38000.00      23.219     -45.161     -21.942   3.16 0.500 0.562 0.199 0.561     210.653     250.000       7.289    6 
-    200000       40000.00      25.655     -51.505     -25.850   3.54 0.214 0.769 0.196 0.425     232.752     250.000       7.117    6 
-    210000       42000.00      25.788     -39.071     -13.283   5.04 0.214 0.727 0.165 0.822     233.965     250.000       8.302    6 
-    220000       44000.00      27.228     -48.977     -21.749   5.39 0.357 0.688 0.179 1.138     247.026     250.000       8.300    6 
-    230000       46000.00      24.656     -48.921     -24.265   4.36 0.286 0.636 0.182 0.953     223.696     250.000       7.651    6 
-    240000       48000.00      28.794     -47.762     -18.968   5.08 0.214 0.667 0.202 0.626     261.230     250.000       8.170    6 
-    250000       50000.00      27.461     -51.511     -24.050   3.72 0.357 0.545 0.174 0.282     249.145     250.000       7.390    6 
-    260000       52000.00      23.335     -44.670     -21.335   4.81 0.286 0.600 0.159 0.431     211.709     250.000       8.151    6 
-    270000       54000.00      24.456     -53.111     -28.655   3.76 0.214 0.727 0.207 0.351     221.877     250.000       7.606    6 
-    280000       56000.00      24.889     -49.103     -24.214   5.07 0.357 0.667 0.194 0.273     225.810     250.000       7.995    6 
-    290000       58000.00      30.025     -44.073     -14.048   4.90 0.214 0.667 0.172 0.508     272.407     250.000       8.100    6 
-    300000       60000.00      18.535     -55.444     -36.909   4.03 0.357 0.545 0.174 0.166     168.160     250.000       7.632    6 
-    310000       62000.00      24.891     -54.507     -29.616   3.77 0.214 0.700 0.200 0.840     225.826     250.000       7.448    6 
-    320000       64000.00      23.237     -48.684     -25.447   3.56 0.214 0.786 0.201 1.089     210.822     250.000       7.066    6 
-    330000       66000.00      22.950     -53.628     -30.678   4.58 0.286 0.600 0.177 0.584     208.214     250.000       8.220    6 
-    340000       68000.00      29.711     -51.025     -21.314   4.83 0.286 0.714 0.195 0.402     269.557     250.000       8.132    6 
-    350000       70000.00      29.944     -51.014     -21.070   6.19 0.357 0.667 0.182 0.635     271.671     250.000       8.368    6 
-    360000       72000.00      24.143     -53.325     -29.182   3.55 0.357 0.667 0.194 0.645     219.041     250.000       7.294    6 
-    370000       74000.00      28.723     -52.310     -23.588   3.59 0.214 0.700 0.164 0.745     260.586     250.000       7.389    6 
-    380000       76000.00      29.143     -50.455     -21.313   4.11 0.214 0.750 0.178 0.559     264.396     250.000       7.700    6 
-    390000       78000.00      23.850     -51.865     -28.014   4.66 0.286 0.636 0.161 0.553     216.384     250.000       8.028    6 
-    400000       80000.00      23.656     -47.893     -24.237   4.39 0.143 0.818 0.190 0.228     214.617     250.000       7.765    6 
-    410000       82000.00      21.842     -45.271     -23.429   4.07 0.357 0.643 0.198 0.558     198.160     250.000       7.524    6 
-    420000       84000.00      22.459     -50.095     -27.637   4.76 0.214 0.750 0.170 0.253     203.756     250.000       8.046    6 
-    430000       86000.00      25.111     -48.612     -23.501   4.55 0.071 0.857 0.175 0.275     227.821     250.000       7.899    6 
-    440000       88000.00      24.010     -52.352     -28.343   4.61 0.429 0.571 0.188 0.168     217.828     250.000       7.791    6 
-    450000       90000.00      23.330     -51.690     -28.360   3.60 0.286 0.667 0.189 0.303     211.663     250.000       7.747    6 
-    460000       92000.00      27.542     -48.623     -21.081   5.30 0.214 0.750 0.212 0.325     249.874     250.000       8.227    6 
-    470000       94000.00      26.843     -45.205     -18.362   6.63 0.357 0.500 0.159 0.596     243.531     250.000       8.801    6 
-    480000       96000.00      23.999     -42.819     -18.820   5.55 0.429 0.455 0.165 0.536     217.730     250.000       8.338    6 
-    490000       98000.00      22.515     -39.978     -17.463   5.30 0.357 0.615 0.164 0.644     204.272     250.000       8.248    6 
-    500000      100000.00      34.422     -45.652     -11.230   5.40 0.357 0.545 0.169 1.101     312.292     250.000       8.054    6 
-    510000      102000.00      28.356     -37.106      -8.750   4.13 0.143 0.667 0.182 0.495     257.261     260.000       8.348    6 
-    520000      104000.00      23.514     -30.023      -6.509   4.57 0.286 0.600 0.177 0.509     213.330     260.000       7.228    6 
-    530000      106000.00      29.771     -39.821     -10.050   4.83 0.286 0.714 0.295 0.399     270.100     260.000       7.124    6 
-    540000      108000.00      28.354     -44.580     -16.226   3.95 0.286 0.667 0.303 0.321     257.242     260.000       7.148    6 
-    550000      110000.00      29.938     -45.232     -15.294   3.92 0.286 0.733 0.321 1.221     271.614     260.000       6.676    6 
-    560000      112000.00      29.310     -43.165     -13.855   5.29 0.286 0.636 0.161 0.393     265.915     260.000       8.553    6 
-    570000      114000.00      33.538     -42.540      -9.002   3.98 0.429 0.571 0.169 0.737     304.276     260.000       7.605    6 
-    580000      116000.00      30.083     -46.280     -16.197   4.36 0.286 0.733 0.224 0.249     272.927     260.000       6.721    6 
-    590000      118000.00      28.047     -43.834     -15.788   5.33 0.286 0.692 0.161 0.799     254.453     260.000       8.161    6 
-    600000      120000.00      32.803     -42.899     -10.097   5.49 0.286 0.667 0.174 0.672     297.602     260.000       8.445    6 
-    610000      122000.00      30.574     -47.456     -16.882   4.56 0.214 0.727 0.186 0.469     277.385     250.000       7.898    6 
-    620000      124000.00      26.239     -53.929     -27.690   4.32 0.357 0.615 0.192 0.971     238.056     250.000       7.694    6 
-    630000      126000.00      26.196     -51.067     -24.871   4.55 0.214 0.700 0.155 0.283     237.661     250.000       7.878    6 
-    640000      128000.00      21.711     -49.582     -27.871   5.03 0.286 0.714 0.169 0.886     196.976     250.000       8.085    6 
-    650000      130000.00      26.117     -47.719     -21.602   4.23 0.071 0.857 0.162 0.697     236.948     250.000       7.708    6 
-    660000      132000.00      37.866     -50.239     -12.373   4.25 0.143 0.750 0.176 0.894     343.541     250.000       7.727    6 
-    670000      134000.00      21.884     -46.740     -24.856   4.92 0.286 0.556 0.157 0.738     198.543     250.000       8.034    6 
-    680000      136000.00      21.799     -46.805     -25.006   4.72 0.214 0.700 0.191 0.341     197.769     250.000       8.024    6 
-    690000      138000.00      35.266     -51.243     -15.976   4.51 0.286 0.692 0.175 0.381     319.953     250.000       7.952    6 
-    700000      140000.00      25.716     -52.041     -26.325   4.88 0.214 0.727 0.161 0.201     233.308     250.000       8.139    6 
-    710000      142000.00      22.641     -37.709     -15.068   4.07 0.214 0.667 0.182 0.357     205.414     260.000       7.719    6 
-    720000      144000.00      23.144     -48.871     -25.726   3.37 0.286 0.636 0.165 0.254     209.978     260.000       7.217    6 
-    730000      146000.00      26.425     -45.106     -18.682   4.46 0.357 0.545 0.157 0.270     239.739     260.000       7.845    6 
-    740000      148000.00      26.388     -45.934     -19.546   4.28 0.286 0.600 0.168 0.454     239.408     260.000       7.555    6 
-    750000      150000.00      27.788     -43.187     -15.400   4.62 0.357 0.583 0.174 0.483     252.103     260.000       7.929    6 
-    760000      152000.00      26.955     -49.855     -22.900   4.18 0.357 0.583 0.159 0.430     244.553     260.000       7.619    6 
-    770000      154000.00      25.468     -44.621     -19.153   5.63 0.357 0.583 0.170 1.008     231.060     260.000       8.153    6 
-    780000      156000.00      27.548     -44.093     -16.546   4.18 0.429 0.455 0.157 0.492     249.926     260.000       7.668    6 
-    790000      158000.00      26.270     -36.895     -10.625   4.32 0.286 0.714 0.179 0.547     238.335     260.000       7.663    6 
-    800000      160000.00      26.263     -49.388     -23.125   3.98 0.286 0.714 0.179 0.419     238.269     260.000       7.421    6 
-    810000      162000.00      20.597     -48.140     -27.543   4.73 0.214 0.700 0.186 0.310     186.869     260.000       8.290    6 
-    820000      164000.00      22.097     -46.940     -24.843   3.70 0.357 0.583 0.201 0.169     200.473     260.000       7.497    6 
-    830000      166000.00      26.830     -38.618     -11.788   4.49 0.286 0.692 0.168 0.731     243.415     260.000       8.132    6 
-    840000      168000.00      28.565     -45.036     -16.471   3.88 0.357 0.615 0.196 0.214     259.155     260.000       7.249    6 
-    850000      170000.00      28.376     -37.619      -9.243   4.62 0.214 0.700 0.155 0.351     257.445     260.000       8.233    6 
-    860000      172000.00      27.809     -48.677     -20.867   3.77 0.214 0.700 0.209 0.803     252.302     260.000       7.396    6 
-    870000      174000.00      29.666     -40.108     -10.442   4.82 0.286 0.636 0.186 0.487     269.147     260.000       8.008    6 
-    880000      176000.00      24.524     -48.990     -24.466   4.37 0.286 0.714 0.175 0.310     222.499     260.000       7.882    6 
-    890000      178000.00      25.845     -44.308     -18.463   3.31 0.357 0.667 0.173 0.253     234.480     260.000       7.053    6 
-    900000      180000.00      27.731     -43.313     -15.582   4.78 0.214 0.700 0.168 0.611     251.589     260.000       8.091    6 
-    910000      182000.00      31.992     -46.862     -14.870   3.68 0.214 0.667 0.172 0.315     290.249     270.000       7.920    6 
-    920000      184000.00      30.041     -35.552      -5.511   3.67 0.214 0.625 0.170 0.490     272.550     270.000       7.686    6 
-    930000      186000.00      24.677     -40.942     -16.266   3.53 0.357 0.615 0.175 0.420     223.881     270.000       7.307    6 
-    940000      188000.00      24.654     -43.372     -18.719   3.61 0.214 0.727 0.219 0.273     223.673     270.000       7.365    6 
-    950000      190000.00      31.225     -34.832      -3.607   3.95 0.286 0.636 0.281 0.295     283.292     270.000       6.930    6 
-    960000      192000.00      27.750     -29.409      -1.659   5.23 0.143 0.750 0.170 0.634     251.761     270.000       8.659    6 
-    970000      194000.00      30.730     -46.160     -15.429   4.19 0.429 0.600 0.321 1.061     278.800     270.000       6.581    6 
-    980000      196000.00      26.958     -40.389     -13.431   3.95 0.429 0.571 0.305 0.236     244.577     270.000       6.788    6 
-    990000      198000.00      26.158     -32.842      -6.683   4.89 0.143 0.750 0.170 0.542     237.323     270.000       8.413    6 
-   1000000      200000.00      28.985     -37.621      -8.637   4.95 0.286 0.692 0.192 0.431     262.963     270.000       8.004    6 
+         0           0.00      33.342     115.789     149.132  12.87 0.000   NaN   NaN 4.850     302.500     280.000      15.552    6 
+     10000        2000.00      26.379     -43.653     -17.274   3.16 0.429 0.625 0.293 0.842     239.322     280.000       6.950    6 
+     20000        4000.00      29.437     -33.355      -3.919   2.97 0.286 0.667 0.223 0.507     267.063     280.000       7.127    6 
+     30000        6000.00      24.790     -31.896      -7.106   3.43 0.214 0.769 0.297 0.430     224.911     280.000       6.602    6 
+     40000        8000.00      26.914     -43.045     -16.131   2.63 0.429 0.455 0.231 0.419     244.178     280.000       6.854    6 
+     50000       10000.00      19.678     -33.599     -13.922   3.17 0.214 0.786 0.247 0.360     178.525     280.000       6.251    6 
+     60000       12000.00      31.927     -31.987      -0.060   3.17 0.214 0.667 0.313 0.700     289.657     280.000       6.368    6 
+     70000       14000.00      24.882     -33.026      -8.145   3.36 0.286 0.733 0.327 1.140     225.738     280.000       6.624    6 
+     80000       16000.00      33.369     -34.985      -1.615   2.99 0.286 0.556 0.273 0.458     302.745     280.000       7.004    6 
+     90000       18000.00      27.054     -37.888     -10.834   2.43 0.357 0.583 0.265 0.292     245.449     280.000       7.015    6 
+    100000       20000.00      26.610     -44.047     -17.437   2.38 0.357 0.706 0.334 0.628     241.421     280.000       6.495    6 
+    110000       22000.00      30.036     -41.020     -10.984   2.78 0.286 0.667 0.261 0.502     272.502     270.000       6.747    6 
+    120000       24000.00      24.341     -43.999     -19.659   2.72 0.429 0.538 0.168 0.367     220.831     270.000       7.120    6 
+    130000       26000.00      26.286     -34.547      -8.262   2.29 0.571 0.385 0.248 0.438     238.476     270.000       6.921    6 
+    140000       28000.00      30.344     -46.449     -16.105   2.76 0.357 0.583 0.235 0.467     275.296     270.000       6.950    6 
+    150000       30000.00      22.880     -43.381     -20.501   3.56 0.429 0.500 0.170 0.608     207.575     270.000       7.674    6 
+    160000       32000.00      27.745     -37.604      -9.858   3.10 0.357 0.667 0.224 0.210     251.720     270.000       6.684    6 
+    170000       34000.00      24.390     -36.538     -12.148   3.07 0.357 0.545 0.207 0.569     221.283     270.000       6.788    6 
+    180000       36000.00      22.197     -41.548     -19.351   3.06 0.286 0.636 0.244 0.237     201.383     270.000       6.581    6 
+    190000       38000.00      24.493     -36.471     -11.978   3.69 0.429 0.571 0.312 0.551     222.217     270.000       7.001    6 
+    200000       40000.00      27.381     -37.592     -10.211   2.75 0.500 0.417 0.193 0.623     248.415     270.000       6.859    6 
+    210000       42000.00      27.458     -41.210     -13.752   2.91 0.357 0.615 0.196 0.561     249.115     270.000       7.046    6 
+    220000       44000.00      29.447     -38.842      -9.395   3.38 0.429 0.600 0.203 0.810     267.159     270.000       7.497    6 
+    230000       46000.00      26.342     -40.424     -14.082   2.99 0.286 0.636 0.244 0.208     238.986     270.000       7.181    6 
+    240000       48000.00      31.095     -40.498      -9.403   2.77 0.286 0.714 0.318 0.549     282.108     270.000       6.555    6 
+    250000       50000.00      30.823     -40.700      -9.877   2.86 0.286 0.636 0.264 0.587     279.643     270.000       6.926    6 
+    260000       52000.00      26.983     -40.163     -13.179   3.08 0.286 0.667 0.189 0.388     244.808     270.000       6.857    6 
+    270000       54000.00      31.665     -37.392      -5.727   2.59 0.357 0.545 0.273 0.662     287.282     270.000       6.606    6 
+    280000       56000.00      25.011     -49.448     -24.437   2.80 0.214 0.769 0.329 0.959     226.909     270.000       6.430    6 
+    290000       58000.00      28.158     -31.518      -3.360   2.97 0.286 0.600 0.173 0.382     255.465     270.000       7.325    6 
+    300000       60000.00      20.092     -40.988     -20.896   3.27 0.429 0.571 0.211 0.236     182.286     270.000       7.532    6 
+    310000       62000.00      26.372     -40.842     -14.469   2.70 0.357 0.688 0.233 0.862     239.261     270.000       7.024    6 
+    320000       64000.00      26.613     -47.213     -20.600   2.88 0.429 0.625 0.301 0.657     241.450     270.000       6.095    6 
+    330000       66000.00      22.620     -32.470      -9.850   2.73 0.429 0.400 0.173 0.475     205.221     270.000       7.323    6 
+    340000       68000.00      30.547     -41.867     -11.320   2.87 0.357 0.545 0.182 1.091     277.134     270.000       6.930    6 
+    350000       70000.00      32.668     -35.715      -3.047   2.86 0.429 0.600 0.230 1.034     296.382     270.000       7.002    6 
+    360000       72000.00      24.575     -41.806     -17.231   2.74 0.357 0.615 0.346 0.442     222.953     270.000       6.568    6 
+    370000       74000.00      28.633     -44.426     -15.793   3.00 0.571 0.500 0.227 1.168     259.772     270.000       7.195    6 
+    380000       76000.00      29.461     -39.873     -10.411   2.91 0.357 0.583 0.242 0.881     267.286     270.000       6.919    6 
+    390000       78000.00      25.049     -39.306     -14.257   3.13 0.286 0.692 0.262 0.221     227.259     270.000       6.787    6 
+    400000       80000.00      26.000     -39.399     -13.399   3.17 0.286 0.692 0.262 0.673     235.889     270.000       6.951    6 
+    410000       82000.00      30.509     -22.872       7.637   3.17 0.357 0.583 0.246 0.415     276.793     310.000       7.057    6 
+    420000       84000.00      27.349     -16.175      11.174   4.08 0.286 0.600 0.164 0.899     248.122     310.000       8.119    6 
+    430000       86000.00      29.949     -17.234      12.714   4.02 0.357 0.286 0.344 0.181     271.709     310.000       6.760    6 
+    440000       88000.00      28.831     -29.600      -0.769   2.63 0.143 0.750 0.369 0.508     261.573     310.000       6.884    6 
+    450000       90000.00      29.811     -31.339      -1.528   2.73 0.214 0.727 0.273 0.314     270.457     310.000       6.601    6 
+    460000       92000.00      29.581     -22.389       7.192   6.52 0.000 1.000 0.295 0.913     268.374     310.000       6.930    6 
+    470000       94000.00      32.537     -14.164      18.373   3.88 0.071 0.750 0.170 0.533     295.195     310.000       7.951    6 
+    480000       96000.00      30.265     -18.451      11.815   7.19 0.071 0.875 0.188 0.513     274.583     310.000       8.245    6 
+    490000       98000.00      33.373     -18.667      14.705   2.54 0.143 0.750 0.284 0.220     302.774     310.000       7.510    6 
+    500000      100000.00      44.681      -7.209      37.471   4.65 0.071 0.917 0.352 0.692     405.368     310.000       6.985    6 
+    510000      102000.00      31.445     -18.841      12.604   4.75 0.214 0.667 0.192 0.350     285.289     310.000       7.735    6 
+    520000      104000.00      24.065      -1.116      22.949   4.05 0.214 0.625 0.210 0.727     218.326     310.000       8.196    6 
+    530000      106000.00      32.922      -6.004      26.918   4.20 0.143 0.800 0.282 0.466     298.687     310.000       6.510    6 
+    540000      108000.00      34.096      -7.262      26.834   7.13 0.071 0.750 0.216 0.569     309.338     310.000      10.708    6 
+    550000      110000.00      38.844     -19.212      19.632   3.97 0.286 0.733 0.388 0.499     352.415     310.000       6.884    6 
+    560000      112000.00      37.569     -16.910      20.658   6.23 0.071 0.833 0.167 0.787     340.841     310.000       7.959    6 
+    570000      114000.00      43.598     -16.296      27.302   4.29 0.214 0.667 0.207 1.020     395.548     310.000       7.501    6 
+    580000      116000.00      32.643     -16.930      15.713   4.39 0.214 0.727 0.281 0.488     296.153     310.000       6.923    6 
+    590000      118000.00      35.791     -20.757      15.034   3.08 0.214 0.727 0.368 0.501     324.717     310.000       7.464    6 
+    600000      120000.00      36.313     -16.496      19.817   5.59 0.286 0.500 0.176 0.518     329.449     310.000       8.832    6 
+    610000      122000.00      45.011     -21.207      23.804   6.59 0.143 0.714 0.338 0.742     408.363     330.000       7.512    6 
+    620000      124000.00      35.736     -15.357      20.379   4.31 0.214 0.727 0.326 0.321     324.218     330.000       7.252    6 
+    630000      126000.00      35.927       0.112      36.039   5.79 0.143 0.714 0.195 0.373     325.953     330.000       8.061    6 
+    640000      128000.00      25.592      -9.487      16.105   3.35 0.143 0.800 0.364 0.243     232.181     330.000       6.901    6 
+    650000      130000.00      35.662     -14.872      20.789   4.19 0.286 0.765 0.428 0.710     323.540     330.000       6.258    6 
+    660000      132000.00      51.699     -18.122      33.578   3.04 0.286 0.733 0.288 1.074     469.044     330.000       7.196    6 
+    670000      134000.00      32.565       2.165      34.730   4.26 0.143 0.714 0.234 0.396     295.449     330.000       8.093    6 
+    680000      136000.00      27.882       2.924      30.806   7.03 0.071 0.889 0.288 0.619     252.964     330.000       7.339    6 
+    690000      138000.00      46.428      -7.805      38.623   2.86 0.214 0.571 0.175 0.741     421.217     330.000       7.511    6 
+    700000      140000.00      30.679     -12.158      18.522   3.35 0.143 0.667 0.371 0.675     278.340     330.000       7.621    6 
+    710000      142000.00      29.997     -14.458      15.539   4.50 0.357 0.643 0.308 0.129     272.151     330.000       6.677    6 
+    720000      144000.00      28.046      -7.549      20.497   4.93 0.143 0.818 0.298 0.590     254.449     330.000       7.629    6 
+    730000      146000.00      36.786      -5.687      31.099   4.17 0.143 0.750 0.233 1.157     333.739     330.000       7.340    6 
+    740000      148000.00      30.113      -0.845      29.268   6.93 0.071 0.750 0.284 0.933     273.205     330.000       8.449    6 
+    750000      150000.00      34.170      -1.899      32.272   4.94 0.214 0.769 0.297 0.609     310.011     330.000       6.710    6 
+    760000      152000.00      34.630      -4.603      30.027   4.18 0.071 0.889 0.343 0.431     314.179     330.000       6.730    6 
+    770000      154000.00      36.143      -3.778      32.364   4.38 0.143 0.667 0.174 0.369     327.907     330.000       7.539    6 
+    780000      156000.00      33.260      -1.497      31.763   4.88 0.000 1.000 0.368 0.899     301.748     330.000       6.819    6 
+    790000      158000.00      33.528     -15.293      18.234   4.54 0.214 0.667 0.288 0.563     304.180     330.000       7.047    6 
+    800000      160000.00      36.890       2.860      39.750   4.71 0.143 0.600 0.173 1.128     334.689     330.000       8.195    6 
+    810000      162000.00      24.416     -11.028      13.388   4.45 0.071 0.909 0.483 0.397     221.515     330.000       6.793    6 
+    820000      164000.00      34.305     -14.252      20.053   5.67 0.143 0.818 0.388 0.557     311.234     330.000       6.915    6 
+    830000      166000.00      36.427      -3.730      32.697   6.11 0.143 0.750 0.398 1.373     330.484     330.000       7.703    6 
+    840000      168000.00      36.231     -11.520      24.710   4.77 0.143 0.778 0.354 0.304     328.706     330.000       7.056    6 
+    850000      170000.00      34.845      -5.508      29.337   7.01 0.143 0.778 0.323 0.362     316.131     330.000       6.818    6 
+    860000      172000.00      35.288      -4.926      30.361   6.24 0.143 0.714 0.175 1.355     320.150     330.000       9.120    6 
+    870000      174000.00      33.106      -8.792      24.314   5.12 0.143 0.750 0.222 0.522     300.354     330.000       7.482    6 
+    880000      176000.00      32.624     -18.531      14.094   4.74 0.143 0.818 0.202 0.357     295.986     330.000       7.549    6 
+    890000      178000.00      31.651     -10.721      20.929   4.31 0.071 0.833 0.197 0.368     287.152     330.000       7.878    6 
+    900000      180000.00      33.814      -5.183      28.632   4.67 0.143 0.857 0.455 0.875     306.781     330.000       6.766    6 
+    910000      182000.00      38.797     -19.617      19.179   4.71 0.214 0.700 0.382 0.353     351.982     330.000       6.913    6 
+    920000      184000.00      32.584      -7.913      24.670   3.81 0.071 0.875 0.193 0.454     295.615     330.000       7.944    6 
+    930000      186000.00      28.933     -10.924      18.009   5.37 0.286 0.636 0.190 0.243     262.494     330.000       8.113    6 
+    940000      188000.00      32.226      -8.941      23.285   4.06 0.214 0.625 0.352 0.489     292.368     330.000       7.545    6 
+    950000      190000.00      40.824      -7.217      33.606   4.81 0.071 0.857 0.383 0.428     370.373     330.000       7.313    6 
+    960000      192000.00      34.122      -2.864      31.257   4.40 0.071 0.909 0.413 0.341     309.569     330.000       6.822    6 
+    970000      194000.00      37.370      -8.598      28.772   4.98 0.143 0.800 0.191 1.101     339.039     330.000       7.821    6 
+    980000      196000.00      30.566       6.279      36.845   9.56 0.071 0.500 0.159 0.829     277.309     330.000      12.624    6 
+    990000      198000.00      36.726      -3.973      32.753   5.99 0.000 1.000 0.292 0.592     333.195     330.000       8.012    6 
+   1000000      200000.00      31.006      -5.331      25.675   3.40 0.286 0.500 0.199 0.900     281.300     330.000       7.266    6 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB007.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB007.stat
index 769cb64..a5883db 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB007.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB007.stat
@@ -1,101 +1,101 @@
-         0           0.00      32.338     116.457     148.795  12.87 0.000   NaN   NaN 4.851     293.386     260.000      15.552    7 
-     10000        2000.00      30.937     -36.273      -5.336   4.03 0.214 0.750 0.261 0.295     280.680     260.000       7.165    7 
-     20000        4000.00      27.057     -44.781     -17.724   4.25 0.357 0.688 0.310 0.617     245.474     260.000       6.385    7 
-     30000        6000.00      20.060     -49.601     -29.541   3.70 0.357 0.643 0.321 0.760     181.995     260.000       6.229    7 
-     40000        8000.00      26.996     -42.726     -15.730   3.13 0.214 0.769 0.255 0.365     244.926     260.000       6.566    7 
-     50000       10000.00      21.846     -45.208     -23.362   2.84 0.214 0.750 0.311 0.351     198.200     260.000       6.645    7 
-     60000       12000.00      28.538     -47.938     -19.400   3.81 0.357 0.643 0.286 0.298     258.911     260.000       6.517    7 
-     70000       14000.00      21.197     -45.221     -24.024   3.91 0.357 0.706 0.321 0.554     192.312     260.000       6.437    7 
-     80000       16000.00      31.174     -44.241     -13.067   2.49 0.429 0.625 0.236 0.894     282.829     260.000       6.696    7 
-     90000       18000.00      23.434     -38.562     -15.128   2.98 0.500 0.462 0.315 0.900     212.605     260.000       6.586    7 
-    100000       20000.00      25.232     -47.556     -22.323   2.84 0.286 0.733 0.324 0.169     228.921     260.000       6.241    7 
-    110000       22000.00      24.307     -50.406     -26.099   2.79 0.429 0.600 0.288 0.100     220.527     260.000       6.747    7 
-    120000       24000.00      26.675     -48.162     -21.487   3.02 0.357 0.583 0.189 0.554     242.008     260.000       7.171    7 
-    130000       26000.00      28.063     -43.702     -15.639   3.12 0.357 0.375 0.165 0.439     254.601     260.000       7.362    7 
-    140000       28000.00      30.586     -52.561     -21.974   2.55 0.429 0.600 0.236 1.131     277.495     260.000       6.731    7 
-    150000       30000.00      22.008     -43.315     -21.306   2.58 0.214 0.786 0.289 0.202     199.672     260.000       6.507    7 
-    160000       32000.00      21.604     -48.111     -26.507   2.30 0.286 0.667 0.235 0.425     196.001     260.000       6.650    7 
-    170000       34000.00      20.555     -47.407     -26.852   2.98 0.429 0.600 0.200 0.264     186.484     260.000       7.301    7 
-    180000       36000.00      30.745     -50.310     -19.565   2.67 0.429 0.667 0.295 1.176     278.938     260.000       6.411    7 
-    190000       38000.00      22.937     -48.287     -25.351   2.92 0.500 0.588 0.316 0.287     208.094     260.000       6.567    7 
-    200000       40000.00      24.550     -46.324     -21.774   2.91 0.500 0.533 0.300 0.268     222.729     260.000       6.961    7 
-    210000       42000.00      29.085     -44.010     -14.925   3.02 0.357 0.643 0.279 0.583     263.878     260.000       6.804    7 
-    220000       44000.00      22.277     -41.616     -19.339   5.15 0.357 0.583 0.163 0.156     202.107     260.000       8.591    7 
-    230000       46000.00      26.312     -45.610     -19.297   3.01 0.357 0.667 0.288 0.323     238.720     260.000       6.694    7 
-    240000       48000.00      27.503     -42.861     -15.358   2.73 0.500 0.533 0.333 0.536     249.521     260.000       6.686    7 
-    250000       50000.00      34.589     -43.787      -9.198   2.66 0.357 0.500 0.205 0.772     313.813     260.000       7.078    7 
-    260000       52000.00      30.799     -45.380     -14.581   2.95 0.286 0.750 0.290 0.589     279.424     260.000       6.510    7 
-    270000       54000.00      30.775     -53.751     -22.976   2.50 0.286 0.733 0.255 0.349     279.203     260.000       6.788    7 
-    280000       56000.00      25.273     -53.795     -28.522   2.76 0.429 0.667 0.326 0.167     229.293     260.000       6.295    7 
-    290000       58000.00      36.624     -40.169      -3.544   3.96 0.357 0.545 0.178 0.859     332.276     260.000       7.609    7 
-    300000       60000.00      26.081     -41.204     -15.123   2.88 0.357 0.615 0.259 0.405     236.623     260.000       7.096    7 
-    310000       62000.00      28.609     -39.901     -11.293   2.66 0.571 0.429 0.256 1.046     259.553     280.000       6.906    7 
-    320000       64000.00      26.282     -35.903      -9.621   3.29 0.286 0.636 0.215 0.391     238.448     280.000       7.527    7 
-    330000       66000.00      33.382     -41.634      -8.252   2.56 0.286 0.733 0.324 0.532     302.860     280.000       6.674    7 
-    340000       68000.00      30.740     -33.533      -2.794   3.13 0.286 0.429 0.273 0.578     278.885     280.000       7.177    7 
-    350000       70000.00      25.650     -38.238     -12.588   2.76 0.286 0.750 0.338 0.458     232.711     280.000       6.433    7 
-    360000       72000.00      35.568     -37.440      -1.872   3.09 0.286 0.733 0.318 0.307     322.692     280.000       6.467    7 
-    370000       74000.00      37.078     -44.435      -7.358   2.72 0.286 0.636 0.236 0.574     336.389     280.000       6.714    7 
-    380000       76000.00      49.196     -42.758       6.438   3.27 0.286 0.765 0.358 0.378     446.334     280.000       6.265    7 
-    390000       78000.00      15.426     -37.683     -22.258   2.64 0.214 0.769 0.343 0.605     139.950     280.000       6.740    7 
-    400000       80000.00      26.558     -37.484     -10.927   2.49 0.286 0.636 0.355 0.746     240.945     280.000       6.649    7 
-    410000       82000.00      24.203     -39.381     -15.179   3.94 0.214 0.727 0.269 0.375     219.579     280.000       6.542    7 
-    420000       84000.00      25.709     -39.824     -14.115   2.87 0.214 0.667 0.172 0.285     233.249     280.000       7.079    7 
-    430000       86000.00      23.535     -43.771     -20.236   2.51 0.286 0.667 0.216 0.387     213.520     280.000       7.162    7 
-    440000       88000.00      28.436     -39.829     -11.394   3.11 0.429 0.500 0.258 0.534     257.982     280.000       7.131    7 
-    450000       90000.00      28.685     -44.916     -16.232   2.69 0.286 0.765 0.337 0.199     260.241     280.000       6.327    7 
-    460000       92000.00      26.197     -39.365     -13.168   2.84 0.214 0.812 0.386 0.339     237.673     280.000       6.344    7 
-    470000       94000.00      24.561     -42.843     -18.283   2.73 0.286 0.733 0.382 1.013     222.826     280.000       6.508    7 
-    480000       96000.00      27.509     -34.347      -6.838   2.62 0.357 0.615 0.262 0.406     249.573     280.000       7.103    7 
-    490000       98000.00      28.231     -36.992      -8.762   2.91 0.429 0.625 0.295 0.316     256.122     280.000       6.328    7 
-    500000      100000.00      30.350     -41.967     -11.617   2.42 0.429 0.538 0.262 0.818     275.353     280.000       7.026    7 
-    510000      102000.00      32.818     -42.226      -9.408   3.00 0.214 0.786 0.240 0.256     297.742     280.000       6.919    7 
-    520000      104000.00      32.075     -32.546      -0.470   3.50 0.286 0.733 0.358 0.954     291.005     280.000       6.446    7 
-    530000      106000.00      30.069     -26.968       3.101   3.73 0.429 0.455 0.174 0.607     272.803     280.000       7.746    7 
-    540000      108000.00      25.792     -26.393      -0.602   2.78 0.286 0.636 0.231 0.352     233.994     280.000       7.073    7 
-    550000      110000.00      23.484     -33.742     -10.258   3.29 0.357 0.545 0.256 0.609     213.059     280.000       7.075    7 
-    560000      112000.00      23.753     -31.845      -8.092   2.97 0.214 0.750 0.212 0.425     215.495     280.000       6.799    7 
-    570000      114000.00      31.873     -32.446      -0.572   5.24 0.143 0.800 0.236 0.655     289.172     280.000       7.515    7 
-    580000      116000.00      30.975     -39.722      -8.747   5.52 0.143 0.857 0.305 0.459     281.017     280.000       6.523    7 
-    590000      118000.00      32.237     -32.791      -0.554   5.40 0.143 0.846 0.287 0.417     292.466     280.000       6.770    7 
-    600000      120000.00      40.334     -35.952       4.382   6.03 0.143 0.833 0.258 0.283     365.930     280.000       6.814    7 
-    610000      122000.00      30.516     -35.188      -4.672   5.90 0.214 0.786 0.276 0.269     276.858     280.000       7.335    7 
-    620000      124000.00      24.083     -31.870      -7.787   5.38 0.143 0.800 0.305 0.520     218.492     280.000       6.413    7 
-    630000      126000.00      26.598     -26.472       0.126   6.00 0.143 0.800 0.309 0.548     241.313     280.000       6.751    7 
-    640000      128000.00      27.740     -30.716      -2.976   5.88 0.143 0.800 0.277 0.667     251.668     280.000       7.105    7 
-    650000      130000.00      39.288     -34.482       4.806   5.65 0.214 0.786 0.315 0.806     356.442     280.000       6.879    7 
-    660000      132000.00      32.392     -30.037       2.355   6.01 0.143 0.833 0.288 0.946     293.874     280.000       7.222    7 
-    670000      134000.00      27.311     -29.730      -2.419   5.33 0.143 0.867 0.258 0.760     247.780     280.000       6.614    7 
-    680000      136000.00      34.153     -36.248      -2.095   3.06 0.286 0.733 0.261 0.217     309.850     280.000       6.919    7 
-    690000      138000.00      32.246     -38.237      -5.991   3.02 0.286 0.714 0.302 0.512     292.555     280.000       6.663    7 
-    700000      140000.00      25.943     -35.385      -9.442   2.84 0.214 0.500 0.258 0.764     235.369     280.000       6.709    7 
-    710000      142000.00      33.642     -44.764     -11.122   2.97 0.429 0.625 0.381 0.465     305.216     270.000       6.442    7 
-    720000      144000.00      23.726     -38.183     -14.457   3.54 0.214 0.786 0.299 0.596     215.256     270.000       6.401    7 
-    730000      146000.00      29.498     -28.654       0.844   3.15 0.357 0.615 0.189 0.625     267.625     270.000       7.466    7 
-    740000      148000.00      27.761     -41.750     -13.988   2.44 0.286 0.636 0.281 0.711     251.865     270.000       6.492    7 
-    750000      150000.00      24.606     -50.020     -25.414   2.96 0.357 0.722 0.361 0.184     223.239     270.000       6.147    7 
-    760000      152000.00      28.692     -35.491      -6.799   4.14 0.286 0.692 0.206 0.287     260.307     270.000       7.604    7 
-    770000      154000.00      25.055     -40.495     -15.440   3.18 0.286 0.714 0.256 0.371     227.313     270.000       6.457    7 
-    780000      156000.00      29.626     -46.608     -16.982   2.58 0.214 0.800 0.321 0.277     268.781     270.000       6.478    7 
-    790000      158000.00      24.751     -45.093     -20.341   2.98 0.357 0.667 0.355 0.399     224.558     270.000       6.525    7 
-    800000      160000.00      26.525     -45.043     -18.518   3.31 0.286 0.789 0.376 0.228     240.646     270.000       6.255    7 
-    810000      162000.00      24.568     -39.497     -14.929   3.01 0.357 0.583 0.322 0.271     222.897     270.000       6.893    7 
-    820000      164000.00      29.248     -38.890      -9.642   2.70 0.214 0.769 0.322 0.584     265.357     270.000       6.554    7 
-    830000      166000.00      24.462     -35.708     -11.246   2.82 0.500 0.562 0.295 0.284     221.930     270.000       6.993    7 
-    840000      168000.00      29.120     -46.286     -17.167   2.77 0.286 0.714 0.331 0.866     264.191     270.000       6.873    7 
-    850000      170000.00      28.380     -47.576     -19.196   2.87 0.214 0.769 0.364 0.778     257.478     270.000       6.496    7 
-    860000      172000.00      28.155     -51.948     -23.793   2.79 0.357 0.706 0.372 0.578     255.434     270.000       6.514    7 
-    870000      174000.00      32.304     -36.640      -4.336   2.90 0.357 0.667 0.342 0.678     293.075     270.000       6.505    7 
-    880000      176000.00      32.419     -43.317     -10.899   3.72 0.214 0.727 0.277 0.444     294.120     270.000       6.275    7 
-    890000      178000.00      21.887     -39.717     -17.830   3.29 0.286 0.750 0.259 0.444     198.566     270.000       6.595    7 
-    900000      180000.00      33.210     -41.773      -8.563   2.84 0.286 0.636 0.314 0.395     301.295     270.000       6.814    7 
-    910000      182000.00      32.620     -44.889     -12.269   2.96 0.357 0.688 0.307 0.510     295.941     260.000       6.631    7 
-    920000      184000.00      25.409     -44.369     -18.960   3.06 0.286 0.692 0.290 0.358     230.526     260.000       7.129    7 
-    930000      186000.00      22.383     -43.680     -21.297   3.10 0.286 0.636 0.219 0.417     203.073     260.000       6.920    7 
-    940000      188000.00      23.075     -46.657     -23.582   3.05 0.357 0.583 0.189 0.867     209.348     260.000       6.918    7 
-    950000      190000.00      23.477     -52.112     -28.636   2.95 0.286 0.810 0.394 0.635     212.992     260.000       6.084    7 
-    960000      192000.00      30.337     -49.901     -19.564   2.89 0.286 0.733 0.273 0.938     275.236     260.000       6.607    7 
-    970000      194000.00      20.684     -53.561     -32.877   2.80 0.357 0.706 0.324 0.166     187.652     260.000       6.189    7 
-    980000      196000.00      28.401     -55.918     -27.517   3.54 0.286 0.765 0.372 0.538     257.668     260.000       6.385    7 
-    990000      198000.00      24.035     -45.954     -21.919   3.09 0.357 0.643 0.253 0.319     218.056     260.000       6.517    7 
-   1000000      200000.00      22.867     -44.521     -21.654   2.64 0.429 0.538 0.189 0.699     207.462     260.000       7.033    7 
+         0           0.00      34.825     115.789     150.615  12.87 0.000   NaN   NaN 4.850     315.955     280.000      15.552    7 
+     10000        2000.00      33.681     -36.860      -3.180   2.77 0.357 0.583 0.246 0.195     305.568     280.000       6.770    7 
+     20000        4000.00      27.802     -33.978      -6.176   2.87 0.357 0.583 0.170 0.345     252.235     280.000       6.974    7 
+     30000        6000.00      22.711     -16.777       5.934   5.50 0.214 0.786 0.344 0.948     206.049     280.000       7.372    7 
+     40000        8000.00      30.385     -38.640      -8.255   3.37 0.429 0.400 0.186 0.198     275.667     280.000       7.523    7 
+     50000       10000.00      23.615     -37.133     -13.518   3.14 0.429 0.455 0.161 0.382     214.245     280.000       7.277    7 
+     60000       12000.00      30.986     -34.771      -3.786   2.41 0.214 0.769 0.315 0.779     281.118     280.000       6.588    7 
+     70000       14000.00      23.068     -30.941      -7.873   4.95 0.143 0.818 0.178 0.532     209.285     280.000       8.091    7 
+     80000       16000.00      34.221     -33.085       1.136   2.80 0.357 0.615 0.262 0.757     310.472     280.000       6.712    7 
+     90000       18000.00      27.578     -40.723     -13.144   3.28 0.357 0.643 0.208 0.494     250.206     280.000       7.246    7 
+    100000       20000.00      30.686     -44.398     -13.712   2.82 0.286 0.765 0.361 0.479     278.398     280.000       6.522    7 
+    110000       22000.00      27.281     -32.964      -5.683   2.88 0.357 0.500 0.227 0.744     247.509     280.000       7.093    7 
+    120000       24000.00      24.857     -31.461      -6.604   3.16 0.286 0.667 0.216 0.802     225.514     280.000       6.926    7 
+    130000       26000.00      29.289     -34.533      -5.244   2.78 0.357 0.583 0.379 0.239     265.725     280.000       7.138    7 
+    140000       28000.00      31.133     -38.556      -7.423   2.86 0.357 0.545 0.174 1.081     282.455     280.000       7.523    7 
+    150000       30000.00      24.762     -37.765     -13.002   3.84 0.286 0.667 0.220 0.447     224.656     280.000       7.092    7 
+    160000       32000.00      22.256     -30.798      -8.542   3.22 0.286 0.556 0.268 0.557     201.916     280.000       7.037    7 
+    170000       34000.00      20.437     -33.574     -13.137   2.85 0.357 0.615 0.273 0.525     185.414     280.000       6.407    7 
+    180000       36000.00      29.063     -32.493      -3.430   2.76 0.214 0.700 0.232 0.643     263.678     280.000       7.360    7 
+    190000       38000.00      25.167     -38.275     -13.108   2.77 0.286 0.692 0.192 0.167     228.331     280.000       7.137    7 
+    200000       40000.00      24.929     -28.092      -3.163   3.24 0.214 0.625 0.216 0.660     226.167     280.000       7.254    7 
+    210000       42000.00      31.812     -20.549      11.263   2.87 0.286 0.556 0.308 0.832     288.613     300.000       7.349    7 
+    220000       44000.00      23.096     -26.142      -3.047   3.33 0.214 0.571 0.188 0.461     209.535     300.000       7.216    7 
+    230000       46000.00      36.019     -23.189      12.830   5.21 0.214 0.667 0.202 0.631     326.787     300.000       8.159    7 
+    240000       48000.00      26.470     -10.858      15.611   3.56 0.143 0.800 0.423 0.746     240.146     300.000       6.878    7 
+    250000       50000.00      35.297     -17.921      17.375   3.67 0.214 0.625 0.205 0.771     320.228     300.000       7.841    7 
+    260000       52000.00      33.539     -21.398      12.141   3.32 0.143 0.846 0.297 0.408     304.282     300.000       6.850    7 
+    270000       54000.00      35.086     -28.322       6.764   5.57 0.143 0.833 0.261 0.759     318.322     300.000       7.113    7 
+    280000       56000.00      31.766     -20.998      10.768   2.91 0.286 0.667 0.223 0.438     288.195     300.000       7.079    7 
+    290000       58000.00      40.977     -27.987      12.990   3.34 0.286 0.667 0.231 1.640     371.761     300.000       6.870    7 
+    300000       60000.00      32.351     -31.850       0.501   2.95 0.214 0.727 0.368 0.300     293.506     300.000       6.768    7 
+    310000       62000.00      33.002      -8.902      24.100   4.15 0.357 0.545 0.236 0.361     299.411     310.000       7.291    7 
+    320000       64000.00      29.823     -21.746       8.077   3.68 0.357 0.583 0.250 0.246     270.571     310.000       6.557    7 
+    330000       66000.00      33.083     -20.548      12.535   5.73 0.214 0.727 0.186 0.750     300.146     310.000       8.666    7 
+    340000       68000.00      33.129      -5.216      27.912   4.96 0.071 0.917 0.265 0.707     300.560     310.000       7.132    7 
+    350000       70000.00      27.623     -20.011       7.612   3.30 0.286 0.556 0.177 0.352     250.609     310.000       7.716    7 
+    360000       72000.00      38.930     -12.158      26.773   5.28 0.214 0.571 0.221 0.403     353.197     310.000       8.039    7 
+    370000       74000.00      36.390     -18.666      17.725   4.36 0.286 0.636 0.269 0.751     330.152     310.000       7.628    7 
+    380000       76000.00      51.150      -4.435      46.715   4.40 0.143 0.600 0.336 0.514     464.059     310.000       7.741    7 
+    390000       78000.00      19.572     -10.355       9.217   5.39 0.214 0.571 0.279 0.455     177.565     310.000       7.462    7 
+    400000       80000.00      29.585     -13.913      15.672   3.41 0.286 0.667 0.311 0.921     268.410     310.000       7.255    7 
+    410000       82000.00      24.867     -14.886       9.981   4.25 0.286 0.600 0.191 0.570     225.603     300.000       7.423    7 
+    420000       84000.00      25.790     -19.006       6.785   5.11 0.286 0.667 0.170 0.879     233.984     300.000       8.152    7 
+    430000       86000.00      28.433     -28.569      -0.136   3.20 0.286 0.765 0.366 0.567     257.958     300.000       6.411    7 
+    440000       88000.00      32.632     -29.527       3.104   3.20 0.286 0.714 0.179 0.483     296.052     300.000       7.069    7 
+    450000       90000.00      30.868     -19.663      11.204   3.48 0.357 0.583 0.235 0.384     280.046     300.000       7.070    7 
+    460000       92000.00      28.511     -24.268       4.243   4.61 0.143 0.818 0.182 0.237     258.666     300.000       7.543    7 
+    470000       94000.00      27.819     -26.051       1.768   2.42 0.429 0.625 0.216 0.802     252.391     300.000       7.125    7 
+    480000       96000.00      30.295     -23.677       6.617   6.03 0.214 0.700 0.191 0.198     274.848     300.000       8.478    7 
+    490000       98000.00      32.748     -27.455       5.294   6.70 0.143 0.778 0.197 0.728     297.110     300.000       8.684    7 
+    500000      100000.00      31.725     -25.823       5.902   5.95 0.286 0.600 0.173 0.354     287.825     300.000       8.172    7 
+    510000      102000.00      37.372     -28.727       8.646   4.06 0.214 0.800 0.288 0.382     339.062     300.000       6.614    7 
+    520000      104000.00      32.915     -28.246       4.669   3.85 0.143 0.778 0.217 0.760     298.620     300.000       7.842    7 
+    530000      106000.00      31.350     -19.619      11.731   3.91 0.143 0.667 0.174 1.194     284.427     300.000       7.265    7 
+    540000      108000.00      28.073     -19.403       8.670   6.39 0.214 0.625 0.222 0.346     254.694     300.000       8.606    7 
+    550000      110000.00      28.309     -22.080       6.230   3.32 0.214 0.727 0.248 0.201     256.837     300.000       6.888    7 
+    560000      112000.00      26.792     -26.042       0.749   6.02 0.357 0.643 0.182 0.370     243.068     300.000       8.508    7 
+    570000      114000.00      33.484     -21.202      12.281   2.54 0.286 0.429 0.266 0.279     303.780     300.000       7.293    7 
+    580000      116000.00      32.885     -21.602      11.283   3.34 0.143 0.778 0.268 0.324     298.346     300.000       7.098    7 
+    590000      118000.00      32.133     -19.771      12.362   4.05 0.143 0.818 0.260 0.710     291.525     300.000       6.988    7 
+    600000      120000.00      42.627     -26.429      16.197   2.87 0.286 0.636 0.236 0.497     386.732     300.000       7.114    7 
+    610000      122000.00      26.694     -41.132     -14.438   3.11 0.286 0.714 0.253 0.707     242.183     280.000       6.312    7 
+    620000      124000.00      27.356     -38.423     -11.067   2.79 0.500 0.650 0.423 0.235     248.192     280.000       6.541    7 
+    630000      126000.00      24.521     -32.255      -7.734   2.75 0.286 0.692 0.360 0.432     222.471     280.000       6.550    7 
+    640000      128000.00      27.963     -28.830      -0.867   2.91 0.286 0.750 0.278 1.056     253.693     280.000       6.483    7 
+    650000      130000.00      37.545     -35.199       2.346   3.11 0.286 0.789 0.299 0.678     340.627     280.000       6.291    7 
+    660000      132000.00      29.849     -31.458      -1.609   2.85 0.357 0.500 0.168 0.659     270.803     280.000       7.181    7 
+    670000      134000.00      27.569     -37.706     -10.136   3.02 0.429 0.625 0.315 0.599     250.124     280.000       6.602    7 
+    680000      136000.00      28.506     -38.822     -10.316   3.38 0.500 0.562 0.173 0.649     258.619     280.000       6.913    7 
+    690000      138000.00      30.691     -41.444     -10.753   2.84 0.214 0.786 0.299 0.418     278.443     280.000       7.106    7 
+    700000      140000.00      29.112     -42.015     -12.903   3.29 0.214 0.750 0.216 0.598     264.121     280.000       6.588    7 
+    710000      142000.00      32.244     -47.822     -15.579   2.83 0.286 0.765 0.393 0.674     292.533     270.000       6.611    7 
+    720000      144000.00      25.304     -46.310     -21.006   2.96 0.286 0.636 0.223 0.286     229.571     270.000       6.858    7 
+    730000      146000.00      28.419     -37.327      -8.907   3.21 0.286 0.600 0.168 0.367     257.834     270.000       7.319    7 
+    740000      148000.00      32.662     -40.026      -7.364   3.03 0.143 0.778 0.227 0.468     296.331     270.000       7.322    7 
+    750000      150000.00      26.195     -36.395     -10.201   3.72 0.214 0.727 0.322 0.320     237.651     270.000       7.453    7 
+    760000      152000.00      26.252     -42.514     -16.262   2.86 0.214 0.750 0.220 0.267     238.170     270.000       6.907    7 
+    770000      154000.00      24.616     -42.614     -17.998   2.83 0.286 0.733 0.321 0.248     223.330     270.000       6.787    7 
+    780000      156000.00      28.659     -43.049     -14.390   2.75 0.429 0.571 0.292 0.694     260.009     270.000       6.548    7 
+    790000      158000.00      22.826     -43.463     -20.637   3.41 0.357 0.615 0.343 0.930     207.087     270.000       6.486    7 
+    800000      160000.00      28.357     -44.575     -16.218   6.28 0.214 0.700 0.255 0.461     257.266     270.000       7.171    7 
+    810000      162000.00      23.705     -42.954     -19.249   5.82 0.214 0.800 0.233 0.651     215.063     280.000       6.758    7 
+    820000      164000.00      31.345     -41.579     -10.234   2.51 0.429 0.600 0.315 0.583     284.381     280.000       6.746    7 
+    830000      166000.00      27.089     -32.955      -5.866   4.63 0.143 0.714 0.182 0.393     245.768     280.000       8.221    7 
+    840000      168000.00      31.411     -39.184      -7.772   3.18 0.357 0.643 0.250 0.460     284.981     280.000       6.770    7 
+    850000      170000.00      30.803     -32.484      -1.681   4.25 0.286 0.636 0.190 0.281     279.464     280.000       7.328    7 
+    860000      172000.00      26.705     -26.887      -0.183   2.97 0.357 0.583 0.170 0.462     242.279     280.000       7.075    7 
+    870000      174000.00      34.084     -36.960      -2.876   2.74 0.143 0.800 0.414 0.449     309.228     280.000       6.626    7 
+    880000      176000.00      33.428     -43.684     -10.255   3.19 0.214 0.800 0.303 0.295     303.279     280.000       6.375    7 
+    890000      178000.00      24.390     -37.129     -12.739   2.92 0.357 0.583 0.220 0.345     221.279     280.000       6.954    7 
+    900000      180000.00      37.799     -30.566       7.233   3.68 0.286 0.600 0.182 0.263     342.932     280.000       8.209    7 
+    910000      182000.00      33.164     -26.141       7.023   2.48 0.357 0.615 0.276 0.614     300.884     270.000       6.796    7 
+    920000      184000.00      26.898     -43.079     -16.181   3.13 0.286 0.500 0.199 0.185     244.033     270.000       7.149    7 
+    930000      186000.00      21.145     -49.972     -28.827   2.64 0.357 0.667 0.273 0.573     191.842     270.000       6.913    7 
+    940000      188000.00      22.886     -33.944     -11.059   2.85 0.286 0.636 0.277 0.694     207.631     270.000       6.610    7 
+    950000      190000.00      27.368     -34.725      -7.357   2.62 0.357 0.643 0.299 0.657     248.295     270.000       7.070    7 
+    960000      192000.00      30.885     -39.353      -8.468   3.31 0.286 0.714 0.299 0.801     280.205     270.000       6.513    7 
+    970000      194000.00      20.081     -33.709     -13.628   2.78 0.357 0.583 0.208 0.126     182.187     270.000       7.141    7 
+    980000      196000.00      27.173     -34.460      -7.287   2.97 0.357 0.500 0.250 0.871     246.528     270.000       7.081    7 
+    990000      198000.00      23.635     -39.610     -15.975   2.55 0.357 0.545 0.219 0.322     214.431     270.000       6.967    7 
+   1000000      200000.00      29.880     -49.102     -19.222   2.42 0.429 0.538 0.189 0.193     271.086     270.000       6.713    7 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB008.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB008.stat
index c396e2b..231b981 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB008.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB008.stat
@@ -1,101 +1,101 @@
-         0           0.00      31.665     116.133     147.798  12.87 0.000   NaN   NaN 4.851     287.279     270.000      15.552    8 
-     10000        2000.00      27.837     -38.793     -10.956   4.55 0.286 0.636 0.252 0.557     252.548     270.000       6.930    8 
-     20000        4000.00      24.015     -39.184     -15.169   5.38 0.143 0.818 0.215 0.583     217.875     270.000       7.281    8 
-     30000        6000.00      23.637     -34.140     -10.504   4.48 0.286 0.750 0.304 0.905     214.443     270.000       6.273    8 
-     40000        8000.00      29.527     -31.857      -2.330   6.76 0.143 0.818 0.194 0.621     267.887     270.000       8.202    8 
-     50000       10000.00      27.237     -35.611      -8.374   4.44 0.214 0.812 0.358 0.474     247.110     270.000       6.610    8 
-     60000       12000.00      26.257     -38.880     -12.623   6.69 0.071 0.909 0.273 0.418     238.216     270.000       7.970    8 
-     70000       14000.00      24.049     -32.285      -8.236   4.52 0.143 0.833 0.277 0.457     218.184     270.000       6.499    8 
-     80000       16000.00      29.438     -46.067     -16.629   5.70 0.071 0.900 0.286 0.775     267.075     270.000       7.265    8 
-     90000       18000.00      30.288     -30.504      -0.216   6.56 0.000 1.000 0.242 0.216     274.790     270.000       7.846    8 
-    100000       20000.00      29.519     -36.901      -7.382   6.56 0.143 0.750 0.227 0.851     267.813     270.000       7.341    8 
-    110000       22000.00      26.144     -36.883     -10.739   6.27 0.071 0.889 0.247 0.460     237.192     270.000       7.505    8 
-    120000       24000.00      24.928     -36.782     -11.855   6.09 0.071 0.923 0.245 0.591     226.157     270.000       7.643    8 
-    130000       26000.00      29.603     -44.816     -15.213   6.11 0.143 0.857 0.282 0.461     268.569     270.000       7.484    8 
-    140000       28000.00      26.901     -40.066     -13.165   6.12 0.071 0.889 0.253 0.648     244.059     270.000       7.657    8 
-    150000       30000.00      22.289     -35.893     -13.603   6.92 0.071 0.889 0.207 0.344     202.220     270.000       7.930    8 
-    160000       32000.00      23.993     -34.321     -10.328   6.81 0.071 0.909 0.231 0.404     217.678     270.000       7.899    8 
-    170000       34000.00      26.807     -40.026     -13.219   6.67 0.071 0.917 0.239 0.399     243.204     270.000       8.040    8 
-    180000       36000.00      24.183     -44.082     -19.899   5.88 0.143 0.818 0.277 0.423     219.402     270.000       7.125    8 
-    190000       38000.00      31.724     -36.857      -5.132   5.92 0.071 0.929 0.263 0.798     287.821     270.000       7.108    8 
-    200000       40000.00      30.961     -46.010     -15.049   5.73 0.214 0.786 0.289 0.312     280.893     270.000       6.588    8 
-    210000       42000.00      23.549     -51.649     -28.100   6.57 0.071 0.923 0.259 0.459     213.653     260.000       7.655    8 
-    220000       44000.00      24.730     -31.146      -6.416   6.86 0.071 0.900 0.277 0.589     224.366     260.000       7.816    8 
-    230000       46000.00      24.779     -44.728     -19.949   6.40 0.143 0.833 0.220 0.257     224.807     260.000       7.485    8 
-    240000       48000.00      33.596     -43.456      -9.860   6.85 0.071 0.875 0.239 0.487     304.800     260.000       7.744    8 
-    250000       50000.00      23.977     -36.136     -12.158   5.56 0.000 1.000 0.277 0.335     217.536     260.000       7.267    8 
-    260000       52000.00      31.834     -44.997     -13.163   5.79 0.071 0.900 0.236 0.182     288.814     260.000       6.596    8 
-    270000       54000.00      22.439     -45.244     -22.806   6.34 0.071 0.909 0.248 0.366     203.575     260.000       7.712    8 
-    280000       56000.00      22.716     -44.640     -21.924   5.61 0.071 0.889 0.288 0.516     206.093     260.000       6.942    8 
-    290000       58000.00      25.526     -42.941     -17.415   6.49 0.214 0.750 0.220 0.682     231.587     260.000       7.949    8 
-    300000       60000.00      32.364     -46.531     -14.167   6.30 0.071 0.900 0.268 0.520     293.622     260.000       7.502    8 
-    310000       62000.00      28.645     -40.552     -11.907   5.64 0.143 0.857 0.273 0.419     259.879     290.000       7.328    8 
-    320000       64000.00      25.933     -33.676      -7.743   6.31 0.143 0.818 0.281 0.383     235.275     290.000       7.357    8 
-    330000       66000.00      25.348     -30.904      -5.556   6.29 0.071 0.909 0.256 0.308     229.973     290.000       7.854    8 
-    340000       68000.00      32.859     -34.885      -2.026   6.28 0.143 0.833 0.277 0.602     298.111     290.000       7.767    8 
-    350000       70000.00      33.472     -34.919      -1.447   6.01 0.000 1.000 0.248 0.196     303.676     290.000       7.563    8 
-    360000       72000.00      37.123     -34.707       2.417   5.09 0.143 0.800 0.286 0.153     336.799     290.000       7.061    8 
-    370000       74000.00      29.426     -39.234      -9.808   6.74 0.143 0.833 0.235 0.728     266.972     290.000       7.712    8 
-    380000       76000.00      27.157     -22.387       4.771   5.26 0.071 0.909 0.236 0.153     246.387     290.000       7.359    8 
-    390000       78000.00      30.601     -25.105       5.496   5.38 0.071 0.889 0.242 0.344     277.628     290.000       7.694    8 
-    400000       80000.00      36.355     -30.784       5.572   5.34 0.071 0.923 0.248 0.801     329.833     290.000       6.829    8 
-    410000       82000.00      30.844     -15.648      15.196   4.56 0.286 0.600 0.177 0.570     279.833     320.000       7.847    8 
-    420000       84000.00      34.620      -4.127      30.494   4.58 0.214 0.700 0.195 0.567     314.094     320.000       7.508    8 
-    430000       86000.00      31.384      -9.589      21.795   3.02 0.357 0.667 0.379 0.480     284.734     320.000       6.987    8 
-    440000       88000.00      25.850     -22.412       3.438   3.08 0.214 0.812 0.358 0.560     234.529     320.000       6.357    8 
-    450000       90000.00      33.040      -3.373      29.667   4.73 0.071 0.500 0.136 0.271     299.760     320.000       9.405    8 
-    460000       92000.00      35.384     -13.174      22.210   6.88 0.214 0.667 0.268 0.361     321.021     320.000       7.846    8 
-    470000       94000.00      30.936     -15.887      15.049   4.01 0.214 0.700 0.327 0.594     280.664     320.000       6.928    8 
-    480000       96000.00      38.997     -11.149      27.848   5.47 0.143 0.500 0.148 0.636     353.802     320.000       8.639    8 
-    490000       98000.00      35.261      -9.598      25.663   5.49 0.286 0.714 0.240 0.557     319.906     320.000       7.253    8 
-    500000      100000.00      31.536     -12.679      18.856   3.82 0.286 0.556 0.338 0.801     286.107     320.000       6.522    8 
-    510000      102000.00      27.610     -14.472      13.138   5.71 0.214 0.786 0.263 0.222     250.493     300.000       7.467    8 
-    520000      104000.00      38.714     -24.855      13.860   6.21 0.214 0.700 0.232 0.410     351.238     300.000       7.667    8 
-    530000      106000.00      29.321     -12.621      16.700   6.12 0.286 0.600 0.232 0.721     266.013     300.000       6.771    8 
-    540000      108000.00      42.032     -36.170       5.863   3.75 0.357 0.615 0.245 0.425     381.340     300.000       7.135    8 
-    550000      110000.00      26.938     -26.738       0.199   3.57 0.000 1.000 0.288 0.305     244.394     300.000       7.066    8 
-    560000      112000.00      28.493     -26.266       2.227   3.46 0.357 0.545 0.343 0.226     258.507     300.000       6.989    8 
-    570000      114000.00      27.938     -24.022       3.917   5.95 0.143 0.857 0.273 0.574     253.472     300.000       6.577    8 
-    580000      116000.00      30.740     -20.063      10.677   3.42 0.357 0.615 0.185 0.738     278.893     300.000       7.606    8 
-    590000      118000.00      32.930     -30.890       2.040   2.82 0.214 0.625 0.284 0.700     298.755     300.000       6.649    8 
-    600000      120000.00      35.055     -30.007       5.048   3.20 0.286 0.733 0.267 0.430     318.038     300.000       6.843    8 
-    610000      122000.00      32.214     -28.799       3.416   2.83 0.286 0.692 0.332 0.741     292.266     300.000       6.741    8 
-    620000      124000.00      25.986     -25.401       0.585   3.71 0.286 0.714 0.331 0.431     235.757     300.000       6.343    8 
-    630000      126000.00      25.039     -30.068      -5.028   2.58 0.286 0.667 0.314 0.397     227.171     300.000       6.562    8 
-    640000      128000.00      29.543     -29.857      -0.314   3.33 0.286 0.556 0.293 0.131     268.030     300.000       6.824    8 
-    650000      130000.00      36.587     -17.375      19.212   5.91 0.214 0.750 0.182 0.443     331.933     300.000       8.896    8 
-    660000      132000.00      27.801     -29.992      -2.190   3.35 0.286 0.778 0.366 0.484     252.228     300.000       6.490    8 
-    670000      134000.00      28.397     -21.982       6.414   4.87 0.071 0.875 0.239 0.466     257.628     300.000       7.031    8 
-    680000      136000.00      31.300     -27.937       3.363   5.15 0.286 0.636 0.198 0.300     283.969     300.000       8.087    8 
-    690000      138000.00      32.806     -23.887       8.919   3.18 0.357 0.500 0.368 0.398     297.637     300.000       6.584    8 
-    700000      140000.00      34.348     -23.581      10.768   4.47 0.214 0.727 0.227 0.570     311.627     300.000       7.197    8 
-    710000      142000.00      25.568     -21.752       3.816   4.37 0.214 0.812 0.457 0.292     231.968     300.000       6.212    8 
-    720000      144000.00      28.697     -26.033       2.664   6.48 0.286 0.500 0.159 0.498     260.356     300.000       9.549    8 
-    730000      146000.00      31.823     -27.197       4.625   5.10 0.214 0.625 0.170 0.952     288.710     300.000       8.994    8 
-    740000      148000.00      27.050     -25.675       1.375   3.95 0.214 0.750 0.318 0.459     245.409     300.000       7.263    8 
-    750000      150000.00      32.749     -21.008      11.741   6.48 0.143 0.818 0.318 0.368     297.114     300.000       6.990    8 
-    760000      152000.00      24.357     -28.359      -4.002   2.70 0.214 0.700 0.327 0.778     220.984     300.000       6.867    8 
-    770000      154000.00      31.011      -9.367      21.644   6.62 0.143 0.714 0.208 1.141     281.348     300.000       7.410    8 
-    780000      156000.00      27.527     -27.190       0.337   3.02 0.286 0.500 0.386 0.829     249.741     300.000       6.553    8 
-    790000      158000.00      28.888     -19.493       9.396   6.28 0.214 0.625 0.199 0.696     262.091     300.000       8.683    8 
-    800000      160000.00      26.806     -26.913      -0.107   3.33 0.571 0.429 0.302 0.375     243.199     300.000       7.066    8 
-    810000      162000.00      27.271     -27.577      -0.306   2.86 0.429 0.500 0.277 0.169     247.418     300.000       6.838    8 
-    820000      164000.00      35.079     -22.880      12.198   3.17 0.286 0.667 0.201 0.569     318.251     300.000       7.189    8 
-    830000      166000.00      24.780     -24.030       0.750   5.13 0.214 0.700 0.186 1.006     224.821     300.000       7.761    8 
-    840000      168000.00      32.888     -26.637       6.251   2.76 0.357 0.583 0.208 0.362     298.381     300.000       6.917    8 
-    850000      170000.00      34.910     -15.368      19.542   5.92 0.286 0.692 0.234 0.345     316.718     300.000       7.051    8 
-    860000      172000.00      27.655      -9.248      18.407   5.31 0.214 0.625 0.170 0.417     250.901     300.000       8.461    8 
-    870000      174000.00      35.905     -10.637      25.268   6.30 0.143 0.778 0.157 0.581     325.751     300.000       9.218    8 
-    880000      176000.00      29.205     -21.649       7.556   5.63 0.214 0.500 0.167 0.753     264.967     300.000       8.764    8 
-    890000      178000.00      32.166     -22.370       9.796   4.38 0.143 0.800 0.191 0.348     291.826     300.000       7.513    8 
-    900000      180000.00      27.757     -32.581      -4.824   2.76 0.286 0.600 0.250 0.303     251.829     300.000       7.290    8 
-    910000      182000.00      31.064     -34.102      -3.038   3.23 0.286 0.733 0.391 0.663     281.830     290.000       6.498    8 
-    920000      184000.00      30.328     -27.868       2.460   2.99 0.286 0.636 0.273 0.409     275.147     290.000       7.337    8 
-    930000      186000.00      24.311     -25.684      -1.373   3.60 0.429 0.500 0.189 0.828     220.562     290.000       6.849    8 
-    940000      188000.00      26.207     -32.348      -6.140   3.36 0.214 0.800 0.342 1.046     237.766     290.000       6.366    8 
-    950000      190000.00      31.153     -31.704      -0.551   3.82 0.429 0.600 0.324 0.328     282.634     290.000       6.357    8 
-    960000      192000.00      23.723     -27.795      -4.072   3.69 0.357 0.615 0.269 0.174     215.231     290.000       6.358    8 
-    970000      194000.00      34.217     -30.795       3.422   4.48 0.357 0.583 0.333 0.517     310.433     290.000       6.622    8 
-    980000      196000.00      32.639     -35.439      -2.801   3.71 0.286 0.636 0.252 0.347     296.115     290.000       6.688    8 
-    990000      198000.00      34.193     -31.627       2.566   3.81 0.429 0.667 0.278 0.656     310.214     290.000       6.860    8 
-   1000000      200000.00      33.248     -27.209       6.040   4.23 0.286 0.733 0.306 0.417     301.647     290.000       6.347    8 
+         0           0.00      34.010     115.434     149.444  12.87 0.000   NaN   NaN 4.850     308.559     290.000      15.552    8 
+     10000        2000.00      27.286     -35.918      -8.631   3.00 0.214 0.812 0.378 0.450     247.556     290.000       6.617    8 
+     20000        4000.00      26.811     -37.541     -10.730   3.55 0.286 0.667 0.341 0.712     243.240     290.000       6.527    8 
+     30000        6000.00      25.707     -32.556      -6.849   2.74 0.286 0.667 0.212 0.473     233.225     290.000       7.308    8 
+     40000        8000.00      33.141     -19.428      13.713   7.69 0.214 0.625 0.188 0.631     300.672     290.000       8.877    8 
+     50000       10000.00      29.149     -32.202      -3.053   2.97 0.357 0.545 0.244 0.753     264.457     290.000       6.634    8 
+     60000       12000.00      27.728     -26.105       1.624   3.91 0.143 0.833 0.269 0.335     251.565     290.000       6.861    8 
+     70000       14000.00      26.309     -35.368      -9.059   2.83 0.357 0.706 0.369 0.142     238.691     290.000       6.911    8 
+     80000       16000.00      30.736     -26.998       3.738   5.44 0.000 1.000 0.392 0.215     278.855     290.000       7.351    8 
+     90000       18000.00      26.301     -37.522     -11.221   6.60 0.071 0.909 0.240 0.408     238.618     290.000       7.790    8 
+    100000       20000.00      34.655     -32.833       1.822   3.39 0.357 0.545 0.211 0.641     314.405     290.000       7.060    8 
+    110000       22000.00      27.246     -39.664     -12.417   3.79 0.214 0.700 0.282 0.514     247.194     270.000       6.295    8 
+    120000       24000.00      25.431     -39.452     -14.021   2.93 0.357 0.667 0.242 0.359     230.724     270.000       6.927    8 
+    130000       26000.00      27.879     -38.279     -10.400   3.01 0.357 0.706 0.275 0.301     252.936     270.000       6.580    8 
+    140000       28000.00      29.471     -38.050      -8.579   3.53 0.429 0.538 0.241 0.580     267.379     270.000       7.210    8 
+    150000       30000.00      23.736     -47.891     -24.155   2.71 0.500 0.500 0.289 0.527     215.343     270.000       6.716    8 
+    160000       32000.00      25.131     -40.862     -15.731   2.54 0.214 0.786 0.331 0.242     228.000     270.000       6.678    8 
+    170000       34000.00      27.876     -28.246      -0.370   3.41 0.286 0.667 0.246 0.514     252.904     270.000       7.067    8 
+    180000       36000.00      22.490     -38.688     -16.198   3.00 0.357 0.615 0.185 0.440     204.039     270.000       7.142    8 
+    190000       38000.00      33.026     -35.851      -2.825   3.41 0.286 0.667 0.163 0.841     299.631     270.000       7.445    8 
+    200000       40000.00      31.073     -42.643     -11.570   2.96 0.357 0.615 0.175 0.529     281.906     270.000       7.392    8 
+    210000       42000.00      26.250     -39.350     -13.100   2.77 0.500 0.533 0.239 0.833     238.155     280.000       6.963    8 
+    220000       44000.00      28.428     -32.030      -3.602   3.56 0.286 0.692 0.353 0.158     257.911     280.000       6.318    8 
+    230000       46000.00      26.919     -45.441     -18.522   2.94 0.286 0.750 0.344 0.516     244.225     280.000       6.487    8 
+    240000       48000.00      35.887     -38.407      -2.520   3.07 0.286 0.750 0.378 0.515     325.587     280.000       6.471    8 
+    250000       50000.00      25.645     -32.444      -6.799   3.17 0.286 0.714 0.373 0.482     232.669     280.000       7.098    8 
+    260000       52000.00      32.500     -35.613      -3.113   2.81 0.429 0.667 0.253 0.397     294.854     280.000       6.990    8 
+    270000       54000.00      23.476     -34.059     -10.584   3.15 0.286 0.636 0.207 0.460     212.983     280.000       7.564    8 
+    280000       56000.00      23.288     -41.942     -18.654   3.31 0.286 0.667 0.220 0.421     211.280     280.000       7.137    8 
+    290000       58000.00      29.673     -41.249     -11.576   2.92 0.286 0.733 0.367 0.362     269.212     280.000       6.462    8 
+    300000       60000.00      34.138     -39.975      -5.837   2.70 0.357 0.643 0.260 0.394     309.719     280.000       6.964    8 
+    310000       62000.00      29.425     -43.798     -14.373   3.28 0.286 0.750 0.312 0.517     266.961     270.000       6.483    8 
+    320000       64000.00      24.726     -37.223     -12.498   3.53 0.286 0.600 0.195 0.341     224.324     270.000       7.476    8 
+    330000       66000.00      25.282     -34.359      -9.077   2.73 0.286 0.714 0.253 0.577     229.375     270.000       6.839    8 
+    340000       68000.00      30.255     -48.293     -18.038   2.26 0.429 0.538 0.224 0.936     274.487     270.000       6.628    8 
+    350000       70000.00      29.886     -48.009     -18.123   2.49 0.500 0.533 0.318 0.460     271.142     270.000       6.656    8 
+    360000       72000.00      37.530     -48.962     -11.433   3.04 0.429 0.700 0.359 0.681     340.490     270.000       6.366    8 
+    370000       74000.00      24.321     -41.460     -17.139   2.85 0.357 0.643 0.364 0.682     220.654     270.000       6.589    8 
+    380000       76000.00      28.869     -46.803     -17.934   2.71 0.429 0.647 0.307 0.157     261.919     270.000       6.338    8 
+    390000       78000.00      27.501     -43.988     -16.486   3.46 0.286 0.765 0.299 0.229     249.507     270.000       6.147    8 
+    400000       80000.00      32.371     -46.567     -14.196   2.61 0.357 0.545 0.174 0.201     293.686     270.000       6.896    8 
+    410000       82000.00      25.384     -50.456     -25.072   2.75 0.286 0.692 0.259 0.957     230.295     260.000       6.576    8 
+    420000       84000.00      29.292     -50.414     -21.122   3.26 0.357 0.688 0.241 0.668     265.752     260.000       6.968    8 
+    430000       86000.00      25.410     -43.093     -17.683   3.01 0.286 0.667 0.246 0.162     230.529     260.000       6.902    8 
+    440000       88000.00      21.589     -43.141     -21.551   2.99 0.357 0.643 0.253 0.441     195.870     260.000       6.393    8 
+    450000       90000.00      28.732     -47.976     -19.244   2.31 0.429 0.500 0.212 0.541     260.669     260.000       6.778    8 
+    460000       92000.00      28.365     -55.015     -26.650   2.77 0.357 0.706 0.297 0.357     257.342     260.000       6.301    8 
+    470000       94000.00      25.371     -55.715     -30.344   2.53 0.429 0.625 0.233 0.361     230.176     260.000       6.818    8 
+    480000       96000.00      32.237     -50.171     -17.934   2.94 0.214 0.769 0.255 0.448     292.472     260.000       7.169    8 
+    490000       98000.00      28.995     -49.515     -20.520   2.71 0.357 0.667 0.197 0.277     263.057     260.000       7.027    8 
+    500000      100000.00      24.920     -43.238     -18.318   2.98 0.286 0.692 0.206 0.644     226.088     260.000       7.038    8 
+    510000      102000.00      25.780     -48.142     -22.361   3.02 0.357 0.667 0.297 0.412     233.891     260.000       6.792    8 
+    520000      104000.00      30.301     -53.770     -23.469   2.70 0.357 0.615 0.262 0.233     274.904     260.000       6.545    8 
+    530000      106000.00      24.303     -41.934     -17.631   2.82 0.429 0.538 0.283 0.769     220.490     260.000       6.894    8 
+    540000      108000.00      34.890     -52.206     -17.315   2.46 0.286 0.636 0.248 0.879     316.544     260.000       6.790    8 
+    550000      110000.00      23.829     -32.174      -8.345   3.13 0.357 0.583 0.265 0.333     216.187     260.000       6.875    8 
+    560000      112000.00      25.514     -45.056     -19.542   2.81 0.286 0.733 0.188 0.236     231.474     260.000       7.168    8 
+    570000      114000.00      23.946     -50.961     -27.015   2.83 0.357 0.706 0.356 0.459     217.247     260.000       6.706    8 
+    580000      116000.00      25.907     -44.814     -18.906   2.65 0.500 0.500 0.218 0.489     235.046     260.000       6.894    8 
+    590000      118000.00      27.834     -50.058     -22.224   2.75 0.286 0.714 0.312 0.405     252.522     260.000       6.568    8 
+    600000      120000.00      31.657     -45.793     -14.136   2.61 0.429 0.600 0.242 0.445     287.210     260.000       6.417    8 
+    610000      122000.00      26.526     -42.052     -15.527   2.89 0.214 0.700 0.218 0.704     240.654     260.000       6.788    8 
+    620000      124000.00      23.720     -54.299     -30.580   3.00 0.286 0.714 0.289 0.212     215.199     260.000       6.620    8 
+    630000      126000.00      23.084     -49.312     -26.227   2.68 0.286 0.733 0.212 0.725     209.434     260.000       7.102    8 
+    640000      128000.00      24.579     -51.065     -26.487   2.52 0.214 0.750 0.269 0.505     222.992     260.000       6.669    8 
+    650000      130000.00      25.082     -40.943     -15.861   2.73 0.214 0.750 0.277 0.349     227.557     260.000       6.356    8 
+    660000      132000.00      24.670     -36.110     -11.441   3.10 0.143 0.818 0.215 0.293     223.818     260.000       7.209    8 
+    670000      134000.00      24.666     -44.462     -19.796   3.82 0.429 0.538 0.189 0.577     223.787     260.000       7.265    8 
+    680000      136000.00      28.608     -49.362     -20.754   2.92 0.357 0.667 0.255 0.344     259.543     260.000       6.612    8 
+    690000      138000.00      26.325     -40.481     -14.156   2.57 0.500 0.533 0.242 0.481     238.835     260.000       6.813    8 
+    700000      140000.00      29.251     -45.806     -16.555   3.60 0.286 0.667 0.254 0.316     265.384     260.000       7.205    8 
+    710000      142000.00      21.698     -39.794     -18.096   2.67 0.429 0.667 0.293 0.432     196.856     280.000       6.461    8 
+    720000      144000.00      31.655     -40.962      -9.306   2.92 0.286 0.636 0.215 0.562     287.193     280.000       7.060    8 
+    730000      146000.00      31.774     -37.474      -5.700   3.90 0.357 0.583 0.208 0.746     288.275     280.000       7.293    8 
+    740000      148000.00      22.244     -30.186      -7.942   3.06 0.357 0.500 0.305 0.428     201.806     280.000       6.774    8 
+    750000      150000.00      30.512     -37.447      -6.935   2.82 0.357 0.615 0.262 0.391     276.818     280.000       7.096    8 
+    760000      152000.00      24.353     -36.554     -12.201   2.94 0.143 0.750 0.193 0.563     220.945     280.000       7.122    8 
+    770000      154000.00      27.486     -30.887      -3.402   4.29 0.286 0.692 0.266 0.503     249.366     280.000       6.658    8 
+    780000      156000.00      24.399     -37.921     -13.522   2.85 0.214 0.786 0.370 0.411     221.358     280.000       6.148    8 
+    790000      158000.00      29.110     -33.583      -4.473   2.57 0.357 0.583 0.220 0.591     264.104     280.000       6.977    8 
+    800000      160000.00      23.513     -42.722     -19.209   3.22 0.357 0.667 0.279 0.807     213.318     280.000       6.499    8 
+    810000      162000.00      27.878     -26.705       1.173   5.28 0.357 0.500 0.168 0.444     252.923     290.000       8.598    8 
+    820000      164000.00      32.936     -24.212       8.723   3.25 0.286 0.692 0.385 0.290     298.810     290.000       6.664    8 
+    830000      166000.00      27.697     -33.474      -5.777   2.82 0.357 0.615 0.280 0.209     251.278     290.000       6.857    8 
+    840000      168000.00      31.224     -27.809       3.415   3.03 0.214 0.727 0.202 0.320     283.279     290.000       6.956    8 
+    850000      170000.00      32.878     -21.303      11.575   6.45 0.286 0.429 0.162 0.847     298.282     290.000       8.725    8 
+    860000      172000.00      28.019     -34.919      -6.900   2.72 0.429 0.625 0.236 0.301     254.200     290.000       6.737    8 
+    870000      174000.00      36.982     -33.670       3.312   2.77 0.357 0.545 0.211 0.301     335.521     290.000       6.659    8 
+    880000      176000.00      29.067     -24.492       4.575   2.91 0.214 0.667 0.177 0.378     263.709     290.000       6.950    8 
+    890000      178000.00      30.964     -25.398       5.565   3.99 0.214 0.800 0.288 0.247     280.917     290.000       6.497    8 
+    900000      180000.00      26.483     -39.536     -13.053   2.82 0.214 0.727 0.314 0.595     240.268     290.000       6.654    8 
+    910000      182000.00      29.553     -32.573      -3.020   3.05 0.286 0.600 0.245 0.489     268.116     290.000       7.310    8 
+    920000      184000.00      25.830     -29.923      -4.093   3.43 0.214 0.769 0.343 0.591     234.344     290.000       6.688    8 
+    930000      186000.00      25.449     -30.007      -4.559   6.11 0.214 0.769 0.273 0.357     230.884     290.000       6.715    8 
+    940000      188000.00      29.383     -33.785      -4.403   5.49 0.214 0.769 0.294 0.625     266.574     290.000       6.874    8 
+    950000      190000.00      29.795     -32.548      -2.753   3.09 0.143 0.778 0.348 0.323     270.319     290.000       6.815    8 
+    960000      192000.00      20.909     -38.370     -17.462   3.15 0.286 0.600 0.223 0.197     189.694     290.000       7.177    8 
+    970000      194000.00      33.855     -23.784      10.071   3.16 0.214 0.667 0.172 1.039     307.146     290.000       6.728    8 
+    980000      196000.00      31.929     -30.892       1.037   2.59 0.500 0.364 0.248 0.329     289.675     290.000       6.577    8 
+    990000      198000.00      35.039     -33.967       1.072   2.85 0.357 0.583 0.280 0.392     317.889     290.000       6.929    8 
+   1000000      200000.00      36.965     -30.672       6.293   3.31 0.286 0.636 0.178 0.175     335.365     290.000       6.951    8 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB009.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB009.stat
index b11cfb9..ca07192 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB009.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB009.stat
@@ -1,101 +1,101 @@
-         0           0.00      24.567     116.133     140.700  12.87 0.000   NaN   NaN 4.851     222.882     270.000      15.552    9 
-     10000        2000.00      26.549     -41.341     -14.792   2.67 0.357 0.583 0.220 0.816     240.866     270.000       6.944    9 
-     20000        4000.00      20.648     -38.688     -18.040   2.42 0.429 0.625 0.276 0.533     187.332     270.000       6.630    9 
-     30000        6000.00      26.777     -42.093     -15.316   2.81 0.357 0.583 0.258 0.336     242.937     270.000       6.746    9 
-     40000        8000.00      22.613     -44.792     -22.180   2.90 0.500 0.500 0.205 0.537     205.154     270.000       7.163    9 
-     50000       10000.00      25.822     -48.336     -22.513   2.73 0.429 0.625 0.301 0.213     234.274     270.000       6.515    9 
-     60000       12000.00      28.188     -41.471     -13.283   3.09 0.357 0.583 0.197 0.681     255.739     270.000       7.177    9 
-     70000       14000.00      27.118     -43.630     -16.513   2.91 0.286 0.733 0.258 0.686     246.025     270.000       6.527    9 
-     80000       16000.00      21.978     -47.619     -25.641   2.60 0.500 0.500 0.250 0.373     199.395     270.000       6.493    9 
-     90000       18000.00      22.521     -40.136     -17.615   2.43 0.357 0.643 0.237 0.214     204.324     270.000       6.891    9 
-    100000       20000.00      26.259     -36.821     -10.562   2.89 0.429 0.455 0.202 0.388     238.231     270.000       7.073    9 
-    110000       22000.00      30.818     -51.959     -21.141   2.55 0.357 0.583 0.239 1.076     279.599     260.000       6.666    9 
-    120000       24000.00      25.994     -44.493     -18.499   3.27 0.214 0.800 0.276 0.789     235.832     260.000       6.613    9 
-    130000       26000.00      23.023     -54.667     -31.644   3.08 0.571 0.600 0.320 0.741     208.880     260.000       6.560    9 
-    140000       28000.00      30.202     -52.445     -22.243   3.30 0.500 0.588 0.273 0.425     274.010     260.000       6.902    9 
-    150000       30000.00      19.429     -49.269     -29.841   2.68 0.429 0.667 0.189 0.699     176.267     260.000       6.649    9 
-    160000       32000.00      27.540     -50.274     -22.734   2.87 0.286 0.778 0.356 0.449     249.857     260.000       6.190    9 
-    170000       34000.00      22.596     -55.772     -33.176   2.46 0.286 0.714 0.256 0.697     205.002     260.000       6.795    9 
-    180000       36000.00      27.785     -49.572     -21.786   3.13 0.357 0.762 0.320 0.431     252.082     260.000       6.523    9 
-    190000       38000.00      27.143     -41.747     -14.603   3.13 0.357 0.545 0.178 0.527     246.258     260.000       6.982    9 
-    200000       40000.00      31.330     -46.392     -15.063   3.56 0.286 0.714 0.380 0.635     284.239     260.000       6.097    9 
-    210000       42000.00      28.436     -41.022     -12.586   3.21 0.214 0.727 0.264 0.378     257.988     270.000       6.274    9 
-    220000       44000.00      24.228     -32.128      -7.900   3.39 0.214 0.786 0.282 0.452     219.811     270.000       6.708    9 
-    230000       46000.00      23.999     -40.373     -16.374   2.79 0.357 0.667 0.200 0.409     217.732     270.000       6.910    9 
-    240000       48000.00      25.070     -49.785     -24.715   2.89 0.286 0.733 0.236 0.237     227.447     270.000       6.587    9 
-    250000       50000.00      33.859     -45.478     -11.619   3.18 0.286 0.714 0.279 0.204     307.185     270.000       6.499    9 
-    260000       52000.00      28.535     -44.747     -16.212   2.74 0.429 0.571 0.266 0.635     258.881     270.000       6.538    9 
-    270000       54000.00      24.386     -42.793     -18.407   3.10 0.214 0.786 0.328 0.338     221.238     270.000       6.323    9 
-    280000       56000.00      23.906     -46.529     -22.623   2.52 0.500 0.588 0.257 0.322     216.888     270.000       6.567    9 
-    290000       58000.00      26.056     -40.451     -14.395   2.96 0.286 0.600 0.186 0.511     236.389     270.000       7.087    9 
-    300000       60000.00      30.188     -43.455     -13.267   2.87 0.429 0.600 0.261 0.306     273.880     270.000       6.459    9 
-    310000       62000.00      25.856     -46.612     -20.756   2.85 0.286 0.636 0.248 0.313     234.578     270.000       6.718    9 
-    320000       64000.00      27.728     -37.065      -9.338   2.68 0.429 0.500 0.178 0.164     251.559     270.000       7.132    9 
-    330000       66000.00      27.008     -45.931     -18.923   3.17 0.429 0.625 0.216 0.466     245.029     270.000       7.093    9 
-    340000       68000.00      25.192     -45.867     -20.675   2.75 0.429 0.500 0.197 0.372     228.556     270.000       7.163    9 
-    350000       70000.00      28.768     -39.048     -10.279   2.77 0.286 0.636 0.190 0.654     261.001     270.000       7.094    9 
-    360000       72000.00      24.625     -41.688     -17.064   3.53 0.286 0.500 0.176 0.508     223.408     270.000       7.554    9 
-    370000       74000.00      30.698     -48.423     -17.725   2.66 0.429 0.455 0.174 0.458     278.511     270.000       7.041    9 
-    380000       76000.00      27.055     -40.516     -13.461   3.06 0.286 0.429 0.182 0.885     245.456     270.000       7.166    9 
-    390000       78000.00      21.048     -45.660     -24.612   2.76 0.143 0.846 0.304 0.251     190.959     270.000       6.329    9 
-    400000       80000.00      26.764     -41.470     -14.707   2.78 0.286 0.667 0.193 0.248     242.813     270.000       6.943    9 
-    410000       82000.00      26.806     -30.036      -3.231   5.23 0.286 0.556 0.298 0.724     243.196     270.000       6.738    9 
-    420000       84000.00      30.026     -46.622     -16.595   2.77 0.357 0.643 0.201 0.386     272.416     270.000       7.011    9 
-    430000       86000.00      29.367     -36.977      -7.610   3.72 0.071 0.875 0.324 0.667     266.432     270.000       6.561    9 
-    440000       88000.00      29.579     -46.288     -16.708   2.82 0.357 0.583 0.197 0.435     268.358     270.000       6.594    9 
-    450000       90000.00      28.669     -41.001     -12.333   2.77 0.357 0.688 0.318 0.332     260.096     270.000       7.037    9 
-    460000       92000.00      26.758     -44.135     -17.377   3.31 0.214 0.750 0.409 0.909     242.765     270.000       6.640    9 
-    470000       94000.00      35.748     -42.968      -7.219   2.67 0.286 0.714 0.318 0.278     324.329     270.000       6.331    9 
-    480000       96000.00      31.399     -39.448      -8.048   3.35 0.286 0.667 0.254 1.041     284.870     270.000       6.653    9 
-    490000       98000.00      26.247     -45.365     -19.119   3.28 0.286 0.667 0.197 0.379     238.122     270.000       7.508    9 
-    500000      100000.00      31.060     -49.089     -18.029   2.92 0.286 0.733 0.312 0.541     281.790     270.000       6.455    9 
-    510000      102000.00      22.965     -44.117     -21.151   2.64 0.286 0.692 0.238 1.021     208.355     260.000       6.630    9 
-    520000      104000.00      27.475     -45.389     -17.914   3.48 0.357 0.583 0.258 1.000     249.269     260.000       6.863    9 
-    530000      106000.00      28.440     -43.864     -15.424   2.81 0.357 0.583 0.216 0.354     258.023     260.000       6.858    9 
-    540000      108000.00      26.082     -41.887     -15.805   3.40 0.214 0.750 0.242 0.897     236.625     260.000       7.123    9 
-    550000      110000.00      27.200     -46.599     -19.399   3.08 0.357 0.615 0.266 1.009     246.770     260.000       7.097    9 
-    560000      112000.00      31.263     -45.965     -14.702   2.56 0.214 0.833 0.316 0.654     283.637     260.000       6.356    9 
-    570000      114000.00      25.258     -45.773     -20.515   3.01 0.429 0.455 0.174 0.746     229.154     260.000       7.274    9 
-    580000      116000.00      25.681     -52.808     -27.128   2.86 0.286 0.765 0.380 0.402     232.988     260.000       6.183    9 
-    590000      118000.00      26.605     -40.678     -14.073   2.66 0.286 0.600 0.264 0.994     241.375     260.000       7.223    9 
-    600000      120000.00      28.505     -48.689     -20.184   2.84 0.429 0.684 0.280 0.491     258.614     260.000       6.304    9 
-    610000      122000.00      26.341     -46.757     -20.417   3.00 0.357 0.545 0.252 0.264     238.975     260.000       7.049    9 
-    620000      124000.00      26.801     -43.354     -16.553   2.39 0.286 0.733 0.224 0.862     243.148     260.000       6.812    9 
-    630000      126000.00      24.657     -43.671     -19.014   3.27 0.214 0.625 0.312 0.120     223.700     260.000       6.794    9 
-    640000      128000.00      25.091     -45.786     -20.695   2.51 0.429 0.600 0.276 0.582     227.637     260.000       6.526    9 
-    650000      130000.00      23.848     -40.871     -17.023   2.81 0.286 0.600 0.250 0.398     216.360     260.000       6.785    9 
-    660000      132000.00      23.406     -45.080     -21.673   3.03 0.429 0.571 0.237 0.545     212.356     260.000       7.128    9 
-    670000      134000.00      31.834     -45.675     -13.841   2.70 0.429 0.538 0.189 1.507     288.814     260.000       6.816    9 
-    680000      136000.00      26.737     -46.956     -20.219   3.08 0.357 0.500 0.191 0.432     242.575     260.000       6.777    9 
-    690000      138000.00      26.964     -46.524     -19.560   3.05 0.357 0.667 0.258 0.344     244.634     260.000       6.655    9 
-    700000      140000.00      17.600     -45.722     -28.122   2.94 0.357 0.688 0.307 0.262     159.677     260.000       6.661    9 
-    710000      142000.00      24.428     -45.395     -20.967   3.43 0.143 0.818 0.178 0.281     221.625     250.000       7.535    9 
-    720000      144000.00      20.593     -55.856     -35.263   2.83 0.357 0.750 0.368 0.404     186.829     250.000       6.688    9 
-    730000      146000.00      30.113     -57.570     -27.457   2.96 0.429 0.625 0.310 0.536     273.204     250.000       6.155    9 
-    740000      148000.00      28.010     -56.122     -28.112   3.16 0.357 0.643 0.231 0.916     254.124     250.000       6.986    9 
-    750000      150000.00      24.630     -46.480     -21.850   2.84 0.357 0.545 0.202 0.591     223.457     250.000       7.011    9 
-    760000      152000.00      28.995     -58.474     -29.480   2.95 0.357 0.722 0.333 0.649     263.053     250.000       6.144    9 
-    770000      154000.00      25.981     -58.314     -32.333   2.83 0.429 0.600 0.285 0.697     235.717     250.000       6.275    9 
-    780000      156000.00      20.416     -54.602     -34.186   2.87 0.286 0.765 0.364 0.233     185.224     250.000       6.434    9 
-    790000      158000.00      20.985     -55.265     -34.280   2.93 0.429 0.571 0.289 0.450     190.383     250.000       6.365    9 
-    800000      160000.00      27.195     -53.139     -25.943   2.93 0.214 0.750 0.341 0.362     246.730     250.000       6.245    9 
-    810000      162000.00      26.305     -51.315     -25.010   2.59 0.429 0.667 0.245 0.646     238.654     260.000       6.639    9 
-    820000      164000.00      29.294     -48.245     -18.951   2.90 0.429 0.500 0.201 0.950     265.769     260.000       6.514    9 
-    830000      166000.00      32.518     -41.132      -8.615   2.82 0.143 0.867 0.297 0.888     295.016     260.000       6.315    9 
-    840000      168000.00      23.209     -41.554     -18.346   3.14 0.286 0.556 0.207 0.381     210.563     260.000       7.297    9 
-    850000      170000.00      31.440     -43.501     -12.061   2.50 0.214 0.769 0.280 0.297     285.243     260.000       6.699    9 
-    860000      172000.00      21.424     -48.233     -26.810   2.94 0.429 0.625 0.224 0.198     194.366     260.000       6.750    9 
-    870000      174000.00      24.206     -48.535     -24.329   3.12 0.286 0.636 0.194 0.347     219.609     260.000       7.058    9 
-    880000      176000.00      27.023     -48.858     -21.836   2.92 0.357 0.688 0.276 0.668     245.163     260.000       6.298    9 
-    890000      178000.00      21.041     -45.123     -24.081   2.92 0.357 0.667 0.242 0.180     190.897     260.000       6.985    9 
-    900000      180000.00      25.810     -46.565     -20.754   2.79 0.571 0.429 0.211 0.383     234.165     260.000       6.909    9 
-    910000      182000.00      31.629     -31.169       0.460   5.50 0.286 0.826 0.265 0.413     286.958     280.000       6.909    9 
-    920000      184000.00      25.164     -27.256      -2.092   3.04 0.286 0.500 0.182 0.448     228.302     280.000       7.388    9 
-    930000      186000.00      29.828     -32.502      -2.673   2.64 0.429 0.571 0.256 0.457     270.618     280.000       6.744    9 
-    940000      188000.00      28.663     -34.841      -6.177   2.16 0.571 0.429 0.166 0.386     260.048     280.000       7.003    9 
-    950000      190000.00      31.867     -38.611      -6.744   3.54 0.357 0.643 0.321 0.408     289.109     280.000       6.567    9 
-    960000      192000.00      25.425     -40.543     -15.119   2.80 0.214 0.824 0.334 0.843     230.666     280.000       6.654    9 
-    970000      194000.00      26.263     -31.382      -5.119   3.22 0.429 0.625 0.264 0.324     238.273     280.000       7.444    9 
-    980000      196000.00      34.488     -28.296       6.192   2.81 0.143 0.750 0.250 1.201     312.894     280.000       7.164    9 
-    990000      198000.00      32.752     -44.832     -12.080   2.78 0.357 0.706 0.369 0.625     297.146     280.000       6.620    9 
-   1000000      200000.00      31.940     -33.661      -1.721   2.78 0.214 0.700 0.241 0.651     289.775     280.000       7.087    9 
+         0           0.00      26.387     115.434     141.820  12.87 0.000   NaN   NaN 4.850     239.392     290.000      15.552    9 
+     10000        2000.00      27.880     -36.369      -8.488   3.57 0.429 0.500 0.220 0.351     252.946     290.000       7.171    9 
+     20000        4000.00      22.268     -28.826      -6.558   5.79 0.214 0.786 0.308 0.480     202.027     290.000       6.619    9 
+     30000        6000.00      30.974     -33.896      -2.921   4.23 0.357 0.545 0.256 0.319     281.014     290.000       6.916    9 
+     40000        8000.00      25.820     -16.755       9.065   6.99 0.357 0.615 0.199 0.337     234.255     290.000       8.414    9 
+     50000       10000.00      28.538     -22.306       6.231   6.72 0.286 0.556 0.222 0.345     258.910     290.000       8.047    9 
+     60000       12000.00      30.272     -24.340       5.932   4.13 0.214 0.727 0.227 0.542     274.643     290.000       7.477    9 
+     70000       14000.00      28.503     -21.814       6.689   4.32 0.357 0.615 0.266 0.428     258.594     290.000       7.465    9 
+     80000       16000.00      24.160     -28.021      -3.862   3.85 0.286 0.636 0.397 0.191     219.190     290.000       7.010    9 
+     90000       18000.00      24.876     -29.064      -4.188   3.90 0.143 0.800 0.223 0.343     225.687     290.000       6.733    9 
+    100000       20000.00      27.690     -16.440      11.250   3.86 0.214 0.727 0.273 0.780     251.221     290.000       7.684    9 
+    110000       22000.00      32.101     -25.335       6.765   4.11 0.286 0.714 0.269 1.167     291.236     290.000       6.710    9 
+    120000       24000.00      34.725     -23.105      11.619   3.84 0.214 0.700 0.300 0.804     315.039     290.000       6.958    9 
+    130000       26000.00      23.833     -25.720      -1.887   3.71 0.286 0.750 0.276 0.630     216.227     290.000       6.953    9 
+    140000       28000.00      35.483     -28.415       7.068   3.44 0.357 0.500 0.314 0.421     321.924     290.000       7.215    9 
+    150000       30000.00      20.763     -25.861      -5.098   3.64 0.214 0.750 0.208 0.598     188.371     290.000       7.300    9 
+    160000       32000.00      32.615     -29.854       2.761   3.59 0.357 0.688 0.270 0.383     295.902     290.000       6.650    9 
+    170000       34000.00      19.937     -30.479     -10.542   3.68 0.214 0.786 0.221 0.464     180.881     290.000       7.374    9 
+    180000       36000.00      29.925     -23.056       6.870   3.82 0.214 0.700 0.232 0.462     271.499     290.000       6.890    9 
+    190000       38000.00      30.262     -26.286       3.977   4.49 0.214 0.750 0.269 0.698     274.554     290.000       6.816    9 
+    200000       40000.00      37.044     -31.289       5.755   4.52 0.214 0.800 0.282 0.524     336.079     290.000       6.659    9 
+    210000       42000.00      30.238     -22.294       7.944   3.71 0.357 0.643 0.205 0.388     274.336     290.000       6.767    9 
+    220000       44000.00      28.382     -34.837      -6.455   3.90 0.286 0.765 0.364 0.335     257.500     290.000       6.911    9 
+    230000       46000.00      26.666     -31.037      -4.371   3.49 0.286 0.667 0.223 0.434     241.926     290.000       6.960    9 
+    240000       48000.00      25.593     -27.660      -2.067   3.78 0.000 1.000 0.322 0.422     232.197     290.000       6.927    9 
+    250000       50000.00      37.478     -33.294       4.184   4.02 0.143 0.857 0.377 1.182     340.023     290.000       6.741    9 
+    260000       52000.00      29.880     -24.545       5.335   4.01 0.357 0.615 0.273 0.278     271.082     290.000       6.751    9 
+    270000       54000.00      21.325     -30.748      -9.422   3.77 0.286 0.692 0.332 0.888     193.472     290.000       6.938    9 
+    280000       56000.00      25.218     -22.750       2.468   4.47 0.214 0.786 0.250 0.396     228.795     290.000       7.122    9 
+    290000       58000.00      26.041     -32.199      -6.157   4.48 0.143 0.818 0.256 0.544     236.262     290.000       7.407    9 
+    300000       60000.00      33.727     -33.899      -0.172   4.01 0.357 0.688 0.378 0.736     305.989     290.000       7.046    9 
+    310000       62000.00      27.284     -41.727     -14.442   3.97 0.357 0.583 0.420 0.730     247.538     280.000       6.874    9 
+    320000       64000.00      30.167     -42.398     -12.231   4.44 0.429 0.714 0.385 0.382     273.694     280.000       6.424    9 
+    330000       66000.00      25.542     -29.227      -3.686   3.96 0.286 0.714 0.364 0.451     231.727     280.000       6.517    9 
+    340000       68000.00      25.315     -28.124      -2.808   4.35 0.357 0.500 0.164 0.214     229.674     280.000       7.819    9 
+    350000       70000.00      28.435     -24.752       3.684   4.37 0.286 0.765 0.283 0.509     257.980     280.000       6.353    9 
+    360000       72000.00      25.872     -31.529      -5.657   4.00 0.214 0.769 0.283 1.231     234.720     280.000       6.627    9 
+    370000       74000.00      30.527     -30.023       0.504   4.12 0.357 0.722 0.336 0.204     276.957     280.000       6.904    9 
+    380000       76000.00      26.017     -30.428      -4.411   3.65 0.286 0.714 0.347 0.211     236.041     280.000       7.234    9 
+    390000       78000.00      25.211     -41.477     -16.266   3.57 0.214 0.786 0.318 0.452     228.725     280.000       6.685    9 
+    400000       80000.00      27.132     -34.939      -7.807   3.43 0.286 0.733 0.312 0.209     246.154     280.000       6.757    9 
+    410000       82000.00      27.152     -41.345     -14.193   3.64 0.429 0.684 0.328 0.506     246.337     270.000       6.682    9 
+    420000       84000.00      29.342     -38.989      -9.647   3.54 0.214 0.824 0.283 0.523     266.204     270.000       6.764    9 
+    430000       86000.00      30.814     -41.027     -10.213   3.58 0.214 0.750 0.239 0.524     279.557     270.000       7.258    9 
+    440000       88000.00      22.021     -39.066     -17.045   3.51 0.286 0.556 0.212 0.405     199.782     270.000       6.987    9 
+    450000       90000.00      27.474     -34.382      -6.908   3.84 0.286 0.636 0.194 0.696     249.259     270.000       7.297    9 
+    460000       92000.00      26.978     -39.382     -12.404   3.96 0.357 0.667 0.309 0.179     244.757     270.000       6.719    9 
+    470000       94000.00      31.893     -37.565      -5.673   3.79 0.214 0.812 0.389 0.345     289.349     270.000       6.582    9 
+    480000       96000.00      31.918     -43.470     -11.552   3.85 0.214 0.750 0.201 0.660     289.576     270.000       7.342    9 
+    490000       98000.00      26.585     -46.424     -19.839   3.68 0.429 0.647 0.294 0.230     241.194     270.000       6.831    9 
+    500000      100000.00      30.424     -45.261     -14.837   3.61 0.286 0.765 0.340 0.496     276.027     270.000       6.635    9 
+    510000      102000.00      25.481     -38.367     -12.886   3.66 0.286 0.600 0.168 0.969     231.175     270.000       7.479    9 
+    520000      104000.00      30.593     -39.137      -8.544   3.48 0.429 0.571 0.279 0.839     277.560     270.000       7.076    9 
+    530000      106000.00      29.178     -40.029     -10.851   3.70 0.286 0.733 0.324 1.001     264.714     270.000       6.872    9 
+    540000      108000.00      26.353     -43.300     -16.948   3.34 0.286 0.714 0.344 0.415     239.085     270.000       6.860    9 
+    550000      110000.00      29.237     -38.474      -9.236   3.47 0.286 0.733 0.358 0.326     265.256     270.000       6.791    9 
+    560000      112000.00      33.118     -39.795      -6.677   4.51 0.214 0.786 0.256 0.631     300.463     270.000       7.127    9 
+    570000      114000.00      27.824     -39.645     -11.821   4.49 0.143 0.778 0.182 0.508     252.435     270.000       7.366    9 
+    580000      116000.00      25.187     -42.053     -16.866   3.68 0.143 0.857 0.383 0.601     228.509     270.000       6.594    9 
+    590000      118000.00      28.947     -44.429     -15.483   4.41 0.571 0.652 0.241 0.910     262.622     270.000       6.741    9 
+    600000      120000.00      29.122     -38.293      -9.171   4.88 0.286 0.636 0.153 0.772     264.211     270.000       7.351    9 
+    610000      122000.00      28.181     -46.107     -17.926   3.43 0.286 0.636 0.273 0.294     255.673     270.000       6.947    9 
+    620000      124000.00      30.568     -38.776      -8.208   3.65 0.357 0.706 0.334 0.832     277.330     270.000       6.738    9 
+    630000      126000.00      23.483     -39.540     -16.057   3.86 0.500 0.533 0.279 0.322     213.050     270.000       6.403    9 
+    640000      128000.00      25.319     -41.723     -16.404   3.85 0.286 0.778 0.361 0.705     229.711     270.000       6.550    9 
+    650000      130000.00      24.350     -47.708     -23.358   3.74 0.286 0.714 0.308 0.431     220.914     270.000       6.619    9 
+    660000      132000.00      23.194     -41.401     -18.208   3.71 0.214 0.800 0.267 0.992     210.425     270.000       6.746    9 
+    670000      134000.00      33.369     -38.195      -4.826   4.56 0.286 0.733 0.318 0.579     302.738     270.000       6.590    9 
+    680000      136000.00      27.499     -47.906     -20.407   3.60 0.357 0.643 0.321 0.722     249.489     270.000       6.611    9 
+    690000      138000.00      29.769     -32.195      -2.426   5.19 0.357 0.643 0.286 0.375     270.081     270.000       6.568    9 
+    700000      140000.00      19.924     -35.410     -15.486   6.68 0.143 0.818 0.186 0.301     180.762     270.000       8.148    9 
+    710000      142000.00      25.094     -32.804      -7.710   6.73 0.214 0.700 0.195 0.426     227.667     270.000       8.291    9 
+    720000      144000.00      22.464     -36.218     -13.754   3.88 0.286 0.692 0.287 0.369     203.804     270.000       6.721    9 
+    730000      146000.00      31.306     -42.990     -11.684   3.95 0.429 0.647 0.254 0.913     284.023     270.000       6.636    9 
+    740000      148000.00      30.120     -38.707      -8.587   3.60 0.214 0.786 0.318 0.399     273.264     270.000       6.739    9 
+    750000      150000.00      27.154     -40.658     -13.504   4.80 0.429 0.647 0.246 0.680     246.354     270.000       6.730    9 
+    760000      152000.00      33.473     -35.414      -1.941   4.17 0.286 0.733 0.227 0.452     303.684     270.000       6.881    9 
+    770000      154000.00      27.575     -42.010     -14.435   4.44 0.214 0.824 0.332 0.728     250.179     270.000       6.179    9 
+    780000      156000.00      22.077     -40.739     -18.662   3.91 0.357 0.643 0.240 0.320     200.292     270.000       6.839    9 
+    790000      158000.00      23.544     -38.240     -14.697   3.94 0.143 0.800 0.227 0.685     213.602     270.000       7.077    9 
+    800000      160000.00      30.552     -43.664     -13.112   3.59 0.214 0.750 0.379 0.291     277.180     270.000       6.760    9 
+    810000      162000.00      26.664     -31.316      -4.652   3.95 0.286 0.714 0.221 0.476     241.910     270.000       6.951    9 
+    820000      164000.00      31.326     -38.275      -6.949   4.16 0.429 0.600 0.261 0.683     284.203     270.000       6.864    9 
+    830000      166000.00      31.923     -35.376      -3.453   3.75 0.286 0.667 0.246 0.887     289.622     270.000       6.951    9 
+    840000      168000.00      23.031     -39.746     -16.715   4.42 0.286 0.733 0.288 0.432     208.950     270.000       6.450    9 
+    850000      170000.00      34.651     -30.263       4.387   4.25 0.143 0.818 0.194 0.502     314.368     270.000       7.104    9 
+    860000      172000.00      21.075     -36.351     -15.276   3.75 0.500 0.533 0.212 0.584     191.204     270.000       7.097    9 
+    870000      174000.00      22.740     -34.734     -11.994   4.96 0.214 0.727 0.227 0.716     206.309     270.000       7.564    9 
+    880000      176000.00      31.077     -36.816      -5.738   4.52 0.143 0.846 0.280 0.595     281.950     270.000       6.329    9 
+    890000      178000.00      22.094     -39.485     -17.392   3.74 0.286 0.636 0.207 0.478     200.446     270.000       7.158    9 
+    900000      180000.00      28.395     -40.704     -12.309   3.88 0.286 0.667 0.254 0.643     257.617     270.000       6.871    9 
+    910000      182000.00      28.220     -42.913     -14.692   4.39 0.286 0.667 0.231 0.378     256.030     270.000       6.895    9 
+    920000      184000.00      25.722     -43.927     -18.205   4.31 0.357 0.643 0.302 0.415     233.360     270.000       6.630    9 
+    930000      186000.00      26.918     -44.598     -17.680   4.33 0.429 0.647 0.259 0.418     244.217     270.000       6.960    9 
+    940000      188000.00      28.143     -32.200      -4.057   4.29 0.143 0.778 0.212 0.478     255.325     270.000       6.944    9 
+    950000      190000.00      31.848     -38.384      -6.535   4.07 0.357 0.583 0.265 1.072     288.945     270.000       7.161    9 
+    960000      192000.00      23.952     -33.101      -9.148   3.92 0.429 0.625 0.259 0.357     217.308     270.000       6.946    9 
+    970000      194000.00      24.676     -35.327     -10.651   3.99 0.143 0.833 0.314 0.425     223.873     270.000       6.705    9 
+    980000      196000.00      37.017     -43.179      -6.163   3.82 0.429 0.600 0.252 0.432     335.834     270.000       6.907    9 
+    990000      198000.00      30.098     -40.456     -10.359   4.35 0.143 0.818 0.248 1.131     273.064     270.000       7.287    9 
+   1000000      200000.00      31.075     -28.979       2.097   5.02 0.214 0.800 0.242 0.497     281.932     270.000       6.839    9 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB010.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB010.stat
index 8f07f4f..1c804cb 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB010.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB010.stat
@@ -1,101 +1,101 @@
-         0           0.00      31.560     116.133     147.693  12.87 0.000   NaN   NaN 4.851     286.325     270.000      15.552   10 
-     10000        2000.00      27.764     -26.819       0.944   6.24 0.286 0.556 0.197 0.300     251.887     270.000       7.890   10 
-     20000        4000.00      28.962     -33.175      -4.213   4.93 0.214 0.750 0.201 0.763     262.762     270.000       7.118   10 
-     30000        6000.00      22.302     -40.191     -17.889   4.13 0.286 0.692 0.171 0.134     202.333     270.000       7.826   10 
-     40000        8000.00      20.731     -38.191     -17.459   3.86 0.286 0.600 0.223 0.430     188.086     270.000       7.113   10 
-     50000       10000.00      25.768     -35.729      -9.961   3.52 0.214 0.750 0.246 0.752     233.784     270.000       6.953   10 
-     60000       12000.00      28.949     -33.822      -4.873   3.34 0.143 0.857 0.256 0.830     262.639     270.000       7.111   10 
-     70000       14000.00      23.941     -31.961      -8.020   2.44 0.286 0.500 0.199 0.352     217.206     270.000       6.820   10 
-     80000       16000.00      28.935     -48.865     -19.930   2.67 0.429 0.571 0.266 0.281     262.514     270.000       6.635   10 
-     90000       18000.00      23.750     -43.016     -19.266   2.58 0.429 0.500 0.193 0.450     215.473     270.000       6.975   10 
-    100000       20000.00      25.319     -36.853     -11.534   2.70 0.500 0.364 0.174 0.549     229.707     270.000       7.051   10 
-    110000       22000.00      21.631     -46.832     -25.201   2.82 0.357 0.667 0.327 0.390     196.245     270.000       6.564   10 
-    120000       24000.00      27.750     -35.224      -7.475   2.34 0.357 0.545 0.219 0.195     251.760     270.000       6.740   10 
-    130000       26000.00      24.625     -39.756     -15.132   2.83 0.429 0.684 0.344 0.518     223.407     270.000       6.875   10 
-    140000       28000.00      30.766     -40.267      -9.501   3.24 0.286 0.600 0.259 0.617     279.125     270.000       7.113   10 
-    150000       30000.00      26.110     -42.110     -16.000   3.65 0.286 0.667 0.322 0.319     236.883     270.000       6.705   10 
-    160000       32000.00      25.375     -37.515     -12.140   2.66 0.143 0.846 0.280 1.125     230.214     270.000       6.869   10 
-    170000       34000.00      28.243     -40.890     -12.648   2.78 0.429 0.600 0.282 0.325     256.231     270.000       7.012   10 
-    180000       36000.00      27.979     -42.471     -14.492   3.26 0.357 0.688 0.335 0.285     253.840     270.000       6.633   10 
-    190000       38000.00      24.755     -41.702     -16.947   2.80 0.357 0.615 0.231 0.191     224.593     270.000       6.864   10 
-    200000       40000.00      25.235     -49.189     -23.954   3.19 0.357 0.737 0.366 0.453     228.943     270.000       6.466   10 
-    210000       42000.00      27.662     -47.530     -19.868   3.48 0.286 0.778 0.333 1.163     250.962     250.000       6.274   10 
-    220000       44000.00      28.402     -59.842     -31.440   3.14 0.429 0.667 0.376 0.597     257.681     250.000       6.111   10 
-    230000       46000.00      27.534     -49.467     -21.933   3.51 0.214 0.727 0.202 0.413     249.806     250.000       7.412   10 
-    240000       48000.00      21.762     -58.266     -36.503   2.37 0.357 0.667 0.276 0.391     197.439     250.000       6.575   10 
-    250000       50000.00      23.352     -56.160     -32.808   3.03 0.357 0.444 0.212 0.190     211.862     250.000       6.967   10 
-    260000       52000.00      22.759     -57.452     -34.693   2.80 0.357 0.688 0.358 0.143     206.481     250.000       6.344   10 
-    270000       54000.00      24.857     -47.289     -22.432   2.67 0.571 0.385 0.259 0.795     225.515     250.000       6.896   10 
-    280000       56000.00      26.213     -54.864     -28.651   2.84 0.286 0.692 0.301 0.292     237.816     250.000       6.299   10 
-    290000       58000.00      32.916     -47.645     -14.729   3.80 0.286 0.636 0.186 0.629     298.632     250.000       7.354   10 
-    300000       60000.00      25.956     -55.701     -29.745   3.30 0.429 0.600 0.242 0.229     235.485     250.000       6.713   10 
-    310000       62000.00      23.393     -53.167     -29.774   2.72 0.357 0.667 0.212 0.525     212.232     250.000       7.128   10 
-    320000       64000.00      25.726     -46.883     -21.157   2.90 0.357 0.545 0.231 0.405     233.398     250.000       7.204   10 
-    330000       66000.00      34.629     -48.694     -14.065   2.38 0.429 0.500 0.227 1.115     314.169     250.000       6.563   10 
-    340000       68000.00      24.346     -57.731     -33.386   3.36 0.429 0.600 0.197 1.385     220.876     250.000       7.231   10 
-    350000       70000.00      27.273     -42.921     -15.648   3.16 0.286 0.556 0.182 0.671     247.437     250.000       7.180   10 
-    360000       72000.00      23.632     -50.097     -26.465   2.82 0.429 0.647 0.254 0.322     214.401     250.000       6.666   10 
-    370000       74000.00      29.511     -54.363     -24.852   2.75 0.357 0.688 0.335 0.590     267.742     250.000       6.551   10 
-    380000       76000.00      22.901     -49.179     -26.277   2.69 0.286 0.556 0.202 0.643     207.772     250.000       6.996   10 
-    390000       78000.00      31.406     -53.477     -22.070   3.22 0.357 0.706 0.225 0.394     284.934     250.000       7.318   10 
-    400000       80000.00      24.381     -47.526     -23.144   2.66 0.429 0.400 0.186 0.534     221.200     250.000       7.259   10 
-    410000       82000.00      28.135     -47.607     -19.472   3.06 0.429 0.600 0.236 0.740     255.255     250.000       6.670   10 
-    420000       84000.00      29.396     -49.017     -19.622   3.09 0.286 0.733 0.264 0.426     266.692     250.000       6.888   10 
-    430000       86000.00      23.019     -53.522     -30.503   2.94 0.357 0.583 0.314 0.580     208.843     250.000       6.710   10 
-    440000       88000.00      30.783     -46.365     -15.582   2.96 0.357 0.545 0.190 0.762     279.280     250.000       6.996   10 
-    450000       90000.00      21.199     -46.481     -25.282   3.33 0.429 0.625 0.236 0.357     192.324     250.000       6.747   10 
-    460000       92000.00      23.460     -56.376     -32.916   2.82 0.357 0.737 0.275 0.974     212.845     250.000       6.444   10 
-    470000       94000.00      19.675     -56.393     -36.718   2.86 0.357 0.737 0.344 0.500     178.505     250.000       6.432   10 
-    480000       96000.00      32.313     -50.843     -18.530   3.00 0.357 0.706 0.326 0.753     293.160     250.000       6.515   10 
-    490000       98000.00      23.471     -52.169     -28.698   3.40 0.429 0.647 0.340 0.757     212.943     250.000       6.601   10 
-    500000      100000.00      26.766     -55.620     -28.854   2.76 0.500 0.588 0.294 0.295     242.838     250.000       6.190   10 
-    510000      102000.00      26.376     -38.820     -12.444   3.77 0.286 0.714 0.312 0.231     239.297     260.000       6.867   10 
-    520000      104000.00      30.967     -54.797     -23.830   2.54 0.286 0.733 0.221 0.479     280.953     260.000       6.847   10 
-    530000      106000.00      24.154     -46.011     -21.857   3.12 0.500 0.667 0.234 0.325     219.136     260.000       6.300   10 
-    540000      108000.00      25.017     -49.369     -24.352   2.68 0.429 0.538 0.287 0.502     226.964     260.000       6.695   10 
-    550000      110000.00      30.094     -39.548      -9.454   3.78 0.214 0.750 0.348 1.384     273.031     260.000       6.671   10 
-    560000      112000.00      21.652     -52.941     -31.289   2.75 0.286 0.667 0.258 0.625     196.441     260.000       6.329   10 
-    570000      114000.00      22.816     -46.512     -23.696   2.85 0.429 0.625 0.179 0.520     206.997     260.000       6.799   10 
-    580000      116000.00      19.199     -46.025     -26.825   3.51 0.214 0.700 0.200 0.360     174.186     260.000       7.720   10 
-    590000      118000.00      27.877     -50.174     -22.296   2.78 0.357 0.688 0.395 0.315     252.916     260.000       6.709   10 
-    600000      120000.00      25.610     -53.890     -28.280   2.73 0.500 0.650 0.341 0.323     232.345     260.000       6.463   10 
-    610000      122000.00      36.940     -45.836      -8.896   2.67 0.357 0.643 0.250 0.355     335.135     260.000       6.751   10 
-    620000      124000.00      27.855     -51.883     -24.028   3.00 0.429 0.600 0.215 1.264     252.716     260.000       6.657   10 
-    630000      126000.00      31.365     -50.127     -18.761   2.78 0.429 0.667 0.288 0.610     284.564     260.000       6.480   10 
-    640000      128000.00      30.631     -52.948     -22.317   2.76 0.500 0.611 0.283 0.224     277.905     260.000       6.570   10 
-    650000      130000.00      26.152     -48.001     -21.849   2.99 0.429 0.700 0.330 0.299     237.261     260.000       6.384   10 
-    660000      132000.00      31.633     -53.511     -21.877   3.14 0.357 0.750 0.330 0.748     286.994     260.000       6.255   10 
-    670000      134000.00      22.734     -50.482     -27.748   2.78 0.429 0.625 0.315 0.323     206.256     260.000       6.723   10 
-    680000      136000.00      24.228     -46.733     -22.504   2.87 0.214 0.750 0.220 0.726     219.810     260.000       6.935   10 
-    690000      138000.00      26.470     -51.087     -24.617   2.71 0.571 0.529 0.251 0.646     240.149     260.000       6.683   10 
-    700000      140000.00      32.506     -49.130     -16.625   2.50 0.429 0.625 0.250 1.328     294.909     260.000       6.578   10 
-    710000      142000.00      24.017     -43.177     -19.161   2.66 0.429 0.500 0.250 0.532     217.891     270.000       6.837   10 
-    720000      144000.00      23.990     -34.973     -10.983   3.58 0.143 0.867 0.276 0.368     217.648     270.000       6.681   10 
-    730000      146000.00      33.938     -36.125      -2.187   2.71 0.357 0.583 0.170 0.463     307.899     270.000       7.201   10 
-    740000      148000.00      35.664     -41.150      -5.486   3.97 0.357 0.545 0.169 0.976     323.560     270.000       8.267   10 
-    750000      150000.00      28.048     -43.133     -15.085   3.10 0.429 0.600 0.255 0.709     254.466     270.000       6.486   10 
-    760000      152000.00      30.578     -43.682     -13.104   2.94 0.286 0.733 0.294 0.247     277.417     270.000       6.739   10 
-    770000      154000.00      30.927     -40.764      -9.837   2.70 0.357 0.688 0.227 0.177     280.589     270.000       6.531   10 
-    780000      156000.00      34.461     -43.803      -9.342   2.86 0.286 0.733 0.276 0.161     312.644     270.000       6.523   10 
-    790000      158000.00      22.191     -43.069     -20.878   3.03 0.286 0.692 0.304 0.303     201.326     270.000       6.504   10 
-    800000      160000.00      23.252     -43.213     -19.961   3.20 0.429 0.571 0.237 0.377     210.958     270.000       6.863   10 
-    810000      162000.00      28.592     -36.434      -7.843   2.88 0.357 0.688 0.253 0.271     259.398     270.000       6.557   10 
-    820000      164000.00      28.240     -42.395     -14.155   3.01 0.357 0.688 0.310 0.653     256.207     270.000       6.456   10 
-    830000      166000.00      26.843     -40.864     -14.021   2.97 0.286 0.636 0.302 0.387     243.536     270.000       6.412   10 
-    840000      168000.00      29.421     -52.520     -23.099   2.97 0.214 0.769 0.336 0.725     266.921     270.000       6.367   10 
-    850000      170000.00      25.293     -37.661     -12.368   3.37 0.214 0.769 0.304 0.853     229.468     270.000       6.229   10 
-    860000      172000.00      26.313     -40.142     -13.829   2.21 0.429 0.625 0.293 0.645     238.728     270.000       6.752   10 
-    870000      174000.00      26.872     -36.944     -10.072   3.06 0.214 0.727 0.302 0.448     243.793     270.000       7.283   10 
-    880000      176000.00      27.805     -43.887     -16.082   2.64 0.357 0.500 0.177 0.673     252.263     270.000       7.029   10 
-    890000      178000.00      21.475     -41.359     -19.884   3.27 0.286 0.750 0.216 0.608     194.830     270.000       7.508   10 
-    900000      180000.00      26.197     -43.747     -17.550   3.27 0.214 0.786 0.308 0.452     237.675     270.000       6.602   10 
-    910000      182000.00      19.817     -55.409     -35.591   2.90 0.357 0.643 0.282 0.209     179.794     260.000       6.553   10 
-    920000      184000.00      28.176     -48.605     -20.429   3.25 0.286 0.733 0.333 0.320     255.628     260.000       6.591   10 
-    930000      186000.00      27.093     -46.012     -18.919   2.83 0.357 0.583 0.235 0.525     245.805     260.000       7.056   10 
-    940000      188000.00      26.397     -48.835     -22.437   2.86 0.429 0.455 0.190 0.649     239.490     260.000       7.088   10 
-    950000      190000.00      23.538     -52.561     -29.022   3.31 0.500 0.417 0.208 0.796     213.553     260.000       6.949   10 
-    960000      192000.00      24.450     -48.661     -24.211   2.83 0.429 0.647 0.241 0.738     221.823     260.000       6.864   10 
-    970000      194000.00      27.570     -54.195     -26.625   2.70 0.357 0.688 0.236 0.381     250.129     260.000       6.338   10 
-    980000      196000.00      24.411     -48.970     -24.559   2.91 0.214 0.727 0.215 0.574     221.466     260.000       6.954   10 
-    990000      198000.00      21.026     -35.431     -14.405   2.91 0.429 0.571 0.188 0.580     190.758     260.000       6.976   10 
-   1000000      200000.00      24.989     -52.640     -27.651   2.96 0.429 0.647 0.366 0.285     226.714     260.000       6.341   10 
+         0           0.00      35.066     115.074     150.140  12.87 0.000   NaN   NaN 4.850     318.139     300.000      15.552   10 
+     10000        2000.00      29.252     -18.800      10.451   4.36 0.071 0.900 0.364 0.506     265.387     300.000       7.237   10 
+     20000        4000.00      31.484     -26.689       4.796   4.37 0.214 0.727 0.231 0.576     285.642     300.000       6.946   10 
+     30000        6000.00      26.707     -29.409      -2.702   4.61 0.357 0.688 0.460 0.388     242.300     300.000       6.836   10 
+     40000        8000.00      24.872     -17.939       6.933   4.68 0.214 0.786 0.351 0.666     225.651     300.000       7.043   10 
+     50000       10000.00      27.859     -25.426       2.433   4.20 0.286 0.667 0.356 0.681     252.754     300.000       6.748   10 
+     60000       12000.00      35.171     -16.613      18.558   6.61 0.357 0.500 0.168 0.200     319.090     300.000       9.230   10 
+     70000       14000.00      27.347     -18.245       9.102   4.25 0.143 0.833 0.379 0.216     248.103     300.000       6.640   10 
+     80000       16000.00      30.664     -26.580       4.085   3.61 0.357 0.615 0.259 0.266     278.204     300.000       6.873   10 
+     90000       18000.00      26.841     -28.573      -1.733   4.70 0.357 0.500 0.323 0.387     243.513     300.000       6.789   10 
+    100000       20000.00      29.422     -13.743      15.679   6.83 0.143 0.667 0.159 0.353     266.929     300.000       8.467   10 
+    110000       22000.00      22.364     -21.478       0.887   7.05 0.071 0.800 0.191 0.219     202.900     300.000       9.097   10 
+    120000       24000.00      31.625     -25.910       5.715   4.06 0.286 0.667 0.261 0.262     286.917     300.000       7.430   10 
+    130000       26000.00      23.196     -17.848       5.348   3.05 0.286 0.714 0.260 0.596     210.446     300.000       6.878   10 
+    140000       28000.00      33.056     -18.381      14.676   4.59 0.143 0.714 0.195 0.443     299.904     300.000       8.349   10 
+    150000       30000.00      28.419     -28.443      -0.025   3.01 0.286 0.692 0.308 0.208     257.829     300.000       6.819   10 
+    160000       32000.00      30.690     -29.218       1.472   6.58 0.143 0.818 0.190 0.902     278.436     300.000       8.792   10 
+    170000       34000.00      31.262     -26.085       5.177   3.03 0.214 0.625 0.250 0.376     283.625     300.000       6.873   10 
+    180000       36000.00      30.177     -33.703      -3.527   3.20 0.357 0.500 0.259 0.265     273.778     300.000       7.118   10 
+    190000       38000.00      26.236     -21.834       4.402   5.26 0.214 0.700 0.209 0.552     238.024     300.000       8.504   10 
+    200000       40000.00      25.156     -20.985       4.172   2.88 0.214 0.727 0.364 0.257     228.230     300.000       6.995   10 
+    210000       42000.00      36.863     -27.374       9.489   3.25 0.357 0.688 0.312 0.525     334.437     300.000       6.483   10 
+    220000       44000.00      33.578     -24.199       9.379   2.89 0.286 0.556 0.182 0.584     304.638     300.000       7.105   10 
+    230000       46000.00      31.195     -32.236      -1.041   2.78 0.286 0.636 0.223 0.207     283.015     300.000       7.189   10 
+    240000       48000.00      27.548     -29.401      -1.853   2.75 0.357 0.545 0.244 0.809     249.928     300.000       7.233   10 
+    250000       50000.00      27.846     -19.842       8.004   3.93 0.214 0.750 0.318 0.382     252.631     300.000       6.486   10 
+    260000       52000.00      28.046     -25.960       2.087   3.48 0.286 0.636 0.227 0.281     254.451     300.000       6.851   10 
+    270000       54000.00      28.385     -27.963       0.422   2.76 0.286 0.636 0.277 0.163     257.524     300.000       6.849   10 
+    280000       56000.00      31.565     -31.426       0.139   5.88 0.071 0.909 0.355 0.301     286.373     300.000       7.477   10 
+    290000       58000.00      38.391     -14.420      23.971   6.07 0.214 0.500 0.159 0.374     348.303     300.000       9.108   10 
+    300000       60000.00      28.934     -27.114       1.820   2.88 0.357 0.615 0.241 0.197     262.505     300.000       6.863   10 
+    310000       62000.00      31.022     -20.413      10.608   3.17 0.286 0.636 0.211 0.672     281.443     300.000       6.659   10 
+    320000       64000.00      31.754     -14.884      16.870   6.98 0.286 0.200 0.164 0.610     288.087     300.000      10.234   10 
+    330000       66000.00      39.961     -19.389      20.572   3.11 0.214 0.667 0.212 1.205     362.547     300.000       7.218   10 
+    340000       68000.00      24.596     -25.977      -1.381   3.51 0.214 0.727 0.260 1.844     223.145     300.000       7.467   10 
+    350000       70000.00      35.379     -22.910      12.469   4.10 0.286 0.556 0.354 0.233     320.975     300.000       6.555   10 
+    360000       72000.00      30.644     -26.595       4.049   3.70 0.214 0.824 0.332 0.561     278.018     300.000       6.395   10 
+    370000       74000.00      35.565     -26.228       9.337   3.97 0.214 0.700 0.177 0.490     322.660     300.000       7.218   10 
+    380000       76000.00      28.720     -12.213      16.507   3.74 0.214 0.667 0.197 0.364     260.566     300.000       8.206   10 
+    390000       78000.00      38.090     -30.711       7.379   2.91 0.429 0.571 0.295 0.297     345.571     300.000       6.634   10 
+    400000       80000.00      31.234     -26.484       4.749   3.53 0.214 0.769 0.231 0.473     283.368     300.000       7.111   10 
+    410000       82000.00      31.142     -34.852      -3.710   3.12 0.286 0.692 0.357 0.709     282.538     290.000       6.701   10 
+    420000       84000.00      35.861     -41.821      -5.960   3.54 0.429 0.647 0.345 0.280     325.353     290.000       6.248   10 
+    430000       86000.00      26.552     -23.402       3.150   2.56 0.286 0.636 0.306 0.651     240.893     290.000       6.627   10 
+    440000       88000.00      34.340     -20.949      13.391   3.22 0.143 0.667 0.265 0.875     311.551     290.000       6.999   10 
+    450000       90000.00      26.076     -31.466      -5.390   2.91 0.286 0.556 0.232 0.503     236.573     290.000       7.409   10 
+    460000       92000.00      25.022     -36.459     -11.437   2.61 0.357 0.643 0.250 0.788     227.016     290.000       6.706   10 
+    470000       94000.00      24.167     -33.767      -9.600   2.76 0.357 0.643 0.299 0.558     219.253     290.000       6.642   10 
+    480000       96000.00      38.587     -27.618      10.969   3.68 0.214 0.750 0.208 0.274     350.078     290.000       7.148   10 
+    490000       98000.00      25.881     -34.579      -8.699   2.70 0.357 0.444 0.177 0.463     234.802     290.000       7.171   10 
+    500000      100000.00      32.001     -27.769       4.232   2.97 0.357 0.667 0.258 0.293     290.330     290.000       6.800   10 
+    510000      102000.00      29.230     -32.355      -3.125   2.42 0.357 0.583 0.197 0.209     265.189     290.000       7.202   10 
+    520000      104000.00      31.216     -28.071       3.145   4.63 0.143 0.857 0.221 0.369     283.210     290.000       7.046   10 
+    530000      106000.00      26.520     -20.621       5.899   4.15 0.286 0.429 0.162 0.607     240.604     290.000       8.099   10 
+    540000      108000.00      27.117     -19.329       7.788   5.23 0.357 0.583 0.174 0.446     246.018     290.000       8.593   10 
+    550000      110000.00      33.007     -30.334       2.674   2.54 0.500 0.533 0.333 0.281     299.459     290.000       6.687   10 
+    560000      112000.00      24.203     -32.409      -8.205   3.66 0.357 0.643 0.289 0.287     219.586     290.000       6.650   10 
+    570000      114000.00      28.052     -39.736     -11.684   3.71 0.286 0.750 0.369 0.609     254.501     290.000       6.445   10 
+    580000      116000.00      22.506     -33.190     -10.685   2.32 0.214 0.727 0.298 0.378     204.184     290.000       6.746   10 
+    590000      118000.00      32.322     -31.519       0.803   2.66 0.286 0.667 0.333 0.602     293.245     290.000       6.954   10 
+    600000      120000.00      27.526     -31.470      -3.944   3.12 0.429 0.500 0.223 0.177     249.731     290.000       7.453   10 
+    610000      122000.00      44.807     -26.239      18.568   6.64 0.214 0.769 0.280 0.704     406.511     310.000       6.869   10 
+    620000      124000.00      34.589     -22.769      11.820   3.48 0.143 0.846 0.318 1.154     313.812     310.000       6.813   10 
+    630000      126000.00      35.390     -20.063      15.327   2.87 0.286 0.500 0.324 0.528     321.075     310.000       6.848   10 
+    640000      128000.00      35.392     -15.272      20.120   4.06 0.286 0.667 0.261 0.574     321.094     310.000       6.940   10 
+    650000      130000.00      33.351     -17.298      16.053   4.73 0.357 0.500 0.186 0.795     302.573     310.000       7.564   10 
+    660000      132000.00      36.318     -20.354      15.964   5.05 0.286 0.667 0.231 0.764     329.497     310.000       6.821   10 
+    670000      134000.00      25.965     -17.999       7.966   6.11 0.071 0.900 0.205 0.647     235.564     310.000       8.046   10 
+    680000      136000.00      31.199     -16.349      14.850   3.56 0.214 0.625 0.210 0.844     283.057     310.000       8.171   10 
+    690000      138000.00      32.795     -16.265      16.530   5.67 0.357 0.375 0.170 0.457     297.533     310.000       9.139   10 
+    700000      140000.00      35.997     -12.826      23.171   6.47 0.071 0.800 0.218 0.726     326.585     310.000       8.280   10 
+    710000      142000.00      32.289      -3.412      28.877   3.35 0.429 0.455 0.393 0.183     292.939     330.000       7.406   10 
+    720000      144000.00      29.293     -10.000      19.293   5.86 0.000 1.000 0.182 0.143     265.759     330.000       8.100   10 
+    730000      146000.00      41.505      -7.438      34.067   5.72 0.071 0.857 0.182 0.404     376.551     330.000       9.893   10 
+    740000      148000.00      45.113     -18.579      26.534   3.82 0.214 0.700 0.268 0.324     409.289     330.000       7.240   10 
+    750000      150000.00      33.562     -18.939      14.623   3.73 0.286 0.667 0.269 0.611     304.495     330.000       6.438   10 
+    760000      152000.00      34.486     -13.678      20.808   3.96 0.214 0.625 0.216 0.274     312.877     330.000       7.862   10 
+    770000      154000.00      36.805     -11.850      24.955   4.60 0.000 1.000 0.205 0.209     333.916     330.000       7.598   10 
+    780000      156000.00      39.113      -1.730      37.383   7.03 0.214 0.625 0.159 0.447     354.849     330.000      10.244   10 
+    790000      158000.00      27.404      -4.834      22.571   4.49 0.214 0.500 0.159 1.025     248.627     330.000       8.681   10 
+    800000      160000.00      31.564      -7.537      24.027   5.94 0.214 0.727 0.252 0.389     286.362     330.000       7.593   10 
+    810000      162000.00      35.871      11.467      47.338   7.24 0.000 1.000 0.212 0.259     325.442     330.000       8.830   10 
+    820000      164000.00      33.626     -19.299      14.327   3.78 0.286 0.667 0.220 0.482     305.076     330.000       7.004   10 
+    830000      166000.00      31.554      -1.394      30.159   7.10 0.286 0.429 0.175 0.221     286.272     330.000      10.101   10 
+    840000      168000.00      34.566     -17.769      16.797   3.31 0.143 0.818 0.236 0.292     313.603     330.000       7.052   10 
+    850000      170000.00      25.953     -18.269       7.685   4.01 0.143 0.714 0.279 0.864     235.463     330.000       7.113   10 
+    860000      172000.00      32.023      -7.071      24.952   4.11 0.214 0.824 0.310 0.667     290.528     330.000       6.711   10 
+    870000      174000.00      34.643      -5.500      29.143   6.07 0.214 0.500 0.265 0.217     314.297     330.000       8.816   10 
+    880000      176000.00      31.253       8.744      39.997   5.60 0.071 0.833 0.402 0.700     283.544     330.000       6.826   10 
+    890000      178000.00      26.009      -3.834      22.174   5.19 0.071 0.889 0.278 0.497     235.964     330.000       6.744   10 
+    900000      180000.00      31.168      -9.926      21.242   4.94 0.143 0.667 0.159 0.910     282.771     330.000       9.371   10 
+    910000      182000.00      26.542     -12.676      13.866   3.36 0.214 0.700 0.250 0.665     240.805     320.000       6.523   10 
+    920000      184000.00      34.069      -7.905      26.164   4.99 0.143 0.833 0.197 0.266     309.091     320.000       7.531   10 
+    930000      186000.00      31.798     -24.992       6.806   2.60 0.500 0.533 0.236 0.479     288.491     320.000       6.848   10 
+    940000      188000.00      33.369     -22.376      10.993   3.74 0.214 0.800 0.376 0.947     302.744     320.000       6.657   10 
+    950000      190000.00      27.558      -8.933      18.625   4.40 0.071 0.833 0.227 0.927     250.018     320.000       7.701   10 
+    960000      192000.00      32.366      -4.458      27.908   4.71 0.214 0.571 0.221 0.504     293.640     320.000       7.716   10 
+    970000      194000.00      34.634     -14.470      20.164   5.14 0.214 0.800 0.209 0.541     314.215     320.000       8.533   10 
+    980000      196000.00      31.223     -10.067      21.156   5.44 0.143 0.833 0.269 0.470     283.271     320.000       7.438   10 
+    990000      198000.00      31.192     -10.934      20.258   2.99 0.286 0.500 0.244 0.178     282.991     320.000       6.922   10 
+   1000000      200000.00      30.010     -15.480      14.529   4.36 0.000 1.000 0.273 0.500     272.265     320.000       8.050   10 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB011.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB011.stat
index 197f0e8..ee2f439 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB011.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB011.stat
@@ -1,101 +1,101 @@
-         0           0.00      32.976     116.133     149.109  12.87 0.000   NaN   NaN 4.851     299.179     270.000      15.552   11 
-     10000        2000.00      29.593     -35.661      -6.068   4.55 0.286 0.692 0.255 0.487     268.483     270.000       6.610   11 
-     20000        4000.00      27.906     -36.570      -8.664   4.27 0.286 0.600 0.345 0.330     253.175     270.000       6.978   11 
-     30000        6000.00      29.238     -30.024      -0.786   4.67 0.214 0.750 0.330 0.733     265.264     270.000       6.826   11 
-     40000        8000.00      35.447     -35.109       0.338   5.46 0.214 0.727 0.231 0.675     321.596     270.000       7.722   11 
-     50000       10000.00      24.613     -37.259     -12.646   5.24 0.286 0.636 0.161 0.356     223.301     270.000       8.509   11 
-     60000       12000.00      29.936     -36.086      -6.151   6.53 0.286 0.667 0.246 0.294     271.593     270.000       7.700   11 
-     70000       14000.00      26.713     -34.885      -8.172   3.49 0.286 0.500 0.188 0.514     242.354     270.000       7.748   11 
-     80000       16000.00      27.386     -38.666     -11.279   3.02 0.143 0.846 0.329 0.449     248.461     270.000       6.431   11 
-     90000       18000.00      29.584     -44.233     -14.648   2.73 0.429 0.647 0.217 0.570     268.406     270.000       6.722   11 
-    100000       20000.00      27.146     -48.723     -21.577   3.13 0.357 0.737 0.299 0.323     246.281     270.000       6.200   11 
-    110000       22000.00      24.605     -52.041     -27.436   3.35 0.357 0.643 0.256 0.581     223.231     250.000       7.062   11 
-    120000       24000.00      21.285     -44.315     -23.031   2.77 0.357 0.500 0.223 0.581     193.107     250.000       7.024   11 
-    130000       26000.00      25.135     -48.479     -23.344   3.23 0.357 0.706 0.305 0.584     228.036     250.000       6.447   11 
-    140000       28000.00      27.253     -61.023     -33.770   3.36 0.286 0.692 0.360 0.648     247.254     250.000       6.418   11 
-    150000       30000.00      20.204     -56.224     -36.020   3.14 0.429 0.684 0.352 0.325     183.297     250.000       6.356   11 
-    160000       32000.00      22.630     -62.725     -40.095   3.43 0.429 0.714 0.323 0.313     205.315     250.000       6.110   11 
-    170000       34000.00      23.347     -54.578     -31.231   3.21 0.357 0.688 0.403 0.231     211.815     250.000       6.387   11 
-    180000       36000.00      24.229     -51.823     -27.595   3.54 0.357 0.706 0.299 0.575     219.816     250.000       6.044   11 
-    190000       38000.00      22.594     -51.474     -28.880   3.11 0.500 0.417 0.167 0.234     204.987     250.000       6.991   11 
-    200000       40000.00      19.571     -63.883     -44.312   2.36 0.429 0.571 0.247 0.705     177.557     250.000       6.654   11 
-    210000       42000.00      25.927     -50.610     -24.682   3.49 0.429 0.571 0.162 0.173     235.228     250.000       7.317   11 
-    220000       44000.00      23.020     -54.992     -31.972   3.51 0.357 0.706 0.329 0.435     208.846     250.000       6.268   11 
-    230000       46000.00      30.175     -54.705     -24.529   3.57 0.357 0.688 0.389 0.521     273.767     250.000       6.378   11 
-    240000       48000.00      31.251     -57.245     -25.994   2.77 0.357 0.583 0.273 0.222     283.526     250.000       6.389   11 
-    250000       50000.00      27.213     -47.781     -20.568   2.72 0.357 0.545 0.236 0.867     246.887     250.000       6.744   11 
-    260000       52000.00      26.886     -53.686     -26.800   3.11 0.429 0.571 0.295 0.558     243.923     250.000       6.541   11 
-    270000       54000.00      27.908     -50.663     -22.755   2.57 0.357 0.615 0.203 0.448     253.195     250.000       6.680   11 
-    280000       56000.00      28.483     -57.998     -29.514   2.94 0.286 0.733 0.294 0.456     258.416     250.000       6.400   11 
-    290000       58000.00      23.610     -55.360     -31.750   2.94 0.357 0.643 0.292 0.346     214.199     250.000       6.368   11 
-    300000       60000.00      23.067     -50.167     -27.099   2.84 0.429 0.647 0.307 0.232     209.277     250.000       6.634   11 
-    310000       62000.00      32.688     -53.795     -21.107   2.69 0.357 0.615 0.234 0.281     296.562     250.000       6.847   11 
-    320000       64000.00      28.139     -56.917     -28.778   3.08 0.429 0.571 0.240 0.187     255.293     250.000       7.025   11 
-    330000       66000.00      24.002     -59.524     -35.523   2.79 0.571 0.429 0.253 0.505     217.757     250.000       6.593   11 
-    340000       68000.00      34.572     -49.051     -14.479   2.38 0.500 0.500 0.205 0.631     313.654     250.000       6.699   11 
-    350000       70000.00      25.585     -62.084     -36.499   3.04 0.286 0.692 0.259 0.248     232.119     250.000       6.914   11 
-    360000       72000.00      27.330     -57.527     -30.197   2.75 0.357 0.500 0.245 0.776     247.955     250.000       6.925   11 
-    370000       74000.00      24.604     -50.053     -25.449   2.90 0.429 0.571 0.263 1.587     223.222     250.000       6.604   11 
-    380000       76000.00      28.113     -50.179     -22.067   2.45 0.357 0.643 0.295 0.542     255.053     250.000       6.561   11 
-    390000       78000.00      19.315     -52.437     -33.122   2.90 0.357 0.583 0.273 0.272     175.235     250.000       6.490   11 
-    400000       80000.00      29.049     -49.587     -20.539   2.49 0.429 0.538 0.252 0.275     263.545     250.000       6.782   11 
-    410000       82000.00      25.239     -50.079     -24.840   2.83 0.286 0.750 0.338 0.327     228.977     260.000       6.332   11 
-    420000       84000.00      21.993     -46.814     -24.820   2.93 0.357 0.583 0.220 0.515     199.535     260.000       6.568   11 
-    430000       86000.00      27.602     -41.328     -13.726   3.11 0.143 0.778 0.227 0.289     250.418     260.000       6.942   11 
-    440000       88000.00      22.722     -43.123     -20.401   3.56 0.286 0.556 0.182 0.428     206.148     260.000       7.799   11 
-    450000       90000.00      25.912     -49.837     -23.925   2.97 0.357 0.706 0.358 0.468     235.086     260.000       6.387   11 
-    460000       92000.00      32.660     -51.378     -18.718   2.72 0.429 0.684 0.330 0.180     296.307     260.000       6.714   11 
-    470000       94000.00      28.256     -52.399     -24.143   2.77 0.286 0.733 0.282 0.634     256.353     260.000       6.490   11 
-    480000       96000.00      27.545     -53.192     -25.647   2.72 0.357 0.667 0.245 0.350     249.903     260.000       6.806   11 
-    490000       98000.00      25.181     -48.802     -23.621   2.69 0.429 0.625 0.230 0.588     228.459     260.000       6.664   11 
-    500000      100000.00      29.251     -46.092     -16.841   3.28 0.429 0.600 0.300 0.635     265.378     260.000       6.734   11 
-    510000      102000.00      35.764     -50.062     -14.298   2.66 0.429 0.600 0.258 0.478     324.472     270.000       6.522   11 
-    520000      104000.00      28.691     -45.752     -17.060   2.70 0.286 0.636 0.273 0.588     260.303     270.000       6.871   11 
-    530000      106000.00      29.499     -33.251      -3.751   3.12 0.286 0.667 0.375 0.262     267.634     270.000       6.687   11 
-    540000      108000.00      23.883     -42.637     -18.754   3.80 0.357 0.500 0.182 0.412     216.683     270.000       7.635   11 
-    550000      110000.00      28.128     -43.653     -15.526   2.97 0.429 0.667 0.293 0.588     255.187     270.000       6.419   11 
-    560000      112000.00      29.913     -40.925     -11.011   2.66 0.214 0.700 0.223 0.612     271.390     270.000       6.976   11 
-    570000      114000.00      28.580     -46.840     -18.260   2.87 0.214 0.800 0.294 0.169     259.291     270.000       6.189   11 
-    580000      116000.00      26.942     -48.476     -21.533   2.63 0.357 0.667 0.252 0.527     244.436     270.000       6.573   11 
-    590000      118000.00      29.736     -37.727      -7.991   2.64 0.214 0.750 0.227 0.960     269.779     270.000       6.807   11 
-    600000      120000.00      26.073     -39.424     -13.351   3.04 0.357 0.375 0.210 0.505     236.549     270.000       6.767   11 
-    610000      122000.00      26.721     -45.378     -18.657   2.65 0.143 0.846 0.308 0.767     242.423     270.000       6.692   11 
-    620000      124000.00      26.220     -37.970     -11.750   2.55 0.357 0.500 0.191 0.305     237.882     270.000       7.078   11 
-    630000      126000.00      18.404     -42.922     -24.518   2.52 0.429 0.625 0.276 0.148     166.970     270.000       6.521   11 
-    640000      128000.00      31.398     -43.349     -11.951   2.87 0.286 0.667 0.235 0.242     284.857     270.000       6.604   11 
-    650000      130000.00      31.279     -44.229     -12.950   3.26 0.286 0.667 0.292 0.799     283.783     270.000       6.450   11 
-    660000      132000.00      21.384     -39.127     -17.743   2.73 0.214 0.700 0.318 0.323     194.009     270.000       6.623   11 
-    670000      134000.00      32.622     -37.529      -4.906   2.97 0.143 0.833 0.299 0.827     295.967     270.000       6.600   11 
-    680000      136000.00      29.802     -38.961      -9.159   2.67 0.357 0.500 0.200 0.248     270.379     270.000       6.996   11 
-    690000      138000.00      23.324     -49.138     -25.814   3.04 0.429 0.647 0.332 0.669     211.604     270.000       6.309   11 
-    700000      140000.00      34.519     -47.559     -13.040   2.67 0.429 0.538 0.224 0.641     313.174     270.000       6.870   11 
-    710000      142000.00      20.977     -47.657     -26.680   2.76 0.429 0.538 0.234 0.934     190.318     260.000       6.510   11 
-    720000      144000.00      30.272     -53.872     -23.600   2.57 0.357 0.688 0.253 0.697     274.647     260.000       6.740   11 
-    730000      146000.00      20.770     -44.523     -23.753   3.31 0.286 0.600 0.159 0.600     188.436     260.000       7.392   11 
-    740000      148000.00      33.297     -50.525     -17.229   3.01 0.286 0.556 0.207 0.281     302.085     260.000       7.095   11 
-    750000      150000.00      24.977     -52.346     -27.369   2.75 0.500 0.533 0.206 0.287     226.604     260.000       6.925   11 
-    760000      152000.00      23.442     -45.271     -21.829   2.98 0.500 0.533 0.167 0.723     212.679     260.000       7.190   11 
-    770000      154000.00      22.755     -45.575     -22.820   2.91 0.429 0.600 0.206 0.894     206.448     260.000       7.194   11 
-    780000      156000.00      25.063     -50.598     -25.535   2.90 0.500 0.417 0.193 0.531     227.382     260.000       7.107   11 
-    790000      158000.00      23.539     -49.083     -25.544   2.72 0.429 0.500 0.223 0.473     213.557     260.000       6.345   11 
-    800000      160000.00      24.436     -42.195     -17.759   2.75 0.357 0.545 0.165 0.546     221.698     260.000       7.250   11 
-    810000      162000.00      23.776     -42.454     -18.678   2.81 0.286 0.600 0.236 0.678     215.712     260.000       7.371   11 
-    820000      164000.00      24.243     -54.932     -30.689   2.90 0.500 0.650 0.318 0.288     219.945     260.000       6.237   11 
-    830000      166000.00      26.472     -51.568     -25.096   3.02 0.500 0.462 0.185 0.647     240.170     260.000       6.844   11 
-    840000      168000.00      32.047     -36.691      -4.644   3.13 0.286 0.636 0.190 0.465     290.750     260.000       7.392   11 
-    850000      170000.00      21.837     -43.715     -21.878   2.91 0.500 0.562 0.222 0.635     198.121     260.000       7.116   11 
-    860000      172000.00      24.312     -40.148     -15.836   2.94 0.429 0.571 0.266 0.364     220.571     260.000       6.759   11 
-    870000      174000.00      24.929     -45.499     -20.570   3.08 0.286 0.600 0.214 0.447     226.170     260.000       7.230   11 
-    880000      176000.00      30.662     -41.829     -11.167   2.80 0.357 0.643 0.338 0.367     278.185     260.000       6.930   11 
-    890000      178000.00      29.832     -45.262     -15.430   3.13 0.286 0.667 0.242 0.654     270.650     260.000       6.905   11 
-    900000      180000.00      24.892     -43.467     -18.575   2.78 0.429 0.571 0.234 0.438     225.836     260.000       6.929   11 
-    910000      182000.00      29.812     -23.321       6.491   2.82 0.429 0.600 0.270 0.498     270.473     300.000       6.774   11 
-    920000      184000.00      31.655     -34.645      -2.990   4.45 0.357 0.615 0.371 0.627     287.188     300.000       6.654   11 
-    930000      186000.00      30.735     -24.225       6.510   2.86 0.429 0.625 0.341 0.452     278.842     300.000       6.776   11 
-    940000      188000.00      32.318     -26.709       5.609   3.62 0.214 0.700 0.214 0.396     293.203     300.000       8.022   11 
-    950000      190000.00      37.930     -32.388       5.542   2.63 0.286 0.636 0.190 1.667     344.121     300.000       7.277   11 
-    960000      192000.00      26.474     -27.520      -1.047   2.84 0.357 0.500 0.200 0.384     240.181     300.000       7.284   11 
-    970000      194000.00      35.458     -17.987      17.470   3.09 0.214 0.571 0.305 1.002     321.689     300.000       6.876   11 
-    980000      196000.00      28.704     -27.326       1.378   3.10 0.286 0.636 0.285 0.534     260.414     300.000       6.456   11 
-    990000      198000.00      26.647     -28.174      -1.527   3.57 0.214 0.667 0.237 1.251     241.752     300.000       7.174   11 
-   1000000      200000.00      26.134     -21.137       4.997   3.92 0.214 0.700 0.259 0.750     237.102     300.000       7.144   11 
+         0           0.00      36.640     115.074     151.715  12.87 0.000   NaN   NaN 4.850     332.421     300.000      15.552   11 
+     10000        2000.00      32.655     -24.524       8.131   5.16 0.143 0.818 0.376 0.242     296.260     300.000       6.816   11 
+     20000        4000.00      30.741     -16.386      14.355   3.95 0.214 0.786 0.331 0.477     278.895     300.000       6.742   11 
+     30000        6000.00      32.443     -13.772      18.671   6.13 0.214 0.750 0.208 0.548     294.338     300.000       8.641   11 
+     40000        8000.00      39.729     -19.375      20.354   4.72 0.214 0.625 0.159 0.479     360.441     300.000       8.519   11 
+     50000       10000.00      28.395     -10.657      17.738   7.08 0.286 0.556 0.157 0.310     257.618     300.000       9.875   11 
+     60000       12000.00      33.200     -24.135       9.065   3.34 0.143 0.800 0.195 0.426     301.206     300.000       7.698   11 
+     70000       14000.00      33.687     -13.893      19.793   5.52 0.143 0.778 0.197 0.898     305.623     300.000       8.202   11 
+     80000       16000.00      26.982     -15.999      10.983   3.64 0.214 0.500 0.280 0.460     244.791     300.000       7.473   11 
+     90000       18000.00      30.774     -13.882      16.891   3.64 0.214 0.667 0.187 0.560     279.194     300.000       7.861   11 
+    100000       20000.00      30.445     -20.385      10.060   2.72 0.286 0.600 0.286 0.507     276.213     300.000       7.296   11 
+    110000       22000.00      30.625     -21.493       9.131   2.98 0.286 0.556 0.162 0.444     277.843     310.000       7.383   11 
+    120000       24000.00      28.824     -17.149      11.675   5.77 0.214 0.571 0.201 0.477     261.505     310.000       7.876   11 
+    130000       26000.00      32.526     -20.525      12.001   3.89 0.214 0.769 0.224 0.606     295.089     310.000       7.059   11 
+    140000       28000.00      34.668     -24.282      10.386   3.55 0.143 0.818 0.289 0.412     314.523     310.000       6.791   11 
+    150000       30000.00      27.286     -12.195      15.091   4.33 0.286 0.667 0.322 0.474     247.554     310.000       7.173   11 
+    160000       32000.00      28.926     -11.138      17.788   5.36 0.214 0.571 0.234 0.438     262.434     310.000       7.962   11 
+    170000       34000.00      29.085     -17.696      11.390   5.08 0.429 0.500 0.223 0.701     263.878     310.000       7.427   11 
+    180000       36000.00      29.915     -17.735      12.179   3.04 0.143 0.750 0.324 0.693     271.403     310.000       6.980   11 
+    190000       38000.00      29.068     -24.467       4.601   3.07 0.214 0.769 0.227 0.735     263.717     310.000       7.069   11 
+    200000       40000.00      26.276     -22.986       3.290   3.36 0.214 0.700 0.186 0.962     238.393     310.000       6.997   11 
+    210000       42000.00      30.529     -17.835      12.694   6.45 0.143 0.714 0.188 0.260     276.974     310.000       8.880   11 
+    220000       44000.00      25.272     -11.985      13.287   4.79 0.286 0.600 0.223 0.177     229.282     310.000       7.151   11 
+    230000       46000.00      35.975     -14.668      21.308   4.10 0.214 0.727 0.248 0.348     326.387     310.000       7.078   11 
+    240000       48000.00      36.941     -27.064       9.877   3.41 0.143 0.867 0.312 0.523     335.150     310.000       6.767   11 
+    250000       50000.00      35.544     -18.152      17.392   5.90 0.214 0.500 0.167 1.044     322.478     310.000       9.147   11 
+    260000       52000.00      32.566     -24.231       8.335   6.48 0.286 0.714 0.253 1.316     295.453     310.000       5.939   11 
+    270000       54000.00      32.780     -28.129       4.652   3.42 0.286 0.600 0.223 0.671     297.401     310.000       6.906   11 
+    280000       56000.00      30.662     -27.112       3.550   2.43 0.429 0.571 0.224 0.448     278.179     310.000       6.743   11 
+    290000       58000.00      29.560     -19.466      10.093   4.53 0.286 0.556 0.182 0.680     268.180     310.000       8.585   11 
+    300000       60000.00      26.376     -25.436       0.940   3.67 0.143 0.800 0.250 0.349     239.294     310.000       6.917   11 
+    310000       62000.00      41.347     -29.712      11.635   3.09 0.357 0.583 0.284 0.343     375.121     290.000       6.877   11 
+    320000       64000.00      35.686     -29.307       6.380   3.26 0.286 0.692 0.269 0.267     323.765     290.000       6.817   11 
+    330000       66000.00      26.442     -28.963      -2.520   3.68 0.286 0.556 0.212 1.130     239.898     290.000       7.882   11 
+    340000       68000.00      36.970     -33.217       3.753   3.55 0.286 0.667 0.417 1.006     335.410     290.000       6.527   11 
+    350000       70000.00      26.833     -27.916      -1.083   3.61 0.357 0.583 0.189 0.447     243.445     290.000       7.268   11 
+    360000       72000.00      28.888     -39.168     -10.280   2.82 0.357 0.722 0.333 0.268     262.083     290.000       6.322   11 
+    370000       74000.00      30.049     -27.341       2.708   2.75 0.286 0.636 0.285 1.021     272.624     290.000       6.729   11 
+    380000       76000.00      29.801     -33.933      -4.132   3.45 0.357 0.722 0.391 0.754     270.373     290.000       6.157   11 
+    390000       78000.00      20.275     -21.993      -1.718   4.20 0.214 0.571 0.273 0.199     183.944     290.000       7.140   11 
+    400000       80000.00      32.051     -23.951       8.100   4.64 0.214 0.750 0.280 0.391     290.784     290.000       6.824   11 
+    410000       82000.00      32.192     -12.733      19.459   3.08 0.286 0.692 0.297 0.620     292.065     320.000       6.891   11 
+    420000       84000.00      26.837     -18.751       8.085   3.79 0.143 0.750 0.273 0.634     243.475     320.000       7.106   11 
+    430000       86000.00      34.205     -11.335      22.870   3.26 0.214 0.727 0.264 0.319     310.322     320.000       7.188   11 
+    440000       88000.00      27.623     -17.720       9.902   3.56 0.214 0.667 0.187 0.408     250.607     320.000       7.146   11 
+    450000       90000.00      33.731     -18.366      15.365   4.86 0.071 0.875 0.284 0.361     306.024     320.000       7.014   11 
+    460000       92000.00      38.336     -24.802      13.534   4.12 0.071 0.923 0.374 0.459     347.804     320.000       6.639   11 
+    470000       94000.00      34.969     -10.432      24.536   3.44 0.214 0.750 0.258 0.560     317.253     320.000       6.944   11 
+    480000       96000.00      32.968       4.266      37.235   5.74 0.071 0.875 0.256 0.680     299.107     320.000       7.851   11 
+    490000       98000.00      30.661     -22.693       7.968   4.89 0.286 0.600 0.168 0.655     278.172     320.000       8.571   11 
+    500000      100000.00      35.969      -8.402      27.568   6.27 0.214 0.667 0.172 0.704     326.333     320.000       8.082   11 
+    510000      102000.00      34.419     -30.910       3.509   2.90 0.429 0.455 0.244 1.102     312.266     300.000       6.954   11 
+    520000      104000.00      29.417     -24.908       4.509   4.20 0.286 0.636 0.322 0.447     266.885     300.000       7.186   11 
+    530000      106000.00      31.640     -27.320       4.321   3.30 0.214 0.800 0.409 0.322     287.058     300.000       6.460   11 
+    540000      108000.00      29.940     -26.376       3.564   4.45 0.143 0.889 0.409 0.322     271.630     300.000       6.582   11 
+    550000      110000.00      30.758     -20.327      10.430   2.74 0.143 0.778 0.212 0.212     279.049     300.000       7.059   11 
+    560000      112000.00      29.397     -30.551      -1.154   3.07 0.214 0.769 0.395 0.651     266.709     300.000       6.486   11 
+    570000      114000.00      28.880     -28.835       0.044   5.41 0.143 0.818 0.281 0.357     262.010     300.000       7.001   11 
+    580000      116000.00      29.508     -23.856       5.652   3.97 0.357 0.615 0.325 0.423     267.715     300.000       6.697   11 
+    590000      118000.00      30.603     -22.448       8.155   3.34 0.143 0.833 0.269 0.561     277.649     300.000       6.799   11 
+    600000      120000.00      27.674     -16.148      11.527   6.44 0.143 0.714 0.221 0.335     251.076     300.000       7.677   11 
+    610000      122000.00      30.154     -27.087       3.067   3.16 0.214 0.625 0.233 0.697     273.570     290.000       7.145   11 
+    620000      124000.00      28.565     -30.340      -1.775   3.32 0.357 0.615 0.241 0.496     259.159     290.000       7.000   11 
+    630000      126000.00      20.618     -37.068     -16.450   3.24 0.286 0.714 0.370 0.297     187.061     290.000       6.340   11 
+    640000      128000.00      31.558     -28.192       3.366   3.84 0.357 0.583 0.258 0.468     286.308     290.000       6.567   11 
+    650000      130000.00      31.685     -30.647       1.038   3.27 0.357 0.615 0.255 0.982     287.466     290.000       7.034   11 
+    660000      132000.00      25.286     -27.488      -2.202   2.71 0.286 0.714 0.250 0.744     229.409     290.000       6.871   11 
+    670000      134000.00      35.310     -30.763       4.546   3.52 0.214 0.857 0.338 0.451     320.346     290.000       6.663   11 
+    680000      136000.00      31.963     -29.099       2.864   2.68 0.357 0.545 0.211 0.682     289.983     290.000       6.730   11 
+    690000      138000.00      24.941     -32.571      -7.629   3.62 0.286 0.789 0.313 1.468     226.280     290.000       6.340   11 
+    700000      140000.00      34.874     -37.835      -2.960   3.42 0.214 0.769 0.259 0.701     316.397     290.000       6.648   11 
+    710000      142000.00      24.355     -36.824     -12.469   2.78 0.357 0.583 0.174 0.329     220.964     280.000       7.150   11 
+    720000      144000.00      30.075     -41.667     -11.592   2.71 0.286 0.765 0.257 1.287     272.854     280.000       6.507   11 
+    730000      146000.00      22.379     -33.863     -11.484   3.21 0.286 0.636 0.302 0.476     203.033     280.000       6.711   11 
+    740000      148000.00      32.988     -40.657      -7.669   2.81 0.286 0.778 0.301 0.779     299.282     280.000       6.446   11 
+    750000      150000.00      25.195     -37.636     -12.441   3.63 0.214 0.667 0.187 0.154     228.584     280.000       7.916   11 
+    760000      152000.00      21.657     -33.090     -11.433   2.94 0.357 0.615 0.280 0.364     196.483     280.000       6.900   11 
+    770000      154000.00      25.417     -32.396      -6.979   3.79 0.071 0.889 0.348 0.599     230.599     280.000       6.270   11 
+    780000      156000.00      28.025     -40.184     -12.159   3.75 0.357 0.688 0.310 0.200     254.257     280.000       6.099   11 
+    790000      158000.00      23.569     -43.968     -20.399   3.09 0.214 0.824 0.366 0.538     213.829     280.000       6.326   11 
+    800000      160000.00      29.404     -42.420     -13.016   3.52 0.214 0.750 0.288 0.724     266.770     280.000       6.506   11 
+    810000      162000.00      25.241     -38.917     -13.676   2.63 0.429 0.571 0.266 0.792     229.000     280.000       6.742   11 
+    820000      164000.00      24.857     -41.005     -16.148   2.84 0.357 0.706 0.385 0.960     225.517     280.000       6.435   11 
+    830000      166000.00      28.712     -37.443      -8.731   2.52 0.500 0.462 0.206 0.374     260.492     280.000       7.086   11 
+    840000      168000.00      34.824     -29.204       5.621   4.78 0.286 0.600 0.186 0.866     315.942     280.000       7.731   11 
+    850000      170000.00      24.844     -27.763      -2.919   5.85 0.286 0.500 0.199 0.520     225.396     280.000       8.338   11 
+    860000      172000.00      28.433     -35.924      -7.491   7.01 0.214 0.750 0.242 0.698     257.958     280.000       7.270   11 
+    870000      174000.00      26.820     -28.837      -2.017   4.81 0.143 0.818 0.273 0.208     243.325     280.000       7.302   11 
+    880000      176000.00      34.467     -35.026      -0.558   6.23 0.357 0.583 0.174 0.566     312.706     280.000       8.199   11 
+    890000      178000.00      29.739     -37.186      -7.446   4.05 0.214 0.786 0.318 0.417     269.808     280.000       6.921   11 
+    900000      180000.00      28.558     -38.435      -9.877   5.99 0.429 0.571 0.169 0.351     259.094     280.000       8.656   11 
+    910000      182000.00      28.359     -29.878      -1.519   4.06 0.214 0.727 0.178 0.158     257.291     280.000       7.453   11 
+    920000      184000.00      26.985     -27.277      -0.292   7.26 0.357 0.545 0.174 0.401     244.826     280.000       8.761   11 
+    930000      186000.00      25.943     -25.646       0.298   7.47 0.286 0.667 0.186 0.781     235.372     280.000       8.500   11 
+    940000      188000.00      28.298     -27.316       0.982   4.61 0.500 0.533 0.245 0.790     256.735     280.000       7.200   11 
+    950000      190000.00      31.381     -30.259       1.122   3.96 0.429 0.625 0.185 1.379     284.706     280.000       6.948   11 
+    960000      192000.00      23.568     -20.673       2.895   5.15 0.357 0.444 0.187 0.227     213.817     280.000       7.729   11 
+    970000      194000.00      32.796     -32.402       0.394   3.94 0.214 0.700 0.177 0.336     297.544     280.000       7.823   11 
+    980000      196000.00      27.849     -26.290       1.559   7.03 0.357 0.375 0.170 0.512     252.663     280.000       8.255   11 
+    990000      198000.00      25.869     -32.636      -6.767   6.70 0.286 0.733 0.252 0.512     234.698     280.000       7.051   11 
+   1000000      200000.00      24.201     -33.762      -9.562   4.22 0.143 0.800 0.332 0.541     219.561     280.000       7.037   11 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB012.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB012.stat
index 0027baa..4a84249 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB012.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB012.stat
@@ -1,101 +1,101 @@
-         0           0.00      20.868     115.789     136.657  12.87 0.000   NaN   NaN 4.850     189.327     280.000      15.552   12 
-     10000        2000.00      25.199     -27.721      -2.522   3.76 0.286 0.750 0.386 0.571     228.617     280.000       6.255   12 
-     20000        4000.00      27.192     -33.311      -6.119   3.46 0.143 0.846 0.332 0.657     246.702     280.000       6.211   12 
-     30000        6000.00      33.106     -35.994      -2.887   3.80 0.357 0.643 0.269 0.246     300.359     280.000       6.255   12 
-     40000        8000.00      33.134     -32.371       0.762   3.83 0.286 0.500 0.188 0.862     300.606     280.000       6.866   12 
-     50000       10000.00      35.969     -37.228      -1.259   3.57 0.214 0.786 0.276 0.316     326.333     280.000       6.607   12 
-     60000       12000.00      22.577     -38.855     -16.278   4.95 0.071 0.909 0.244 0.385     204.834     280.000       6.250   12 
-     70000       14000.00      36.026     -39.090      -3.064   5.54 0.214 0.769 0.234 1.039     326.843     280.000       7.435   12 
-     80000       16000.00      37.925     -32.651       5.274   6.06 0.143 0.778 0.212 1.103     344.074     280.000       7.506   12 
-     90000       18000.00      25.415     -37.492     -12.078   4.46 0.286 0.765 0.372 0.815     230.574     280.000       6.606   12 
-    100000       20000.00      31.555     -35.058      -3.503   3.67 0.143 0.857 0.351 0.288     286.279     280.000       6.400   12 
-    110000       22000.00      32.897     -31.782       1.115   3.77 0.214 0.700 0.259 0.878     298.460     290.000       6.636   12 
-    120000       24000.00      26.986     -37.457     -10.472   3.74 0.214 0.750 0.318 0.819     244.828     290.000       6.477   12 
-    130000       26000.00      26.480     -26.329       0.151   4.81 0.000 1.000 0.222 0.697     240.242     290.000       6.653   12 
-    140000       28000.00      28.157     -28.275      -0.118   5.35 0.071 0.900 0.214 0.338     255.454     290.000       7.222   12 
-    150000       30000.00      24.924     -10.375      14.549   4.38 0.214 0.667 0.192 0.679     226.121     290.000       7.383   12 
-    160000       32000.00      34.069     -25.557       8.512   6.23 0.071 0.909 0.260 0.769     309.094     290.000       6.940   12 
-    170000       34000.00      37.335     -22.917      14.418   4.70 0.143 0.846 0.231 0.762     338.726     290.000       7.399   12 
-    180000       36000.00      27.282     -20.576       6.706   4.89 0.071 0.875 0.205 0.271     247.517     290.000       7.565   12 
-    190000       38000.00      27.816     -25.149       2.668   6.20 0.214 0.812 0.247 0.576     252.364     290.000       7.172   12 
-    200000       40000.00      36.163     -26.275       9.888   5.15 0.071 0.900 0.232 0.387     328.091     290.000       7.258   12 
-    210000       42000.00      24.338     -15.248       9.091   3.05 0.286 0.600 0.332 0.740     220.810     320.000       6.996   12 
-    220000       44000.00      36.634      -9.045      27.588   7.04 0.143 0.667 0.235 1.073     332.358     320.000       7.629   12 
-    230000       46000.00      36.272     -18.687      17.585   5.55 0.071 0.750 0.193 0.236     329.081     320.000       8.855   12 
-    240000       48000.00      36.716      -3.813      32.903   4.10 0.286 0.636 0.347 0.411     333.104     320.000       6.996   12 
-    250000       50000.00      29.723     -14.093      15.630   5.95 0.143 0.800 0.323 0.263     269.663     320.000       7.948   12 
-    260000       52000.00      33.605     -17.808      15.797   6.33 0.071 0.889 0.258 0.509     304.882     320.000       7.690   12 
-    270000       54000.00      38.833     -12.175      26.658   4.82 0.214 0.625 0.216 0.308     352.312     320.000       7.985   12 
-    280000       56000.00      27.067       0.833      27.900   5.22 0.143 0.750 0.449 0.904     245.566     320.000       7.008   12 
-    290000       58000.00      29.725     -13.352      16.374   4.43 0.000 1.000 0.351 0.726     269.683     320.000       7.597   12 
-    300000       60000.00      37.785      -2.054      35.731   6.74 0.000 1.000 0.416 0.655     342.802     320.000       8.000   12 
-    310000       62000.00      36.505      -1.318      35.187   8.12 0.143 0.600 0.155 0.514     331.192     320.000       9.652   12 
-    320000       64000.00      31.056      -1.793      29.263   6.06 0.143 0.667 0.205 0.533     281.760     320.000       8.184   12 
-    330000       66000.00      39.930     -13.266      26.664   5.70 0.143 0.714 0.162 0.418     362.269     320.000       8.296   12 
-    340000       68000.00      37.523       2.518      40.041   6.67 0.071 0.500 0.205 0.548     340.430     320.000       8.082   12 
-    350000       70000.00      30.040      -3.851      26.189   4.12 0.143 0.600 0.400 1.457     272.541     320.000       7.729   12 
-    360000       72000.00      22.898     -11.353      11.545   6.54 0.071 0.900 0.309 0.573     207.740     320.000       7.591   12 
-    370000       74000.00      34.685     -21.026      13.660   2.98 0.286 0.636 0.269 0.689     314.683     320.000       7.078   12 
-    380000       76000.00      29.568      -8.771      20.797   8.07 0.143 0.600 0.155 0.411     268.259     320.000      11.152   12 
-    390000       78000.00      32.212       1.720      33.931   6.08 0.071 0.900 0.400 0.443     292.240     320.000       7.394   12 
-    400000       80000.00      29.622      -8.297      21.324   6.30 0.143 0.800 0.295 0.154     268.742     320.000       7.334   12 
-    410000       82000.00      40.506      -8.590      31.917   5.81 0.214 0.667 0.258 0.650     367.495     330.000       7.326   12 
-    420000       84000.00      32.916      -2.730      30.186   5.88 0.000 1.000 0.368 0.517     298.635     330.000       7.710   12 
-    430000       86000.00      31.461       6.727      38.188   6.06 0.000 1.000 0.455 0.802     285.432     330.000       7.520   12 
-    440000       88000.00      32.157       0.323      32.480   4.85 0.143 0.750 0.188 0.597     291.742     330.000       7.752   12 
-    450000       90000.00      34.500       7.116      41.616   5.40 0.071 0.800 0.391 1.325     313.004     330.000       7.707   12 
-    460000       92000.00      36.344      -7.097      29.247   6.12 0.143 0.818 0.347 0.441     329.733     330.000       7.024   12 
-    470000       94000.00      44.839      -9.468      35.371   4.29 0.214 0.667 0.217 1.082     406.803     330.000       7.412   12 
-    480000       96000.00      35.158     -10.222      24.936   3.59 0.286 0.429 0.175 0.379     318.971     330.000       7.639   12 
-    490000       98000.00      31.288      -6.399      24.889   4.76 0.071 0.889 0.328 0.343     283.862     330.000       7.132   12 
-    500000      100000.00      33.933     -12.361      21.572   7.03 0.071 0.889 0.207 0.322     307.860     330.000       8.263   12 
-    510000      102000.00      29.348     -11.860      17.487   5.00 0.143 0.778 0.449 0.511     266.258     330.000       7.392   12 
-    520000      104000.00      27.067     -11.010      16.056   5.77 0.143 0.867 0.309 0.595     245.562     330.000       7.005   12 
-    530000      106000.00      34.887      -5.918      28.969   3.31 0.143 0.800 0.286 1.102     316.512     330.000       6.961   12 
-    540000      108000.00      24.304     -19.319       4.986   2.19 0.429 0.538 0.301 0.330     220.502     330.000       6.960   12 
-    550000      110000.00      34.951      -8.652      26.299   4.92 0.071 0.917 0.277 1.386     317.090     330.000       7.082   12 
-    560000      112000.00      37.943      -6.307      31.636   5.87 0.286 0.500 0.182 0.964     344.240     330.000       9.230   12 
-    570000      114000.00      39.790      -5.353      34.437   7.30 0.286 0.429 0.162 0.921     360.992     330.000       8.981   12 
-    580000      116000.00      30.749      -5.342      25.407   3.37 0.214 0.667 0.207 0.281     278.968     330.000       7.837   12 
-    590000      118000.00      34.017      -4.493      29.524   5.91 0.143 0.667 0.167 1.520     308.618     330.000       9.892   12 
-    600000      120000.00      45.804       1.227      47.031   5.19 0.143 0.778 0.237 0.368     415.557     330.000       7.827   12 
-    610000      122000.00      47.034      -4.063      42.971   4.07 0.214 0.667 0.379 0.339     426.720     340.000       7.310   12 
-    620000      124000.00      32.533     -15.361      17.173   4.28 0.357 0.615 0.413 0.775     295.158     340.000       6.903   12 
-    630000      126000.00      31.415      -4.288      27.127   5.08 0.214 0.700 0.336 0.821     285.013     340.000       7.218   12 
-    640000      128000.00      28.007       8.174      36.181   6.43 0.071 0.667 0.197 0.603     254.097     340.000       8.189   12 
-    650000      130000.00      28.773      -0.055      28.718   5.50 0.143 0.600 0.191 0.429     261.045     340.000       8.356   12 
-    660000      132000.00      38.803       4.531      43.334   5.11 0.071 0.667 0.258 1.057     352.039     340.000       8.507   12 
-    670000      134000.00      29.600      -3.589      26.011   7.18 0.143 0.600 0.245 0.586     268.545     340.000       9.511   12 
-    680000      136000.00      29.566     -10.767      18.800   6.18 0.143 0.833 0.250 0.287     268.242     340.000       7.845   12 
-    690000      138000.00      39.990      -2.822      37.169   8.59 0.143 0.667 0.212 1.042     362.814     340.000      10.608   12 
-    700000      140000.00      32.036      -1.467      30.569   4.97 0.143 0.778 0.293 1.054     290.644     340.000       7.858   12 
-    710000      142000.00      32.326       2.876      35.202   5.15 0.071 0.833 0.280 1.179     293.279     340.000       8.194   12 
-    720000      144000.00      33.808      -9.440      24.367   3.87 0.143 0.714 0.344 0.360     306.722     340.000       7.080   12 
-    730000      146000.00      34.654       0.075      34.729   6.72 0.000 1.000 0.279 0.589     314.400     340.000       8.050   12 
-    740000      148000.00      28.721      -1.460      27.261   4.62 0.214 0.625 0.273 0.682     260.567     340.000       7.146   12 
-    750000      150000.00      36.086      -7.245      28.841   6.01 0.071 0.900 0.359 0.448     327.393     340.000       6.939   12 
-    760000      152000.00      32.307     -19.520      12.787   3.12 0.286 0.667 0.314 0.447     293.105     340.000       7.119   12 
-    770000      154000.00      33.347      -6.869      26.478   4.89 0.071 0.875 0.415 0.350     302.538     340.000       8.063   12 
-    780000      156000.00      29.061      -6.751      22.310   5.87 0.143 0.818 0.186 0.312     263.656     340.000       7.911   12 
-    790000      158000.00      32.447      -3.908      28.539   6.48 0.071 0.929 0.279 0.465     294.380     340.000       7.083   12 
-    800000      160000.00      26.829      -4.680      22.149   6.80 0.071 0.750 0.170 0.293     243.407     340.000       8.443   12 
-    810000      162000.00      28.148      -7.177      20.970   3.39 0.000 1.000 0.318 0.425     255.369     330.000       7.720   12 
-    820000      164000.00      33.189      -9.839      23.350   3.58 0.143 0.714 0.201 0.355     301.108     330.000       7.004   12 
-    830000      166000.00      33.784      -5.489      28.295   5.41 0.143 0.875 0.298 0.608     306.502     330.000       7.303   12 
-    840000      168000.00      29.053       7.084      36.137   6.04 0.071 0.667 0.227 0.635     263.583     330.000       9.021   12 
-    850000      170000.00      29.477     -11.503      17.974   3.55 0.357 0.643 0.253 1.075     267.430     330.000       7.425   12 
-    860000      172000.00      25.944      -4.861      21.083   5.71 0.071 0.875 0.415 0.289     235.381     330.000       6.762   12 
-    870000      174000.00      42.523      -8.670      33.853   7.88 0.286 0.429 0.162 0.616     385.790     330.000      10.190   12 
-    880000      176000.00      39.381      -4.571      34.809   8.11 0.214 0.625 0.165 0.154     357.282     330.000      10.389   12 
-    890000      178000.00      30.535      -9.119      21.415   6.87 0.143 0.818 0.335 0.350     277.027     330.000       7.198   12 
-    900000      180000.00      42.473     -13.688      28.785   3.87 0.286 0.636 0.174 0.693     385.340     330.000       7.556   12 
-    910000      182000.00      35.034     -11.432      23.602   4.00 0.214 0.571 0.234 0.332     317.847     320.000       7.105   12 
-    920000      184000.00      29.013     -14.861      14.153   4.17 0.286 0.600 0.291 0.279     263.225     320.000       7.277   12 
-    930000      186000.00      36.267      -7.107      29.161   4.22 0.000 1.000 0.284 0.815     329.035     320.000       8.050   12 
-    940000      188000.00      33.360      -8.239      25.120   5.00 0.000 1.000 0.400 0.390     302.657     320.000       6.774   12 
-    950000      190000.00      37.827     -16.139      21.688   3.44 0.143 0.833 0.367 0.140     343.186     320.000       7.815   12 
-    960000      192000.00      23.162      -8.114      15.048   4.07 0.214 0.700 0.227 0.326     210.138     320.000       7.387   12 
-    970000      194000.00      32.629     -11.335      21.293   5.61 0.143 0.846 0.290 0.727     296.024     320.000       7.547   12 
-    980000      196000.00      35.856      -4.698      31.158   4.99 0.143 0.600 0.264 0.493     325.302     320.000       7.902   12 
-    990000      198000.00      34.903     -12.485      22.417   3.90 0.214 0.750 0.322 0.628     316.655     320.000       7.056   12 
-   1000000      200000.00      23.808      -5.490      18.318   7.32 0.071 0.833 0.197 0.379     215.995     320.000       8.633   12 
+         0           0.00      23.104     114.718     137.823  12.87 0.000   NaN   NaN 4.850     209.612     310.000      15.552   12 
+     10000        2000.00      26.291     -16.060      10.230   6.01 0.071 0.923 0.360 0.303     238.522     310.000       6.981   12 
+     20000        4000.00      34.276     -15.177      19.099   5.80 0.071 0.833 0.242 0.179     310.970     310.000       7.712   12 
+     30000        6000.00      40.579     -15.357      25.223   4.95 0.214 0.700 0.255 0.787     368.156     310.000       7.088   12 
+     40000        8000.00      33.273      -8.896      24.377   6.34 0.000 1.000 0.323 0.697     301.872     310.000       7.517   12 
+     50000       10000.00      37.288     -14.382      22.907   4.65 0.429 0.571 0.321 0.340     338.300     310.000       6.358   12 
+     60000       12000.00      27.288     -13.772      13.516   4.57 0.214 0.750 0.235 0.805     247.572     310.000       7.587   12 
+     70000       14000.00      37.916     -23.074      14.842   5.00 0.357 0.615 0.294 0.606     343.998     310.000       7.088   12 
+     80000       16000.00      40.395     -19.340      21.055   3.78 0.357 0.500 0.155 0.364     366.481     310.000       7.642   12 
+     90000       18000.00      25.514      -5.399      20.115   6.32 0.214 0.625 0.153 0.860     231.479     310.000       9.728   12 
+    100000       20000.00      35.115     -12.914      22.201   3.42 0.286 0.636 0.310 0.749     318.580     310.000       7.125   12 
+    110000       22000.00      32.739      -3.876      28.863   5.45 0.071 0.833 0.258 1.249     297.027     320.000       7.777   12 
+    120000       24000.00      31.112     -15.027      16.084   3.21 0.143 0.818 0.351 0.426     282.260     320.000       7.054   12 
+    130000       26000.00      31.988     -32.371      -0.384   2.94 0.286 0.692 0.311 0.598     290.207     320.000       7.100   12 
+    140000       28000.00      28.545      -2.451      26.094   6.91 0.071 0.667 0.182 0.590     258.979     320.000       9.749   12 
+    150000       30000.00      25.680      -5.176      20.504   4.32 0.143 0.750 0.176 0.643     232.985     320.000       7.925   12 
+    160000       32000.00      36.863       0.026      36.889   4.92 0.071 0.833 0.273 0.318     334.436     320.000       7.797   12 
+    170000       34000.00      42.321     -22.879      19.442   5.26 0.071 0.909 0.306 0.485     383.954     320.000       7.708   12 
+    180000       36000.00      30.047     -15.069      14.977   4.29 0.286 0.692 0.301 0.220     272.599     320.000       7.028   12 
+    190000       38000.00      32.134      -9.417      22.717   6.03 0.286 0.636 0.364 0.617     291.537     320.000       6.973   12 
+    200000       40000.00      40.122     -18.399      21.723   4.93 0.143 0.778 0.258 0.616     364.010     320.000       7.258   12 
+    210000       42000.00      27.091     -14.727      12.364   5.81 0.143 0.714 0.312 0.510     245.781     310.000       7.295   12 
+    220000       44000.00      37.179     -18.364      18.814   7.30 0.429 0.333 0.192 0.814     337.304     310.000       9.251   12 
+    230000       46000.00      33.073     -12.743      20.330   4.17 0.214 0.400 0.164 0.249     300.058     310.000       7.950   12 
+    240000       48000.00      36.733     -15.603      21.130   5.12 0.286 0.600 0.177 0.347     333.264     310.000       7.896   12 
+    250000       50000.00      28.362     -19.279       9.083   4.41 0.286 0.636 0.380 0.290     257.312     310.000       6.936   12 
+    260000       52000.00      34.017     -18.695      15.322   5.08 0.143 0.778 0.490 0.524     308.617     310.000       7.319   12 
+    270000       54000.00      40.383     -16.492      23.892   4.50 0.143 0.750 0.369 0.514     366.380     310.000       7.257   12 
+    280000       56000.00      24.671     -14.997       9.674   4.24 0.286 0.500 0.148 0.323     223.829     310.000       8.382   12 
+    290000       58000.00      29.841     -13.653      16.189   6.52 0.214 0.625 0.199 0.526     270.737     310.000       8.241   12 
+    300000       60000.00      34.403      -6.107      28.296   4.90 0.214 0.727 0.450 1.227     312.125     310.000       6.790   12 
+    310000       62000.00      36.814       4.117      40.931   7.78 0.071 0.500 0.159 0.739     333.992     330.000      10.603   12 
+    320000       64000.00      35.846     -10.908      24.938   5.76 0.000 1.000 0.293 0.665     325.211     330.000       7.302   12 
+    330000       66000.00      35.796      -5.335      30.461   3.86 0.286 0.333 0.280 0.502     324.756     330.000       7.382   12 
+    340000       68000.00      34.701      -5.435      29.266   4.89 0.143 0.818 0.285 0.427     314.823     330.000       6.505   12 
+    350000       70000.00      31.073      -9.163      21.909   4.46 0.214 0.750 0.258 0.939     281.906     330.000       6.746   12 
+    360000       72000.00      25.848      -3.453      22.396   7.14 0.214 0.667 0.278 0.380     234.509     330.000       7.531   12 
+    370000       74000.00      36.417      -4.652      31.765   4.69 0.214 0.500 0.182 0.631     330.394     330.000       9.081   12 
+    380000       76000.00      29.132     -15.651      13.480   4.02 0.071 0.833 0.333 0.991     264.298     330.000       7.383   12 
+    390000       78000.00      32.298     -15.816      16.482   4.90 0.214 0.769 0.217 1.279     293.022     330.000       7.244   12 
+    400000       80000.00      31.221      -9.284      21.937   5.03 0.071 0.917 0.307 0.678     283.249     330.000       7.784   12 
+    410000       82000.00      35.714      -7.010      28.704   6.09 0.214 0.571 0.208 0.396     324.015     320.000       8.748   12 
+    420000       84000.00      35.890     -16.764      19.127   5.12 0.071 0.857 0.221 0.237     325.617     320.000       7.573   12 
+    430000       86000.00      31.962     -20.679      11.283   3.80 0.143 0.846 0.399 0.586     289.977     320.000       7.183   12 
+    440000       88000.00      33.506     -22.547      10.959   2.83 0.286 0.692 0.315 0.444     303.983     320.000       6.895   12 
+    450000       90000.00      35.135      -6.869      28.266   6.54 0.214 0.571 0.162 0.544     318.766     320.000       8.634   12 
+    460000       92000.00      38.012     -13.226      24.786   2.96 0.286 0.556 0.192 0.858     344.866     320.000       7.948   12 
+    470000       94000.00      46.602     -12.436      34.166   4.83 0.214 0.625 0.188 0.697     422.796     320.000       7.815   12 
+    480000       96000.00      34.135     -13.144      20.991   4.81 0.143 0.818 0.306 0.316     309.687     320.000       6.847   12 
+    490000       98000.00      30.821     -10.124      20.696   3.29 0.357 0.545 0.273 0.227     279.620     320.000       7.321   12 
+    500000      100000.00      33.280     -20.559      12.721   7.01 0.071 0.833 0.250 0.603     301.931     320.000       8.609   12 
+    510000      102000.00      25.354     -14.790      10.564   5.95 0.214 0.625 0.216 1.121     230.028     320.000       7.950   12 
+    520000      104000.00      28.344      -8.595      19.749   3.38 0.000 1.000 0.242 0.158     257.154     320.000       7.344   12 
+    530000      106000.00      36.574      -5.035      31.538   4.84 0.214 0.625 0.432 1.074     331.816     320.000       7.106   12 
+    540000      108000.00      23.285     -14.648       8.637   4.23 0.357 0.643 0.445 0.776     211.255     320.000       6.726   12 
+    550000      110000.00      34.468     -16.539      17.929   5.12 0.286 0.733 0.376 0.172     312.714     320.000       7.067   12 
+    560000      112000.00      35.077      -9.751      25.326   4.56 0.143 0.750 0.273 0.900     318.236     320.000       7.176   12 
+    570000      114000.00      36.083     -11.301      24.781   5.17 0.214 0.667 0.182 0.386     327.361     320.000       8.072   12 
+    580000      116000.00      31.586     -24.673       6.913   2.74 0.286 0.733 0.297 0.264     286.563     320.000       7.060   12 
+    590000      118000.00      34.878     -10.919      23.960   4.01 0.143 0.833 0.341 0.805     316.435     320.000       6.746   12 
+    600000      120000.00      45.463      -7.102      38.362   2.94 0.214 0.625 0.250 0.401     412.466     320.000       7.011   12 
+    610000      122000.00      42.357       0.115      42.471   4.67 0.071 0.800 0.245 0.444     384.283     320.000       7.633   12 
+    620000      124000.00      32.101     -16.491      15.610   4.28 0.286 0.636 0.351 0.148     291.237     320.000       7.341   12 
+    630000      126000.00      29.260      -9.040      20.220   3.65 0.357 0.500 0.355 1.013     265.462     320.000       6.968   12 
+    640000      128000.00      26.855     -17.551       9.304   4.67 0.286 0.556 0.172 0.536     243.644     320.000       8.316   12 
+    650000      130000.00      26.112     -10.764      15.348   5.26 0.214 0.500 0.152 0.323     236.905     320.000       8.714   12 
+    660000      132000.00      36.591     -18.988      17.603   5.54 0.214 0.571 0.182 0.676     331.968     320.000       8.397   12 
+    670000      134000.00      29.830      -7.548      22.282   6.79 0.214 0.571 0.156 0.196     270.636     320.000       9.796   12 
+    680000      136000.00      27.892      -5.861      22.031   7.00 0.143 0.750 0.216 0.604     253.050     320.000       8.260   12 
+    690000      138000.00      37.236      -8.393      28.844   5.77 0.214 0.250 0.159 0.987     337.828     320.000       9.091   12 
+    700000      140000.00      30.998     -20.166      10.832   4.37 0.286 0.733 0.270 0.791     281.231     320.000       7.262   12 
+    710000      142000.00      32.812      -1.565      31.247   7.21 0.143 0.818 0.260 1.240     297.690     320.000       7.308   12 
+    720000      144000.00      33.113     -10.305      22.808   7.32 0.071 0.889 0.338 0.368     300.418     320.000       6.762   12 
+    730000      146000.00      34.921     -17.808      17.113   3.26 0.214 0.769 0.304 0.344     316.822     320.000       6.863   12 
+    740000      148000.00      29.219      -9.112      20.108   4.07 0.286 0.667 0.227 0.529     265.092     320.000       8.209   12 
+    750000      150000.00      34.012     -10.787      23.225   5.29 0.214 0.667 0.232 0.559     308.578     320.000       7.667   12 
+    760000      152000.00      29.973      -6.255      23.717   5.12 0.071 0.750 0.170 0.368     271.927     320.000       8.875   12 
+    770000      154000.00      30.723     -15.484      15.238   6.08 0.143 0.667 0.167 0.146     278.733     320.000       9.522   12 
+    780000      156000.00      29.500     -13.222      16.278   3.99 0.214 0.727 0.223 0.219     267.638     320.000       7.566   12 
+    790000      158000.00      28.551     -10.159      18.391   6.25 0.071 0.833 0.205 0.709     259.025     320.000       7.920   12 
+    800000      160000.00      27.436     -17.459       9.977   4.21 0.071 0.889 0.343 0.609     248.915     320.000       6.915   12 
+    810000      162000.00      26.415     -16.950       9.465   3.97 0.143 0.778 0.283 0.408     239.651     320.000       6.764   12 
+    820000      164000.00      34.342     -10.030      24.312   4.24 0.214 0.700 0.300 0.960     311.566     320.000       7.266   12 
+    830000      166000.00      33.144     -10.238      22.906   7.41 0.000 1.000 0.191 0.414     300.703     320.000       8.999   12 
+    840000      168000.00      28.350     -13.554      14.796   3.46 0.214 0.769 0.350 0.275     257.207     320.000       7.020   12 
+    850000      170000.00      31.451     -18.186      13.265   7.19 0.214 0.727 0.269 0.770     285.339     320.000       7.284   12 
+    860000      172000.00      23.423      -9.210      14.212   6.75 0.000 1.000 0.278 0.607     212.503     320.000       8.089   12 
+    870000      174000.00      41.714     -20.558      21.156   5.77 0.071 0.917 0.288 0.403     378.450     320.000       7.113   12 
+    880000      176000.00      34.422     -10.018      24.403   3.72 0.071 0.889 0.323 0.539     312.291     320.000       7.198   12 
+    890000      178000.00      32.802      -0.531      32.271   6.77 0.143 0.333 0.152 0.188     297.595     320.000      10.563   12 
+    900000      180000.00      41.409      -8.705      32.704   3.75 0.143 0.750 0.369 0.318     375.684     320.000       7.322   12 
+    910000      182000.00      36.668      -8.258      28.410   5.09 0.286 0.636 0.190 0.221     332.673     330.000       7.343   12 
+    920000      184000.00      30.901      -4.764      26.137   5.01 0.214 0.700 0.241 0.272     280.347     330.000       7.500   12 
+    930000      186000.00      35.669      -3.310      32.359   7.63 0.071 0.750 0.239 0.579     323.609     330.000       9.272   12 
+    940000      188000.00      35.740       2.183      37.923   4.97 0.071 0.833 0.174 0.443     324.255     330.000       7.887   12 
+    950000      190000.00      38.195      -3.579      34.616   6.58 0.143 0.778 0.258 0.338     346.528     330.000       9.136   12 
+    960000      192000.00      21.952      -7.644      14.308   5.36 0.071 0.917 0.277 0.315     199.160     330.000       7.634   12 
+    970000      194000.00      32.639       9.806      42.445   7.90 0.071 0.000 0.136 0.909     296.114     330.000      11.509   12 
+    980000      196000.00      38.217       3.571      41.788  10.29 0.071 0.000 0.136 0.969     346.725     330.000      12.962   12 
+    990000      198000.00      35.367       0.676      36.043   7.26 0.071 0.500 0.182 0.477     320.864     330.000       9.158   12 
+   1000000      200000.00      25.517       7.198      32.716   5.61 0.071 0.750 0.148 0.616     231.508     330.000       9.093   12 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB013.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB013.stat
index be5ffda..77a4b03 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB013.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB013.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.777     115.789     143.567  12.87 0.000   NaN   NaN 4.850     252.011     280.000      15.552   13 
-     10000        2000.00      29.569     -32.433      -2.864   3.83 0.214 0.700 0.350 0.444     268.266     280.000       6.918   13 
-     20000        4000.00      32.436     -34.296      -1.860   4.14 0.214 0.727 0.256 0.429     294.279     280.000       6.773   13 
-     30000        6000.00      25.734     -31.282      -5.547   4.31 0.214 0.800 0.324 0.511     233.475     280.000       6.726   13 
-     40000        8000.00      25.924     -35.423      -9.499   4.11 0.357 0.615 0.269 0.519     235.199     280.000       6.693   13 
-     50000       10000.00      27.470     -39.427     -11.957   2.99 0.571 0.529 0.257 0.245     249.222     280.000       6.440   13 
-     60000       12000.00      25.017     -39.061     -14.044   2.96 0.286 0.692 0.206 0.363     226.966     280.000       6.984   13 
-     70000       14000.00      24.533     -30.847      -6.314   3.23 0.286 0.500 0.216 0.464     222.578     280.000       7.478   13 
-     80000       16000.00      31.509     -37.508      -5.999   2.75 0.357 0.583 0.239 0.788     285.867     280.000       6.925   13 
-     90000       18000.00      27.785     -34.745      -6.960   2.83 0.214 0.750 0.292 0.321     252.078     280.000       6.591   13 
-    100000       20000.00      26.677     -32.774      -6.096   2.73 0.429 0.600 0.330 0.486     242.029     280.000       6.558   13 
-    110000       22000.00      25.319     -36.771     -11.452   2.90 0.286 0.667 0.231 0.148     229.707     270.000       6.887   13 
-    120000       24000.00      31.640     -43.806     -12.166   2.50 0.500 0.533 0.294 0.953     287.056     270.000       6.354   13 
-    130000       26000.00      21.378     -39.963     -18.585   2.98 0.357 0.583 0.197 0.250     193.953     270.000       6.777   13 
-    140000       28000.00      26.856     -41.479     -14.624   2.78 0.500 0.462 0.192 0.414     243.649     270.000       6.923   13 
-    150000       30000.00      29.973     -50.198     -20.225   2.56 0.429 0.684 0.356 0.473     271.932     270.000       6.420   13 
-    160000       32000.00      25.310     -36.716     -11.406   3.58 0.286 0.636 0.186 0.853     229.624     270.000       7.605   13 
-    170000       34000.00      29.421     -43.169     -13.747   3.08 0.500 0.462 0.276 0.310     266.924     270.000       6.769   13 
-    180000       36000.00      28.477     -44.750     -16.273   2.99 0.357 0.667 0.300 0.423     258.360     270.000       6.240   13 
-    190000       38000.00      27.435     -44.371     -16.936   2.80 0.143 0.833 0.242 0.347     248.905     270.000       6.798   13 
-    200000       40000.00      26.765     -46.172     -19.406   2.74 0.429 0.600 0.327 0.421     242.830     270.000       6.487   13 
-    210000       42000.00      24.044     -41.822     -17.778   3.24 0.429 0.571 0.273 0.641     218.141     260.000       6.472   13 
-    220000       44000.00      18.614     -42.136     -23.522   3.01 0.357 0.375 0.165 0.190     168.878     260.000       7.501   13 
-    230000       46000.00      25.695     -44.405     -18.710   3.04 0.357 0.583 0.208 0.327     233.120     260.000       7.194   13 
-    240000       48000.00      30.079     -51.771     -21.692   2.93 0.357 0.615 0.196 0.572     272.892     260.000       7.178   13 
-    250000       50000.00      31.161     -47.803     -16.642   3.01 0.286 0.556 0.202 0.696     282.710     260.000       6.953   13 
-    260000       52000.00      25.746     -44.452     -18.706   2.52 0.286 0.636 0.165 0.774     233.581     260.000       7.022   13 
-    270000       54000.00      23.602     -56.493     -32.891   2.89 0.286 0.714 0.276 0.277     214.131     260.000       6.507   13 
-    280000       56000.00      26.410     -43.975     -17.565   2.93 0.357 0.583 0.201 0.412     239.602     260.000       7.195   13 
-    290000       58000.00      28.643     -49.671     -21.028   2.66 0.214 0.727 0.306 0.679     259.866     260.000       6.586   13 
-    300000       60000.00      22.801     -48.637     -25.836   2.96 0.500 0.588 0.294 0.299     206.862     260.000       6.452   13 
-    310000       62000.00      27.153     -46.360     -19.207   2.67 0.357 0.643 0.250 0.471     246.347     260.000       6.588   13 
-    320000       64000.00      24.153     -37.609     -13.456   2.90 0.286 0.692 0.388 1.046     219.132     260.000       6.451   13 
-    330000       66000.00      28.266     -44.996     -16.730   2.58 0.286 0.600 0.182 0.300     256.442     260.000       6.943   13 
-    340000       68000.00      22.779     -46.007     -23.228   2.62 0.429 0.571 0.325 0.163     206.663     260.000       6.790   13 
-    350000       70000.00      23.265     -45.493     -22.228   3.82 0.571 0.500 0.298 0.310     211.071     260.000       6.730   13 
-    360000       72000.00      27.003     -51.802     -24.800   2.89 0.357 0.545 0.223 0.337     244.981     260.000       6.657   13 
-    370000       74000.00      29.713     -43.739     -14.026   3.65 0.286 0.692 0.199 0.375     269.573     260.000       7.357   13 
-    380000       76000.00      29.557     -44.110     -14.553   3.26 0.286 0.636 0.194 0.904     268.159     260.000       7.633   13 
-    390000       78000.00      24.508     -49.262     -24.754   3.10 0.571 0.385 0.182 0.833     222.351     260.000       7.201   13 
-    400000       80000.00      25.120     -52.870     -27.751   2.79 0.429 0.571 0.227 0.412     227.900     260.000       6.862   13 
-    410000       82000.00      23.694     -53.171     -29.478   2.76 0.286 0.692 0.210 0.950     214.960     250.000       7.133   13 
-    420000       84000.00      26.014     -57.577     -31.563   2.67 0.357 0.643 0.240 0.685     236.010     250.000       6.638   13 
-    430000       86000.00      23.188     -54.826     -31.638   2.57 0.286 0.692 0.231 0.401     210.374     250.000       6.557   13 
-    440000       88000.00      31.979     -52.521     -20.542   2.92 0.500 0.462 0.196 0.204     290.134     250.000       7.074   13 
-    450000       90000.00      23.113     -52.700     -29.587   3.07 0.357 0.615 0.234 0.198     209.693     250.000       6.778   13 
-    460000       92000.00      25.646     -57.684     -32.038   2.71 0.214 0.824 0.342 0.558     232.676     250.000       6.802   13 
-    470000       94000.00      27.360     -62.844     -35.484   3.15 0.500 0.533 0.218 0.627     248.223     250.000       6.583   13 
-    480000       96000.00      25.345     -54.847     -29.503   2.89 0.357 0.667 0.294 0.785     229.941     250.000       6.239   13 
-    490000       98000.00      30.410     -51.687     -21.277   3.05 0.357 0.615 0.203 0.768     275.892     250.000       7.182   13 
-    500000      100000.00      35.219     -55.227     -20.008   2.76 0.429 0.600 0.255 0.454     319.522     250.000       6.652   13 
-    510000      102000.00      23.254     -55.983     -32.729   3.02 0.357 0.706 0.222 0.319     210.971     250.000       6.966   13 
-    520000      104000.00      24.433     -56.674     -32.241   2.76 0.429 0.600 0.215 0.686     221.670     250.000       6.655   13 
-    530000      106000.00      27.958     -46.530     -18.571   2.90 0.286 0.600 0.214 0.339     253.652     250.000       6.831   13 
-    540000      108000.00      26.158     -57.724     -31.566   2.50 0.429 0.625 0.355 0.685     237.322     250.000       6.576   13 
-    550000      110000.00      29.337     -59.427     -30.090   2.65 0.286 0.733 0.309 0.389     266.161     250.000       6.484   13 
-    560000      112000.00      28.049     -45.976     -17.927   3.85 0.500 0.500 0.250 0.564     254.473     250.000       7.227   13 
-    570000      114000.00      29.749     -60.102     -30.353   2.69 0.500 0.611 0.235 0.874     269.902     250.000       6.628   13 
-    580000      116000.00      29.112     -46.056     -16.944   2.81 0.286 0.714 0.234 0.425     264.119     250.000       6.422   13 
-    590000      118000.00      21.567     -59.286     -37.718   2.91 0.214 0.769 0.343 0.434     195.668     250.000       6.260   13 
-    600000      120000.00      22.866     -49.232     -26.366   2.78 0.429 0.538 0.283 0.913     207.451     250.000       6.796   13 
-    610000      122000.00      28.755     -63.105     -34.350   2.79 0.286 0.636 0.236 0.469     260.884     250.000       6.947   13 
-    620000      124000.00      23.334     -53.769     -30.435   2.82 0.429 0.600 0.324 0.590     211.701     250.000       6.285   13 
-    630000      126000.00      25.048     -48.366     -23.318   3.00 0.357 0.583 0.250 0.225     227.249     250.000       6.880   13 
-    640000      128000.00      26.262     -57.557     -31.295   2.58 0.357 0.667 0.245 1.065     238.262     250.000       6.371   13 
-    650000      130000.00      36.869     -53.189     -16.319   2.29 0.500 0.533 0.348 0.259     334.498     250.000       6.549   13 
-    660000      132000.00      21.653     -56.365     -34.712   2.90 0.500 0.462 0.199 0.464     196.448     250.000       7.099   13 
-    670000      134000.00      24.886     -55.192     -30.306   2.60 0.429 0.571 0.205 0.414     225.779     250.000       6.913   13 
-    680000      136000.00      21.520     -54.126     -32.606   2.90 0.286 0.714 0.386 0.453     195.237     250.000       6.666   13 
-    690000      138000.00      26.135     -50.895     -24.760   2.61 0.357 0.667 0.300 0.311     237.114     250.000       6.356   13 
-    700000      140000.00      21.568     -48.721     -27.153   2.82 0.357 0.583 0.220 0.727     195.674     250.000       6.184   13 
-    710000      142000.00      25.677     -39.287     -13.610   2.90 0.429 0.625 0.199 0.617     232.958     280.000       7.043   13 
-    720000      144000.00      30.690     -37.747      -7.058   3.02 0.500 0.533 0.209 0.311     278.434     280.000       7.089   13 
-    730000      146000.00      32.557     -30.036       2.521   3.36 0.286 0.667 0.178 0.602     295.370     280.000       7.646   13 
-    740000      148000.00      21.584     -37.347     -15.763   3.41 0.357 0.583 0.235 0.486     195.825     280.000       7.169   13 
-    750000      150000.00      29.077     -38.355      -9.279   3.61 0.357 0.737 0.366 0.230     263.801     280.000       6.382   13 
-    760000      152000.00      39.846     -39.549       0.296   3.33 0.286 0.714 0.221 0.262     361.500     280.000       7.215   13 
-    770000      154000.00      30.785     -39.416      -8.631   3.09 0.357 0.615 0.283 0.336     279.295     280.000       6.458   13 
-    780000      156000.00      29.607     -31.045      -1.438   2.61 0.286 0.750 0.310 0.193     268.611     280.000       6.598   13 
-    790000      158000.00      27.516     -30.130      -2.614   3.42 0.286 0.667 0.261 0.386     249.641     280.000       7.050   13 
-    800000      160000.00      25.596     -42.539     -16.942   2.67 0.500 0.500 0.308 0.606     232.224     280.000       7.073   13 
-    810000      162000.00      26.205     -30.975      -4.769   2.70 0.286 0.692 0.276 0.364     237.747     280.000       7.036   13 
-    820000      164000.00      26.839     -38.645     -11.806   3.03 0.357 0.583 0.216 0.339     243.494     280.000       6.884   13 
-    830000      166000.00      27.205     -42.072     -14.867   3.16 0.214 0.824 0.409 0.765     246.822     280.000       6.624   13 
-    840000      168000.00      30.303     -39.349      -9.046   3.56 0.214 0.812 0.440 0.264     274.921     280.000       6.549   13 
-    850000      170000.00      31.011     -34.501      -3.490   3.16 0.286 0.667 0.235 0.312     281.349     280.000       7.028   13 
-    860000      172000.00      29.247     -34.849      -5.603   2.77 0.286 0.667 0.258 0.544     265.342     280.000       6.461   13 
-    870000      174000.00      38.152     -44.882      -6.730   2.65 0.500 0.562 0.256 0.532     346.134     280.000       6.850   13 
-    880000      176000.00      27.965     -28.374      -0.410   2.76 0.429 0.500 0.197 0.341     253.710     280.000       7.182   13 
-    890000      178000.00      28.479     -35.653      -7.174   2.67 0.214 0.786 0.315 0.290     258.376     280.000       6.581   13 
-    900000      180000.00      28.172     -31.151      -2.979   2.64 0.500 0.364 0.223 0.432     255.595     280.000       7.088   13 
-    910000      182000.00      23.835     -38.545     -14.711   2.81 0.286 0.636 0.240 0.462     216.240     270.000       6.965   13 
-    920000      184000.00      23.330     -38.520     -15.190   2.78 0.429 0.625 0.284 1.106     211.659     270.000       6.768   13 
-    930000      186000.00      30.755     -45.219     -14.464   3.12 0.286 0.750 0.301 1.273     279.025     270.000       6.212   13 
-    940000      188000.00      27.702     -40.401     -12.700   3.53 0.286 0.692 0.206 0.307     251.326     270.000       7.520   13 
-    950000      190000.00      24.649     -44.843     -20.194   2.63 0.429 0.625 0.244 0.357     223.629     270.000       6.841   13 
-    960000      192000.00      30.121     -43.993     -13.873   2.89 0.357 0.583 0.242 0.587     273.270     270.000       6.713   13 
-    970000      194000.00      23.614     -34.984     -11.370   3.60 0.286 0.733 0.327 0.437     214.237     270.000       6.845   13 
-    980000      196000.00      21.741     -42.871     -21.130   2.92 0.286 0.714 0.269 0.364     197.250     270.000       6.428   13 
-    990000      198000.00      28.627     -41.239     -12.613   3.83 0.286 0.556 0.177 0.590     259.717     270.000       7.638   13 
-   1000000      200000.00      32.193     -39.874      -7.681   3.02 0.429 0.600 0.255 0.667     292.069     270.000       7.068   13 
+         0           0.00      30.754     114.718     145.472  12.87 0.000   NaN   NaN 4.850     279.012     310.000      15.552   13 
+     10000        2000.00      33.481     -12.435      21.047   6.16 0.214 0.727 0.248 0.753     303.760     310.000       8.156   13 
+     20000        4000.00      33.838     -20.194      13.644   6.48 0.143 0.800 0.268 0.310     306.998     310.000       7.596   13 
+     30000        6000.00      32.477     -12.162      20.315   6.17 0.143 0.750 0.227 0.180     294.649     310.000       7.550   13 
+     40000        8000.00      27.039     -16.053      10.986   6.52 0.214 0.750 0.231 0.519     245.316     310.000       6.961   13 
+     50000       10000.00      28.788      -7.199      21.589   6.81 0.214 0.571 0.201 0.331     261.178     310.000       8.596   13 
+     60000       12000.00      30.540     -19.354      11.186   5.42 0.071 0.667 0.167 0.419     277.071     310.000       9.267   13 
+     70000       14000.00      26.959     -15.576      11.383   5.68 0.000 1.000 0.258 0.194     244.585     310.000       7.513   13 
+     80000       16000.00      31.154     -12.083      19.071   6.63 0.143 0.667 0.189 0.687     282.648     310.000       8.883   13 
+     90000       18000.00      30.180     -12.351      17.829   6.27 0.143 0.600 0.227 0.282     273.807     310.000       8.461   13 
+    100000       20000.00      30.244     -19.387      10.857   3.03 0.143 0.846 0.343 0.367     274.390     310.000       7.096   13 
+    110000       22000.00      31.790     -23.933       7.858   3.26 0.214 0.800 0.327 0.298     288.419     300.000       6.786   13 
+    120000       24000.00      34.291     -19.989      14.302   3.60 0.286 0.556 0.192 0.688     311.107     300.000       7.256   13 
+    130000       26000.00      24.736     -13.112      11.623   5.11 0.071 0.889 0.293 0.411     224.414     300.000       7.380   13 
+    140000       28000.00      34.534     -31.510       3.024   5.88 0.214 0.786 0.276 0.340     313.309     300.000       6.628   13 
+    150000       30000.00      33.846     -23.915       9.932   4.20 0.214 0.700 0.318 0.907     307.072     300.000       6.922   13 
+    160000       32000.00      30.884     -31.320      -0.437   2.70 0.429 0.400 0.173 0.349     280.194     300.000       7.110   13 
+    170000       34000.00      33.238     -18.148      15.090   3.13 0.143 0.714 0.162 0.522     301.552     300.000       7.381   13 
+    180000       36000.00      32.661     -31.318       1.342   2.86 0.429 0.625 0.327 0.651     296.317     300.000       6.713   13 
+    190000       38000.00      29.384     -22.370       7.013   2.93 0.286 0.692 0.294 0.251     266.584     300.000       7.040   13 
+    200000       40000.00      30.295     -24.448       5.847   4.37 0.286 0.636 0.223 0.662     274.854     300.000       6.600   13 
+    210000       42000.00      26.896     -36.790      -9.895   3.33 0.357 0.706 0.305 0.453     244.012     290.000       6.837   13 
+    220000       44000.00      19.405     -38.583     -19.178   3.07 0.286 0.733 0.333 0.177     176.051     290.000       6.507   13 
+    230000       46000.00      25.879     -34.570      -8.691   3.11 0.357 0.688 0.344 0.821     234.788     290.000       6.341   13 
+    240000       48000.00      36.430     -28.798       7.633   2.91 0.286 0.600 0.182 0.423     330.516     290.000       6.988   13 
+    250000       50000.00      31.105     -24.883       6.222   3.21 0.429 0.538 0.255 0.934     282.199     290.000       6.744   13 
+    260000       52000.00      28.501     -28.000       0.501   2.55 0.357 0.500 0.264 0.967     258.578     290.000       6.752   13 
+    270000       54000.00      23.847     -31.327      -7.480   3.02 0.286 0.667 0.216 0.303     216.350     290.000       6.934   13 
+    280000       56000.00      30.462     -25.106       5.355   2.74 0.357 0.500 0.323 0.519     276.364     290.000       6.891   13 
+    290000       58000.00      33.087     -34.551      -1.464   3.22 0.214 0.727 0.269 0.639     300.184     290.000       6.569   13 
+    300000       60000.00      24.468     -39.278     -14.811   3.55 0.429 0.684 0.344 0.574     221.982     290.000       6.626   13 
+    310000       62000.00      30.240     -32.151      -1.911   3.34 0.286 0.636 0.306 0.274     274.353     290.000       6.563   13 
+    320000       64000.00      26.293     -32.532      -6.239   3.12 0.143 0.818 0.314 0.637     238.541     290.000       6.879   13 
+    330000       66000.00      31.540     -27.233       4.307   3.99 0.214 0.769 0.336 0.377     286.148     290.000       6.494   13 
+    340000       68000.00      27.929     -33.774      -5.845   3.10 0.429 0.600 0.270 0.321     253.388     290.000       6.500   13 
+    350000       70000.00      29.707     -26.072       3.635   5.72 0.357 0.500 0.186 0.130     269.513     290.000       7.731   13 
+    360000       72000.00      30.673     -34.254      -3.582   2.92 0.286 0.636 0.306 0.794     278.280     290.000       6.770   13 
+    370000       74000.00      32.702     -31.240       1.462   2.37 0.429 0.600 0.309 0.361     296.687     290.000       7.031   13 
+    380000       76000.00      33.894     -35.200      -1.306   3.14 0.286 0.765 0.326 0.266     307.503     290.000       6.416   13 
+    390000       78000.00      26.661     -32.498      -5.837   3.49 0.286 0.600 0.464 0.585     241.885     290.000       6.656   13 
+    400000       80000.00      29.672     -29.635       0.037   2.77 0.286 0.667 0.216 0.411     269.196     290.000       7.071   13 
+    410000       82000.00      29.130     -46.296     -17.165   2.78 0.286 0.765 0.377 1.163     264.285     280.000       6.109   13 
+    420000       84000.00      27.187     -31.202      -4.016   2.84 0.286 0.556 0.157 0.810     246.652     280.000       7.211   13 
+    430000       86000.00      25.244     -42.771     -17.527   2.56 0.286 0.692 0.308 1.180     229.031     280.000       6.572   13 
+    440000       88000.00      34.526     -28.501       6.025   3.13 0.214 0.750 0.227 0.497     313.240     280.000       7.291   13 
+    450000       90000.00      26.304     -46.854     -20.550   3.19 0.429 0.667 0.331 0.326     238.642     280.000       6.669   13 
+    460000       92000.00      30.900     -36.251      -5.351   3.25 0.429 0.571 0.192 0.974     280.343     280.000       7.504   13 
+    470000       94000.00      31.435     -37.047      -5.612   3.77 0.357 0.667 0.355 0.898     285.193     280.000       6.485   13 
+    480000       96000.00      28.076     -41.931     -13.854   3.61 0.286 0.692 0.259 0.405     254.722     280.000       6.383   13 
+    490000       98000.00      39.232     -37.990       1.242   2.93 0.214 0.727 0.260 0.743     355.933     280.000       6.975   13 
+    500000      100000.00      38.697     -36.299       2.398   2.87 0.214 0.750 0.205 0.409     351.078     280.000       6.834   13 
+    510000      102000.00      24.556     -25.210      -0.654   2.79 0.286 0.714 0.331 0.599     222.781     290.000       6.892   13 
+    520000      104000.00      32.951     -36.322      -3.371   2.79 0.214 0.727 0.277 0.649     298.953     290.000       7.007   13 
+    530000      106000.00      33.109     -34.108      -0.999   2.48 0.286 0.636 0.277 0.311     300.386     290.000       6.845   13 
+    540000      108000.00      29.975     -23.665       6.310   4.18 0.143 0.846 0.308 0.347     271.952     290.000       6.867   13 
+    550000      110000.00      30.495     -39.970      -9.475   3.11 0.357 0.643 0.234 0.380     276.664     290.000       6.807   13 
+    560000      112000.00      31.641     -21.212      10.428   5.36 0.214 0.625 0.188 0.446     287.062     290.000       9.032   13 
+    570000      114000.00      35.597     -16.234      19.363   6.70 0.214 0.727 0.260 1.232     322.956     290.000       8.337   13 
+    580000      116000.00      34.266     -30.099       4.167   5.48 0.071 0.933 0.294 0.600     310.878     290.000       7.149   13 
+    590000      118000.00      27.070     -35.011      -7.941   6.04 0.143 0.875 0.310 0.295     245.591     290.000       6.378   13 
+    600000      120000.00      26.982     -30.125      -3.143   4.12 0.357 0.545 0.165 0.531     244.795     290.000       7.911   13 
+    610000      122000.00      33.456     -29.269       4.187   3.02 0.286 0.636 0.260 0.386     303.526     290.000       7.119   13 
+    620000      124000.00      26.956     -35.003      -8.047   2.46 0.286 0.692 0.213 0.354     244.560     290.000       6.981   13 
+    630000      126000.00      28.959     -37.279      -8.320   2.53 0.571 0.529 0.235 0.367     262.733     290.000       6.977   13 
+    640000      128000.00      27.299     -30.466      -3.167   2.96 0.214 0.812 0.301 0.994     247.672     290.000       6.459   13 
+    650000      130000.00      42.100     -34.851       7.248   2.87 0.429 0.625 0.281 1.482     381.949     290.000       6.788   13 
+    660000      132000.00      28.188     -43.044     -14.856   2.72 0.214 0.786 0.347 0.382     255.733     290.000       6.581   13 
+    670000      134000.00      30.505     -34.257      -3.752   2.71 0.214 0.786 0.344 0.538     276.754     290.000       6.592   13 
+    680000      136000.00      25.353     -29.653      -4.300   2.85 0.286 0.714 0.256 0.483     230.012     290.000       6.764   13 
+    690000      138000.00      30.457     -27.084       3.373   2.86 0.214 0.571 0.240 0.687     276.322     290.000       7.037   13 
+    700000      140000.00      25.194     -32.685      -7.492   3.15 0.357 0.500 0.218 0.854     228.571     290.000       7.458   13 
+    710000      142000.00      28.627     -34.266      -5.639   2.81 0.214 0.700 0.300 0.457     259.717     290.000       7.011   13 
+    720000      144000.00      30.581     -24.608       5.972   3.30 0.143 0.778 0.242 0.417     277.442     290.000       6.652   13 
+    730000      146000.00      35.125     -33.250       1.875   5.26 0.286 0.500 0.165 1.021     318.672     290.000       9.056   13 
+    740000      148000.00      23.040     -30.815      -7.775   3.51 0.286 0.636 0.289 0.518     209.035     290.000       7.061   13 
+    750000      150000.00      28.407     -15.036      13.371   4.78 0.143 0.667 0.167 1.327     257.723     290.000       8.614   13 
+    760000      152000.00      41.227     -27.387      13.840   2.93 0.214 0.700 0.159 0.574     374.035     290.000       7.487   13 
+    770000      154000.00      31.514     -29.512       2.002   3.08 0.357 0.615 0.241 0.217     285.910     290.000       6.612   13 
+    780000      156000.00      31.363     -31.593      -0.230   3.09 0.286 0.692 0.227 0.369     284.538     290.000       6.866   13 
+    790000      158000.00      27.987     -20.889       7.097   2.79 0.357 0.444 0.202 0.389     253.908     290.000       7.296   13 
+    800000      160000.00      23.447     -23.692      -0.245   2.89 0.286 0.636 0.252 0.884     212.721     290.000       7.074   13 
+    810000      162000.00      29.434     -27.664       1.770   2.94 0.214 0.750 0.242 0.325     267.042     290.000       6.778   13 
+    820000      164000.00      26.229     -21.755       4.474   3.05 0.143 0.800 0.286 0.328     237.961     290.000       6.717   13 
+    830000      166000.00      28.935     -32.492      -3.557   3.98 0.286 0.636 0.269 0.459     262.515     290.000       6.511   13 
+    840000      168000.00      34.847     -25.066       9.781   3.84 0.286 0.714 0.253 0.492     316.151     290.000       7.050   13 
+    850000      170000.00      30.730     -32.541      -1.811   3.36 0.214 0.750 0.254 0.550     278.800     290.000       7.019   13 
+    860000      172000.00      31.997     -37.168      -5.172   3.80 0.071 0.929 0.231 0.355     290.291     290.000       6.570   13 
+    870000      174000.00      37.715     -27.779       9.936   5.51 0.214 0.700 0.168 1.687     342.170     290.000       8.532   13 
+    880000      176000.00      26.361     -34.176      -7.815   3.68 0.429 0.500 0.216 0.607     239.161     290.000       6.905   13 
+    890000      178000.00      30.512     -22.842       7.670   6.02 0.071 0.833 0.174 0.678     276.819     290.000       9.043   13 
+    900000      180000.00      30.128     -27.876       2.252   3.19 0.143 0.800 0.218 0.566     273.340     290.000       6.999   13 
+    910000      182000.00      26.858     -28.525      -1.667   4.18 0.357 0.615 0.178 1.050     243.669     290.000       7.626   13 
+    920000      184000.00      27.660     -36.128      -8.468   3.60 0.429 0.647 0.219 0.808     250.942     290.000       6.850   13 
+    930000      186000.00      32.942     -29.722       3.220   4.74 0.143 0.778 0.182 0.236     298.867     290.000       8.129   13 
+    940000      188000.00      29.583     -28.029       1.554   3.23 0.357 0.667 0.264 0.235     268.394     290.000       6.864   13 
+    950000      190000.00      26.863     -29.194      -2.331   4.45 0.143 0.778 0.182 0.594     243.716     290.000       8.164   13 
+    960000      192000.00      34.064     -28.031       6.033   3.28 0.214 0.750 0.220 0.339     309.049     290.000       6.753   13 
+    970000      194000.00      26.915     -26.963      -0.048   3.61 0.214 0.786 0.227 0.197     244.188     290.000       7.138   13 
+    980000      196000.00      25.666     -29.059      -3.393   4.57 0.286 0.600 0.168 0.122     232.859     290.000       7.866   13 
+    990000      198000.00      33.827     -33.637       0.190   4.06 0.357 0.545 0.186 0.285     306.897     290.000       7.423   13 
+   1000000      200000.00      33.636     -27.221       6.415   3.29 0.357 0.643 0.250 0.839     305.160     290.000       6.701   13 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB014.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB014.stat
index de07cf8..45a124f 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB014.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB014.stat
@@ -1,101 +1,101 @@
-         0           0.00      38.716     115.789     154.505  12.87 0.000   NaN   NaN 4.850     351.251     280.000      15.552   14 
-     10000        2000.00      28.431     -24.184       4.247   5.05 0.000 1.000 0.295 0.774     257.942     280.000       7.672   14 
-     20000        4000.00      30.853     -32.084      -1.231   6.76 0.286 0.600 0.173 0.449     279.919     280.000       8.950   14 
-     30000        6000.00      27.400     -29.671      -2.271   3.70 0.357 0.688 0.239 0.537     248.587     280.000       7.068   14 
-     40000        8000.00      24.712     -31.281      -6.569   5.97 0.286 0.636 0.198 0.387     224.201     280.000       8.507   14 
-     50000       10000.00      27.812     -29.595      -1.783   5.89 0.286 0.600 0.159 0.368     252.325     280.000       9.224   14 
-     60000       12000.00      32.633     -30.994       1.639   4.08 0.357 0.688 0.207 0.402     296.067     280.000       7.456   14 
-     70000       14000.00      25.900     -38.187     -12.287   4.56 0.286 0.765 0.449 0.215     234.980     280.000       6.561   14 
-     80000       16000.00      26.260     -34.383      -8.124   4.09 0.429 0.667 0.351 0.161     238.241     280.000       6.573   14 
-     90000       18000.00      30.157     -34.810      -4.653   3.94 0.357 0.667 0.418 0.253     273.603     280.000       6.447   14 
-    100000       20000.00      33.041     -40.492      -7.451   3.94 0.357 0.706 0.350 0.746     299.762     280.000       6.535   14 
-    110000       22000.00      29.162     -30.185      -1.024   3.85 0.286 0.692 0.255 0.310     264.571     280.000       6.866   14 
-    120000       24000.00      29.882     -34.788      -4.906   4.16 0.286 0.600 0.309 0.260     271.104     280.000       7.050   14 
-    130000       26000.00      35.701     -33.446       2.255   3.89 0.286 0.733 0.279 0.572     323.897     280.000       6.556   14 
-    140000       28000.00      27.790     -36.757      -8.967   4.02 0.429 0.647 0.356 0.215     252.122     280.000       6.656   14 
-    150000       30000.00      28.174     -29.574      -1.401   3.91 0.286 0.600 0.173 0.876     255.606     280.000       8.069   14 
-    160000       32000.00      30.576     -28.447       2.129   4.63 0.286 0.600 0.173 0.816     277.404     280.000       8.272   14 
-    170000       34000.00      25.406     -37.991     -12.586   4.57 0.214 0.700 0.182 0.459     230.493     280.000       8.174   14 
-    180000       36000.00      22.121     -24.262      -2.141   6.20 0.357 0.643 0.185 0.465     200.694     280.000       7.994   14 
-    190000       38000.00      31.393     -16.556      14.836   7.13 0.071 0.833 0.144 0.929     284.812     280.000       9.239   14 
-    200000       40000.00      27.252     -24.578       2.673   6.54 0.286 0.714 0.205 1.279     247.243     280.000       7.689   14 
-    210000       42000.00      41.833     -21.113      20.720   4.78 0.214 0.800 0.291 0.698     379.534     320.000       6.720   14 
-    220000       44000.00      33.892     -12.802      21.090   4.72 0.143 0.667 0.265 0.479     307.483     320.000       7.138   14 
-    230000       46000.00      25.543      -8.827      16.717   4.09 0.214 0.727 0.421 0.535     231.743     320.000       6.624   14 
-    240000       48000.00      38.515      -9.845      28.670   4.94 0.214 0.625 0.165 0.309     349.425     320.000       7.539   14 
-    250000       50000.00      37.481     -21.922      15.559   4.83 0.214 0.812 0.281 0.542     340.048     320.000       6.808   14 
-    260000       52000.00      30.205       5.222      35.427   6.25 0.214 0.727 0.231 0.425     274.033     320.000       7.334   14 
-    270000       54000.00      29.562      -0.826      28.736   4.88 0.143 0.667 0.174 0.308     268.202     320.000       8.838   14 
-    280000       56000.00      39.357     -12.670      26.687   4.04 0.286 0.667 0.333 0.446     357.071     320.000       6.542   14 
-    290000       58000.00      32.192      -9.946      22.247   3.75 0.214 0.700 0.214 0.383     292.067     320.000       7.875   14 
-    300000       60000.00      32.154     -21.737      10.417   3.55 0.143 0.750 0.477 1.239     291.718     320.000       7.090   14 
-    310000       62000.00      35.496     -23.246      12.250   3.49 0.286 0.667 0.352 0.496     322.039     310.000       6.784   14 
-    320000       64000.00      25.115     -15.541       9.575   4.48 0.214 0.667 0.278 0.408     227.858     310.000       6.746   14 
-    330000       66000.00      25.840     -25.320       0.520   3.28 0.143 0.833 0.398 0.331     234.430     310.000       6.829   14 
-    340000       68000.00      31.002     -18.563      12.439   3.45 0.214 0.625 0.159 0.385     281.266     310.000       7.849   14 
-    350000       70000.00      31.256     -27.803       3.453   3.09 0.286 0.714 0.318 0.869     283.570     310.000       6.531   14 
-    360000       72000.00      36.804     -24.767      12.037   2.91 0.286 0.500 0.301 0.318     333.905     310.000       7.070   14 
-    370000       74000.00      27.680     -15.552      12.128   4.33 0.143 0.778 0.192 0.462     251.129     310.000       8.019   14 
-    380000       76000.00      28.161     -13.033      15.128   5.92 0.143 0.714 0.169 0.861     255.492     310.000       8.623   14 
-    390000       78000.00      27.580     -20.828       6.752   2.86 0.214 0.750 0.360 0.901     250.220     310.000       7.280   14 
-    400000       80000.00      36.001      -6.854      29.147   5.62 0.143 0.667 0.182 0.551     326.624     310.000       9.600   14 
-    410000       82000.00      29.326      -9.585      19.741   6.04 0.143 0.714 0.182 0.398     266.063     320.000       9.312   14 
-    420000       84000.00      27.501     -20.066       7.435   4.96 0.143 0.778 0.197 0.342     249.502     320.000       7.813   14 
-    430000       86000.00      33.072      -7.117      25.955   4.52 0.071 0.889 0.273 0.504     300.050     320.000       7.006   14 
-    440000       88000.00      38.253     -13.551      24.702   5.99 0.286 0.667 0.223 0.561     347.048     320.000       7.594   14 
-    450000       90000.00      34.086     -12.575      21.511   4.44 0.143 0.714 0.214 0.910     309.247     320.000       7.433   14 
-    460000       92000.00      35.202     -19.993      15.209   3.65 0.143 0.846 0.280 0.393     319.372     320.000       6.898   14 
-    470000       94000.00      36.955      -8.753      28.202   5.88 0.143 0.750 0.239 0.247     335.271     320.000       7.790   14 
-    480000       96000.00      31.762     -14.352      17.410   4.43 0.214 0.750 0.292 0.415     288.163     320.000       6.999   14 
-    490000       98000.00      35.411      -7.834      27.577   2.69 0.357 0.545 0.264 0.269     321.265     320.000       7.255   14 
-    500000      100000.00      37.668     -12.560      25.107   5.49 0.071 0.875 0.256 1.160     341.740     320.000       7.421   14 
-    510000      102000.00      39.401     -13.245      26.156   7.40 0.000 1.000 0.386 0.748     357.466     320.000       8.535   14 
-    520000      104000.00      33.969     -24.646       9.322   3.27 0.429 0.600 0.306 0.509     308.181     320.000       6.477   14 
-    530000      106000.00      32.601     -21.586      11.015   5.34 0.286 0.750 0.239 0.402     295.772     320.000       6.675   14 
-    540000      108000.00      31.320     -20.905      10.415   3.75 0.214 0.700 0.291 0.303     284.151     320.000       7.612   14 
-    550000      110000.00      29.339     -15.812      13.527   2.63 0.286 0.636 0.285 0.314     266.179     320.000       6.864   14 
-    560000      112000.00      36.764     -17.915      18.849   4.04 0.143 0.800 0.205 0.889     333.543     320.000       7.408   14 
-    570000      114000.00      38.073     -10.329      27.745   4.72 0.143 0.818 0.409 0.474     345.420     320.000       6.932   14 
-    580000      116000.00      29.207     -16.201      13.006   3.24 0.357 0.583 0.178 0.512     264.983     320.000       7.354   14 
-    590000      118000.00      31.908      -7.901      24.006   6.71 0.143 0.778 0.217 0.852     289.484     320.000       8.502   14 
-    600000      120000.00      36.579     -15.153      21.426   4.73 0.286 0.500 0.205 0.415     331.864     320.000       7.203   14 
-    610000      122000.00      34.056     -15.274      18.782   3.55 0.214 0.786 0.328 0.619     308.972     320.000       7.106   14 
-    620000      124000.00      34.270     -15.603      18.666   5.43 0.071 0.929 0.364 0.291     310.911     320.000       7.249   14 
-    630000      126000.00      35.771      -4.591      31.180   6.47 0.143 0.714 0.240 0.842     324.529     320.000       8.394   14 
-    640000      128000.00      37.496      -0.361      37.135   6.52 0.286 0.600 0.232 0.403     340.187     320.000       7.822   14 
-    650000      130000.00      36.292     -14.796      21.496   3.22 0.286 0.667 0.386 0.617     329.257     320.000       7.068   14 
-    660000      132000.00      39.604     -12.961      26.643   2.97 0.214 0.700 0.345 0.717     359.308     320.000       7.360   14 
-    670000      134000.00      31.277     -13.648      17.630   4.01 0.286 0.714 0.325 0.248     283.764     320.000       6.892   14 
-    680000      136000.00      26.453      -8.056      18.397   5.07 0.143 0.667 0.197 0.552     239.998     320.000       8.189   14 
-    690000      138000.00      32.819      -7.599      25.220   5.47 0.143 0.800 0.314 0.729     297.749     320.000       7.518   14 
-    700000      140000.00      34.144     -13.787      20.357   3.50 0.286 0.600 0.277 0.289     309.776     320.000       7.937   14 
-    710000      142000.00      34.827     -16.826      18.001   3.52 0.143 0.778 0.303 0.787     315.967     320.000       7.051   14 
-    720000      144000.00      30.671      -4.028      26.643   6.58 0.071 0.900 0.205 0.261     278.261     320.000       8.786   14 
-    730000      146000.00      35.673     -17.852      17.821   5.40 0.286 0.667 0.356 0.837     323.642     320.000       7.396   14 
-    740000      148000.00      38.947     -17.700      21.247   5.55 0.357 0.545 0.194 0.277     353.345     320.000       7.731   14 
-    750000      150000.00      38.452     -10.188      28.264   6.08 0.143 0.833 0.341 0.917     348.859     320.000       6.507   14 
-    760000      152000.00      37.711      -5.760      31.951   7.13 0.143 0.667 0.174 0.420     342.134     320.000       9.145   14 
-    770000      154000.00      42.718     -14.131      28.587   3.84 0.214 0.625 0.193 1.250     387.564     320.000       6.872   14 
-    780000      156000.00      34.833     -18.254      16.580   4.19 0.214 0.727 0.380 0.473     316.026     320.000       6.467   14 
-    790000      158000.00      27.938     -15.993      11.945   4.18 0.286 0.500 0.148 0.492     253.470     320.000       8.272   14 
-    800000      160000.00      33.495     -12.478      21.017   5.27 0.071 0.889 0.197 0.632     303.887     320.000       8.270   14 
-    810000      162000.00      29.541     -22.923       6.618   2.99 0.143 0.750 0.301 0.170     268.007     310.000       7.273   14 
-    820000      164000.00      38.975     -20.047      18.928   4.98 0.143 0.800 0.227 1.108     353.604     310.000       7.560   14 
-    830000      166000.00      36.443     -10.518      25.926   5.03 0.071 0.900 0.205 1.385     330.633     310.000       7.686   14 
-    840000      168000.00      35.737     -12.628      23.110   3.82 0.214 0.800 0.306 0.905     324.228     310.000       6.783   14 
-    850000      170000.00      24.731     -13.271      11.460   4.97 0.143 0.778 0.379 0.742     224.368     310.000       7.499   14 
-    860000      172000.00      40.924     -16.255      24.669   5.76 0.071 0.800 0.236 0.529     371.287     310.000       8.392   14 
-    870000      174000.00      41.447     -19.270      22.177   5.39 0.357 0.706 0.281 0.394     376.026     310.000       6.660   14 
-    880000      176000.00      23.681      -9.956      13.725   7.10 0.143 0.778 0.202 0.652     214.850     310.000       8.516   14 
-    890000      178000.00      35.259     -16.679      18.580   4.16 0.143 0.818 0.186 0.453     319.887     310.000       7.992   14 
-    900000      180000.00      34.397     -29.282       5.115   3.80 0.357 0.667 0.424 0.964     312.070     310.000       6.249   14 
-    910000      182000.00      26.233     -27.353      -1.120   3.01 0.214 0.625 0.335 0.335     237.996     290.000       7.610   14 
-    920000      184000.00      33.223     -38.903      -5.681   3.15 0.357 0.722 0.328 0.972     301.414     290.000       6.424   14 
-    930000      186000.00      31.435     -31.383       0.052   2.92 0.357 0.688 0.324 0.478     285.192     290.000       6.742   14 
-    940000      188000.00      34.335     -32.089       2.246   3.17 0.429 0.647 0.324 0.601     311.501     290.000       6.319   14 
-    950000      190000.00      36.108     -32.827       3.281   2.91 0.214 0.700 0.364 0.276     327.588     290.000       6.875   14 
-    960000      192000.00      31.422     -26.984       4.438   2.84 0.214 0.812 0.341 0.271     285.075     290.000       7.033   14 
-    970000      194000.00      38.604     -36.827       1.777   2.87 0.500 0.588 0.374 0.410     350.235     290.000       6.925   14 
-    980000      196000.00      27.662     -32.197      -4.534   2.71 0.357 0.722 0.230 0.416     250.968     290.000       6.826   14 
-    990000      198000.00      35.136     -36.054      -0.918   2.61 0.429 0.500 0.197 0.300     318.769     290.000       6.801   14 
-   1000000      200000.00      26.222     -32.296      -6.074   2.98 0.357 0.667 0.221 0.246     237.903     290.000       6.711   14 
+         0           0.00      44.247     114.373     158.620  12.87 0.000   NaN   NaN 4.850     401.430     320.000      15.552   14 
+     10000        2000.00      27.753      -8.738      19.015   6.12 0.071 0.833 0.235 0.679     251.788     320.000       8.572   14 
+     20000        4000.00      32.823      -8.817      24.006   4.83 0.214 0.769 0.367 0.743     297.783     320.000       7.291   14 
+     30000        6000.00      30.354      -0.662      29.691   4.00 0.214 0.750 0.239 0.403     275.383     320.000       6.834   14 
+     40000        8000.00      26.501     -13.307      13.194   4.60 0.214 0.700 0.459 1.395     240.427     320.000       7.149   14 
+     50000       10000.00      35.480     -14.459      21.021   3.42 0.214 0.786 0.357 0.611     321.897     320.000       6.782   14 
+     60000       12000.00      36.747     -17.685      19.062   3.78 0.143 0.800 0.209 0.337     333.390     320.000       7.771   14 
+     70000       14000.00      28.926     -15.286      13.639   2.27 0.143 0.750 0.182 0.311     262.428     320.000       6.967   14 
+     80000       16000.00      31.258     -27.652       3.607   3.26 0.143 0.846 0.343 0.718     283.592     320.000       6.636   14 
+     90000       18000.00      31.207     -13.325      17.882   3.93 0.143 0.714 0.195 0.598     283.123     320.000       7.738   14 
+    100000       20000.00      40.470     -19.527      20.943   6.43 0.214 0.667 0.182 0.872     367.161     320.000       8.576   14 
+    110000       22000.00      31.438     -11.995      19.443   3.74 0.214 0.625 0.182 0.512     285.223     310.000       8.386   14 
+    120000       24000.00      32.358      -0.833      31.525   7.46 0.071 0.500 0.227 0.399     293.566     310.000       9.620   14 
+    130000       26000.00      40.529     -14.719      25.811   7.19 0.214 0.700 0.250 0.579     367.704     310.000       7.806   14 
+    140000       28000.00      33.709      -5.864      27.845   4.45 0.214 0.700 0.195 1.079     305.829     310.000       8.194   14 
+    150000       30000.00      32.618      -6.836      25.781   4.55 0.071 0.857 0.214 1.260     295.924     310.000       8.165   14 
+    160000       32000.00      33.262     -18.482      14.780   7.21 0.214 0.500 0.197 0.366     301.768     310.000       8.666   14 
+    170000       34000.00      27.288      -6.680      20.608   6.58 0.071 0.800 0.218 0.334     247.571     310.000       8.535   14 
+    180000       36000.00      25.052     -16.517       8.535   6.19 0.143 0.667 0.311 1.067     227.287     310.000       7.658   14 
+    190000       38000.00      31.364     -15.943      15.420   4.44 0.214 0.667 0.212 0.670     284.546     310.000       7.393   14 
+    200000       40000.00      31.131      -9.303      21.828   4.47 0.214 0.700 0.327 0.290     282.438     310.000       7.183   14 
+    210000       42000.00      48.329       2.920      51.249   5.94 0.071 0.875 0.318 0.474     438.464     340.000       8.495   14 
+    220000       44000.00      35.020       0.907      35.928   8.63 0.143 0.500 0.193 0.783     317.722     340.000      10.976   14 
+    230000       46000.00      29.106      -2.037      27.070   5.01 0.000 1.000 0.220 0.196     264.067     340.000       8.072   14 
+    240000       48000.00      40.794      -0.146      40.647   3.61 0.143 0.800 0.377 0.567     370.103     340.000       7.423   14 
+    250000       50000.00      40.458       8.481      48.939   4.79 0.143 0.818 0.417 0.317     367.057     340.000       6.820   14 
+    260000       52000.00      33.496       1.009      34.505   5.41 0.143 0.818 0.413 0.885     303.892     340.000       6.910   14 
+    270000       54000.00      32.090      -6.747      25.343   4.96 0.143 0.833 0.413 0.412     291.134     340.000       8.165   14 
+    280000       56000.00      41.304      -7.082      34.222   7.35 0.214 0.571 0.149 0.482     374.728     340.000      10.359   14 
+    290000       58000.00      36.931      -0.515      36.416   6.30 0.071 0.900 0.364 0.646     335.061     340.000       7.769   14 
+    300000       60000.00      35.152     -10.561      24.591   3.58 0.214 0.571 0.227 0.549     318.917     340.000       7.231   14 
+    310000       62000.00      35.278     -14.178      21.101   4.91 0.214 0.750 0.295 0.456     320.064     320.000       7.045   14 
+    320000       64000.00      23.987     -27.287      -3.300   2.60 0.286 0.714 0.338 0.250     217.625     320.000       6.681   14 
+    330000       66000.00      26.843     -14.954      11.890   4.99 0.214 0.700 0.464 0.305     243.537     320.000       7.860   14 
+    340000       68000.00      28.904      -9.266      19.638   5.59 0.071 0.909 0.326 0.430     262.232     320.000       6.966   14 
+    350000       70000.00      35.278     -10.325      24.953   5.07 0.214 0.667 0.227 0.378     320.065     320.000       8.451   14 
+    360000       72000.00      35.231      -4.980      30.252   4.91 0.214 0.727 0.355 0.849     319.637     320.000       6.671   14 
+    370000       74000.00      29.706     -13.927      15.779   5.88 0.214 0.700 0.214 0.609     269.505     320.000       8.261   14 
+    380000       76000.00      30.393      -7.467      22.926   3.60 0.000 1.000 0.386 0.324     275.742     320.000       7.276   14 
+    390000       78000.00      28.339     -12.419      15.920   3.40 0.214 0.667 0.354 0.840     257.108     320.000       7.329   14 
+    400000       80000.00      35.034      -4.374      30.660   5.60 0.071 0.750 0.420 0.588     317.847     320.000       7.929   14 
+    410000       82000.00      30.480       8.443      38.923   5.02 0.143 0.600 0.345 0.750     276.531     350.000       7.250   14 
+    420000       84000.00      31.367       3.229      34.596   5.62 0.071 0.750 0.216 0.821     284.577     350.000       7.787   14 
+    430000       86000.00      33.317      -1.812      31.505   4.19 0.143 0.667 0.174 0.381     302.270     350.000       8.592   14 
+    440000       88000.00      37.282       7.325      44.606   6.49 0.071 0.833 0.258 0.400     338.238     350.000       8.210   14 
+    450000       90000.00      32.024       8.209      40.232   4.63 0.143 0.714 0.318 0.581     290.538     350.000       8.306   14 
+    460000       92000.00      34.199      16.016      50.215   6.20 0.071 0.750 0.170 0.399     310.275     350.000       9.177   14 
+    470000       94000.00      40.183       1.837      42.020   5.54 0.143 0.600 0.409 0.523     364.559     350.000       7.826   14 
+    480000       96000.00      36.194       7.547      43.741   6.59 0.214 0.727 0.236 0.401     328.367     350.000       7.911   14 
+    490000       98000.00      39.248       2.128      41.376   4.00 0.000 1.000 0.200 0.701     356.078     350.000       7.695   14 
+    500000      100000.00      40.374      -0.754      39.620   6.18 0.000 1.000 0.227 0.721     366.291     350.000      10.080   14 
+    510000      102000.00      39.875       7.250      47.125   7.36 0.000 1.000 0.307 1.061     361.768     340.000       9.314   14 
+    520000      104000.00      35.542      -0.075      35.467   5.00 0.143 0.600 0.309 0.804     322.455     340.000       8.346   14 
+    530000      106000.00      35.879      -6.579      29.300   4.31 0.143 0.800 0.182 1.149     325.513     340.000       8.897   14 
+    540000      108000.00      31.125      -3.328      27.797   5.59 0.214 0.400 0.182 0.677     282.382     340.000       8.965   14 
+    550000      110000.00      33.359      -6.096      27.263   4.11 0.286 0.636 0.384 0.373     302.653     340.000       7.726   14 
+    560000      112000.00      41.201       0.506      41.708   5.58 0.071 0.833 0.409 0.878     373.798     340.000       7.942   14 
+    570000      114000.00      43.318      -1.220      42.098   5.87 0.143 0.500 0.205 0.327     393.006     340.000       9.198   14 
+    580000      116000.00      26.143      -0.684      25.460   6.05 0.071 0.833 0.250 0.853     237.186     340.000       7.824   14 
+    590000      118000.00      33.293     -12.371      20.922   4.41 0.143 0.857 0.318 0.457     302.051     340.000       7.068   14 
+    600000      120000.00      37.191      -8.170      29.021   6.67 0.143 0.667 0.167 0.505     337.413     340.000       9.602   14 
+    610000      122000.00      35.063      -2.702      32.361   3.33 0.143 0.667 0.386 0.240     318.111     340.000       7.463   14 
+    620000      124000.00      34.664       6.301      40.965   4.79 0.000 1.000 0.258 0.698     314.492     340.000       7.654   14 
+    630000      126000.00      35.673      -3.852      31.821   3.81 0.071 0.857 0.240 0.348     323.640     340.000       7.559   14 
+    640000      128000.00      36.599      -2.167      34.432   4.34 0.357 0.615 0.304 0.846     332.042     340.000       7.110   14 
+    650000      130000.00      36.268     -10.553      25.715   4.01 0.214 0.700 0.355 0.214     329.041     340.000       7.254   14 
+    660000      132000.00      40.576      -8.391      32.185   5.22 0.071 0.889 0.480 0.744     368.129     340.000       6.581   14 
+    670000      134000.00      31.861      -7.897      23.964   5.57 0.000 1.000 0.264 0.517     289.057     340.000       8.677   14 
+    680000      136000.00      27.999       8.907      36.905   4.39 0.000 1.000 0.307 0.498     254.019     340.000       7.833   14 
+    690000      138000.00      36.961       8.009      44.970   4.56 0.071 0.889 0.348 0.803     335.329     340.000       6.903   14 
+    700000      140000.00      32.897      10.860      43.757   6.46 0.071 0.833 0.212 0.912     298.462     340.000       8.624   14 
+    710000      142000.00      43.290      11.694      54.984   7.01 0.000 1.000 0.369 0.427     392.749     390.000       7.759   14 
+    720000      144000.00      39.023      19.376      58.399   4.85 0.071 0.857 0.318 0.465     354.035     390.000       7.741   14 
+    730000      146000.00      43.961       8.300      52.260   5.57 0.143 0.714 0.312 1.449     398.834     390.000       7.873   14 
+    740000      148000.00      43.893      13.691      57.584  10.26 0.071 0.000 0.136 0.638     398.223     390.000      14.338   14 
+    750000      150000.00      51.957       4.843      56.800   4.96 0.214 0.625 0.295 0.507     471.383     390.000       8.264   14 
+    760000      152000.00      43.616      24.533      68.149   8.17 0.000 1.000 0.261 0.727     395.707     390.000      11.522   14 
+    770000      154000.00      50.850      21.351      72.201   8.58 0.143 0.500 0.170 0.318     461.339     390.000      11.027   14 
+    780000      156000.00      41.598      10.381      51.979   5.34 0.000 1.000 0.455 0.435     377.399     390.000       9.247   14 
+    790000      158000.00      33.232       3.412      36.644   4.99 0.071 0.750 0.284 0.294     301.501     390.000       8.634   14 
+    800000      160000.00      40.892       9.025      49.916   6.74 0.000 1.000 0.250 0.532     370.991     390.000       8.285   14 
+    810000      162000.00      39.920      19.616      59.536   6.07 0.143 0.500 0.182 0.215     362.175     370.000       9.724   14 
+    820000      164000.00      44.581       3.992      48.574   6.94 0.071 0.667 0.182 0.347     404.466     370.000      11.086   14 
+    830000      166000.00      46.215      16.879      63.093   6.23 0.143 0.000 0.136 0.536     419.284     370.000      10.714   14 
+    840000      168000.00      42.565       5.724      48.289   7.34 0.071 0.800 0.182 0.540     386.172     370.000      11.316   14 
+    850000      170000.00      31.054       9.794      40.848   5.91 0.071 0.889 0.379 0.268     281.742     370.000       8.238   14 
+    860000      172000.00      46.917       3.347      50.265   7.51 0.071 0.800 0.318 0.530     425.658     370.000       7.192   14 
+    870000      174000.00      48.212       5.054      53.266   6.73 0.143 0.333 0.167 0.608     437.404     370.000       9.772   14 
+    880000      176000.00      34.978      17.152      52.130   4.91 0.071 0.750 0.216 0.238     317.339     370.000       8.972   14 
+    890000      178000.00      39.415       9.294      48.709   4.56 0.071 0.750 0.216 1.140     357.596     370.000       8.234   14 
+    900000      180000.00      37.227       4.696      41.923   5.33 0.143 0.600 0.291 0.612     337.743     370.000       7.745   14 
+    910000      182000.00      32.527      16.003      48.530   7.68 0.071 0.667 0.197 0.535     295.099     360.000       9.559   14 
+    920000      184000.00      42.200       3.131      45.330   6.23 0.071 0.833 0.348 0.744     382.856     360.000       9.129   14 
+    930000      186000.00      40.153       8.351      48.504   4.95 0.000 1.000 0.266 0.994     364.289     360.000       8.905   14 
+    940000      188000.00      45.884      13.091      58.975   7.90 0.143 0.000 0.136 0.510     416.285     360.000      11.317   14 
+    950000      190000.00      39.967      15.498      55.465   6.01 0.071 0.800 0.291 0.566     362.605     360.000       8.567   14 
+    960000      192000.00      37.974       6.448      44.421   5.37 0.143 0.600 0.164 1.125     344.518     360.000       9.281   14 
+    970000      194000.00      43.321       3.492      46.812   7.03 0.000 1.000 0.273 0.734     393.026     360.000       7.591   14 
+    980000      196000.00      34.840      12.024      46.864   7.31 0.000 1.000 0.167 0.430     316.082     360.000      10.558   14 
+    990000      198000.00      40.246      11.730      51.976   6.85 0.071 0.750 0.352 0.442     365.132     360.000       8.845   14 
+   1000000      200000.00      32.818     -11.709      21.109   5.79 0.071 0.889 0.253 1.036     297.746     360.000       7.445   14 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB015.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB015.stat
index 64f27a2..4d15144 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB015.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB015.stat
@@ -1,101 +1,101 @@
-         0           0.00      29.259     115.789     145.048  12.87 0.000   NaN   NaN 4.850     265.449     280.000      15.552   15 
-     10000        2000.00      26.705     -28.766      -2.061   4.74 0.071 0.889 0.303 0.534     242.280     280.000       7.309   15 
-     20000        4000.00      22.110     -20.466       1.643   5.21 0.071 0.900 0.391 0.356     200.589     280.000       7.460   15 
-     30000        6000.00      26.579     -38.321     -11.742   5.30 0.214 0.750 0.462 0.380     241.139     280.000       7.396   15 
-     40000        8000.00      26.744     -32.445      -5.701   4.98 0.143 0.778 0.495 0.843     242.638     280.000       7.398   15 
-     50000       10000.00      26.828     -30.508      -3.680   5.42 0.143 0.778 0.465 0.887     243.396     280.000       7.330   15 
-     60000       12000.00      28.482     -28.377       0.105   4.78 0.214 0.700 0.191 0.367     258.400     280.000       7.576   15 
-     70000       14000.00      31.416     -27.652       3.764   4.49 0.286 0.636 0.186 0.513     285.025     280.000       7.575   15 
-     80000       16000.00      31.956     -38.761      -6.805   2.89 0.429 0.400 0.205 0.493     289.919     280.000       7.446   15 
-     90000       18000.00      22.574     -31.189      -8.615   3.02 0.357 0.643 0.224 0.418     204.802     280.000       7.108   15 
-    100000       20000.00      29.651     -42.750     -13.099   3.44 0.357 0.722 0.351 0.526     269.011     280.000       6.538   15 
-    110000       22000.00      29.851     -44.514     -14.663   2.48 0.429 0.538 0.213 0.668     270.824     280.000       6.900   15 
-    120000       24000.00      26.621     -28.386      -1.765   2.46 0.286 0.500 0.176 0.292     241.521     280.000       6.911   15 
-    130000       26000.00      31.116     -40.892      -9.776   3.36 0.286 0.778 0.326 0.858     282.298     280.000       6.283   15 
-    140000       28000.00      27.280     -36.951      -9.670   3.74 0.143 0.778 0.253 0.427     247.502     280.000       6.683   15 
-    150000       30000.00      26.406     -44.122     -17.717   2.66 0.357 0.583 0.277 0.512     239.566     280.000       7.019   15 
-    160000       32000.00      30.678     -34.835      -4.157   2.63 0.286 0.600 0.241 0.657     278.329     280.000       7.011   15 
-    170000       34000.00      33.467     -34.275      -0.808   3.17 0.286 0.714 0.260 0.451     303.630     280.000       6.978   15 
-    180000       36000.00      32.054     -38.123      -6.070   2.96 0.357 0.583 0.197 0.127     290.809     280.000       7.381   15 
-    190000       38000.00      25.042     -37.092     -12.050   3.60 0.286 0.733 0.267 0.437     227.196     280.000       6.599   15 
-    200000       40000.00      23.323     -32.698      -9.375   2.68 0.286 0.600 0.268 0.605     211.602     280.000       6.929   15 
-    210000       42000.00      31.097     -44.905     -13.808   3.36 0.357 0.688 0.338 0.789     282.125     270.000       6.454   15 
-    220000       44000.00      27.020     -49.614     -22.593   3.05 0.286 0.750 0.341 0.543     245.143     270.000       6.594   15 
-    230000       46000.00      29.014     -29.043      -0.028   3.47 0.286 0.600 0.200 1.044     263.231     270.000       7.363   15 
-    240000       48000.00      32.287     -42.844     -10.557   2.64 0.214 0.769 0.283 0.345     292.924     270.000       6.803   15 
-    250000       50000.00      27.777     -47.313     -19.535   3.76 0.357 0.706 0.358 0.409     252.011     270.000       6.301   15 
-    260000       52000.00      29.038     -49.253     -20.215   3.05 0.357 0.722 0.278 1.051     263.451     270.000       6.776   15 
-    270000       54000.00      32.900     -44.828     -11.928   3.27 0.286 0.692 0.287 0.639     298.482     270.000       6.458   15 
-    280000       56000.00      25.610     -37.030     -11.420   2.98 0.357 0.643 0.201 0.373     232.344     270.000       7.069   15 
-    290000       58000.00      28.333     -44.180     -15.846   3.00 0.286 0.667 0.201 0.445     257.054     270.000       7.120   15 
-    300000       60000.00      25.050     -41.149     -16.099   3.00 0.286 0.636 0.244 0.360     227.271     270.000       7.012   15 
-    310000       62000.00      27.617     -40.671     -13.054   3.17 0.286 0.765 0.318 0.326     250.553     280.000       6.563   15 
-    320000       64000.00      28.005     -33.465      -5.460   3.05 0.286 0.600 0.168 0.576     254.072     280.000       7.572   15 
-    330000       66000.00      32.987     -37.104      -4.117   2.69 0.357 0.500 0.168 0.759     299.274     280.000       7.133   15 
-    340000       68000.00      25.881     -41.631     -15.750   3.31 0.286 0.714 0.292 0.549     234.806     280.000       6.611   15 
-    350000       70000.00      25.546     -36.774     -11.228   3.09 0.357 0.615 0.210 0.802     231.764     280.000       7.238   15 
-    360000       72000.00      21.906     -35.565     -13.659   3.13 0.429 0.500 0.167 0.285     198.741     280.000       7.668   15 
-    370000       74000.00      30.430     -37.524      -7.094   3.72 0.143 0.846 0.406 0.269     276.073     280.000       6.649   15 
-    380000       76000.00      30.423     -25.627       4.795   2.84 0.214 0.727 0.256 0.756     276.011     280.000       6.886   15 
-    390000       78000.00      25.328     -26.800      -1.473   3.72 0.429 0.538 0.332 0.653     229.786     280.000       6.661   15 
-    400000       80000.00      26.159     -29.235      -3.076   2.99 0.286 0.600 0.232 0.537     237.326     280.000       6.856   15 
-    410000       82000.00      35.858     -30.562       5.297   3.65 0.214 0.571 0.227 0.643     325.326     280.000       6.871   15 
-    420000       84000.00      33.968     -27.008       6.960   2.76 0.357 0.583 0.261 0.796     308.177     280.000       7.137   15 
-    430000       86000.00      27.251     -36.076      -8.825   2.58 0.286 0.733 0.270 1.049     247.236     280.000       6.412   15 
-    440000       88000.00      29.737     -23.517       6.221   3.77 0.071 0.929 0.331 0.798     269.793     280.000       6.834   15 
-    450000       90000.00      23.322     -43.236     -19.915   2.71 0.429 0.571 0.211 0.310     211.586     280.000       6.795   15 
-    460000       92000.00      31.590     -39.797      -8.208   2.99 0.286 0.765 0.356 0.702     286.597     280.000       6.836   15 
-    470000       94000.00      29.488     -42.600     -13.112   3.18 0.357 0.667 0.297 0.415     267.529     280.000       6.287   15 
-    480000       96000.00      26.119     -33.916      -7.797   3.06 0.286 0.765 0.286 1.176     236.969     280.000       6.590   15 
-    490000       98000.00      27.292     -27.726      -0.435   2.99 0.214 0.750 0.314 0.755     247.604     280.000       7.004   15 
-    500000      100000.00      27.186     -35.793      -8.607   3.41 0.143 0.800 0.273 0.447     246.647     280.000       6.832   15 
-    510000      102000.00      29.822      -5.272      24.549   7.68 0.286 0.429 0.156 0.453     270.556     320.000      10.913   15 
-    520000      104000.00      32.023      -2.510      29.512   4.67 0.000 1.000 0.261 0.492     290.526     320.000       8.032   15 
-    530000      106000.00      29.706     -18.139      11.567   4.82 0.286 0.600 0.245 0.330     269.505     320.000       7.105   15 
-    540000      108000.00      30.859     -10.827      20.032   5.56 0.071 0.875 0.261 1.079     279.966     320.000       8.030   15 
-    550000      110000.00      37.301      -6.933      30.368   7.47 0.000 1.000 0.308 0.875     338.411     320.000       7.102   15 
-    560000      112000.00      27.597      -9.843      17.754   4.78 0.000 1.000 0.291 0.293     250.375     320.000       6.938   15 
-    570000      114000.00      38.395     -12.707      25.688   4.06 0.071 0.889 0.253 0.556     348.338     320.000       6.833   15 
-    580000      116000.00      33.533       0.295      33.828   7.62 0.143 0.778 0.212 1.062     304.230     320.000       9.224   15 
-    590000      118000.00      36.148     -15.954      20.194   4.19 0.286 0.600 0.414 0.777     327.956     320.000       6.748   15 
-    600000      120000.00      32.817     -21.056      11.761   5.60 0.143 0.778 0.268 0.652     297.736     320.000       7.601   15 
-    610000      122000.00      28.174     -21.231       6.943   6.06 0.286 0.667 0.273 0.479     255.608     310.000       7.674   15 
-    620000      124000.00      28.613     -11.894      16.720   7.15 0.071 0.833 0.159 0.482     259.595     310.000       9.292   15 
-    630000      126000.00      39.472      -7.634      31.838   6.33 0.214 0.750 0.182 0.297     358.109     310.000       8.418   15 
-    640000      128000.00      35.900      -1.442      34.458   3.61 0.071 0.667 0.136 0.721     325.701     310.000       8.305   15 
-    650000      130000.00      31.886     -25.889       5.997   2.90 0.357 0.688 0.301 0.593     289.286     310.000       6.749   15 
-    660000      132000.00      23.361      -2.053      21.308   5.52 0.214 0.700 0.218 0.625     211.944     310.000       8.013   15 
-    670000      134000.00      27.390     -20.642       6.748   3.79 0.143 0.800 0.273 0.645     248.493     310.000       7.011   15 
-    680000      136000.00      30.075     -18.744      11.332   4.70 0.143 0.800 0.327 0.752     272.859     310.000       6.796   15 
-    690000      138000.00      28.142     -21.047       7.094   4.06 0.286 0.692 0.280 0.299     255.318     310.000       6.698   15 
-    700000      140000.00      30.369     -11.307      19.062   3.31 0.214 0.625 0.273 0.265     275.526     310.000       7.615   15 
-    710000      142000.00      35.220     -15.400      19.819   3.92 0.143 0.778 0.268 0.203     319.531     320.000       7.200   15 
-    720000      144000.00      32.734     -19.038      13.696   3.58 0.214 0.727 0.285 0.467     296.981     320.000       7.098   15 
-    730000      146000.00      41.461      -8.816      32.645   2.96 0.143 0.667 0.348 1.629     376.155     320.000       7.024   15 
-    740000      148000.00      34.166     -20.742      13.424   3.62 0.143 0.857 0.305 0.335     309.973     320.000       7.302   15 
-    750000      150000.00      35.829      -8.831      26.998   5.70 0.214 0.625 0.193 0.899     325.058     320.000       7.858   15 
-    760000      152000.00      31.371     -20.002      11.369   3.09 0.214 0.769 0.255 0.160     284.611     320.000       7.135   15 
-    770000      154000.00      34.690      -2.591      32.099   8.92 0.071 0.500 0.182 0.479     314.725     320.000      11.439   15 
-    780000      156000.00      34.611      -8.413      26.198   7.18 0.214 0.625 0.199 0.795     314.005     320.000       8.348   15 
-    790000      158000.00      36.655       5.909      42.564   6.02 0.143 0.800 0.255 0.326     332.551     320.000       8.099   15 
-    800000      160000.00      30.593     -19.611      10.982   4.38 0.214 0.625 0.438 0.524     277.556     320.000       7.405   15 
-    810000      162000.00      29.618     -28.358       1.260   4.05 0.214 0.824 0.345 0.594     268.710     300.000       6.674   15 
-    820000      164000.00      35.810     -16.095      19.715   5.97 0.071 0.875 0.233 0.811     324.887     300.000       6.376   15 
-    830000      166000.00      33.651     -13.877      19.774   4.35 0.214 0.625 0.381 0.351     305.297     300.000       6.890   15 
-    840000      168000.00      33.420     -22.336      11.084   4.74 0.214 0.727 0.314 0.738     303.207     300.000       7.005   15 
-    850000      170000.00      35.169     -27.350       7.819   2.83 0.286 0.692 0.301 0.299     319.070     300.000       6.817   15 
-    860000      172000.00      40.901     -27.685      13.215   2.79 0.286 0.692 0.325 1.228     371.073     300.000       6.938   15 
-    870000      174000.00      31.503     -22.814       8.689   2.92 0.286 0.636 0.182 0.650     285.815     300.000       7.164   15 
-    880000      176000.00      31.383     -36.454      -5.071   3.73 0.357 0.688 0.341 0.755     284.724     300.000       6.594   15 
-    890000      178000.00      39.157     -29.029      10.129   2.48 0.357 0.667 0.330 0.820     355.254     300.000       6.731   15 
-    900000      180000.00      31.646     -39.119      -7.473   3.07 0.357 0.667 0.318 0.908     287.109     300.000       6.479   15 
-    910000      182000.00      25.121     -36.345     -11.224   2.76 0.357 0.643 0.315 0.426     227.914     280.000       6.671   15 
-    920000      184000.00      27.250     -43.206     -15.955   3.50 0.357 0.667 0.339 0.397     247.230     280.000       6.207   15 
-    930000      186000.00      25.601     -28.134      -2.533   2.65 0.286 0.733 0.315 0.566     232.265     280.000       6.745   15 
-    940000      188000.00      36.869     -25.673      11.196   4.12 0.429 0.500 0.170 0.501     334.494     280.000       7.801   15 
-    950000      190000.00      26.572     -39.220     -12.648   2.75 0.286 0.733 0.300 0.318     241.078     280.000       6.599   15 
-    960000      192000.00      33.381     -31.098       2.283   2.77 0.286 0.667 0.333 0.388     302.851     280.000       6.621   15 
-    970000      194000.00      22.788     -36.292     -13.504   3.49 0.214 0.727 0.426 0.366     206.741     280.000       6.570   15 
-    980000      196000.00      32.756     -42.923     -10.167   2.75 0.214 0.800 0.321 0.800     297.183     280.000       6.778   15 
-    990000      198000.00      26.812     -37.166     -10.354   2.47 0.286 0.429 0.175 0.581     243.256     280.000       6.973   15 
-   1000000      200000.00      31.489     -37.188      -5.699   3.08 0.357 0.545 0.252 0.393     285.684     280.000       7.217   15 
+         0           0.00      33.438     114.373     147.811  12.87 0.000   NaN   NaN 4.850     303.370     320.000      15.552   15 
+     10000        2000.00      28.731     -12.581      16.150   4.00 0.286 0.500 0.227 0.238     260.665     320.000       7.702   15 
+     20000        4000.00      22.150     -10.722      11.428   8.10 0.071 0.750 0.148 0.374     200.958     320.000      10.996   15 
+     30000        6000.00      27.358     -16.828      10.530   5.77 0.000 1.000 0.227 0.396     248.207     320.000       7.566   15 
+     40000        8000.00      29.884     -16.379      13.505   4.60 0.214 0.571 0.162 1.053     271.125     320.000       7.427   15 
+     50000       10000.00      33.300     -16.478      16.822   3.84 0.143 0.667 0.447 0.907     302.119     320.000       7.131   15 
+     60000       12000.00      31.250      -8.443      22.807   7.12 0.143 0.778 0.338 0.295     283.519     320.000       8.168   15 
+     70000       14000.00      33.965     -17.429      16.536   6.47 0.143 0.667 0.174 0.449     308.149     320.000       8.478   15 
+     80000       16000.00      33.547      -6.220      27.328   5.10 0.214 0.727 0.306 1.072     304.356     320.000       6.863   15 
+     90000       18000.00      24.536     -17.879       6.657   3.13 0.214 0.769 0.203 0.547     222.604     320.000       6.857   15 
+    100000       20000.00      36.539       2.606      39.145   4.94 0.000 1.000 0.214 0.315     331.502     320.000       8.047   15 
+    110000       22000.00      32.136     -25.718       6.419   6.22 0.214 0.824 0.321 0.945     291.558     320.000       6.780   15 
+    120000       24000.00      30.670      -5.967      24.703   7.90 0.143 0.500 0.170 0.271     278.254     320.000      11.050   15 
+    130000       26000.00      38.114      -4.306      33.807   5.40 0.214 0.786 0.409 0.743     345.788     320.000       6.790   15 
+    140000       28000.00      33.363      -5.511      27.852   6.64 0.143 0.600 0.164 0.734     302.685     320.000       9.589   15 
+    150000       30000.00      29.923     -14.774      15.149   5.54 0.000 1.000 0.191 0.780     271.475     320.000       8.482   15 
+    160000       32000.00      33.847      -9.266      24.581   4.38 0.286 0.556 0.278 0.787     307.074     320.000       7.467   15 
+    170000       34000.00      41.274     -11.436      29.838   3.66 0.286 0.500 0.188 0.747     374.462     320.000       7.651   15 
+    180000       36000.00      36.604     -13.977      22.626   2.89 0.143 0.750 0.341 0.534     332.086     320.000       7.074   15 
+    190000       38000.00      27.982     -17.366      10.616   7.11 0.143 0.833 0.292 0.832     253.868     320.000       6.922   15 
+    200000       40000.00      27.576     -28.711      -1.135   2.70 0.214 0.750 0.292 0.402     250.183     320.000       6.944   15 
+    210000       42000.00      36.621     -20.281      16.340   2.72 0.214 0.769 0.388 0.641     332.249     320.000       6.604   15 
+    220000       44000.00      29.529      -8.562      20.967   3.55 0.429 0.455 0.322 0.243     267.901     320.000       7.151   15 
+    230000       46000.00      34.060     -15.300      18.760   4.36 0.143 0.600 0.164 0.434     309.011     320.000       7.933   15 
+    240000       48000.00      39.674     -13.372      26.302   3.96 0.143 0.714 0.260 0.724     359.947     320.000       7.424   15 
+    250000       50000.00      32.124      -5.896      26.228   9.03 0.143 0.714 0.175 0.580     291.448     320.000      10.998   15 
+    260000       52000.00      33.565      -4.568      28.997   5.70 0.071 0.750 0.170 0.487     304.518     320.000       8.752   15 
+    270000       54000.00      35.564     -12.132      23.432   3.63 0.286 0.556 0.157 0.696     322.654     320.000       7.255   15 
+    280000       56000.00      32.645     -16.348      16.297   4.24 0.071 0.900 0.300 0.362     296.174     320.000       6.679   15 
+    290000       58000.00      33.444     -12.144      21.300   6.74 0.143 0.600 0.209 0.643     303.424     320.000       8.181   15 
+    300000       60000.00      30.518      -6.588      23.930   4.42 0.071 0.667 0.212 0.604     276.874     320.000       7.740   15 
+    310000       62000.00      32.469     -13.548      18.921   6.66 0.143 0.778 0.217 0.428     294.576     320.000       7.869   15 
+    320000       64000.00      31.788      -6.230      25.558   5.27 0.071 0.857 0.396 0.574     288.401     320.000       6.949   15 
+    330000       66000.00      39.646       0.776      40.422   6.92 0.214 0.250 0.182 0.554     359.690     320.000      10.631   15 
+    340000       68000.00      27.601       2.573      30.174  10.67 0.143 0.500 0.170 0.313     250.410     320.000      13.446   15 
+    350000       70000.00      27.407      -6.863      20.544   6.02 0.071 0.889 0.207 0.608     248.646     320.000       8.434   15 
+    360000       72000.00      26.662       4.735      31.396   5.69 0.071 0.667 0.212 0.237     241.888     320.000       9.251   15 
+    370000       74000.00      34.460      -9.607      24.853   3.32 0.071 0.889 0.263 1.488     312.635     320.000       6.939   15 
+    380000       76000.00      36.862     -10.345      26.517   6.61 0.071 0.889 0.263 0.534     334.433     320.000       7.785   15 
+    390000       78000.00      28.839      -4.512      24.327   7.93 0.214 0.250 0.136 0.527     261.642     320.000      10.454   15 
+    400000       80000.00      29.423     -15.748      13.675   4.87 0.000 1.000 0.280 0.596     266.937     320.000       6.974   15 
+    410000       82000.00      37.999     -15.406      22.594   3.09 0.143 0.714 0.325 0.697     344.750     310.000       7.151   15 
+    420000       84000.00      33.808     -22.193      11.615   3.08 0.143 0.714 0.273 0.639     306.726     310.000       6.950   15 
+    430000       86000.00      33.266     -17.385      15.881   2.93 0.357 0.667 0.270 0.731     301.805     310.000       6.884   15 
+    440000       88000.00      32.340     -17.504      14.837   4.65 0.286 0.667 0.239 0.595     293.406     310.000       7.009   15 
+    450000       90000.00      28.374     -26.773       1.601   3.15 0.214 0.800 0.309 0.192     257.426     310.000       6.790   15 
+    460000       92000.00      33.702     -16.076      17.625   4.21 0.214 0.667 0.172 0.820     305.758     310.000       7.999   15 
+    470000       94000.00      33.535     -28.968       4.566   3.33 0.357 0.688 0.406 0.941     304.243     310.000       6.691   15 
+    480000       96000.00      32.018     -14.406      17.613   4.68 0.286 0.714 0.227 0.336     290.488     310.000       7.165   15 
+    490000       98000.00      29.975     -25.636       4.339   4.15 0.429 0.455 0.331 0.299     271.947     310.000       6.914   15 
+    500000      100000.00      28.167     -22.230       5.937   3.29 0.286 0.429 0.188 0.619     255.548     310.000       7.078   15 
+    510000      102000.00      31.709     -17.455      14.254   3.31 0.286 0.500 0.188 0.345     287.680     310.000       7.130   15 
+    520000      104000.00      30.139     -21.897       8.242   6.79 0.286 0.556 0.167 0.790     273.440     310.000       8.037   15 
+    530000      106000.00      30.788     -15.201      15.587   5.58 0.143 0.800 0.386 0.475     279.327     310.000       8.023   15 
+    540000      108000.00      28.625     -23.017       5.609   2.57 0.143 0.750 0.170 0.423     259.703     310.000       7.490   15 
+    550000      110000.00      38.652     -18.547      20.104   5.56 0.000 1.000 0.236 0.599     350.666     310.000       7.705   15 
+    560000      112000.00      25.744     -20.996       4.748   3.54 0.286 0.778 0.278 0.617     233.563     310.000       6.827   15 
+    570000      114000.00      38.248     -20.591      17.657   4.06 0.214 0.667 0.207 0.826     347.007     310.000       7.136   15 
+    580000      116000.00      30.709     -20.833       9.876   4.27 0.286 0.500 0.381 0.528     278.609     310.000       6.906   15 
+    590000      118000.00      35.594     -27.596       7.997   4.57 0.214 0.700 0.295 0.465     322.925     310.000       6.787   15 
+    600000      120000.00      32.064     -12.900      19.164   4.18 0.214 0.786 0.383 1.022     290.899     310.000       6.788   15 
+    610000      122000.00      26.918     -20.484       6.434   3.22 0.429 0.455 0.339 0.711     244.211     300.000       7.133   15 
+    620000      124000.00      33.555     -17.165      16.390   5.87 0.214 0.667 0.157 0.311     304.428     300.000       8.534   15 
+    630000      126000.00      36.712     -18.324      18.388   5.92 0.286 0.500 0.159 0.504     333.073     300.000       8.700   15 
+    640000      128000.00      30.480     -27.548       2.932   2.86 0.286 0.667 0.314 0.546     276.535     300.000       6.768   15 
+    650000      130000.00      28.483     -24.296       4.187   3.09 0.357 0.444 0.172 0.236     258.409     300.000       7.754   15 
+    660000      132000.00      24.038     -28.427      -4.389   3.04 0.214 0.727 0.339 0.612     218.088     300.000       6.834   15 
+    670000      134000.00      25.416     -30.686      -5.270   2.88 0.286 0.692 0.294 0.592     230.584     300.000       6.435   15 
+    680000      136000.00      28.029     -23.324       4.705   5.40 0.214 0.667 0.172 0.734     254.294     300.000       8.675   15 
+    690000      138000.00      24.833     -31.275      -6.442   2.99 0.429 0.667 0.346 0.373     225.299     300.000       6.722   15 
+    700000      140000.00      30.093     -21.548       8.545   5.60 0.214 0.700 0.177 0.200     273.020     300.000       7.591   15 
+    710000      142000.00      30.433     -24.323       6.110   3.56 0.071 0.875 0.352 0.428     276.099     300.000       7.137   15 
+    720000      144000.00      32.891     -34.962      -2.071   3.33 0.286 0.750 0.310 0.288     298.405     300.000       6.856   15 
+    730000      146000.00      33.344     -20.494      12.850   3.20 0.286 0.636 0.331 0.808     302.515     300.000       7.034   15 
+    740000      148000.00      33.734     -27.064       6.670   2.66 0.286 0.692 0.255 0.603     306.052     300.000       6.829   15 
+    750000      150000.00      31.970     -22.529       9.441   2.27 0.357 0.615 0.196 0.275     290.049     300.000       7.056   15 
+    760000      152000.00      29.193     -33.702      -4.508   2.89 0.286 0.733 0.339 0.612     264.857     300.000       6.555   15 
+    770000      154000.00      32.355     -32.597      -0.242   3.70 0.429 0.600 0.379 0.437     293.545     300.000       6.625   15 
+    780000      156000.00      36.774     -20.118      16.656   4.17 0.143 0.714 0.234 0.334     333.631     300.000       7.043   15 
+    790000      158000.00      34.276     -15.581      18.695   4.71 0.071 0.857 0.214 1.179     310.971     300.000       7.703   15 
+    800000      160000.00      30.963     -22.895       8.068   3.98 0.286 0.750 0.398 0.202     280.909     300.000       6.511   15 
+    810000      162000.00      28.098     -31.763      -3.665   6.10 0.214 0.667 0.182 0.444     254.921     300.000       8.292   15 
+    820000      164000.00      35.519     -35.621      -0.103   2.85 0.143 0.867 0.412 0.879     322.244     300.000       6.622   15 
+    830000      166000.00      33.103     -26.815       6.288   3.78 0.286 0.600 0.168 0.615     300.328     300.000       8.143   15 
+    840000      168000.00      34.123     -28.588       5.535   4.39 0.286 0.667 0.178 0.178     309.584     300.000       7.689   15 
+    850000      170000.00      34.498     -26.399       8.099   5.74 0.214 0.824 0.297 0.503     312.980     300.000       6.824   15 
+    860000      172000.00      41.997     -19.549      22.448   6.59 0.214 0.769 0.329 0.595     381.022     300.000       7.663   15 
+    870000      174000.00      32.089     -21.966      10.122   6.62 0.214 0.667 0.268 0.427     291.125     300.000       7.704   15 
+    880000      176000.00      34.264     -27.648       6.616   5.32 0.357 0.444 0.162 0.466     310.864     300.000       8.683   15 
+    890000      178000.00      35.755     -28.336       7.419   2.73 0.286 0.714 0.367 0.318     324.390     300.000       6.813   15 
+    900000      180000.00      31.594     -19.424      12.170   3.15 0.071 0.889 0.293 0.699     286.637     300.000       7.510   15 
+    910000      182000.00      27.125     -40.472     -13.347   2.78 0.286 0.733 0.391 0.725     246.093     300.000       6.564   15 
+    920000      184000.00      28.340     -28.357      -0.017   3.12 0.286 0.636 0.186 0.374     257.115     300.000       7.176   15 
+    930000      186000.00      25.899     -10.378      15.520   4.85 0.071 0.833 0.205 0.291     234.965     300.000       8.027   15 
+    940000      188000.00      38.537     -16.999      21.538   3.13 0.286 0.556 0.192 0.542     349.628     300.000       7.053   15 
+    950000      190000.00      28.208     -30.389      -2.181   2.58 0.357 0.688 0.315 0.219     255.919     300.000       6.865   15 
+    960000      192000.00      36.983     -16.776      20.208   4.16 0.286 0.600 0.250 0.215     335.533     300.000       7.701   15 
+    970000      194000.00      24.066     -27.199      -3.133   2.82 0.357 0.583 0.303 0.507     218.336     300.000       6.926   15 
+    980000      196000.00      33.573     -26.005       7.568   3.36 0.214 0.667 0.172 0.688     304.588     300.000       7.807   15 
+    990000      198000.00      28.290     -33.265      -4.975   2.65 0.286 0.750 0.332 0.515     256.659     300.000       6.618   15 
+   1000000      200000.00      32.348     -11.066      21.282   6.99 0.357 0.545 0.165 0.415     293.478     300.000       9.710   15 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB016.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB016.stat
index 67941ab..9000697 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB016.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB016.stat
@@ -1,101 +1,101 @@
-         0           0.00      37.160     115.434     152.594  12.87 0.000   NaN   NaN 4.850     337.137     290.000      15.552   16 
-     10000        2000.00      31.937     -27.722       4.215   2.80 0.357 0.615 0.252 0.315     289.752     290.000       7.183   16 
-     20000        4000.00      27.960     -29.178      -1.218   3.37 0.500 0.417 0.235 0.958     253.664     290.000       6.870   16 
-     30000        6000.00      26.388     -35.962      -9.574   3.06 0.286 0.667 0.216 0.342     239.408     290.000       6.883   16 
-     40000        8000.00      26.850     -34.805      -7.954   2.73 0.357 0.444 0.247 0.872     243.600     290.000       7.062   16 
-     50000       10000.00      30.549     -26.762       3.787   3.20 0.286 0.556 0.197 0.314     277.160     290.000       7.132   16 
-     60000       12000.00      33.758     -35.927      -2.168   3.93 0.357 0.688 0.361 0.613     306.273     290.000       6.509   16 
-     70000       14000.00      20.153     -28.102      -7.949   4.11 0.286 0.667 0.379 0.700     182.842     290.000       6.772   16 
-     80000       16000.00      28.431     -40.396     -11.965   2.71 0.429 0.538 0.241 0.764     257.938     290.000       6.719   16 
-     90000       18000.00      25.394     -16.560       8.834   3.77 0.071 0.889 0.232 0.815     230.385     290.000       6.869   16 
-    100000       20000.00      30.762     -40.230      -9.468   2.85 0.357 0.706 0.313 0.451     279.091     290.000       6.470   16 
-    110000       22000.00      32.907     -40.621      -7.714   3.37 0.357 0.583 0.386 0.706     298.549     280.000       6.634   16 
-    120000       24000.00      30.351     -25.627       4.725   6.01 0.286 0.636 0.219 0.324     275.363     280.000       8.189   16 
-    130000       26000.00      33.769     -36.369      -2.600   3.18 0.357 0.643 0.218 0.669     306.372     280.000       7.234   16 
-    140000       28000.00      36.104     -33.119       2.985   2.80 0.286 0.636 0.227 0.204     327.558     280.000       7.170   16 
-    150000       30000.00      29.514     -34.657      -5.143   2.55 0.429 0.400 0.205 0.623     267.770     280.000       7.117   16 
-    160000       32000.00      24.479     -31.775      -7.296   3.00 0.286 0.733 0.315 0.210     222.086     280.000       6.269   16 
-    170000       34000.00      35.952     -38.051      -2.098   2.40 0.357 0.643 0.266 0.452     326.178     280.000       6.769   16 
-    180000       36000.00      35.791     -44.485      -8.695   2.88 0.500 0.632 0.380 0.342     324.713     280.000       6.452   16 
-    190000       38000.00      28.736     -40.336     -11.600   2.82 0.214 0.812 0.349 0.403     260.708     280.000       6.630   16 
-    200000       40000.00      32.346     -27.640       4.706   2.85 0.357 0.500 0.236 0.282     293.459     280.000       6.720   16 
-    210000       42000.00      29.481     -49.138     -19.658   2.86 0.286 0.667 0.280 1.304     267.465     270.000       6.923   16 
-    220000       44000.00      30.145     -44.044     -13.900   3.07 0.429 0.684 0.316 0.335     273.487     270.000       6.652   16 
-    230000       46000.00      27.375     -39.052     -11.676   3.34 0.214 0.786 0.325 0.830     248.363     270.000       6.369   16 
-    240000       48000.00      27.917     -40.374     -12.457   2.66 0.286 0.600 0.186 0.270     253.274     270.000       6.970   16 
-    250000       50000.00      29.822     -39.486      -9.665   2.67 0.143 0.818 0.248 0.326     270.559     270.000       6.512   16 
-    260000       52000.00      33.528     -46.083     -12.555   3.00 0.214 0.812 0.364 0.411     304.184     270.000       6.358   16 
-    270000       54000.00      24.011     -40.790     -16.779   3.04 0.429 0.625 0.293 0.459     217.840     270.000       6.827   16 
-    280000       56000.00      21.366     -49.217     -27.851   2.46 0.357 0.615 0.304 0.481     193.843     270.000       6.552   16 
-    290000       58000.00      29.862     -47.061     -17.199   2.81 0.429 0.647 0.246 0.816     270.920     270.000       6.908   16 
-    300000       60000.00      27.696     -39.824     -12.128   2.86 0.429 0.571 0.276 0.414     251.273     270.000       6.631   16 
-    310000       62000.00      27.669     -52.192     -24.523   2.80 0.571 0.529 0.275 0.296     251.026     260.000       6.809   16 
-    320000       64000.00      28.525     -53.795     -25.270   2.63 0.357 0.643 0.253 0.626     258.791     260.000       6.784   16 
-    330000       66000.00      26.779     -37.716     -10.937   2.82 0.500 0.588 0.176 0.506     242.955     260.000       7.083   16 
-    340000       68000.00      26.431     -43.858     -17.427   3.15 0.429 0.538 0.227 0.803     239.794     260.000       7.044   16 
-    350000       70000.00      27.700     -45.931     -18.231   2.24 0.500 0.417 0.246 0.259     251.305     260.000       6.952   16 
-    360000       72000.00      26.849     -47.615     -20.766   2.79 0.500 0.462 0.262 0.132     243.586     260.000       6.994   16 
-    370000       74000.00      23.791     -42.914     -19.123   2.82 0.357 0.500 0.214 0.370     215.843     260.000       7.319   16 
-    380000       76000.00      28.541     -44.850     -16.309   2.33 0.429 0.600 0.239 0.309     258.940     260.000       6.877   16 
-    390000       78000.00      33.713     -48.375     -14.662   2.63 0.357 0.545 0.240 0.599     305.862     260.000       6.271   16 
-    400000       80000.00      26.712     -50.155     -23.443   3.60 0.429 0.455 0.182 0.190     242.343     260.000       7.510   16 
-    410000       82000.00      33.937     -50.128     -16.191   2.66 0.286 0.733 0.258 0.581     307.894     260.000       6.885   16 
-    420000       84000.00      26.561     -57.666     -31.105   2.72 0.357 0.643 0.321 0.206     240.972     260.000       6.490   16 
-    430000       86000.00      24.816     -47.222     -22.406   2.92 0.500 0.533 0.227 0.858     225.144     260.000       7.044   16 
-    440000       88000.00      23.334     -50.089     -26.756   3.06 0.357 0.615 0.311 0.253     211.695     260.000       6.910   16 
-    450000       90000.00      26.814     -53.833     -27.019   2.94 0.357 0.615 0.280 0.308     243.267     260.000       6.695   16 
-    460000       92000.00      20.243     -54.345     -34.102   2.77 0.357 0.667 0.291 0.479     183.658     260.000       6.320   16 
-    470000       94000.00      31.439     -41.451     -10.012   2.97 0.357 0.615 0.238 0.601     285.229     260.000       6.954   16 
-    480000       96000.00      33.786     -50.522     -16.736   2.93 0.429 0.667 0.331 0.581     306.522     260.000       6.541   16 
-    490000       98000.00      26.356     -53.708     -27.352   2.66 0.571 0.467 0.245 0.331     239.117     260.000       6.467   16 
-    500000      100000.00      26.621     -40.171     -13.550   2.58 0.214 0.769 0.287 0.558     241.519     260.000       6.557   16 
-    510000      102000.00      24.663     -54.755     -30.092   2.64 0.429 0.400 0.209 0.536     223.758     250.000       6.882   16 
-    520000      104000.00      23.638     -52.644     -29.006   2.88 0.286 0.750 0.344 0.479     214.458     250.000       6.266   16 
-    530000      106000.00      31.093     -54.384     -23.291   2.52 0.429 0.647 0.297 0.682     282.090     250.000       6.543   16 
-    540000      108000.00      22.327     -49.511     -27.185   3.02 0.286 0.692 0.245 0.496     202.559     250.000       6.884   16 
-    550000      110000.00      22.682     -48.258     -25.576   2.71 0.429 0.647 0.334 0.385     205.781     250.000       6.315   16 
-    560000      112000.00      23.473     -48.035     -24.562   2.88 0.214 0.750 0.250 0.285     212.962     250.000       6.891   16 
-    570000      114000.00      26.979     -57.747     -30.768   2.53 0.357 0.706 0.305 0.573     244.769     250.000       6.189   16 
-    580000      116000.00      23.422     -53.232     -29.810   2.29 0.500 0.611 0.242 0.520     212.500     250.000       6.796   16 
-    590000      118000.00      21.962     -49.408     -27.446   3.07 0.357 0.583 0.273 0.392     199.249     250.000       6.605   16 
-    600000      120000.00      32.372     -49.938     -17.567   2.38 0.500 0.533 0.242 0.634     293.692     250.000       7.071   16 
-    610000      122000.00      30.528     -43.897     -13.369   2.78 0.286 0.636 0.273 0.696     276.962     270.000       6.137   16 
-    620000      124000.00      24.517     -46.329     -21.812   3.05 0.500 0.417 0.182 0.662     222.427     270.000       7.267   16 
-    630000      126000.00      29.012     -38.266      -9.254   2.68 0.429 0.625 0.230 0.734     263.214     270.000       6.704   16 
-    640000      128000.00      29.256     -41.105     -11.849   2.69 0.357 0.583 0.227 0.555     265.425     270.000       6.673   16 
-    650000      130000.00      21.540     -39.938     -18.398   2.69 0.500 0.462 0.206 0.429     195.421     270.000       6.983   16 
-    660000      132000.00      24.871     -32.665      -7.794   3.83 0.357 0.583 0.239 0.560     225.643     270.000       7.002   16 
-    670000      134000.00      22.335     -36.574     -14.239   3.36 0.429 0.600 0.203 0.696     202.632     270.000       7.158   16 
-    680000      136000.00      27.049     -44.475     -17.426   2.71 0.429 0.571 0.211 0.431     245.402     270.000       6.845   16 
-    690000      138000.00      20.301     -40.406     -20.105   3.89 0.357 0.615 0.224 0.395     184.180     270.000       7.349   16 
-    700000      140000.00      28.603     -46.789     -18.186   3.01 0.286 0.636 0.227 0.474     259.505     270.000       6.800   16 
-    710000      142000.00      33.144     -32.559       0.585   2.63 0.500 0.533 0.306 0.363     300.699     280.000       6.763   16 
-    720000      144000.00      28.537     -41.992     -13.455   2.86 0.214 0.769 0.294 0.356     258.898     280.000       6.282   16 
-    730000      146000.00      26.642     -27.499      -0.857   2.62 0.214 0.667 0.288 0.503     241.712     280.000       6.797   16 
-    740000      148000.00      27.948     -44.278     -16.330   2.46 0.286 0.636 0.211 0.748     253.560     280.000       6.774   16 
-    750000      150000.00      31.448     -44.712     -13.264   2.54 0.429 0.600 0.261 0.426     285.312     280.000       6.659   16 
-    760000      152000.00      28.331     -28.819      -0.488   3.25 0.214 0.667 0.177 0.552     257.031     280.000       7.208   16 
-    770000      154000.00      34.568     -39.845      -5.277   2.97 0.357 0.643 0.253 0.316     313.623     280.000       6.597   16 
-    780000      156000.00      29.478     -31.540      -2.063   6.69 0.286 0.556 0.157 0.469     267.435     280.000       9.349   16 
-    790000      158000.00      33.477     -38.204      -4.727   2.56 0.500 0.462 0.199 0.804     303.717     280.000       7.155   16 
-    800000      160000.00      22.528     -34.182     -11.654   2.83 0.357 0.667 0.297 0.608     204.385     280.000       6.670   16 
-    810000      162000.00      26.038     -37.469     -11.431   2.90 0.429 0.600 0.303 1.052     236.226     290.000       6.704   16 
-    820000      164000.00      33.428     -31.701       1.727   3.09 0.214 0.727 0.285 0.408     303.273     290.000       6.780   16 
-    830000      166000.00      27.505     -23.774       3.731   2.73 0.214 0.667 0.227 1.102     249.538     290.000       7.370   16 
-    840000      168000.00      28.803     -32.655      -3.852   3.79 0.286 0.692 0.168 0.620     261.320     290.000       7.827   16 
-    850000      170000.00      24.248     -28.375      -4.127   3.36 0.429 0.600 0.391 0.860     219.992     290.000       7.036   16 
-    860000      172000.00      34.206     -35.170      -0.964   2.95 0.286 0.500 0.210 0.459     310.336     290.000       7.112   16 
-    870000      174000.00      32.375     -27.457       4.917   2.52 0.357 0.583 0.307 0.348     293.720     290.000       6.732   16 
-    880000      176000.00      29.276     -26.065       3.211   6.06 0.214 0.571 0.182 0.395     265.605     290.000       8.931   16 
-    890000      178000.00      33.988     -30.038       3.950   4.16 0.429 0.571 0.195 0.404     308.359     290.000       7.932   16 
-    900000      180000.00      34.055     -20.915      13.140   3.15 0.357 0.643 0.328 0.623     308.964     290.000       6.809   16 
-    910000      182000.00      28.358     -29.036      -0.678   3.20 0.357 0.615 0.255 0.209     257.277     290.000       7.095   16 
-    920000      184000.00      24.991     -36.558     -11.567   3.10 0.286 0.714 0.269 0.501     226.733     290.000       6.714   16 
-    930000      186000.00      32.686     -33.328      -0.642   3.01 0.286 0.714 0.383 0.435     296.540     290.000       6.762   16 
-    940000      188000.00      25.790     -32.720      -6.931   2.74 0.286 0.667 0.383 0.099     233.976     290.000       6.582   16 
-    950000      190000.00      28.669     -26.111       2.558   3.73 0.143 0.818 0.252 0.196     260.101     290.000       6.741   16 
-    960000      192000.00      31.910     -30.216       1.693   2.97 0.286 0.600 0.241 0.611     289.501     290.000       7.443   16 
-    970000      194000.00      35.543     -33.216       2.327   3.31 0.214 0.769 0.266 0.824     322.461     290.000       6.868   16 
-    980000      196000.00      30.008     -25.275       4.733   5.49 0.071 0.900 0.250 0.587     272.248     290.000       7.932   16 
-    990000      198000.00      35.632     -27.730       7.902   3.31 0.214 0.667 0.283 0.786     323.275     290.000       7.250   16 
-   1000000      200000.00      31.442     -25.278       6.164   3.37 0.286 0.556 0.182 0.430     285.260     290.000       7.116   16 
+         0           0.00      42.286     114.043     156.329  12.87 0.000   NaN   NaN 4.850     383.638     330.000      15.552   16 
+     10000        2000.00      38.926     -21.999      16.928   4.04 0.214 0.700 0.186 0.202     353.160     330.000       7.652   16 
+     20000        4000.00      35.708      -7.737      27.971   3.02 0.286 0.600 0.305 0.502     323.963     330.000       6.920   16 
+     30000        6000.00      29.698      -6.832      22.866   4.50 0.214 0.667 0.263 0.759     269.439     330.000       6.811   16 
+     40000        8000.00      31.312      -4.709      26.603   3.82 0.214 0.750 0.242 0.414     284.076     330.000       7.171   16 
+     50000       10000.00      36.297      -3.581      32.716   4.74 0.143 0.800 0.295 0.420     329.302     330.000       8.231   16 
+     60000       12000.00      40.098     -12.956      27.142   6.49 0.214 0.750 0.201 0.922     363.793     330.000       8.422   16 
+     70000       14000.00      24.676      -8.331      16.345   6.05 0.071 0.857 0.247 0.731     223.876     330.000       7.217   16 
+     80000       16000.00      32.135     -14.022      18.114   5.08 0.286 0.556 0.333 0.548     291.548     330.000       7.331   16 
+     90000       18000.00      31.132      -5.654      25.478   3.98 0.143 0.750 0.227 0.513     282.445     330.000       7.575   16 
+    100000       20000.00      35.535      -7.927      27.608   5.91 0.214 0.571 0.188 0.428     322.394     330.000       8.812   16 
+    110000       22000.00      38.492       0.898      39.391   5.15 0.071 0.500 0.205 0.838     349.224     330.000       9.379   16 
+    120000       24000.00      36.446       1.878      38.324   9.51 0.143 0.000 0.136 0.248     330.657     330.000      12.383   16 
+    130000       26000.00      37.096     -10.956      26.140   2.77 0.357 0.583 0.280 0.958     336.554     330.000       7.107   16 
+    140000       28000.00      44.050     -15.247      28.803   4.43 0.143 0.750 0.330 0.143     399.642     330.000       6.843   16 
+    150000       30000.00      35.751     -10.306      25.445   4.68 0.071 0.857 0.214 0.327     324.355     330.000       7.482   16 
+    160000       32000.00      30.601      -2.755      27.847   4.59 0.071 0.833 0.205 0.551     277.630     330.000       8.021   16 
+    170000       34000.00      38.947      -9.897      29.049   4.14 0.214 0.700 0.182 0.582     353.344     330.000       7.426   16 
+    180000       36000.00      40.378     -10.484      29.894   4.03 0.214 0.727 0.202 0.832     366.332     330.000       7.694   16 
+    190000       38000.00      34.870      -9.780      25.090   2.89 0.357 0.167 0.242 0.425     316.362     330.000       6.904   16 
+    200000       40000.00      39.263      -3.415      35.848   7.15 0.143 0.750 0.170 0.821     356.217     330.000       9.981   16 
+    210000       42000.00      33.961      -4.932      29.030   4.82 0.286 0.500 0.324 0.509     308.116     360.000       7.516   16 
+    220000       44000.00      41.564      -0.907      40.658   5.48 0.000 1.000 0.383 0.844     377.091     360.000       8.126   16 
+    230000       46000.00      37.268       2.653      39.921   5.49 0.143 0.714 0.331 0.301     338.114     360.000       7.894   16 
+    240000       48000.00      35.812       2.918      38.730   4.88 0.000 1.000 0.267 0.921     324.907     360.000       8.046   16 
+    250000       50000.00      43.393       8.931      52.324   4.50 0.143 0.778 0.343 0.409     393.685     360.000       7.351   16 
+    260000       52000.00      44.327       2.679      47.006   7.25 0.071 0.000 0.136 0.327     402.155     360.000       9.076   16 
+    270000       54000.00      32.277      -5.340      26.937   5.97 0.143 0.667 0.318 0.951     292.832     360.000       8.081   16 
+    280000       56000.00      29.249      -3.408      25.840   6.84 0.071 0.750 0.193 0.359     265.359     360.000       8.597   16 
+    290000       58000.00      38.247       2.593      40.840   4.57 0.000 1.000 0.295 1.185     346.999     360.000       8.264   16 
+    300000       60000.00      35.959      -6.702      29.257   5.11 0.214 0.700 0.250 0.370     326.238     360.000       7.502   16 
+    310000       62000.00      38.368       1.389      39.756   7.70 0.143 0.500 0.170 0.399     348.092     340.000      10.261   16 
+    320000       64000.00      37.019      -6.565      30.454   6.01 0.071 0.875 0.403 0.694     335.859     340.000       7.620   16 
+    330000       66000.00      37.675     -11.720      25.955   6.54 0.357 0.375 0.170 0.196     341.807     340.000       8.989   16 
+    340000       68000.00      31.290       0.032      31.322   5.11 0.071 0.909 0.409 0.456     283.879     340.000       7.537   16 
+    350000       70000.00      35.472      10.143      45.614   8.65 0.000 1.000 0.136 0.580     321.817     340.000      11.260   16 
+    360000       72000.00      35.683       4.891      40.573   8.25 0.071 0.667 0.167 0.622     323.734     340.000      10.241   16 
+    370000       74000.00      29.496      -3.290      26.207   4.70 0.071 0.900 0.336 0.471     267.605     340.000       7.311   16 
+    380000       76000.00      38.086       2.312      40.399   6.43 0.071 0.833 0.235 0.622     345.540     340.000       7.756   16 
+    390000       78000.00      42.820      -2.852      39.968   3.89 0.143 0.750 0.312 0.519     388.482     340.000       7.411   16 
+    400000       80000.00      35.617     -12.371      23.245   4.20 0.071 0.923 0.346 0.378     323.132     340.000       7.292   16 
+    410000       82000.00      41.284      -2.610      38.674   5.04 0.071 0.833 0.341 0.386     374.547     330.000       7.867   16 
+    420000       84000.00      35.933     -12.080      23.852   5.61 0.143 0.875 0.452 0.641     326.001     330.000       7.106   16 
+    430000       86000.00      28.542     -12.647      15.896   5.90 0.286 0.500 0.176 0.640     258.952     330.000       8.177   16 
+    440000       88000.00      31.515      -7.657      23.857   5.24 0.214 0.400 0.182 0.269     285.917     330.000       7.921   16 
+    450000       90000.00      33.574      -6.828      26.746   4.87 0.214 0.667 0.384 0.262     304.604     330.000       7.150   16 
+    460000       92000.00      26.150      -0.910      25.240   8.61 0.214 0.250 0.148 0.495     237.246     330.000      11.205   16 
+    470000       94000.00      35.600      -1.479      34.121   6.34 0.000 1.000 0.288 0.585     322.982     330.000       9.080   16 
+    480000       96000.00      39.071      13.127      52.197   5.94 0.143 0.000 0.136 0.593     354.469     330.000       8.478   16 
+    490000       98000.00      34.099     -16.367      17.731   5.02 0.071 0.909 0.417 0.327     309.360     330.000       6.588   16 
+    500000      100000.00      38.986      -1.969      37.016   4.54 0.071 0.500 0.182 0.538     353.699     330.000       8.135   16 
+    510000      102000.00      32.316     -11.253      21.063   4.76 0.214 0.700 0.300 0.162     293.188     350.000       8.174   16 
+    520000      104000.00      34.795     -10.047      24.747   5.20 0.214 0.750 0.280 0.244     315.677     350.000       7.907   16 
+    530000      106000.00      39.739       5.390      45.129   5.48 0.071 0.667 0.318 0.775     360.532     350.000       8.691   16 
+    540000      108000.00      30.667       2.982      33.649   7.81 0.071 0.750 0.273 0.354     278.227     350.000       9.389   16 
+    550000      110000.00      33.239       6.461      39.700   5.28 0.071 0.833 0.455 0.694     301.561     350.000       6.787   16 
+    560000      112000.00      33.700      -6.037      27.663   4.73 0.143 0.800 0.214 0.436     305.742     350.000       8.064   16 
+    570000      114000.00      37.300      -2.682      34.617   3.91 0.071 0.833 0.235 0.562     338.402     350.000       7.645   16 
+    580000      116000.00      34.731      -0.720      34.011   4.58 0.286 0.667 0.231 0.391     315.097     350.000       7.539   16 
+    590000      118000.00      30.900       1.045      31.945   4.35 0.143 0.778 0.278 0.364     280.344     350.000       7.899   16 
+    600000      120000.00      45.564       6.860      52.423   5.47 0.000 1.000 0.576 0.477     413.376     350.000       7.749   16 
+    610000      122000.00      45.957      10.430      56.387   4.89 0.000 1.000 0.212 0.775     416.945     390.000       7.413   16 
+    620000      124000.00      39.711      11.219      50.930   6.76 0.000   NaN   NaN 0.300     360.274     390.000      10.167   16 
+    630000      126000.00      39.904      15.687      55.591   5.03 0.071 0.667 0.152 0.762     362.032     390.000       9.308   16 
+    640000      128000.00      41.202      12.624      53.827   4.16 0.143 0.667 0.295 1.179     373.810     390.000       8.196   16 
+    650000      130000.00      35.115      20.302      55.417   4.43 0.071 0.800 0.300 0.495     318.584     390.000       8.428   16 
+    660000      132000.00      35.204       7.199      42.403   7.25 0.071 0.889 0.379 0.458     319.385     390.000       7.305   16 
+    670000      134000.00      33.259       1.657      34.915   5.87 0.071 0.857 0.331 0.859     301.740     390.000       6.916   16 
+    680000      136000.00      45.026      10.816      55.842   6.33 0.000 1.000 0.273 0.958     408.496     390.000       8.899   16 
+    690000      138000.00      27.825      12.517      40.342   5.35 0.000 1.000 0.455 0.567     252.444     390.000       9.256   16 
+    700000      140000.00      39.246      30.314      69.559   9.03 0.071 0.500 0.136 0.353     356.057     390.000      10.298   16 
+    710000      142000.00      41.530      14.267      55.797   6.43 0.000 1.000 0.255 1.512     376.785     380.000       7.960   16 
+    720000      144000.00      35.592       8.137      43.729   5.14 0.071 0.800 0.164 0.878     322.910     380.000       9.052   16 
+    730000      146000.00      33.223      -0.394      32.829   3.64 0.071 0.857 0.422 0.497     301.417     380.000       7.344   16 
+    740000      148000.00      38.429       7.358      45.788   6.48 0.143 0.600 0.309 0.357     348.652     380.000       8.112   16 
+    750000      150000.00      39.048      -2.832      36.216   4.95 0.071 0.750 0.398 0.965     354.263     380.000       7.927   16 
+    760000      152000.00      40.029      -2.705      37.324   5.90 0.143 0.778 0.399 0.255     363.166     380.000       7.381   16 
+    770000      154000.00      37.038      15.102      52.140   4.72 0.071 0.800 0.200 0.564     336.025     380.000       8.662   16 
+    780000      156000.00      42.240      14.188      56.428   7.60 0.000 1.000 0.136 0.289     383.225     380.000      12.015   16 
+    790000      158000.00      46.718       8.658      55.377   5.23 0.071 0.875 0.301 0.563     423.852     380.000       7.335   16 
+    800000      160000.00      29.940       6.699      36.639   7.10 0.000 1.000 0.318 0.569     271.627     380.000       8.978   16 
+    810000      162000.00      34.100       5.466      39.565   8.33 0.071 0.750 0.205 0.491     309.370     370.000      11.528   16 
+    820000      164000.00      43.921       6.607      50.528   7.74 0.071 0.500 0.205 0.560     398.470     370.000       9.063   16 
+    830000      166000.00      34.661       8.558      43.219   5.98 0.071 0.000 0.182 1.062     314.462     370.000       8.626   16 
+    840000      168000.00      35.154       3.063      38.216   5.50 0.071 0.857 0.351 0.221     318.934     370.000       7.027   16 
+    850000      170000.00      34.391      14.054      48.445   6.34 0.000 1.000 0.282 0.437     312.016     370.000       7.940   16 
+    860000      172000.00      40.335       8.761      49.096   5.64 0.143 0.714 0.253 0.517     365.938     370.000       8.153   16 
+    870000      174000.00      36.430       7.931      44.361   7.11 0.000 1.000 0.398 0.361     330.511     370.000       9.200   16 
+    880000      176000.00      35.218       9.354      44.571   4.94 0.071 0.833 0.280 0.446     319.512     370.000       7.826   16 
+    890000      178000.00      43.797       9.165      52.962   5.13 0.000 1.000 0.523 0.467     397.353     370.000       8.151   16 
+    900000      180000.00      41.705       1.409      43.114   6.80 0.071 0.833 0.394 0.797     378.367     370.000       7.755   16 
+    910000      182000.00      33.142       9.607      42.749   5.57 0.071 0.750 0.205 0.339     300.685     370.000       8.892   16 
+    920000      184000.00      30.768      -4.474      26.294   7.25 0.286 0.556 0.242 0.571     279.144     370.000       7.515   16 
+    930000      186000.00      43.851       3.623      47.474   3.95 0.143 0.800 0.309 0.459     397.837     370.000       7.285   16 
+    940000      188000.00      30.870       7.634      38.504   6.14 0.143 0.500 0.170 0.294     280.064     370.000       8.915   16 
+    950000      190000.00      34.937       1.989      36.927   5.83 0.143 0.714 0.234 0.780     316.970     370.000       7.405   16 
+    960000      192000.00      43.470      11.805      55.274   5.88 0.071 0.750 0.420 0.571     394.381     370.000       8.032   16 
+    970000      194000.00      46.583      -2.799      43.784   7.16 0.071 0.667 0.167 0.718     422.623     370.000      10.751   16 
+    980000      196000.00      40.673       5.739      46.412   5.87 0.143 0.833 0.326 0.672     369.006     370.000       6.739   16 
+    990000      198000.00      45.932       2.831      48.763   4.67 0.143 0.333 0.152 0.707     416.722     370.000       8.366   16 
+   1000000      200000.00      37.664       5.130      42.794   6.55 0.000 1.000 0.282 0.795     341.708     370.000       8.248   16 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB017.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB017.stat
index f10fcd6..bfa730b 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB017.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB017.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.020     115.434     142.453  12.87 0.000   NaN   NaN 4.850     245.136     290.000      15.552   17 
-     10000        2000.00      29.155     -26.083       3.072   4.33 0.357 0.615 0.388 0.566     264.510     290.000       6.721   17 
-     20000        4000.00      32.609     -25.833       6.776   5.22 0.143 0.800 0.264 0.925     295.850     290.000       7.901   17 
-     30000        6000.00      28.810     -20.070       8.740   3.74 0.286 0.500 0.210 0.550     261.381     290.000       7.600   17 
-     40000        8000.00      30.194     -20.153      10.041   3.48 0.071 0.909 0.207 0.888     273.938     290.000       7.129   17 
-     50000       10000.00      30.663     -22.515       8.148   4.04 0.214 0.667 0.177 0.812     278.193     290.000       7.317   17 
-     60000       12000.00      23.660     -29.510      -5.850   6.19 0.143 0.800 0.159 0.252     214.652     290.000       9.170   17 
-     70000       14000.00      33.998     -23.480      10.518   4.70 0.357 0.500 0.164 0.778     308.446     290.000       8.646   17 
-     80000       16000.00      26.919     -17.534       9.385   6.36 0.214 0.625 0.170 0.729     244.227     290.000       8.964   17 
-     90000       18000.00      23.341     -26.533      -3.192   5.43 0.357 0.444 0.192 0.299     211.761     290.000       7.949   17 
-    100000       20000.00      33.977     -23.379      10.598   5.13 0.143 0.750 0.182 0.345     308.258     290.000       8.059   17 
-    110000       22000.00      28.449      -0.809      27.640   4.56 0.071 0.833 0.250 0.534     258.100     330.000       7.271   17 
-    120000       24000.00      27.508     -10.024      17.484   5.27 0.143 0.714 0.188 0.269     249.564     330.000       7.501   17 
-    130000       26000.00      45.964      -3.882      42.081   4.40 0.214 0.571 0.201 0.494     417.008     330.000       8.041   17 
-    140000       28000.00      41.334      -7.531      33.803   6.30 0.071 0.875 0.278 0.809     375.003     330.000       7.738   17 
-    150000       30000.00      27.557      -7.292      20.265   3.41 0.286 0.714 0.263 0.819     250.009     330.000       6.972   17 
-    160000       32000.00      36.203     -11.269      24.934   4.67 0.071 0.857 0.364 0.526     328.452     330.000       7.629   17 
-    170000       34000.00      39.807      -5.490      34.317   3.38 0.214 0.625 0.176 0.521     361.147     330.000       7.709   17 
-    180000       36000.00      27.416     -10.897      16.519   4.56 0.286 0.600 0.373 0.714     248.730     330.000       6.576   17 
-    190000       38000.00      36.358      -6.863      29.495   5.80 0.071 0.857 0.195 0.929     329.855     330.000       8.722   17 
-    200000       40000.00      28.762     -15.478      13.284   4.18 0.214 0.667 0.429 0.450     260.941     330.000       7.015   17 
-    210000       42000.00      28.259      -2.874      25.385   4.77 0.214 0.571 0.162 0.244     256.384     330.000       8.541   17 
-    220000       44000.00      26.286     -11.694      14.592   4.49 0.214 0.727 0.351 0.759     238.482     330.000       7.279   17 
-    230000       46000.00      43.004      -6.348      36.657   5.22 0.214 0.500 0.212 0.393     390.159     330.000       8.310   17 
-    240000       48000.00      34.545      -7.145      27.400   5.19 0.143 0.846 0.255 0.655     313.408     330.000       8.027   17 
-    250000       50000.00      33.431      -4.984      28.447   4.22 0.214 0.400 0.155 0.591     303.303     330.000       8.522   17 
-    260000       52000.00      30.904       6.125      37.029   6.08 0.071 0.833 0.167 0.234     280.378     330.000       8.755   17 
-    270000       54000.00      35.340      -4.757      30.583   4.20 0.143 0.667 0.212 0.428     320.626     330.000       7.806   17 
-    280000       56000.00      34.711      -5.308      29.404   4.90 0.071 0.875 0.233 0.500     314.917     330.000       7.937   17 
-    290000       58000.00      25.514     -10.582      14.932   4.13 0.357 0.545 0.202 0.819     231.473     330.000       7.784   17 
-    300000       60000.00      35.673      -1.880      33.793   4.96 0.143 0.333 0.152 0.591     323.643     330.000       9.407   17 
-    310000       62000.00      30.954       5.351      36.306   5.81 0.071 0.800 0.191 0.499     280.833     350.000      10.023   17 
-    320000       64000.00      38.485      14.878      53.363   5.54 0.071 0.833 0.356 0.725     349.157     350.000       8.446   17 
-    330000       66000.00      32.895      -2.916      29.979   4.09 0.143 0.800 0.291 0.166     298.441     350.000       7.281   17 
-    340000       68000.00      40.212       4.543      44.755   6.29 0.000 1.000 0.136 0.288     364.820     350.000       9.715   17 
-    350000       70000.00      29.747       2.204      31.951   7.09 0.000 1.000 0.282 0.802     269.881     350.000       8.862   17 
-    360000       72000.00      40.082       0.251      40.334   5.38 0.071 0.800 0.255 0.347     363.648     350.000       8.380   17 
-    370000       74000.00      39.484       1.862      41.347   6.73 0.071 0.667 0.288 0.825     358.223     350.000       9.013   17 
-    380000       76000.00      36.845       8.039      44.884   7.17 0.071 0.000 0.182 0.231     334.278     350.000       9.263   17 
-    390000       78000.00      37.441       2.570      40.010   9.29 0.143 0.000 0.136 0.487     339.680     350.000      11.119   17 
-    400000       80000.00      42.422       6.690      49.112   6.35 0.071 0.500 0.136 0.324     384.878     350.000       9.956   17 
-    410000       82000.00      35.304       8.084      43.389   4.37 0.071 0.857 0.188 0.574     320.300     390.000       8.002   17 
-    420000       84000.00      41.686       5.270      46.956   5.67 0.071 0.500 0.295 0.852     378.196     390.000       9.588   17 
-    430000       86000.00      30.791       8.964      39.755   5.06 0.143 0.333 0.182 1.201     279.355     390.000       8.949   17 
-    440000       88000.00      51.950       6.524      58.475   6.06 0.071 0.875 0.415 0.572     471.321     390.000       7.046   17 
-    450000       90000.00      40.871      10.945      51.816   5.24 0.071 0.667 0.303 0.829     370.805     390.000       8.861   17 
-    460000       92000.00      37.141      23.004      60.145   5.42 0.000 1.000 0.545 0.661     336.959     390.000       8.901   17 
-    470000       94000.00      30.645      22.781      53.426   5.19 0.071 0.667 0.212 0.749     278.025     390.000       9.140   17 
-    480000       96000.00      44.740       8.725      53.465   5.57 0.000 1.000 0.545 0.393     405.900     390.000       8.116   17 
-    490000       98000.00      35.868      14.536      50.404   9.85 0.071 0.500 0.159 0.401     325.413     390.000      12.956   17 
-    500000      100000.00      37.472      13.020      50.492   5.80 0.143 0.714 0.253 0.621     339.964     390.000       9.435   17 
-    510000      102000.00      41.890       9.166      51.056   5.79 0.071 0.667 0.152 0.597     380.047     380.000       8.908   17 
-    520000      104000.00      38.458      12.232      50.690   5.22 0.071 0.800 0.218 0.680     348.912     380.000       9.572   17 
-    530000      106000.00      35.508      14.077      49.585   6.96 0.071 0.833 0.227 0.274     322.146     380.000       8.318   17 
-    540000      108000.00      43.648      16.125      59.772   6.83 0.000 1.000 0.455 0.194     395.993     380.000      10.603   17 
-    550000      110000.00      42.124       8.793      50.917   7.41 0.071 0.857 0.390 0.663     382.173     380.000       7.016   17 
-    560000      112000.00      37.235       9.560      46.795   5.07 0.143 0.600 0.336 1.239     337.813     380.000       9.102   17 
-    570000      114000.00      31.993      20.245      52.238   7.42 0.000 1.000 0.136 0.824     290.259     380.000      11.499   17 
-    580000      116000.00      43.979      10.840      54.819   6.30 0.071 0.800 0.191 0.536     399.001     380.000       8.195   17 
-    590000      118000.00      39.261       6.467      45.728   7.74 0.143 0.000 0.159 0.387     356.195     380.000       9.765   17 
-    600000      120000.00      47.316       3.753      51.069   5.36 0.071 0.900 0.400 0.990     429.274     380.000       7.640   17 
-    610000      122000.00      41.471       6.845      48.316   7.60 0.071 0.833 0.189 0.245     376.243     370.000       9.626   17 
-    620000      124000.00      43.074      11.349      54.423   5.15 0.143 0.667 0.386 0.316     390.789     370.000       8.662   17 
-    630000      126000.00      37.931      13.655      51.587   6.72 0.071 0.800 0.218 0.765     344.132     370.000       8.540   17 
-    640000      128000.00      36.837       4.731      41.568   5.59 0.000 1.000 0.159 0.843     334.204     370.000       7.924   17 
-    650000      130000.00      40.673      12.090      52.762   5.76 0.000 1.000 0.250 0.447     369.002     370.000       8.423   17 
-    660000      132000.00      47.414       3.537      50.951   4.53 0.071 0.833 0.227 1.166     430.164     370.000       8.762   17 
-    670000      134000.00      46.717       5.082      51.800   5.95 0.071 0.667 0.227 0.507     423.844     370.000       8.745   17 
-    680000      136000.00      32.826       6.228      39.054   5.78 0.143 0.667 0.189 0.499     297.812     370.000       9.340   17 
-    690000      138000.00      36.341      14.840      51.181   7.43 0.214 0.400 0.173 0.499     329.703     370.000      10.491   17 
-    700000      140000.00      36.440      13.565      50.005   7.62 0.143 0.333 0.136 0.709     330.607     370.000      10.778   17 
-    710000      142000.00      52.748      18.139      70.887   4.23 0.071 0.500 0.205 0.468     478.558     400.000       8.361   17 
-    720000      144000.00      36.035      17.525      53.560   8.54 0.071 0.000 0.136 0.486     326.925     400.000      11.087   17 
-    730000      146000.00      40.803      17.039      57.842   7.14 0.071 0.000 0.136 0.432     370.183     400.000      10.772   17 
-    740000      148000.00      41.404       6.999      48.402   6.08 0.071 0.667 0.152 0.281     375.636     400.000      10.009   17 
-    750000      150000.00      40.158      16.292      56.450   5.75 0.000   NaN   NaN 0.302     364.335     400.000       9.176   17 
-    760000      152000.00      55.137      12.355      67.492   5.19 0.000 1.000 0.227 1.089     500.228     400.000       8.536   17 
-    770000      154000.00      44.456      14.020      58.476   6.98 0.143 0.750 0.301 0.607     403.327     400.000       7.110   17 
-    780000      156000.00      30.113       3.525      33.637   9.27 0.143 0.333 0.136 0.691     273.198     400.000      12.802   17 
-    790000      158000.00      44.137      19.604      63.740   6.26 0.071 0.857 0.318 0.791     400.431     400.000       7.732   17 
-    800000      160000.00      43.906      14.428      58.333   9.66 0.000   NaN   NaN 0.812     398.334     400.000      12.896   17 
-    810000      162000.00      33.929      16.410      50.339   7.98 0.071 0.750 0.159 0.705     307.818     380.000      10.885   17 
-    820000      164000.00      32.693      13.913      46.605   5.16 0.071 0.667 0.303 0.390     296.605     380.000       9.543   17 
-    830000      166000.00      30.827       7.102      37.929   9.87 0.143 0.000 0.159 0.781     279.680     380.000      12.629   17 
-    840000      168000.00      38.700       7.046      45.746   6.25 0.071 0.750 0.352 0.459     351.105     380.000       7.431   17 
-    850000      170000.00      37.686      -2.042      35.644   7.91 0.000 1.000 0.250 0.438     341.903     380.000      10.827   17 
-    860000      172000.00      38.102      15.465      53.567   8.82 0.071 0.000 0.182 0.348     345.681     380.000      12.196   17 
-    870000      174000.00      39.594      14.102      53.697   4.18 0.071 0.889 0.505 0.587     359.221     380.000       7.067   17 
-    880000      176000.00      39.498       3.973      43.470   6.85 0.000 1.000 0.159 0.264     358.342     380.000       9.741   17 
-    890000      178000.00      45.560       2.531      48.091   6.78 0.071 0.833 0.235 0.198     413.348     380.000       8.426   17 
-    900000      180000.00      36.383       6.766      43.150   5.41 0.071 0.875 0.347 0.612     330.090     380.000       8.965   17 
-    910000      182000.00      30.076       5.151      35.228   7.05 0.000 1.000 0.409 0.251     272.869     400.000       8.827   17 
-    920000      184000.00      38.298       8.587      46.886   4.65 0.143 0.500 0.159 0.729     347.463     400.000       8.546   17 
-    930000      186000.00      42.226      20.547      62.773   6.99 0.143 0.500 0.216 0.622     383.094     400.000       9.974   17 
-    940000      188000.00      48.916      11.294      60.209   7.98 0.000   NaN   NaN 0.562     443.788     400.000      11.855   17 
-    950000      190000.00      46.015      11.517      57.532  12.77 0.000   NaN   NaN 0.280     417.470     400.000      16.504   17 
-    960000      192000.00      38.090      10.611      48.701  10.24 0.071 0.000 0.182 0.356     345.576     400.000      13.760   17 
-    970000      194000.00      37.152      11.503      48.656   4.73 0.071 0.857 0.390 0.464     337.066     400.000       7.581   17 
-    980000      196000.00      48.506       7.254      55.761   4.98 0.071 0.750 0.455 0.476     440.076     400.000       8.468   17 
-    990000      198000.00      35.938       9.955      45.893   7.31 0.000 1.000 0.432 0.452     326.046     400.000       9.171   17 
-   1000000      200000.00      36.890       7.690      44.580   8.97 0.214 0.500 0.197 1.252     334.686     400.000      11.354   17 
+         0           0.00      30.746     114.043     144.789  12.87 0.000   NaN   NaN 4.850     278.947     330.000      15.552   17 
+     10000        2000.00      37.356     -13.890      23.467   3.12 0.143 0.600 0.182 0.497     338.916     330.000       7.152   17 
+     20000        4000.00      36.860     -13.275      23.586   3.35 0.429 0.571 0.253 0.555     334.417     330.000       7.222   17 
+     30000        6000.00      32.327       2.401      34.728   5.63 0.071 0.889 0.167 0.593     293.289     330.000       9.274   17 
+     40000        8000.00      33.802      -9.961      23.841   6.56 0.071 0.889 0.237 0.479     306.667     330.000       8.092   17 
+     50000       10000.00      35.390      -7.074      28.317   3.39 0.143 0.667 0.242 0.433     321.078     330.000       7.973   17 
+     60000       12000.00      28.252       3.132      31.384   7.36 0.143 0.600 0.191 0.416     256.313     330.000       9.389   17 
+     70000       14000.00      36.089      10.044      46.133   6.25 0.071 0.800 0.309 0.569     327.419     330.000       9.203   17 
+     80000       16000.00      30.737      -0.658      30.079   5.60 0.286 0.429 0.156 0.426     278.858     330.000       9.506   17 
+     90000       18000.00      27.104      -2.802      24.302   5.81 0.143 0.750 0.267 0.324     245.905     330.000       7.662   17 
+    100000       20000.00      37.517      14.791      52.307   4.87 0.143 0.600 0.282 0.850     340.371     330.000       8.118   17 
+    110000       22000.00      34.643       9.229      43.873   5.51 0.071 0.833 0.311 0.149     314.304     390.000       7.767   17 
+    120000       24000.00      35.044       1.976      37.020   5.46 0.071 0.750 0.295 0.374     317.934     390.000       8.510   17 
+    130000       26000.00      55.567      17.671      73.238   6.33 0.214 0.250 0.170 0.570     504.135     390.000       8.541   17 
+    140000       28000.00      50.996      -0.851      50.145   4.90 0.000 1.000 0.355 0.678     462.662     390.000       7.862   17 
+    150000       30000.00      34.098      14.101      48.199   6.40 0.000   NaN   NaN 0.936     309.357     390.000       9.266   17 
+    160000       32000.00      40.632      18.380      59.012   6.85 0.000   NaN   NaN 0.666     368.637     390.000      11.931   17 
+    170000       34000.00      46.769      10.738      57.507   9.15 0.000 1.000 0.136 0.836     424.317     390.000      11.819   17 
+    180000       36000.00      34.556      -5.403      29.153   4.25 0.000 1.000 0.420 0.402     313.514     390.000       8.398   17 
+    190000       38000.00      44.502      17.239      61.741   5.61 0.000 1.000 0.333 0.543     403.743     390.000       7.477   17 
+    200000       40000.00      34.109       4.741      38.850   6.78 0.000 1.000 0.364 0.360     309.455     390.000       9.215   17 
+    210000       42000.00      31.177       2.335      33.512   8.85 0.071 0.000 0.182 0.525     282.858     370.000      11.200   17 
+    220000       44000.00      34.211       6.752      40.964   8.12 0.071 0.800 0.255 0.759     310.382     370.000      10.675   17 
+    230000       46000.00      44.250       6.270      50.520   6.32 0.214 0.250 0.159 0.274     401.455     370.000       9.726   17 
+    240000       48000.00      36.370       8.790      45.159  11.17 0.071 0.000 0.136 0.561     329.964     370.000      13.932   17 
+    250000       50000.00      37.719      10.216      47.935   5.50 0.071 0.500 0.136 1.027     342.209     370.000       8.281   17 
+    260000       52000.00      36.898       1.674      38.573   6.81 0.000 1.000 0.345 0.561     334.760     370.000       8.337   17 
+    270000       54000.00      40.651      16.015      56.666   5.79 0.071 0.667 0.303 0.296     368.805     370.000       7.856   17 
+    280000       56000.00      38.870       6.901      45.771   7.30 0.071 0.500 0.159 0.238     352.646     370.000      11.982   17 
+    290000       58000.00      31.154      -4.999      26.155   4.24 0.071 0.800 0.355 0.461     282.646     370.000       7.312   17 
+    300000       60000.00      34.163       0.426      34.589   6.59 0.000 1.000 0.250 0.521     309.945     370.000       7.445   17 
+    310000       62000.00      32.095       3.736      35.831   7.75 0.143 0.500 0.170 0.292     291.185     360.000       9.097   17 
+    320000       64000.00      40.611       0.486      41.097   7.51 0.143 0.333 0.167 0.510     368.441     360.000      10.288   17 
+    330000       66000.00      34.166       1.233      35.398   7.12 0.071 0.800 0.318 0.713     309.970     360.000       7.574   17 
+    340000       68000.00      38.460       5.687      44.147   6.56 0.000 1.000 0.427 0.349     348.930     360.000       8.156   17 
+    350000       70000.00      31.057      -0.892      30.165   5.16 0.071 0.500 0.386 0.576     281.767     360.000       8.551   17 
+    360000       72000.00      37.513      14.219      51.732   4.97 0.214 0.250 0.227 0.584     340.337     360.000       8.790   17 
+    370000       74000.00      43.711       3.067      46.778   5.47 0.000 1.000 0.374 0.329     396.567     360.000       7.535   17 
+    380000       76000.00      34.875       1.417      36.291   4.88 0.000 1.000 0.330 0.797     316.401     360.000       7.367   17 
+    390000       78000.00      38.663       7.583      46.246   6.85 0.071 0.667 0.212 0.546     350.772     360.000       8.858   17 
+    400000       80000.00      40.737       1.320      42.057   6.03 0.000 1.000 0.234 0.252     369.588     360.000       7.675   17 
+    410000       82000.00      34.560      -2.652      31.908   4.75 0.071 0.750 0.250 0.912     313.545     340.000       8.417   17 
+    420000       84000.00      36.104      -0.235      35.868   4.87 0.143 0.500 0.330 0.625     327.552     340.000       8.949   17 
+    430000       86000.00      26.481      -2.747      23.734   7.67 0.286 0.556 0.187 1.170     240.247     340.000       8.912   17 
+    440000       88000.00      48.195       2.763      50.958   5.74 0.143 0.667 0.303 0.821     437.252     340.000       8.616   17 
+    450000       90000.00      35.174      -2.990      32.184   6.61 0.143 0.714 0.175 0.479     319.120     340.000       9.282   17 
+    460000       92000.00      35.473      -0.353      35.120   6.93 0.000 1.000 0.318 0.866     321.828     340.000       7.545   17 
+    470000       94000.00      30.447      -5.031      25.415   5.18 0.214 0.000 0.152 0.623     276.227     340.000       8.725   17 
+    480000       96000.00      40.393      -1.872      38.521   5.96 0.071 0.857 0.351 0.278     366.464     340.000       8.620   17 
+    490000       98000.00      30.922       2.163      33.085   6.59 0.214 0.571 0.188 0.802     280.541     340.000       9.425   17 
+    500000      100000.00      37.056      -0.026      37.029   4.04 0.143 0.600 0.209 0.190     336.187     340.000       7.525   17 
+    510000      102000.00      46.057      19.281      65.337   5.90 0.000 1.000 0.242 0.926     417.850     400.000       7.801   17 
+    520000      104000.00      38.959      16.075      55.034   6.80 0.143 0.500 0.148 0.732     353.452     400.000       9.441   17 
+    530000      106000.00      35.710      10.259      45.969   9.34 0.000 1.000 0.209 0.740     323.979     400.000      12.428   17 
+    540000      108000.00      39.960      17.876      57.836   5.61 0.000 1.000 0.330 0.674     362.538     400.000       8.560   17 
+    550000      110000.00      42.587       4.146      46.733   5.41 0.214 0.700 0.405 0.347     386.371     400.000       7.279   17 
+    560000      112000.00      39.768      10.833      50.601   6.04 0.000 1.000 0.398 0.856     360.796     400.000       8.255   17 
+    570000      114000.00      33.059      12.399      45.458   8.77 0.071 0.750 0.170 0.792     299.932     400.000      10.548   17 
+    580000      116000.00      43.338      12.690      56.028   6.59 0.071 0.800 0.282 1.021     393.186     400.000       8.982   17 
+    590000      118000.00      46.711      13.846      60.557   4.90 0.000 1.000 0.264 0.310     423.786     400.000       8.190   17 
+    600000      120000.00      46.081      11.622      57.703   7.99 0.143 0.333 0.167 0.694     418.069     400.000      11.202   17 
+    610000      122000.00      45.467       3.048      48.515   6.91 0.071 0.800 0.200 0.778     412.500     400.000      10.029   17 
+    620000      124000.00      38.385      29.823      68.209   6.10 0.071 0.500 0.159 0.561     348.252     400.000       8.942   17 
+    630000      126000.00      40.560       4.135      44.694   6.17 0.143 0.714 0.182 0.951     367.977     400.000       7.747   17 
+    640000      128000.00      42.815      12.335      55.149   5.73 0.000 1.000 0.136 0.397     388.435     400.000       8.687   17 
+    650000      130000.00      48.634      14.552      63.186  10.32 0.000 1.000 0.136 0.382     441.229     400.000      13.042   17 
+    660000      132000.00      50.190       4.329      54.519   8.63 0.143 0.714 0.195 0.384     455.348     400.000       9.985   17 
+    670000      134000.00      47.032      10.616      57.648   6.00 0.071 0.500 0.205 1.049     426.695     400.000       9.838   17 
+    680000      136000.00      39.142       9.263      48.405   5.39 0.071 0.833 0.371 0.623     355.119     400.000       8.594   17 
+    690000      138000.00      38.185      14.997      53.182   7.31 0.000 1.000 0.280 0.777     346.433     400.000      10.132   17 
+    700000      140000.00      41.538      17.941      59.479   6.33 0.000 1.000 0.485 0.597     376.853     400.000       7.452   17 
+    710000      142000.00      53.434      26.065      79.499   8.27 0.000 1.000 0.136 0.304     484.783     400.000      11.651   17 
+    720000      144000.00      38.696       5.542      44.237   8.00 0.071 0.800 0.245 0.757     351.066     400.000      10.001   17 
+    730000      146000.00      47.479      10.813      58.292   5.60 0.143 0.500 0.295 0.353     430.750     400.000       9.304   17 
+    740000      148000.00      41.459       9.515      50.975   8.21 0.071 0.750 0.205 0.647     376.139     400.000      10.334   17 
+    750000      150000.00      41.198      13.826      55.024   7.44 0.071 0.500 0.159 0.757     373.767     400.000       7.351   17 
+    760000      152000.00      59.710      24.642      84.352   9.27 0.000 1.000 0.227 0.377     541.723     400.000      12.797   17 
+    770000      154000.00      46.226       9.685      55.911   8.12 0.071 0.500 0.159 0.846     419.388     400.000      11.185   17 
+    780000      156000.00      31.096      22.008      53.104   7.33 0.000 1.000 0.136 0.639     282.117     400.000       8.571   17 
+    790000      158000.00      44.269      20.475      64.745   6.16 0.000 1.000 0.205 0.456     401.636     400.000       9.628   17 
+    800000      160000.00      40.630      19.143      59.772   7.15 0.071 0.750 0.182 0.864     368.612     400.000      10.481   17 
+    810000      162000.00      33.398      -0.242      33.156   8.07 0.071 0.750 0.216 0.693     303.008     380.000      10.623   17 
+    820000      164000.00      34.472      11.512      45.983   9.48 0.000   NaN   NaN 1.235     312.743     380.000      13.497   17 
+    830000      166000.00      29.334      13.144      42.478   6.22 0.000 1.000 0.409 0.752     266.133     380.000       7.973   17 
+    840000      168000.00      39.648       6.623      46.271   4.79 0.071 0.857 0.273 1.226     359.710     380.000       7.493   17 
+    850000      170000.00      37.493       5.641      43.134   6.36 0.071 0.889 0.424 0.664     340.152     380.000       7.116   17 
+    860000      172000.00      37.174       9.000      46.175   6.45 0.071 0.833 0.273 0.743     337.265     380.000       9.025   17 
+    870000      174000.00      41.701       5.464      47.166   4.55 0.071 0.800 0.209 0.511     378.336     380.000       8.090   17 
+    880000      176000.00      42.152       3.139      45.292   5.41 0.143 0.600 0.436 0.328     382.427     380.000       7.804   17 
+    890000      178000.00      41.248      13.779      55.027   7.28 0.000 1.000 0.273 0.654     374.222     380.000       9.015   17 
+    900000      180000.00      33.591       4.035      37.626   6.62 0.071 0.667 0.318 0.388     304.755     380.000       8.321   17 
+    910000      182000.00      27.910      -4.835      23.075   4.96 0.071 0.875 0.312 0.315     253.215     370.000       7.454   17 
+    920000      184000.00      37.655      12.553      50.208   4.59 0.000 1.000 0.273 0.653     341.625     370.000       8.450   17 
+    930000      186000.00      40.484      17.161      57.645   5.71 0.000 1.000 0.295 0.361     367.290     370.000       9.185   17 
+    940000      188000.00      46.240       9.215      55.455   6.37 0.071 0.800 0.200 0.467     419.516     370.000       8.385   17 
+    950000      190000.00      37.785       8.924      46.709   6.24 0.071 0.889 0.364 0.537     342.804     370.000       7.764   17 
+    960000      192000.00      35.596      17.028      52.624   9.71 0.071 0.500 0.205 1.149     322.944     370.000      12.303   17 
+    970000      194000.00      37.377       7.105      44.482   6.31 0.143 0.750 0.165 0.257     339.102     370.000      10.181   17 
+    980000      196000.00      44.168       2.919      47.087   7.91 0.143 0.600 0.182 0.187     400.717     370.000       9.123   17 
+    990000      198000.00      35.759      -1.164      34.594   5.44 0.143 0.500 0.170 0.520     324.422     370.000       8.720   17 
+   1000000      200000.00      34.136       2.169      36.305   7.27 0.143 0.500 0.273 0.631     309.702     370.000       9.439   17 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB018.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB018.stat
index 902bdd9..bbd11ff 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB018.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB018.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.535     115.434     148.968  12.87 0.000   NaN   NaN 4.850     304.244     290.000      15.552   18 
-     10000        2000.00      41.351     -33.858       7.492   2.78 0.357 0.706 0.353 0.762     375.155     290.000       6.510   18 
-     20000        4000.00      30.799     -34.329      -3.530   3.63 0.214 0.750 0.250 0.535     279.428     290.000       6.864   18 
-     30000        6000.00      21.609     -20.756       0.853   5.10 0.357 0.444 0.146 0.343     196.047     290.000       8.622   18 
-     40000        8000.00      26.102     -29.526      -3.424   4.13 0.500 0.364 0.178 0.430     236.812     290.000       7.929   18 
-     50000       10000.00      29.861     -29.619       0.242   2.91 0.214 0.667 0.313 0.503     270.910     290.000       6.557   18 
-     60000       12000.00      31.381     -31.283       0.097   3.64 0.429 0.400 0.245 0.419     284.700     290.000       7.673   18 
-     70000       14000.00      32.757     -28.782       3.975   3.05 0.286 0.636 0.227 0.302     297.190     290.000       6.697   18 
-     80000       16000.00      29.102     -39.232     -10.131   3.11 0.357 0.688 0.301 0.225     264.024     290.000       6.741   18 
-     90000       18000.00      32.779     -33.473      -0.694   3.77 0.143 0.867 0.385 0.418     297.389     290.000       6.310   18 
-    100000       20000.00      22.750     -28.619      -5.869   3.46 0.143 0.833 0.303 0.214     206.399     290.000       6.735   18 
-    110000       22000.00      37.998     -26.861      11.137   3.78 0.214 0.700 0.286 0.293     344.739     310.000       6.546   18 
-    120000       24000.00      33.386     -14.011      19.375   3.48 0.214 0.667 0.404 0.418     302.898     310.000       6.964   18 
-    130000       26000.00      37.123     -22.516      14.607   3.36 0.214 0.769 0.378 0.743     336.801     310.000       6.498   18 
-    140000       28000.00      29.000     -21.168       7.832   5.09 0.286 0.600 0.359 0.389     263.102     310.000       6.808   18 
-    150000       30000.00      31.068      -7.375      23.693   4.49 0.071 0.889 0.258 0.530     281.867     310.000       7.335   18 
-    160000       32000.00      33.252     -10.371      22.880   4.06 0.214 0.769 0.287 0.368     301.676     310.000       6.818   18 
-    170000       34000.00      38.011     -11.608      26.403   3.55 0.071 0.917 0.345 0.673     344.858     310.000       6.995   18 
-    180000       36000.00      33.188     -14.794      18.394   6.88 0.214 0.727 0.306 0.600     301.098     310.000       6.676   18 
-    190000       38000.00      29.638     -22.349       7.289   6.10 0.214 0.727 0.269 0.444     268.890     310.000       6.781   18 
-    200000       40000.00      33.242     -21.402      11.840   5.56 0.214 0.769 0.269 0.410     301.591     310.000       7.013   18 
-    210000       42000.00      36.344     -20.536      15.808   5.49 0.286 0.333 0.152 0.606     329.734     300.000       9.008   18 
-    220000       44000.00      30.932     -26.121       4.812   3.37 0.214 0.800 0.255 0.308     280.635     300.000       7.235   18 
-    230000       46000.00      33.202     -22.801      10.400   3.50 0.357 0.444 0.172 0.496     301.225     300.000       8.014   18 
-    240000       48000.00      35.747     -34.622       1.125   3.19 0.500 0.462 0.304 1.189     324.314     300.000       6.743   18 
-    250000       50000.00      28.965     -23.034       5.932   3.12 0.357 0.667 0.233 0.544     262.788     300.000       6.867   18 
-    260000       52000.00      34.100     -21.670      12.431   3.60 0.429 0.455 0.215 0.496     309.377     300.000       7.392   18 
-    270000       54000.00      25.335     -27.595      -2.260   2.84 0.500 0.462 0.245 0.320     229.856     300.000       7.018   18 
-    280000       56000.00      24.749     -26.708      -1.959   3.37 0.357 0.500 0.318 0.532     224.533     300.000       6.424   18 
-    290000       58000.00      33.531     -15.510      18.021   3.42 0.214 0.700 0.223 0.610     304.209     300.000       7.350   18 
-    300000       60000.00      30.476     -21.784       8.692   2.75 0.429 0.400 0.223 0.464     276.496     300.000       7.489   18 
-    310000       62000.00      28.390     -29.325      -0.935   3.17 0.357 0.688 0.381 0.376     257.568     300.000       6.550   18 
-    320000       64000.00      28.047     -31.478      -3.431   3.28 0.143 0.800 0.227 0.796     254.455     300.000       7.420   18 
-    330000       66000.00      32.422     -30.187       2.234   3.25 0.286 0.692 0.245 0.722     294.145     300.000       6.336   18 
-    340000       68000.00      28.886     -24.049       4.837   4.43 0.357 0.722 0.283 0.595     262.069     300.000       6.665   18 
-    350000       70000.00      30.292     -20.187      10.105   3.91 0.429 0.500 0.212 0.589     274.828     300.000       6.592   18 
-    360000       72000.00      24.196     -14.100      10.096   2.93 0.143 0.667 0.280 0.596     219.523     300.000       7.228   18 
-    370000       74000.00      33.302     -20.242      13.060   3.20 0.071 0.857 0.468 0.559     302.136     300.000       6.907   18 
-    380000       76000.00      35.905     -23.239      12.666   3.05 0.214 0.750 0.345 0.643     325.749     300.000       7.244   18 
-    390000       78000.00      29.857     -26.240       3.617   2.44 0.429 0.500 0.261 0.450     270.875     300.000       7.161   18 
-    400000       80000.00      33.157     -19.942      13.215   3.93 0.357 0.500 0.300 0.928     300.813     300.000       6.806   18 
-    410000       82000.00      38.076      -7.801      30.275   3.27 0.286 0.429 0.188 0.639     345.445     320.000       7.612   18 
-    420000       84000.00      34.687      -2.805      31.882   7.83 0.071 0.750 0.170 0.497     314.695     320.000      10.614   18 
-    430000       86000.00      34.320     -13.187      21.133   2.47 0.286 0.636 0.322 0.759     311.369     320.000       7.220   18 
-    440000       88000.00      30.113     -10.194      19.919   4.19 0.143 0.750 0.176 0.721     273.201     320.000       8.234   18 
-    450000       90000.00      27.136     -18.718       8.418   4.86 0.071 0.900 0.314 0.411     246.194     320.000       7.387   18 
-    460000       92000.00      28.950     -12.585      16.365   7.05 0.214 0.500 0.167 0.255     262.646     320.000       9.797   18 
-    470000       94000.00      27.008      -5.821      21.188   5.13 0.143 0.714 0.331 0.228     245.032     320.000       7.203   18 
-    480000       96000.00      33.433     -12.519      20.914   3.13 0.286 0.667 0.322 0.501     303.325     320.000       7.138   18 
-    490000       98000.00      35.757     -12.009      23.748   5.04 0.143 0.714 0.156 0.235     324.410     320.000       8.099   18 
-    500000      100000.00      36.207      -0.365      35.842   7.26 0.214 0.700 0.191 0.735     328.488     320.000       9.080   18 
-    510000      102000.00      29.389     -16.405      12.984   6.14 0.214 0.750 0.227 0.499     266.635     310.000       7.047   18 
-    520000      104000.00      30.731     -14.835      15.896   4.69 0.214 0.769 0.266 0.654     278.808     310.000       6.736   18 
-    530000      106000.00      28.953     -22.382       6.571   3.60 0.143 0.867 0.291 0.345     262.676     310.000       7.004   18 
-    540000      108000.00      27.195     -23.953       3.242   2.82 0.286 0.556 0.313 0.754     246.730     310.000       7.140   18 
-    550000      110000.00      32.395     -15.002      17.393   3.52 0.071 0.875 0.341 0.760     293.900     310.000       7.429   18 
-    560000      112000.00      29.194     -11.875      17.319   3.56 0.071 0.833 0.189 0.133     264.859     310.000       7.323   18 
-    570000      114000.00      25.670     -19.385       6.285   4.52 0.071 0.933 0.294 0.613     232.888     310.000       6.749   18 
-    580000      116000.00      34.710     -10.227      24.483   4.67 0.357 0.500 0.255 0.804     314.908     310.000       6.564   18 
-    590000      118000.00      29.201     -19.002      10.199   3.67 0.214 0.571 0.227 0.573     264.923     310.000       7.165   18 
-    600000      120000.00      24.217     -22.865       1.351   3.40 0.286 0.733 0.294 0.306     219.706     310.000       6.590   18 
-    610000      122000.00      25.556     -28.533      -2.977   3.32 0.071 0.909 0.318 0.719     231.853     300.000       7.383   18 
-    620000      124000.00      33.221     -13.989      19.232   5.18 0.214 0.571 0.169 0.302     301.402     300.000       7.960   18 
-    630000      126000.00      32.282     -26.979       5.303   3.57 0.214 0.769 0.304 0.392     292.877     300.000       6.510   18 
-    640000      128000.00      30.497     -19.712      10.785   5.26 0.143 0.667 0.174 0.220     276.680     300.000       8.646   18 
-    650000      130000.00      26.298     -30.833      -4.534   2.76 0.214 0.800 0.248 0.331     238.592     300.000       6.579   18 
-    660000      132000.00      34.693     -16.795      17.897   7.18 0.286 0.429 0.143 0.194     314.749     300.000       9.632   18 
-    670000      134000.00      31.330     -21.108      10.222   3.21 0.357 0.500 0.205 0.653     284.242     300.000       7.115   18 
-    680000      136000.00      28.195     -26.871       1.325   6.10 0.071 0.900 0.209 0.398     255.801     300.000       8.237   18 
-    690000      138000.00      34.412     -11.438      22.974   5.70 0.286 0.429 0.182 0.678     312.203     300.000       7.120   18 
-    700000      140000.00      37.455     -16.647      20.808   3.99 0.286 0.556 0.328 1.240     339.808     300.000       7.069   18 
-    710000      142000.00      38.748     -14.689      24.059   6.26 0.286 0.692 0.304 1.231     351.540     310.000       7.438   18 
-    720000      144000.00      26.668      -0.641      26.027   4.61 0.071 0.750 0.239 0.207     241.947     310.000       8.363   18 
-    730000      146000.00      24.444     -15.873       8.571   5.28 0.143 0.818 0.302 0.528     221.772     310.000       7.402   18 
-    740000      148000.00      26.532     -16.228      10.303   5.44 0.214 0.786 0.221 0.521     240.708     310.000       7.599   18 
-    750000      150000.00      33.982     -18.321      15.661   4.63 0.214 0.700 0.205 0.368     308.302     310.000       7.533   18 
-    760000      152000.00      34.801     -19.829      14.972   2.40 0.286 0.556 0.303 0.471     315.731     310.000       7.225   18 
-    770000      154000.00      31.745     -20.845      10.900   3.00 0.214 0.625 0.290 0.556     288.008     310.000       7.027   18 
-    780000      156000.00      31.693      -6.916      24.777   7.72 0.143 0.500 0.148 1.051     287.537     310.000      10.464   18 
-    790000      158000.00      29.352     -25.235       4.118   3.11 0.214 0.700 0.268 0.322     266.299     310.000       6.926   18 
-    800000      160000.00      35.374     -20.236      15.138   3.87 0.071 0.857 0.195 0.498     320.930     310.000       7.559   18 
-    810000      162000.00      32.288     -18.576      13.712   4.07 0.214 0.625 0.210 0.794     292.937     320.000       8.014   18 
-    820000      164000.00      44.590      -3.636      40.954   7.46 0.214 0.700 0.191 0.761     404.546     320.000       8.284   18 
-    830000      166000.00      34.471      -5.527      28.944   5.45 0.214 0.400 0.218 0.561     312.740     320.000       8.397   18 
-    840000      168000.00      37.439     -17.795      19.644   3.15 0.143 0.714 0.175 0.620     339.667     320.000       7.797   18 
-    850000      170000.00      30.555      -5.760      24.794   7.92 0.214 0.667 0.207 0.411     277.207     320.000      10.963   18 
-    860000      172000.00      28.055     -11.254      16.801   4.65 0.143 0.667 0.235 0.717     254.529     320.000       7.242   18 
-    870000      174000.00      28.647       9.201      37.847   5.46 0.143 0.600 0.155 0.550     259.898     320.000       9.219   18 
-    880000      176000.00      33.577     -13.114      20.463   5.06 0.214 0.786 0.315 0.394     304.625     320.000       6.398   18 
-    890000      178000.00      35.008     -24.626      10.382   6.20 0.071 0.900 0.291 0.578     317.612     320.000       6.836   18 
-    900000      180000.00      36.959     -11.142      25.817   6.40 0.143 0.778 0.247 0.890     335.313     320.000       8.062   18 
-    910000      182000.00      43.505       4.590      48.096   9.39 0.071 0.667 0.136 0.795     394.704     350.000      11.544   18 
-    920000      184000.00      34.691       4.421      39.111   4.76 0.071 0.750 0.250 0.688     314.731     350.000       8.630   18 
-    930000      186000.00      44.998       3.834      48.832   6.20 0.000 1.000 0.227 0.316     408.244     350.000       8.726   18 
-    940000      188000.00      35.153      -6.159      28.994   5.43 0.000 1.000 0.325 0.437     318.927     350.000       6.947   18 
-    950000      190000.00      38.580       6.956      45.536   6.82 0.143 0.500 0.148 0.416     350.016     350.000      10.091   18 
-    960000      192000.00      39.845       2.401      42.246   5.05 0.071 0.667 0.212 0.276     361.494     350.000       8.657   18 
-    970000      194000.00      39.521      -1.423      38.098   5.99 0.143 0.600 0.182 0.489     358.554     350.000       9.021   18 
-    980000      196000.00      31.921       2.153      34.074   5.55 0.214 0.500 0.205 1.005     289.603     350.000       9.115   18 
-    990000      198000.00      35.808       3.036      38.844   6.62 0.143 0.600 0.309 0.613     324.870     350.000       7.877   18 
-   1000000      200000.00      39.252      11.139      50.392   6.19 0.000 1.000 0.197 1.181     356.118     350.000       8.287   18 
+         0           0.00      39.317     113.732     153.048  12.87 0.000   NaN   NaN 4.850     356.700     340.000      15.552   18 
+     10000        2000.00      45.138      -0.911      44.226   4.31 0.071 0.857 0.286 0.718     409.513     340.000       6.852   18 
+     20000        4000.00      37.320      15.373      52.693   8.77 0.000   NaN   NaN 0.672     338.586     340.000      11.744   18 
+     30000        6000.00      26.354       5.724      32.078   6.48 0.071 0.800 0.445 0.608     239.100     340.000       8.707   18 
+     40000        8000.00      32.573       3.162      35.735   7.38 0.071 0.500 0.159 0.522     295.518     340.000      10.581   18 
+     50000       10000.00      36.418       1.407      37.825   8.05 0.000 1.000 0.205 0.198     330.406     340.000      10.519   18 
+     60000       12000.00      34.767      10.867      45.634   6.48 0.071 0.875 0.381 1.163     315.427     340.000       7.581   18 
+     70000       14000.00      36.062      -6.371      29.691   5.22 0.143 0.818 0.360 0.877     327.171     340.000       7.223   18 
+     80000       16000.00      34.224      -3.406      30.818   8.33 0.000 1.000 0.182 0.652     310.497     340.000      10.338   18 
+     90000       18000.00      34.808      11.926      46.734   6.49 0.000 1.000 0.273 0.341     315.794     340.000      10.691   18 
+    100000       20000.00      29.074      -2.140      26.934   5.52 0.143 0.667 0.250 0.216     263.774     340.000       7.848   18 
+    110000       22000.00      37.954      -4.417      33.537   4.12 0.143 0.714 0.208 0.565     344.336     330.000       7.687   18 
+    120000       24000.00      38.188       4.887      43.075   5.56 0.071 0.667 0.152 0.616     346.466     330.000       7.974   18 
+    130000       26000.00      37.739       6.965      44.703   7.56 0.071 0.875 0.193 0.648     342.385     330.000      10.370   18 
+    140000       28000.00      34.821     -14.842      19.979   5.11 0.143 0.818 0.293 0.770     315.910     330.000       7.909   18 
+    150000       30000.00      31.636     -10.120      21.517   5.73 0.143 0.800 0.227 0.607     287.022     330.000       7.950   18 
+    160000       32000.00      33.618      -9.068      24.550   3.88 0.286 0.636 0.248 0.677     304.999     330.000       6.994   18 
+    170000       34000.00      41.235       1.384      42.619   7.19 0.071 0.750 0.170 0.338     374.105     330.000       8.397   18 
+    180000       36000.00      33.867      -0.280      33.587   5.61 0.000 1.000 0.295 0.893     307.255     330.000       7.883   18 
+    190000       38000.00      32.049       3.716      35.765   8.53 0.143 0.714 0.221 0.601     290.762     330.000      10.885   18 
+    200000       40000.00      35.313     -15.432      19.881   4.35 0.143 0.778 0.253 0.694     320.380     330.000       6.905   18 
+    210000       42000.00      41.352      -1.896      39.457   3.89 0.214 0.625 0.159 0.423     375.170     330.000       8.509   18 
+    220000       44000.00      34.713      -2.217      32.497   7.43 0.143 0.667 0.227 0.206     314.938     330.000       9.726   18 
+    230000       46000.00      34.188       4.102      38.290   6.26 0.214 0.571 0.169 0.348     310.175     330.000       8.522   18 
+    240000       48000.00      40.868      -7.903      32.965   6.20 0.143 0.800 0.286 1.028     370.775     330.000       8.026   18 
+    250000       50000.00      27.126      -7.786      19.341   4.72 0.143 0.714 0.273 0.285     246.105     330.000       6.761   18 
+    260000       52000.00      35.713      10.167      45.880   7.47 0.071 0.833 0.303 0.559     324.005     330.000       8.992   18 
+    270000       54000.00      29.208       6.790      35.998   5.82 0.214 0.250 0.239 0.536     264.990     330.000       8.290   18 
+    280000       56000.00      29.342     -23.971       5.371   3.45 0.429 0.400 0.186 0.482     266.209     330.000       7.896   18 
+    290000       58000.00      36.967      -9.612      27.354   4.23 0.143 0.600 0.200 1.530     335.382     330.000       7.763   18 
+    300000       60000.00      31.992       3.934      35.926   7.69 0.071 0.800 0.182 0.550     290.244     330.000       9.396   18 
+    310000       62000.00      31.625       0.848      32.473   7.62 0.071 0.750 0.216 0.453     286.917     330.000       9.019   18 
+    320000       64000.00      32.473      -2.020      30.453   3.72 0.357 0.500 0.205 0.607     294.610     330.000       7.385   18 
+    330000       66000.00      37.083      -7.506      29.577   5.56 0.143 0.500 0.216 0.811     336.437     330.000       8.546   18 
+    340000       68000.00      31.885     -20.015      11.869   4.33 0.286 0.750 0.369 0.363     289.276     330.000       7.169   18 
+    350000       70000.00      34.840      -1.005      33.835   7.57 0.143 0.750 0.216 1.205     316.085     330.000       9.233   18 
+    360000       72000.00      30.852       0.857      31.709   4.76 0.286 0.600 0.159 0.467     279.902     330.000       8.956   18 
+    370000       74000.00      33.346      -7.846      25.500   7.04 0.143 0.846 0.350 0.357     302.533     330.000       6.837   18 
+    380000       76000.00      38.770     -13.522      25.248   4.84 0.143 0.833 0.428 0.757     351.742     330.000       6.417   18 
+    390000       78000.00      31.769      -1.937      29.832   5.34 0.071 0.800 0.182 0.265     288.222     330.000       8.944   18 
+    400000       80000.00      37.757      -1.032      36.725   8.63 0.143 0.667 0.197 0.465     342.551     330.000       9.891   18 
+    410000       82000.00      39.157     -19.836      19.321   3.87 0.214 0.812 0.386 0.679     355.253     330.000       6.210   18 
+    420000       84000.00      35.388       0.180      35.568   3.98 0.143 0.500 0.273 0.501     321.061     330.000       7.619   18 
+    430000       86000.00      35.985     -24.668      11.317   3.01 0.286 0.636 0.178 0.388     326.474     330.000       7.414   18 
+    440000       88000.00      31.377      -9.278      22.099   5.71 0.143 0.600 0.191 0.834     284.669     330.000      10.258   18 
+    450000       90000.00      27.391      -2.994      24.397   3.53 0.286 0.556 0.232 0.593     248.504     330.000       7.108   18 
+    460000       92000.00      27.836       2.331      30.167   4.56 0.071 0.857 0.201 0.261     252.542     330.000       8.011   18 
+    470000       94000.00      26.628     -10.843      15.785   5.52 0.143 0.714 0.234 0.208     241.582     330.000       8.564   18 
+    480000       96000.00      36.032      -1.549      34.483   4.56 0.143 0.750 0.312 0.710     326.899     330.000       7.738   18 
+    490000       98000.00      36.551      -5.312      31.239   3.93 0.143 0.800 0.259 0.236     331.609     330.000       7.597   18 
+    500000      100000.00      38.349      -7.973      30.377   7.11 0.214 0.727 0.331 0.860     347.925     330.000       7.717   18 
+    510000      102000.00      32.585     -12.020      20.565   4.30 0.286 0.600 0.286 0.261     295.630     330.000       7.024   18 
+    520000      104000.00      35.944     -11.749      24.195   4.35 0.357 0.545 0.256 0.279     326.107     330.000       7.491   18 
+    530000      106000.00      32.094      -4.170      27.924   4.37 0.143 0.667 0.227 1.026     291.177     330.000       7.449   18 
+    540000      108000.00      31.020       8.199      39.219   4.11 0.071 0.750 0.398 0.427     281.432     330.000       7.850   18 
+    550000      110000.00      36.430     -12.657      23.773   4.89 0.143 0.857 0.373 0.629     330.513     330.000       6.652   18 
+    560000      112000.00      29.989       1.546      31.535   5.07 0.000   NaN   NaN 0.818     272.074     330.000       8.716   18 
+    570000      114000.00      30.532      -2.475      28.057   5.87 0.143 0.778 0.298 0.892     277.000     330.000       7.657   18 
+    580000      116000.00      37.314     -10.811      26.502   4.55 0.143 0.778 0.318 0.512     338.528     330.000       7.396   18 
+    590000      118000.00      32.617      -2.024      30.593   4.92 0.143 0.778 0.495 0.582     295.919     330.000       6.980   18 
+    600000      120000.00      25.526      -4.926      20.601   5.46 0.071 0.923 0.367 0.378     231.588     330.000       7.161   18 
+    610000      122000.00      27.826      -8.031      19.795   6.20 0.143 0.750 0.165 0.387     252.454     330.000       7.371   18 
+    620000      124000.00      37.361     -17.226      20.135   3.69 0.286 0.429 0.247 0.559     338.958     330.000       6.999   18 
+    630000      126000.00      35.690     -18.676      17.015   3.65 0.214 0.625 0.324 0.279     323.800     330.000       7.306   18 
+    640000      128000.00      29.319       0.274      29.593   7.35 0.000 1.000 0.227 0.402     265.996     330.000       8.258   18 
+    650000      130000.00      30.810      -2.639      28.171   5.24 0.000 1.000 0.209 0.206     279.529     330.000       9.210   18 
+    660000      132000.00      38.017       1.050      39.067   7.04 0.000 1.000 0.227 0.731     344.913     330.000       9.625   18 
+    670000      134000.00      34.677       1.109      35.787   6.16 0.071 0.800 0.464 0.328     314.612     330.000       8.884   18 
+    680000      136000.00      32.980      -5.134      27.846   3.25 0.214 0.700 0.336 0.206     299.212     330.000       6.981   18 
+    690000      138000.00      38.070     -13.932      24.138   3.73 0.143 0.714 0.286 0.461     345.386     330.000       6.929   18 
+    700000      140000.00      43.446      -8.240      35.206   4.88 0.071 0.833 0.227 0.186     394.168     330.000       8.331   18 
+    710000      142000.00      40.079      -6.121      33.958   6.12 0.000 1.000 0.291 0.917     363.614     340.000       7.761   18 
+    720000      144000.00      27.483      -3.903      23.580   5.93 0.143 0.800 0.268 0.437     249.340     340.000       7.529   18 
+    730000      146000.00      28.736       8.978      37.715   5.97 0.071 0.750 0.227 0.199     260.712     340.000       7.932   18 
+    740000      148000.00      33.480      -2.030      31.450   5.29 0.000 1.000 0.306 0.261     303.750     340.000       8.463   18 
+    750000      150000.00      38.256      -2.919      35.337   5.04 0.143 0.833 0.333 1.270     347.079     340.000       7.505   18 
+    760000      152000.00      38.850       9.098      47.948   4.22 0.214 0.667 0.409 0.501     352.464     340.000       7.946   18 
+    770000      154000.00      35.234       2.743      37.977   6.29 0.214 0.700 0.195 0.836     319.665     340.000       9.037   18 
+    780000      156000.00      36.373      -3.703      32.670   7.29 0.214 0.700 0.218 0.789     329.992     340.000       8.374   18 
+    790000      158000.00      34.130      -3.829      30.301   5.25 0.143 0.714 0.201 0.238     309.644     340.000       7.947   18 
+    800000      160000.00      41.641      -0.184      41.457   4.59 0.214 0.571 0.312 0.751     377.788     340.000       7.839   18 
+    810000      162000.00      38.221       4.209      42.430   4.69 0.000 1.000 0.261 0.636     346.763     350.000       8.172   18 
+    820000      164000.00      50.638      14.753      65.391   8.06 0.071 0.500 0.159 0.973     459.416     350.000      11.722   18 
+    830000      166000.00      35.036       7.983      43.019   4.56 0.286 0.692 0.399 0.382     317.862     350.000       7.284   18 
+    840000      168000.00      45.344      -0.345      44.999   5.05 0.071 0.833 0.288 0.306     411.388     350.000       7.883   18 
+    850000      170000.00      36.467      -5.509      30.958   6.71 0.143 0.750 0.324 1.236     330.844     350.000       6.838   18 
+    860000      172000.00      30.617     -16.342      14.275   4.29 0.143 0.889 0.417 0.186     277.769     350.000       6.755   18 
+    870000      174000.00      33.275       8.826      42.101   5.85 0.000 1.000 0.174 0.453     301.884     350.000       9.312   18 
+    880000      176000.00      34.718       7.180      41.899   4.95 0.071 0.857 0.552 0.398     314.981     350.000       7.258   18 
+    890000      178000.00      37.405       8.598      46.004   6.24 0.071 0.500 0.250 1.241     339.361     350.000       8.564   18 
+    900000      180000.00      39.082       8.807      47.889   7.50 0.071 0.500 0.159 0.449     354.570     350.000      12.091   18 
+    910000      182000.00      45.906       1.371      47.277  10.05 0.214 0.250 0.148 0.475     416.486     340.000      11.893   18 
+    920000      184000.00      35.102      -7.446      27.656   3.68 0.071 0.833 0.303 0.489     318.466     340.000       7.777   18 
+    930000      186000.00      43.219      -4.698      38.521   5.31 0.143 0.800 0.364 0.251     392.102     340.000       7.532   18 
+    940000      188000.00      32.820      -4.021      28.799   3.61 0.143 0.800 0.277 0.762     297.756     340.000       7.091   18 
+    950000      190000.00      37.121     -11.250      25.871   5.56 0.000 1.000 0.282 0.637     336.785     340.000       7.701   18 
+    960000      192000.00      38.736      -6.734      32.002   6.92 0.071 0.833 0.227 0.544     351.436     340.000       8.359   18 
+    970000      194000.00      39.895      -6.422      33.473   3.67 0.286 0.667 0.356 0.371     361.945     340.000       6.883   18 
+    980000      196000.00      29.619       4.198      33.818   8.07 0.071 0.833 0.159 0.817     268.720     340.000       9.932   18 
+    990000      198000.00      32.044      -5.325      26.718   3.27 0.214 0.571 0.338 0.968     290.718     340.000       6.991   18 
+   1000000      200000.00      37.512       8.465      45.977   7.87 0.071 0.875 0.182 0.890     340.331     340.000       8.823   18 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB019.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB019.stat
index e224aa4..9d52375 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB019.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB019.stat
@@ -1,101 +1,101 @@
-         0           0.00      35.676     115.434     151.109  12.87 0.000   NaN   NaN 4.850     323.668     290.000      15.552   19 
-     10000        2000.00      24.334     -23.831       0.503   3.75 0.357 0.583 0.356 0.711     220.773     290.000       6.726   19 
-     20000        4000.00      30.024     -35.870      -5.845   3.54 0.286 0.636 0.182 0.600     272.396     290.000       6.985   19 
-     30000        6000.00      28.496     -32.943      -4.447   3.56 0.143 0.857 0.331 0.500     258.526     290.000       6.745   19 
-     40000        8000.00      28.064     -39.307     -11.243   2.88 0.214 0.750 0.258 0.483     254.609     290.000       6.789   19 
-     50000       10000.00      40.366     -28.815      11.551   3.79 0.286 0.556 0.177 0.414     366.218     290.000       7.424   19 
-     60000       12000.00      28.410     -33.129      -4.720   4.85 0.143 0.818 0.182 0.644     257.748     290.000       7.716   19 
-     70000       14000.00      26.937     -26.139       0.798   3.29 0.214 0.700 0.341 0.477     244.390     290.000       6.861   19 
-     80000       16000.00      28.447     -29.111      -0.664   2.88 0.286 0.714 0.289 0.373     258.086     290.000       6.768   19 
-     90000       18000.00      35.845     -25.513      10.332   3.47 0.286 0.778 0.356 0.439     325.209     290.000       6.913   19 
-    100000       20000.00      27.046     -24.978       2.068   4.59 0.071 0.929 0.266 0.511     245.377     290.000       6.802   19 
-    110000       22000.00      34.414      -9.327      25.087   5.43 0.143 0.778 0.222 0.851     312.222     320.000       7.846   19 
-    120000       24000.00      27.510      -4.094      23.416   7.73 0.143 0.714 0.182 0.502     249.588     320.000      10.069   19 
-    130000       26000.00      32.274      -9.823      22.451   5.87 0.143 0.750 0.267 0.646     292.806     320.000       7.213   19 
-    140000       28000.00      18.246      -6.208      12.038   4.12 0.071 0.833 0.182 0.257     165.539     320.000       7.982   19 
-    150000       30000.00      34.336     -19.923      14.413   3.55 0.357 0.583 0.307 0.679     311.512     320.000       6.913   19 
-    160000       32000.00      27.087      -5.550      21.537   3.83 0.214 0.667 0.419 0.200     245.745     320.000       6.841   19 
-    170000       34000.00      47.092     -15.470      31.621   2.87 0.143 0.778 0.212 0.687     427.239     320.000       7.115   19 
-    180000       36000.00      48.062     -13.737      34.325   6.01 0.143 0.600 0.173 0.412     436.041     320.000       8.461   19 
-    190000       38000.00      27.630     -10.589      17.042   4.19 0.214 0.769 0.294 0.186     250.676     320.000       7.517   19 
-    200000       40000.00      39.997     -11.873      28.124   4.10 0.357 0.444 0.177 0.358     362.872     320.000       8.517   19 
-    210000       42000.00      24.723     -43.413     -18.690   2.65 0.286 0.765 0.278 0.827     224.298     290.000       6.626   19 
-    220000       44000.00      25.952     -31.769      -5.817   2.88 0.357 0.500 0.318 0.737     235.452     290.000       6.769   19 
-    230000       46000.00      27.916     -28.994      -1.077   2.82 0.357 0.583 0.239 0.495     253.273     290.000       6.735   19 
-    240000       48000.00      26.970     -31.456      -4.486   3.38 0.071 0.929 0.334 0.288     244.684     290.000       7.011   19 
-    250000       50000.00      28.325     -30.031      -1.706   2.86 0.214 0.750 0.280 1.433     256.982     290.000       6.766   19 
-    260000       52000.00      39.556     -20.249      19.306   3.52 0.429 0.500 0.201 0.873     358.869     290.000       7.313   19 
-    270000       54000.00      30.084     -37.243      -7.159   2.67 0.357 0.615 0.252 0.438     272.934     290.000       6.819   19 
-    280000       56000.00      33.874     -23.448      10.426   2.70 0.357 0.545 0.207 0.805     307.326     290.000       7.353   19 
-    290000       58000.00      38.607     -30.409       8.197   4.18 0.500 0.562 0.324 0.630     350.259     290.000       6.737   19 
-    300000       60000.00      37.651     -24.216      13.434   4.17 0.357 0.643 0.331 0.123     341.585     290.000       6.768   19 
-    310000       62000.00      33.558     -18.630      14.928   4.34 0.429 0.600 0.242 0.453     304.452     290.000       6.648   19 
-    320000       64000.00      26.394     -32.169      -5.775   2.72 0.286 0.733 0.270 0.593     239.460     290.000       6.820   19 
-    330000       66000.00      26.096     -25.678       0.418   5.59 0.286 0.636 0.161 0.341     236.760     290.000       8.942   19 
-    340000       68000.00      27.713     -36.003      -8.290   2.94 0.214 0.769 0.304 1.020     251.428     290.000       6.457   19 
-    350000       70000.00      32.169     -36.686      -4.517   2.90 0.286 0.733 0.339 0.251     291.850     290.000       7.194   19 
-    360000       72000.00      31.960     -26.245       5.714   2.43 0.357 0.643 0.256 0.394     289.955     290.000       6.639   19 
-    370000       74000.00      31.706     -35.354      -3.649   3.02 0.429 0.647 0.388 0.561     287.649     290.000       6.575   19 
-    380000       76000.00      36.083     -25.732      10.351   2.77 0.214 0.667 0.212 0.338     327.367     290.000       7.149   19 
-    390000       78000.00      30.792     -31.194      -0.402   2.60 0.286 0.636 0.244 0.290     279.360     290.000       6.850   19 
-    400000       80000.00      25.218     -31.409      -6.191   3.02 0.286 0.692 0.287 0.258     228.788     290.000       6.938   19 
-    410000       82000.00      31.357     -24.455       6.902   3.45 0.357 0.615 0.241 0.735     284.488     290.000       6.646   19 
-    420000       84000.00      34.728     -37.352      -2.624   3.74 0.286 0.714 0.325 0.217     315.070     290.000       6.547   19 
-    430000       86000.00      28.539     -25.109       3.430   3.45 0.286 0.636 0.252 0.507     258.919     290.000       6.918   19 
-    440000       88000.00      26.166     -13.635      12.530   7.06 0.143 0.846 0.248 0.590     237.390     290.000       8.067   19 
-    450000       90000.00      30.756     -24.005       6.751   5.44 0.000 1.000 0.314 0.194     279.038     290.000       8.092   19 
-    460000       92000.00      32.301     -29.711       2.590   5.23 0.000 1.000 0.305 0.373     293.049     290.000       7.619   19 
-    470000       94000.00      29.656     -21.731       7.925   6.18 0.000 1.000 0.253 0.470     269.050     290.000       7.749   19 
-    480000       96000.00      31.560     -19.718      11.842   3.70 0.000 1.000 0.281 0.738     286.329     290.000       6.764   19 
-    490000       98000.00      28.767     -19.567       9.200   4.80 0.071 0.900 0.223 0.537     260.985     290.000       7.681   19 
-    500000      100000.00      29.658     -33.028      -3.370   3.81 0.071 0.923 0.266 0.272     269.074     290.000       6.704   19 
-    510000      102000.00      28.632     -33.223      -4.591   3.78 0.143 0.833 0.261 0.270     259.765     290.000       6.727   19 
-    520000      104000.00      33.517     -22.204      11.314   5.64 0.071 0.900 0.250 0.327     304.087     290.000       7.926   19 
-    530000      106000.00      30.114     -33.958      -3.844   3.22 0.286 0.600 0.264 1.110     273.208     290.000       7.021   19 
-    540000      108000.00      26.578     -37.089     -10.511   3.74 0.286 0.778 0.394 0.418     241.128     290.000       6.298   19 
-    550000      110000.00      29.383     -26.821       2.562   5.34 0.286 0.333 0.159 0.184     266.574     290.000       8.741   19 
-    560000      112000.00      23.525     -25.115      -1.590   4.33 0.214 0.769 0.409 1.292     213.430     290.000       6.933   19 
-    570000      114000.00      32.374     -27.893       4.481   3.30 0.214 0.700 0.286 0.179     293.717     290.000       6.763   19 
-    580000      116000.00      30.092     -33.836      -3.745   2.77 0.214 0.727 0.244 0.394     273.007     290.000       7.017   19 
-    590000      118000.00      36.120     -36.630      -0.511   3.30 0.286 0.667 0.337 0.385     327.696     290.000       6.633   19 
-    600000      120000.00      31.975     -40.518      -8.542   2.73 0.286 0.733 0.330 0.461     290.094     290.000       6.740   19 
-    610000      122000.00      30.102     -32.934      -2.832   3.56 0.286 0.733 0.300 0.435     273.102     290.000       6.631   19 
-    620000      124000.00      34.083     -36.443      -2.360   3.06 0.214 0.786 0.383 1.133     309.221     290.000       7.173   19 
-    630000      126000.00      28.099     -20.817       7.281   3.06 0.357 0.375 0.165 0.440     254.926     290.000       7.582   19 
-    640000      128000.00      26.829     -27.323      -0.494   3.26 0.214 0.667 0.227 0.465     243.404     290.000       7.754   19 
-    650000      130000.00      24.095     -30.467      -6.372   3.64 0.143 0.800 0.250 0.370     218.605     290.000       6.800   19 
-    660000      132000.00      27.698     -36.563      -8.865   2.73 0.286 0.667 0.284 0.387     251.293     290.000       6.460   19 
-    670000      134000.00      33.448     -38.146      -4.698   3.37 0.357 0.688 0.307 0.482     303.455     290.000       6.434   19 
-    680000      136000.00      28.467     -32.458      -3.992   2.75 0.429 0.500 0.311 0.913     258.264     290.000       6.743   19 
-    690000      138000.00      27.867     -20.985       6.882   4.37 0.429 0.400 0.173 0.330     252.826     290.000       8.211   19 
-    700000      140000.00      30.914     -29.485       1.429   2.89 0.286 0.636 0.314 0.681     280.472     290.000       6.953   19 
-    710000      142000.00      35.388     -20.023      15.365   3.31 0.357 0.545 0.326 0.410     321.058     300.000       7.321   19 
-    720000      144000.00      32.153     -22.101      10.052   5.18 0.071 0.900 0.227 0.608     291.708     300.000       7.061   19 
-    730000      146000.00      28.286     -28.891      -0.605   4.72 0.143 0.800 0.327 0.265     256.624     300.000       6.806   19 
-    740000      148000.00      31.562     -24.813       6.750   2.87 0.500 0.417 0.258 0.811     286.351     300.000       7.385   19 
-    750000      150000.00      30.344     -22.292       8.052   3.11 0.214 0.786 0.503 0.271     275.301     300.000       6.872   19 
-    760000      152000.00      25.364     -20.645       4.719   3.44 0.143 0.867 0.415 0.220     230.115     300.000       6.650   19 
-    770000      154000.00      38.750     -31.305       7.445   3.37 0.143 0.857 0.425 0.675     351.557     300.000       6.571   19 
-    780000      156000.00      34.245     -17.423      16.822   4.44 0.143 0.800 0.195 0.338     310.692     300.000       7.542   19 
-    790000      158000.00      30.322     -17.882      12.441   4.04 0.143 0.818 0.227 0.189     275.099     300.000       7.657   19 
-    800000      160000.00      25.458     -23.316       2.143   2.73 0.214 0.727 0.273 0.460     230.972     300.000       6.909   19 
-    810000      162000.00      24.782     -25.094      -0.313   3.12 0.214 0.786 0.370 0.350     224.831     290.000       6.257   19 
-    820000      164000.00      30.738     -24.149       6.589   2.34 0.357 0.545 0.289 0.742     278.875     290.000       6.935   19 
-    830000      166000.00      25.862     -36.727     -10.865   2.82 0.357 0.615 0.325 0.393     234.633     290.000       6.760   19 
-    840000      168000.00      31.545     -33.772      -2.227   2.78 0.286 0.765 0.310 0.537     286.195     290.000       6.491   19 
-    850000      170000.00      30.323     -33.440      -3.117   5.52 0.214 0.750 0.208 0.855     275.110     290.000       6.999   19 
-    860000      172000.00      26.766     -25.756       1.010   5.80 0.143 0.800 0.209 0.567     242.836     290.000       7.843   19 
-    870000      174000.00      30.668     -27.909       2.759   3.53 0.286 0.733 0.300 1.220     278.236     290.000       6.605   19 
-    880000      176000.00      38.010     -38.078      -0.068   3.10 0.429 0.500 0.212 0.556     344.849     290.000       6.878   19 
-    890000      178000.00      30.583     -32.748      -2.165   3.06 0.429 0.667 0.283 0.464     277.461     290.000       6.684   19 
-    900000      180000.00      32.581     -34.248      -1.666   3.08 0.357 0.643 0.192 0.776     295.595     290.000       7.266   19 
-    910000      182000.00      26.689     -14.406      12.283   3.39 0.000 1.000 0.402 0.624     242.136     300.000       7.826   19 
-    920000      184000.00      27.789     -34.680      -6.890   2.62 0.357 0.583 0.277 0.930     252.118     300.000       7.056   19 
-    930000      186000.00      34.534     -17.189      17.345   3.48 0.214 0.750 0.280 0.573     313.312     300.000       7.281   19 
-    940000      188000.00      27.954     -22.362       5.592   6.82 0.214 0.800 0.245 0.356     253.612     300.000       7.458   19 
-    950000      190000.00      35.040     -22.341      12.699   2.76 0.286 0.714 0.341 0.486     317.902     300.000       6.831   19 
-    960000      192000.00      29.390     -32.956      -3.566   3.43 0.214 0.842 0.342 0.221     266.644     300.000       6.275   19 
-    970000      194000.00      35.574     -22.776      12.798   3.38 0.214 0.667 0.182 0.823     322.750     300.000       7.874   19 
-    980000      196000.00      30.875     -18.900      11.975   4.41 0.286 0.600 0.200 0.394     280.113     300.000       6.899   19 
-    990000      198000.00      25.695      -7.401      18.294   3.66 0.214 0.700 0.273 0.782     233.119     300.000       7.159   19 
-   1000000      200000.00      32.229     -17.421      14.808   3.17 0.143 0.600 0.227 0.823     292.401     300.000       7.504   19 
+         0           0.00      41.827     113.732     155.558  12.87 0.000   NaN   NaN 4.850     379.473     340.000      15.552   19 
+     10000        2000.00      29.715      -4.816      24.899   4.93 0.143 0.800 0.414 0.174     269.593     340.000       7.592   19 
+     20000        4000.00      38.318      -4.711      33.607   4.93 0.143 0.818 0.322 0.328     347.643     340.000       7.230   19 
+     30000        6000.00      35.209      -9.233      25.976   4.82 0.214 0.727 0.479 0.942     319.436     340.000       7.384   19 
+     40000        8000.00      31.144      -4.481      26.663   4.16 0.214 0.625 0.170 0.418     282.556     340.000       8.643   19 
+     50000       10000.00      45.175      -5.665      39.510   5.14 0.000 1.000 0.227 0.588     409.855     340.000       9.137   19 
+     60000       12000.00      33.390      -5.505      27.884   6.88 0.000 1.000 0.292 0.239     302.928     340.000       8.399   19 
+     70000       14000.00      27.449       7.523      34.971   5.04 0.000 1.000 0.318 0.764     249.028     340.000       8.479   19 
+     80000       16000.00      31.840       6.232      38.072   5.17 0.071 0.833 0.356 0.549     288.868     340.000       7.624   19 
+     90000       18000.00      42.306     -12.003      30.303   3.65 0.214 0.750 0.295 0.883     383.818     340.000       6.991   19 
+    100000       20000.00      34.296      -0.454      33.842   5.17 0.214 0.625 0.188 0.365     311.155     340.000       8.507   19 
+    110000       22000.00      39.229      -4.932      34.298   3.76 0.143 0.500 0.148 0.546     355.908     340.000       7.860   19 
+    120000       24000.00      29.017       8.753      37.770   4.77 0.071 0.000 0.545 0.598     263.254     340.000       8.961   19 
+    130000       26000.00      34.345       1.640      35.985   6.60 0.071 0.750 0.261 0.576     311.599     340.000       8.513   19 
+    140000       28000.00      19.505      -0.579      18.925   7.12 0.000 1.000 0.236 0.322     176.955     340.000       9.079   19 
+    150000       30000.00      36.864       3.261      40.125   5.83 0.000 1.000 0.301 0.496     334.450     340.000       7.249   19 
+    160000       32000.00      32.171       1.034      33.206   6.40 0.071 0.800 0.318 0.402     291.876     340.000       9.431   19 
+    170000       34000.00      48.361       4.651      53.012   7.05 0.071 0.800 0.182 0.984     438.753     340.000      10.548   19 
+    180000       36000.00      46.172       1.731      47.903   8.20 0.143 0.750 0.170 0.769     418.897     340.000      10.481   19 
+    190000       38000.00      32.167       1.900      34.067   3.52 0.071 0.833 0.348 0.301     291.834     340.000       7.579   19 
+    200000       40000.00      39.279      11.977      51.256   5.17 0.071 0.875 0.256 0.662     356.361     340.000       7.571   19 
+    210000       42000.00      26.448      -3.614      22.834   6.84 0.214 0.571 0.195 0.656     239.948     330.000       8.643   19 
+    220000       44000.00      30.588     -24.604       5.983   4.97 0.357 0.615 0.290 0.609     277.507     330.000       7.134   19 
+    230000       46000.00      30.156     -18.849      11.307   6.54 0.143 0.875 0.401 0.689     273.593     330.000       6.893   19 
+    240000       48000.00      31.904      -7.780      24.124   3.30 0.286 0.600 0.236 0.329     289.448     330.000       7.274   19 
+    250000       50000.00      35.516      -4.763      30.753   5.20 0.071 0.750 0.193 1.318     322.219     330.000       9.716   19 
+    260000       52000.00      46.443      -2.573      43.870   4.47 0.071 0.833 0.205 1.699     421.356     330.000       7.649   19 
+    270000       54000.00      33.711      -4.075      29.636   7.28 0.143 0.600 0.191 0.344     305.842     330.000       9.406   19 
+    280000       56000.00      39.097      -5.555      33.542   8.08 0.071 0.800 0.209 1.103     354.710     330.000       9.749   19 
+    290000       58000.00      42.080      -1.090      40.990   8.04 0.071 0.750 0.148 0.653     381.771     330.000      10.237   19 
+    300000       60000.00      41.581       3.688      45.269   6.74 0.000 1.000 0.318 0.324     377.246     330.000       8.646   19 
+    310000       62000.00      49.318       1.807      51.126   4.18 0.143 0.600 0.245 0.287     447.442     380.000       7.971   19 
+    320000       64000.00      36.385       9.602      45.988   6.22 0.143 0.500 0.227 1.464     330.107     380.000       9.157   19 
+    330000       66000.00      32.022      12.205      44.227   6.03 0.000 1.000 0.400 0.501     290.519     380.000       8.357   19 
+    340000       68000.00      35.921       7.265      43.186   5.79 0.071 0.750 0.295 0.960     325.890     380.000       8.782   19 
+    350000       70000.00      38.104       9.891      47.994   5.77 0.071 0.750 0.261 0.260     345.695     380.000       9.244   19 
+    360000       72000.00      40.176      -1.134      39.042   4.22 0.214 0.625 0.528 0.633     364.495     380.000       7.323   19 
+    370000       74000.00      41.105       4.533      45.637   4.02 0.071 0.909 0.438 0.458     372.923     380.000       7.904   19 
+    380000       76000.00      46.473       7.252      53.725   7.14 0.071 0.500 0.205 0.992     421.626     380.000       9.903   19 
+    390000       78000.00      38.981      12.524      51.504   5.10 0.143 0.500 0.330 0.159     353.652     380.000       7.737   19 
+    400000       80000.00      34.281      -1.125      33.156   7.30 0.286 0.429 0.273 0.621     311.018     380.000       7.994   19 
+    410000       82000.00      42.059       3.417      45.476   7.76 0.000   NaN   NaN 0.853     381.577     370.000      11.531   19 
+    420000       84000.00      43.069       0.754      43.823   5.04 0.071 0.889 0.338 0.508     390.746     370.000       7.691   19 
+    430000       86000.00      35.060      14.018      49.078   5.90 0.071 0.800 0.464 1.093     318.081     370.000       7.632   19 
+    440000       88000.00      33.425       6.958      40.382   5.45 0.143 0.333 0.182 0.390     303.246     370.000       8.529   19 
+    450000       90000.00      38.405      14.716      53.122   7.01 0.071 0.750 0.159 0.500     348.434     370.000      10.608   19 
+    460000       92000.00      40.378      10.568      50.946   8.86 0.000 1.000 0.227 0.443     366.327     370.000      12.235   19 
+    470000       94000.00      35.802       7.816      43.618   6.49 0.071 0.917 0.383 0.199     324.815     370.000       8.732   19 
+    480000       96000.00      38.903      10.367      49.271  10.03 0.000 1.000 0.182 0.369     352.952     370.000      13.037   19 
+    490000       98000.00      36.086       6.467      42.553   6.15 0.143 0.714 0.286 1.055     327.391     370.000       8.942   19 
+    500000      100000.00      37.326      -0.094      37.232   5.70 0.071 0.500 0.614 0.297     338.641     370.000       7.678   19 
+    510000      102000.00      34.113      -0.016      34.097   5.01 0.071 0.667 0.288 0.674     309.490     360.000       8.191   19 
+    520000      104000.00      46.314       1.384      47.698   4.63 0.143 0.667 0.439 0.268     420.185     360.000       7.505   19 
+    530000      106000.00      39.842       3.567      43.409   4.65 0.143 0.000 0.364 0.515     361.468     360.000       7.993   19 
+    540000      108000.00      35.823       2.104      37.926   4.94 0.000 1.000 0.279 0.443     325.005     360.000       7.377   19 
+    550000      110000.00      34.761       9.332      44.093   6.32 0.000 1.000 0.182 0.300     315.374     360.000       8.223   19 
+    560000      112000.00      30.841      -8.644      22.196   4.80 0.214 0.571 0.396 0.964     279.802     360.000       7.633   19 
+    570000      114000.00      40.522       3.830      44.352   6.28 0.071 0.750 0.409 0.355     367.632     360.000       8.068   19 
+    580000      116000.00      38.012      -1.075      36.937   6.68 0.000 1.000 0.295 1.037     344.865     360.000       8.263   19 
+    590000      118000.00      42.552      -3.520      39.033   6.87 0.071 0.800 0.282 0.441     386.058     360.000       8.769   19 
+    600000      120000.00      36.756       6.614      43.369   4.75 0.000 1.000 0.235 0.884     333.465     360.000       7.211   19 
+    610000      122000.00      37.633      15.835      53.467   8.41 0.143 0.000 0.205 0.507     341.425     360.000      12.033   19 
+    620000      124000.00      39.447       5.701      45.147   4.58 0.286 0.429 0.409 0.528     357.880     360.000       8.822   19 
+    630000      126000.00      32.229      -0.578      31.651   6.57 0.000 1.000 0.273 0.448     292.399     360.000       9.798   19 
+    640000      128000.00      30.484      11.793      42.277   7.17 0.000 1.000 0.182 0.436     276.566     360.000       9.673   19 
+    650000      130000.00      28.929       7.658      36.587   6.54 0.071 0.857 0.351 0.530     262.462     360.000       9.381   19 
+    660000      132000.00      31.548      -5.280      26.268   6.33 0.071 0.833 0.288 0.535     286.219     360.000       7.837   19 
+    670000      134000.00      39.110       1.306      40.415   7.30 0.071 0.750 0.148 0.225     354.823     360.000      11.505   19 
+    680000      136000.00      32.905       4.174      37.079   6.20 0.000 1.000 0.409 0.830     298.530     360.000       8.662   19 
+    690000      138000.00      37.532      13.599      51.131   8.04 0.071 0.000 0.136 0.444     340.508     360.000      10.931   19 
+    700000      140000.00      36.863       1.748      38.611   6.95 0.000 1.000 0.159 0.292     334.445     360.000       9.563   19 
+    710000      142000.00      36.832       4.250      41.082   6.47 0.143 0.500 0.148 0.536     334.159     360.000       9.585   19 
+    720000      144000.00      39.051      -9.200      29.851   4.69 0.143 0.818 0.289 0.677     354.295     360.000       7.515   19 
+    730000      146000.00      32.154       4.335      36.490   5.27 0.071 0.857 0.240 0.262     291.720     360.000       8.647   19 
+    740000      148000.00      36.045       7.118      43.164   7.59 0.071 0.000 0.136 0.640     327.023     360.000      11.413   19 
+    750000      150000.00      36.641       5.437      42.078   7.73 0.071 0.875 0.284 0.213     332.429     360.000       8.360   19 
+    760000      152000.00      31.583      13.817      45.401   7.17 0.000 1.000 0.205 0.454     286.540     360.000      10.598   19 
+    770000      154000.00      44.672       0.669      45.341   5.39 0.286 0.636 0.360 0.637     405.288     360.000       7.620   19 
+    780000      156000.00      41.782       6.572      48.354  10.36 0.000   NaN   NaN 0.304     379.070     360.000      14.460   19 
+    790000      158000.00      37.391      10.162      47.553   7.52 0.071 0.500 0.273 0.642     339.226     360.000       8.757   19 
+    800000      160000.00      27.589       9.096      36.685   9.14 0.071 0.667 0.136 0.384     250.299     360.000      12.134   19 
+    810000      162000.00      31.944      -5.142      26.802   4.55 0.000 1.000 0.344 0.199     289.810     350.000       7.578   19 
+    820000      164000.00      37.736      10.690      48.426   7.18 0.143 0.714 0.182 0.598     342.360     350.000       9.941   19 
+    830000      166000.00      31.280      18.609      49.888   9.35 0.000   NaN   NaN 0.672     283.785     350.000      13.607   19 
+    840000      168000.00      34.065       4.688      38.753   5.60 0.071 0.875 0.307 0.458     309.057     350.000       8.175   19 
+    850000      170000.00      38.710       0.100      38.811   3.81 0.071 0.667 0.197 0.751     351.198     350.000       7.932   19 
+    860000      172000.00      31.318      -2.627      28.691   4.80 0.071 0.900 0.345 0.705     284.132     350.000       7.502   19 
+    870000      174000.00      39.904       5.955      45.859   5.04 0.143 0.750 0.330 0.550     362.026     350.000       7.847   19 
+    880000      176000.00      46.933      -7.945      38.988   3.35 0.357 0.615 0.283 0.783     425.799     350.000       7.015   19 
+    890000      178000.00      36.710      -9.290      27.420   6.22 0.071 0.875 0.278 0.569     333.055     350.000       8.501   19 
+    900000      180000.00      35.668       0.540      36.208   6.48 0.000 1.000 0.264 0.682     323.598     350.000       9.731   19 
+    910000      182000.00      28.552       8.110      36.662   6.77 0.000 1.000 0.152 0.706     259.036     340.000       9.557   19 
+    920000      184000.00      35.549       0.001      35.550   7.31 0.143 0.600 0.145 0.521     322.516     340.000       8.999   19 
+    930000      186000.00      34.926     -13.105      21.822   2.92 0.286 0.600 0.177 0.644     316.868     340.000       7.684   19 
+    940000      188000.00      34.816       7.906      42.722   5.11 0.071 0.875 0.523 0.213     315.869     340.000       6.865   19 
+    950000      190000.00      37.477     -13.612      23.866   4.87 0.214 0.625 0.318 0.369     340.014     340.000       7.465   19 
+    960000      192000.00      33.298      -0.458      32.840   7.44 0.143 0.500 0.205 0.591     302.094     340.000       8.947   19 
+    970000      194000.00      36.265       0.215      36.480   5.10 0.214 0.700 0.295 0.576     329.015     340.000       7.251   19 
+    980000      196000.00      34.403      -3.510      30.892   5.84 0.071 0.800 0.255 0.774     312.118     340.000       8.137   19 
+    990000      198000.00      36.564       3.686      40.250   4.02 0.000 1.000 0.352 0.604     331.724     340.000       8.287   19 
+   1000000      200000.00      35.291       5.896      41.188   8.22 0.143 0.714 0.234 0.958     320.182     340.000      10.725   19 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat
index 930080c..cdea226 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat
@@ -1,101 +1,101 @@
-         0           0.00      25.628     115.074     140.702  12.87 0.000   NaN   NaN 4.850     232.511     300.000      15.552   20 
-     10000        2000.00      26.963     -21.258       5.705   3.78 0.286 0.636 0.264 0.216     244.624     300.000       7.122   20 
-     20000        4000.00      29.332     -18.177      11.155   7.20 0.214 0.625 0.199 0.239     266.117     300.000       8.827   20 
-     30000        6000.00      33.530     -31.231       2.299   2.82 0.286 0.714 0.273 0.313     304.204     300.000       6.982   20 
-     40000        8000.00      29.894     -21.846       8.048   3.38 0.429 0.400 0.268 0.384     271.216     300.000       6.956   20 
-     50000       10000.00      34.025     -14.177      19.848   4.29 0.286 0.500 0.165 0.304     308.693     300.000       8.321   20 
-     60000       12000.00      29.088      -9.863      19.225   5.04 0.357 0.688 0.364 0.798     263.905     300.000       7.107   20 
-     70000       14000.00      28.514     -19.519       8.995   6.10 0.143 0.818 0.227 0.484     258.692     300.000       7.797   20 
-     80000       16000.00      28.331     -25.722       2.608   4.38 0.214 0.769 0.325 0.544     257.029     300.000       7.145   20 
-     90000       18000.00      29.857     -19.559      10.298   6.21 0.286 0.636 0.190 0.687     270.880     300.000       8.564   20 
-    100000       20000.00      33.893     -19.628      14.265   4.35 0.214 0.769 0.322 0.248     307.495     300.000       7.562   20 
-    110000       22000.00      20.620     -13.536       7.084   4.48 0.286 0.667 0.311 0.724     187.073     300.000       7.041   20 
-    120000       24000.00      28.489     -13.638      14.851   4.89 0.286 0.200 0.164 0.230     258.467     300.000       8.572   20 
-    130000       26000.00      29.843     -24.963       4.880   2.84 0.357 0.500 0.186 0.389     270.753     300.000       7.254   20 
-    140000       28000.00      33.854     -32.098       1.756   2.08 0.429 0.333 0.207 0.176     307.140     300.000       6.918   20 
-    150000       30000.00      26.064     -16.739       9.325   6.46 0.286 0.333 0.152 0.703     236.463     300.000       9.588   20 
-    160000       32000.00      33.993     -30.955       3.038   3.46 0.429 0.538 0.217 0.274     308.401     300.000       7.123   20 
-    170000       34000.00      37.840     -19.274      18.566   7.25 0.286 0.600 0.150 0.369     343.305     300.000       9.712   20 
-    180000       36000.00      26.605     -28.175      -1.570   2.61 0.286 0.636 0.318 0.263     241.370     300.000       6.883   20 
-    190000       38000.00      23.013     -28.816      -5.804   3.09 0.214 0.727 0.227 0.322     208.781     300.000       6.840   20 
-    200000       40000.00      34.726     -26.197       8.529   3.17 0.071 0.909 0.285 0.353     315.052     300.000       6.783   20 
-    210000       42000.00      38.226     -23.787      14.440   4.75 0.214 0.667 0.172 0.670     346.810     300.000       8.331   20 
-    220000       44000.00      38.597     -22.927      15.670   5.06 0.214 0.667 0.172 0.489     350.175     300.000       7.523   20 
-    230000       46000.00      25.830     -17.621       8.210   6.42 0.214 0.667 0.172 0.209     234.346     300.000       8.854   20 
-    240000       48000.00      36.336     -21.224      15.112   2.86 0.071 0.875 0.273 0.649     329.658     300.000       7.370   20 
-    250000       50000.00      32.607     -35.461      -2.854   3.02 0.214 0.769 0.276 0.295     295.828     300.000       7.046   20 
-    260000       52000.00      28.614     -19.600       9.014   4.55 0.071 0.857 0.234 0.872     259.601     300.000       8.043   20 
-    270000       54000.00      45.467     -20.377      25.090   3.26 0.143 0.857 0.393 0.622     412.502     300.000       7.103   20 
-    280000       56000.00      23.234     -36.548     -13.314   2.62 0.143 0.846 0.339 0.955     210.794     300.000       6.640   20 
-    290000       58000.00      29.075     -19.344       9.731   3.30 0.143 0.800 0.345 0.383     263.785     300.000       6.733   20 
-    300000       60000.00      38.931      -9.335      29.596   4.85 0.071 0.875 0.386 0.844     353.205     300.000       7.632   20 
-    310000       62000.00      39.490       0.318      39.808   8.83 0.071 0.500 0.205 0.507     358.276     360.000      11.568   20 
-    320000       64000.00      30.584       6.108      36.692   6.53 0.143 0.667 0.356 0.681     277.472     360.000       7.444   20 
-    330000       66000.00      41.894      -0.361      41.533   5.82 0.214 0.250 0.182 0.777     380.087     360.000       9.157   20 
-    340000       68000.00      28.763      10.098      38.861   7.48 0.071 0.500 0.136 0.168     260.952     360.000      10.158   20 
-    350000       70000.00      39.252      27.378      66.630   7.03 0.071 0.750 0.148 0.935     356.117     360.000      11.627   20 
-    360000       72000.00      35.600       4.872      40.471   5.31 0.214 0.500 0.311 0.381     322.981     360.000       7.720   20 
-    370000       74000.00      51.721      11.454      63.175   4.18 0.071 0.857 0.273 1.245     469.241     360.000       7.213   20 
-    380000       76000.00      32.378       2.486      34.864   5.02 0.143 0.714 0.318 0.305     293.753     360.000       7.608   20 
-    390000       78000.00      34.306       2.342      36.648   6.92 0.000 1.000 0.242 0.251     311.241     360.000       9.456   20 
-    400000       80000.00      40.832       5.740      46.572   7.29 0.143 0.000 0.159 0.700     370.445     360.000      10.295   20 
-    410000       82000.00      38.971      11.915      50.886  11.27 0.000   NaN   NaN 0.752     353.564     390.000      14.554   20 
-    420000       84000.00      44.162      10.593      54.755   4.90 0.071 0.889 0.268 0.981     400.663     390.000       7.953   20 
-    430000       86000.00      47.297       9.233      56.529   5.22 0.000 1.000 0.250 0.747     429.098     390.000       9.418   20 
-    440000       88000.00      40.261      15.086      55.346   7.22 0.143 0.333 0.152 0.627     365.266     390.000      11.062   20 
-    450000       90000.00      48.694      12.711      61.405   6.36 0.071 0.750 0.227 0.584     441.773     390.000       9.361   20 
-    460000       92000.00      52.141       3.914      56.055   4.25 0.000 1.000 0.218 0.857     473.048     390.000       7.987   20 
-    470000       94000.00      32.726      16.030      48.757   6.12 0.000 1.000 0.398 0.702     296.910     390.000       8.454   20 
-    480000       96000.00      39.333      -1.683      37.650   7.73 0.071 0.750 0.193 0.171     356.849     390.000       9.095   20 
-    490000       98000.00      36.933       0.772      37.705   5.76 0.071 0.857 0.266 0.795     335.073     390.000       7.935   20 
-    500000      100000.00      45.468       1.484      46.952   7.70 0.071 0.750 0.205 0.428     412.511     390.000       9.628   20 
-    510000      102000.00      39.804       6.281      46.086   5.64 0.214 0.500 0.152 0.291     361.127     390.000       9.429   20 
-    520000      104000.00      35.369      15.281      50.650   4.82 0.071 0.857 0.266 0.462     320.890     390.000       8.128   20 
-    530000      106000.00      37.343      14.045      51.388   8.48 0.071 0.500 0.205 0.611     338.795     390.000      12.003   20 
-    540000      108000.00      41.265       7.079      48.344   6.07 0.071 0.800 0.227 0.481     374.376     390.000      10.146   20 
-    550000      110000.00      35.780       8.652      44.432  11.31 0.000   NaN   NaN 0.385     324.615     390.000      14.977   20 
-    560000      112000.00      37.423       8.992      46.416   6.78 0.071 0.833 0.197 0.643     339.523     390.000       8.660   20 
-    570000      114000.00      26.250      11.769      38.020   5.74 0.000 1.000 0.307 0.771     238.155     390.000       8.511   20 
-    580000      116000.00      39.996      16.695      56.691   5.47 0.071 0.833 0.265 0.634     362.865     390.000       8.623   20 
-    590000      118000.00      30.815       5.083      35.898   4.82 0.071 0.667 0.167 0.490     279.569     390.000       7.580   20 
-    600000      120000.00      33.578      14.174      47.753   4.64 0.000   NaN   NaN 0.445     304.641     390.000       9.978   20 
-    610000      122000.00      42.887      17.232      60.119   7.54 0.000 1.000 0.200 1.423     389.094     390.000      10.656   20 
-    620000      124000.00      39.598       7.549      47.146  10.74 0.071 0.000 0.136 0.478     359.251     390.000      14.918   20 
-    630000      126000.00      35.476       9.964      45.440   6.49 0.071 0.500 0.182 0.313     321.859     390.000      10.129   20 
-    640000      128000.00      33.710      15.390      49.100   6.15 0.000 1.000 0.364 0.482     305.834     390.000       9.417   20 
-    650000      130000.00      46.207       7.808      54.014   7.08 0.000 1.000 0.159 0.724     419.211     390.000      10.549   20 
-    660000      132000.00      36.051       3.928      39.980   6.02 0.071 0.750 0.318 1.298     327.077     390.000       7.737   20 
-    670000      134000.00      46.474       8.357      54.831   4.89 0.143 0.000 0.341 0.388     421.635     390.000       7.713   20 
-    680000      136000.00      37.214       2.236      39.450   7.00 0.071 0.900 0.250 0.882     337.628     390.000       7.330   20 
-    690000      138000.00      41.910       5.822      47.732   6.38 0.143 0.333 0.182 0.510     380.232     390.000       8.909   20 
-    700000      140000.00      35.694      14.041      49.735   5.35 0.000 1.000 0.273 0.670     323.837     390.000       8.553   20 
-    710000      142000.00      29.068      15.644      44.712   4.67 0.000 1.000 0.227 0.311     263.720     390.000       8.109   20 
-    720000      144000.00      34.952      18.819      53.772   4.53 0.071 0.750 0.250 0.183     317.107     390.000       9.162   20 
-    730000      146000.00      43.063      16.549      59.612   7.60 0.000 1.000 0.159 0.837     390.691     390.000      11.007   20 
-    740000      148000.00      40.127      19.225      59.352   5.90 0.000 1.000 0.182 0.911     364.048     390.000       8.429   20 
-    750000      150000.00      34.095       5.111      39.206   6.61 0.143 0.750 0.193 0.534     309.328     390.000       8.916   20 
-    760000      152000.00      32.496       6.236      38.732   6.09 0.071 0.000 0.136 0.532     294.819     390.000       9.816   20 
-    770000      154000.00      29.439      15.483      44.922   5.72 0.000 1.000 0.375 0.884     267.082     390.000      10.049   20 
-    780000      156000.00      32.006       5.567      37.572   3.96 0.071 0.833 0.492 0.698     290.371     390.000       8.157   20 
-    790000      158000.00      38.164       4.267      42.431   5.31 0.000 1.000 0.227 0.911     346.244     390.000       8.359   20 
-    800000      160000.00      34.898       5.294      40.191   5.67 0.071 0.750 0.273 1.128     316.609     390.000       8.387   20 
-    810000      162000.00      31.309      11.223      42.532   5.97 0.000 1.000 0.136 0.364     284.054     370.000      10.741   20 
-    820000      164000.00      42.545      23.429      65.974   9.02 0.071 0.500 0.182 0.521     385.987     370.000      11.821   20 
-    830000      166000.00      28.918       5.286      34.205   4.81 0.143 0.500 0.205 0.211     262.362     370.000       9.187   20 
-    840000      168000.00      37.480       6.493      43.973   4.22 0.286 0.556 0.263 1.061     340.034     370.000       7.868   20 
-    850000      170000.00      33.292       5.753      39.045   9.27 0.071 0.500 0.159 0.705     302.044     370.000      11.929   20 
-    860000      172000.00      36.483      10.873      47.356   6.61 0.071 0.833 0.220 0.661     330.995     370.000       8.064   20 
-    870000      174000.00      36.439      11.762      48.202   9.55 0.071 0.500 0.136 0.239     330.597     370.000      11.635   20 
-    880000      176000.00      43.862      14.859      58.721   7.43 0.143 0.600 0.173 0.268     397.937     370.000       9.978   20 
-    890000      178000.00      28.281      16.631      44.913   5.16 0.000 1.000 0.621 0.885     256.582     370.000       8.821   20 
-    900000      180000.00      38.114      21.044      59.158   8.46 0.071 0.667 0.288 0.483     345.793     370.000      11.070   20 
-    910000      182000.00      35.108      -4.331      30.777   6.52 0.071 0.909 0.384 0.796     318.521     360.000       6.982   20 
-    920000      184000.00      44.450      10.447      54.897   6.48 0.071 0.500 0.136 0.833     403.278     360.000       8.643   20 
-    930000      186000.00      43.460       0.549      44.009   4.79 0.000 1.000 0.209 0.692     394.291     360.000       8.320   20 
-    940000      188000.00      38.548       2.669      41.217   6.38 0.071 0.833 0.258 0.979     349.724     360.000       8.935   20 
-    950000      190000.00      30.804      12.965      43.769   6.95 0.071 0.750 0.205 0.428     279.467     360.000       9.233   20 
-    960000      192000.00      40.091       3.641      43.732   5.56 0.000 1.000 0.182 0.299     363.730     360.000       8.400   20 
-    970000      194000.00      37.734      27.122      64.856   6.43 0.000 1.000 0.205 0.648     342.340     360.000       9.132   20 
-    980000      196000.00      35.355       6.139      41.495   5.23 0.000 1.000 0.465 0.350     320.762     360.000       7.406   20 
-    990000      198000.00      35.064      13.240      48.304   7.09 0.071 0.833 0.205 0.990     318.120     360.000       9.526   20 
-   1000000      200000.00      40.068       7.760      47.827   5.85 0.000   NaN   NaN 0.167     363.516     360.000       9.306   20 
+         0           0.00      29.899     113.442     143.341  12.87 0.000   NaN   NaN 4.850     271.263     350.000      15.552   20 
+     10000        2000.00      32.773      10.092      42.865   7.98 0.000 1.000 0.205 0.236     297.333     350.000      10.798   20 
+     20000        4000.00      35.597      -1.939      33.658   6.99 0.143 0.333 0.197 0.821     322.955     350.000      11.022   20 
+     30000        6000.00      38.551      -6.495      32.056   4.07 0.143 0.714 0.266 0.209     349.750     350.000       7.204   20 
+     40000        8000.00      37.002       5.761      42.763   5.56 0.143 0.750 0.330 0.631     335.702     350.000       7.855   20 
+     50000       10000.00      38.954       0.402      39.356   4.44 0.071 0.857 0.253 0.947     353.408     350.000       7.517   20 
+     60000       12000.00      32.921      -5.305      27.615   7.45 0.214 0.571 0.208 0.694     298.673     350.000       8.315   20 
+     70000       14000.00      29.004      -2.152      26.852   3.91 0.143 0.818 0.310 0.892     263.140     350.000       7.008   20 
+     80000       16000.00      29.722      16.400      46.122   8.72 0.071 0.500 0.136 0.323     269.651     350.000      12.163   20 
+     90000       18000.00      36.109      16.721      52.831   8.28 0.143 0.600 0.191 0.494     327.602     350.000      11.070   20 
+    100000       20000.00      37.445       0.926      38.371   7.23 0.143 0.667 0.212 0.435     339.721     350.000       9.429   20 
+    110000       22000.00      25.271      10.344      35.615   7.70 0.000 1.000 0.227 0.484     229.273     350.000      11.167   20 
+    120000       24000.00      32.166      -5.754      26.413   4.65 0.071 0.667 0.197 0.835     291.831     350.000       8.553   20 
+    130000       26000.00      33.360       2.216      35.576   5.49 0.143 0.714 0.253 0.375     302.659     350.000       8.235   20 
+    140000       28000.00      38.454      -5.074      33.380   6.03 0.071 0.800 0.400 0.791     348.874     350.000       8.076   20 
+    150000       30000.00      30.275      17.743      48.018   5.61 0.000 1.000 0.159 0.252     274.672     350.000       8.281   20 
+    160000       32000.00      36.578       8.058      44.636   7.70 0.000 1.000 0.136 1.091     331.854     350.000      12.085   20 
+    170000       34000.00      43.344       3.843      47.188   7.03 0.000 1.000 0.239 0.810     393.242     350.000      10.565   20 
+    180000       36000.00      34.554       4.825      39.379   5.95 0.000 1.000 0.273 0.540     313.492     350.000       8.367   20 
+    190000       38000.00      24.120      15.071      39.191  11.45 0.071 0.500 0.136 0.435     218.830     350.000      14.739   20 
+    200000       40000.00      36.269      -6.479      29.789   4.28 0.071 0.889 0.354 1.824     329.048     350.000       8.200   20 
+    210000       42000.00      45.024       9.543      54.567   4.24 0.071 0.000 0.136 0.394     408.484     370.000       8.876   20 
+    220000       44000.00      49.037       4.831      53.868   5.63 0.000 1.000 0.455 0.732     444.885     370.000       7.427   20 
+    230000       46000.00      33.378       1.656      35.034   8.40 0.000 1.000 0.250 0.664     302.824     370.000      11.347   20 
+    240000       48000.00      45.805      11.223      57.028   7.21 0.000 1.000 0.159 0.588     415.570     370.000      10.542   20 
+    250000       50000.00      36.823       8.090      44.912   6.46 0.143 0.333 0.182 0.611     334.075     370.000      10.273   20 
+    260000       52000.00      33.765      -0.492      33.273   6.93 0.214 0.500 0.167 0.334     306.335     370.000       9.903   20 
+    270000       54000.00      53.518      11.455      64.972   7.43 0.143 0.500 0.182 0.647     485.539     370.000      11.444   20 
+    280000       56000.00      32.618      15.431      48.049   4.70 0.000 1.000 0.273 0.627     295.927     370.000       8.707   20 
+    290000       58000.00      36.929      10.425      47.353   5.25 0.143 0.600 0.264 0.298     335.038     370.000       8.641   20 
+    300000       60000.00      46.585      12.074      58.658   4.77 0.143 0.600 0.309 0.353     422.640     370.000       8.723   20 
+    310000       62000.00      38.273      17.764      56.036   8.15 0.071 0.500 0.136 0.405     347.228     350.000      12.665   20 
+    320000       64000.00      30.213      16.955      47.168   7.00 0.143 0.600 0.218 0.645     274.111     350.000       9.356   20 
+    330000       66000.00      34.998      -4.217      30.782   5.68 0.071 0.900 0.314 1.159     317.524     350.000       6.804   20 
+    340000       68000.00      28.133       0.941      29.075   4.51 0.143 0.714 0.208 0.425     255.239     350.000       8.073   20 
+    350000       70000.00      40.573       1.012      41.585   6.76 0.071 0.800 0.236 0.218     368.101     350.000       8.716   20 
+    360000       72000.00      34.810       8.030      42.840   7.06 0.000 1.000 0.218 0.326     315.816     350.000       9.834   20 
+    370000       74000.00      50.725      -0.372      50.353   3.26 0.071 0.857 0.292 0.401     460.203     350.000       7.051   20 
+    380000       76000.00      27.848       3.045      30.893   5.76 0.071 0.900 0.318 0.619     252.651     350.000       7.655   20 
+    390000       78000.00      36.347       5.001      41.348   4.50 0.143 0.667 0.189 0.363     329.761     350.000       7.885   20 
+    400000       80000.00      37.886       5.671      43.557   4.88 0.214 0.571 0.292 0.520     343.724     350.000       8.111   20 
+    410000       82000.00      33.294       9.000      42.294   7.54 0.143 0.667 0.182 0.737     302.059     350.000       9.447   20 
+    420000       84000.00      39.105       2.401      41.506   9.53 0.143 0.333 0.152 0.558     354.784     350.000      11.422   20 
+    430000       86000.00      40.705       0.005      40.710   6.54 0.071 0.750 0.261 0.522     369.297     350.000       9.417   20 
+    440000       88000.00      31.401      -0.766      30.634   4.50 0.143 0.500 0.205 0.612     284.884     350.000       7.792   20 
+    450000       90000.00      42.163       8.801      50.964   5.91 0.071 0.833 0.258 0.815     382.522     350.000       8.449   20 
+    460000       92000.00      49.526      -4.769      44.757   4.92 0.143 0.778 0.187 1.239     449.326     350.000       8.884   20 
+    470000       94000.00      28.887      -1.587      27.299   5.48 0.071 0.833 0.288 0.632     262.076     350.000       7.286   20 
+    480000       96000.00      36.119      -0.081      36.038   5.19 0.214 0.700 0.427 0.325     327.693     350.000       7.511   20 
+    490000       98000.00      34.252       1.676      35.928   6.90 0.000 1.000 0.201 1.003     310.752     350.000       9.027   20 
+    500000      100000.00      37.980      -0.814      37.166   6.55 0.071 0.667 0.136 0.255     344.577     350.000       9.179   20 
+    510000      102000.00      31.243      12.399      43.641   4.84 0.143 0.714 0.325 0.885     283.450     340.000       8.402   20 
+    520000      104000.00      30.410      -8.555      21.854   7.32 0.214 0.667 0.237 0.166     275.891     340.000       7.848   20 
+    530000      106000.00      34.234      10.281      44.515   4.64 0.000 1.000 0.197 0.577     310.592     340.000       7.324   20 
+    540000      108000.00      37.191       2.345      39.537   6.24 0.071 0.900 0.355 0.289     337.418     340.000       7.381   20 
+    550000      110000.00      29.273      -1.466      27.807   6.51 0.000 1.000 0.214 0.588     265.579     340.000       8.328   20 
+    560000      112000.00      32.522      11.805      44.326   6.42 0.071 0.500 0.136 1.275     295.054     340.000      10.645   20 
+    570000      114000.00      25.004       9.939      34.943   7.41 0.000 1.000 0.236 0.343     226.850     340.000       8.689   20 
+    580000      116000.00      38.091      -1.245      36.846   4.18 0.071 0.900 0.427 0.464     345.584     340.000       7.524   20 
+    590000      118000.00      28.585       2.285      30.870   5.24 0.071 0.800 0.173 0.428     259.333     340.000       8.787   20 
+    600000      120000.00      27.014      -4.378      22.636   6.01 0.071 0.833 0.326 0.722     245.089     340.000       7.028   20 
+    610000      122000.00      39.594      -1.116      38.478   5.83 0.071 0.800 0.309 1.011     359.221     340.000       9.098   20 
+    620000      124000.00      35.309       1.607      36.916   4.40 0.143 0.600 0.409 0.278     320.339     340.000       7.264   20 
+    630000      126000.00      28.879       6.698      35.577   4.81 0.143 0.846 0.224 0.254     262.007     340.000       7.308   20 
+    640000      128000.00      28.708       7.390      36.097   4.22 0.143 0.857 0.328 0.700     260.450     340.000       6.956   20 
+    650000      130000.00      37.189       3.178      40.367   5.73 0.143 0.000 0.136 0.731     337.401     340.000      10.259   20 
+    660000      132000.00      29.492      -1.663      27.829   6.95 0.071 0.833 0.182 0.697     267.563     340.000       8.802   20 
+    670000      134000.00      40.783       5.517      46.301   9.21 0.000 1.000 0.227 1.365     370.007     340.000      12.904   20 
+    680000      136000.00      35.224      -4.674      30.550   4.93 0.071 0.800 0.291 0.385     319.572     340.000       6.849   20 
+    690000      138000.00      37.150      -8.210      28.940   5.64 0.143 0.750 0.227 1.025     337.044     340.000       7.402   20 
+    700000      140000.00      33.273     -13.696      19.577   6.09 0.071 0.909 0.351 0.705     301.872     340.000       7.993   20 
+    710000      142000.00      26.460     -14.053      12.407   2.82 0.357 0.500 0.209 0.260     240.059     320.000       7.421   20 
+    720000      144000.00      26.272     -13.016      13.256   4.47 0.214 0.500 0.182 0.588     238.357     320.000       8.839   20 
+    730000      146000.00      39.706      -4.863      34.842   4.63 0.143 0.714 0.312 0.339     360.230     320.000       7.222   20 
+    740000      148000.00      31.940      -7.477      24.463   3.54 0.286 0.733 0.342 0.877     289.780     320.000       7.227   20 
+    750000      150000.00      26.602     -15.594      11.008   3.68 0.429 0.333 0.187 0.493     241.347     320.000       7.538   20 
+    760000      152000.00      26.780      -6.036      20.744   3.94 0.143 0.750 0.330 0.770     242.961     320.000       7.627   20 
+    770000      154000.00      24.055       0.840      24.894   8.10 0.071 0.857 0.214 0.671     218.237     320.000       9.985   20 
+    780000      156000.00      24.757     -11.268      13.490   4.17 0.357 0.375 0.250 0.414     224.613     320.000       7.237   20 
+    790000      158000.00      33.306     -11.246      22.060   5.38 0.143 0.800 0.268 0.798     302.170     320.000       7.437   20 
+    800000      160000.00      33.978     -16.881      17.097   3.28 0.429 0.538 0.325 0.850     308.267     320.000       7.025   20 
+    810000      162000.00      29.884     -10.915      18.968   2.61 0.286 0.500 0.244 0.411     271.119     320.000       7.316   20 
+    820000      164000.00      39.564     -17.899      21.665   4.07 0.214 0.571 0.169 0.765     358.946     320.000       7.821   20 
+    830000      166000.00      25.965     -14.136      11.829   3.25 0.214 0.769 0.290 0.122     235.571     320.000       7.050   20 
+    840000      168000.00      32.718     -10.541      22.177   2.96 0.357 0.545 0.310 0.208     296.836     320.000       7.252   20 
+    850000      170000.00      30.319     -14.625      15.694   6.53 0.214 0.727 0.211 0.815     275.070     320.000       7.796   20 
+    860000      172000.00      32.705      -9.609      23.096   5.79 0.000 1.000 0.356 0.702     296.715     320.000       7.927   20 
+    870000      174000.00      31.190     -10.185      21.006   4.96 0.071 0.857 0.338 0.395     282.974     320.000       7.662   20 
+    880000      176000.00      36.373     -25.042      11.331   3.40 0.286 0.778 0.321 0.304     329.994     320.000       6.730   20 
+    890000      178000.00      28.730     -28.257       0.472   2.97 0.214 0.700 0.168 1.193     260.650     320.000       7.476   20 
+    900000      180000.00      31.558     -19.545      12.013   4.94 0.214 0.571 0.156 0.566     286.311     320.000       8.893   20 
+    910000      182000.00      28.790     -19.355       9.435   4.52 0.286 0.333 0.167 0.563     261.197     300.000       8.971   20 
+    920000      184000.00      38.354     -20.773      17.581   3.18 0.286 0.733 0.255 0.876     347.971     300.000       6.875   20 
+    930000      186000.00      35.074     -21.407      13.667   4.84 0.214 0.750 0.197 0.545     318.213     300.000       8.159   20 
+    940000      188000.00      33.117     -34.360      -1.243   2.95 0.286 0.733 0.321 0.788     300.453     300.000       6.502   20 
+    950000      190000.00      24.667     -19.233       5.433   3.27 0.214 0.667 0.227 0.706     223.789     300.000       7.442   20 
+    960000      192000.00      32.764     -26.925       5.839   2.50 0.429 0.455 0.252 0.456     297.255     300.000       6.878   20 
+    970000      194000.00      32.851     -30.361       2.490   2.95 0.429 0.333 0.177 0.533     298.040     300.000       7.522   20 
+    980000      196000.00      27.941     -26.887       1.054   2.96 0.286 0.692 0.248 0.708     253.492     300.000       7.088   20 
+    990000      198000.00      29.587     -26.301       3.286   3.45 0.286 0.600 0.277 0.640     268.427     300.000       6.904   20 
+   1000000      200000.00      32.539     -24.567       7.973   3.17 0.214 0.667 0.283 0.666     295.214     300.000       7.378   20 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB021.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB021.stat
index ed4a9bd..6665127 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB021.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB021.stat
@@ -1,101 +1,101 @@
-         0           0.00      31.945     115.074     147.019  12.87 0.000   NaN   NaN 4.850     289.824     300.000      15.552   21 
-     10000        2000.00      33.276     -23.409       9.867   4.45 0.286 0.600 0.323 0.442     301.899     300.000       7.035   21 
-     20000        4000.00      28.214     -20.240       7.974   3.84 0.286 0.636 0.281 0.913     255.972     300.000       7.713   21 
-     30000        6000.00      27.999     -26.784       1.215   2.82 0.357 0.583 0.341 0.744     254.023     300.000       6.831   21 
-     40000        8000.00      25.718     -12.178      13.540   3.28 0.357 0.500 0.182 1.069     233.328     300.000       7.304   21 
-     50000       10000.00      29.505     -25.860       3.645   2.76 0.357 0.375 0.176 0.485     267.687     300.000       6.986   21 
-     60000       12000.00      31.267     -29.879       1.388   3.04 0.286 0.714 0.227 0.459     283.668     300.000       7.239   21 
-     70000       14000.00      32.694     -22.324      10.370   3.31 0.286 0.714 0.237 0.639     296.619     300.000       6.719   21 
-     80000       16000.00      23.767     -24.025      -0.258   3.87 0.286 0.636 0.211 0.142     215.629     300.000       7.061   21 
-     90000       18000.00      32.686     -25.841       6.845   3.11 0.214 0.700 0.295 0.705     296.546     300.000       6.545   21 
-    100000       20000.00      31.952     -26.954       4.998   5.96 0.143 0.875 0.276 0.224     289.884     300.000       6.710   21 
-    110000       22000.00      25.479     -33.239      -7.760   5.71 0.214 0.812 0.321 0.665     231.159     290.000       6.887   21 
-    120000       24000.00      30.438     -24.727       5.711   5.29 0.143 0.833 0.235 0.288     276.149     290.000       6.914   21 
-    130000       26000.00      30.430     -40.609     -10.179   2.71 0.214 0.786 0.357 0.318     276.079     290.000       6.722   21 
-    140000       28000.00      36.301     -34.311       1.990   3.04 0.286 0.778 0.323 0.427     329.344     290.000       7.165   21 
-    150000       30000.00      32.966     -33.516      -0.550   2.34 0.286 0.600 0.177 0.618     299.083     290.000       6.745   21 
-    160000       32000.00      36.778     -32.521       4.256   2.54 0.357 0.688 0.224 0.923     333.666     290.000       6.728   21 
-    170000       34000.00      35.385     -26.120       9.266   2.58 0.286 0.714 0.354 0.525     321.033     290.000       6.508   21 
-    180000       36000.00      26.375     -30.073      -3.698   2.72 0.357 0.643 0.250 0.434     239.283     290.000       6.798   21 
-    190000       38000.00      25.117     -32.014      -6.897   4.65 0.143 0.818 0.331 0.322     227.878     290.000       6.663   21 
-    200000       40000.00      24.692     -33.377      -8.684   2.78 0.214 0.727 0.302 0.279     224.021     290.000       6.901   21 
-    210000       42000.00      28.122     -30.155      -2.033   2.50 0.357 0.500 0.264 0.387     255.135     280.000       6.671   21 
-    220000       44000.00      21.929     -33.230     -11.301   2.98 0.214 0.786 0.364 0.488     198.948     280.000       6.890   21 
-    230000       46000.00      28.394     -28.017       0.376   2.67 0.214 0.667 0.318 0.520     257.604     280.000       6.945   21 
-    240000       48000.00      36.591     -35.386       1.205   5.02 0.286 0.667 0.208 0.292     331.976     280.000       7.008   21 
-    250000       50000.00      35.856     -33.868       1.989   4.30 0.143 0.895 0.337 0.334     325.307     280.000       6.521   21 
-    260000       52000.00      32.604     -30.700       1.904   2.77 0.357 0.643 0.253 0.498     295.798     280.000       6.763   21 
-    270000       54000.00      31.495     -37.307      -5.812   3.08 0.357 0.583 0.235 0.331     285.743     280.000       6.525   21 
-    280000       56000.00      28.128     -30.549      -2.421   4.07 0.143 0.667 0.189 0.414     255.193     280.000       7.755   21 
-    290000       58000.00      26.299     -39.344     -13.045   3.32 0.429 0.600 0.379 0.193     238.598     280.000       6.460   21 
-    300000       60000.00      25.549     -41.065     -15.516   3.12 0.357 0.615 0.304 1.067     231.793     280.000       6.810   21 
-    310000       62000.00      27.853     -39.702     -11.849   2.84 0.214 0.667 0.318 0.525     252.692     270.000       6.655   21 
-    320000       64000.00      35.945     -41.805      -5.860   3.02 0.357 0.615 0.315 0.974     326.111     270.000       6.861   21 
-    330000       66000.00      28.449     -31.012      -2.563   2.87 0.357 0.615 0.234 0.725     258.104     270.000       7.330   21 
-    340000       68000.00      27.326     -40.287     -12.962   2.78 0.286 0.765 0.273 0.445     247.914     270.000       6.693   21 
-    350000       70000.00      23.376     -42.139     -18.763   2.95 0.429 0.667 0.285 0.172     212.078     270.000       6.744   21 
-    360000       72000.00      21.962     -36.326     -14.364   2.56 0.286 0.667 0.470 0.765     199.247     270.000       6.796   21 
-    370000       74000.00      26.051     -35.773      -9.722   2.63 0.500 0.462 0.234 0.698     236.345     270.000       6.993   21 
-    380000       76000.00      31.058     -38.408      -7.350   3.26 0.214 0.750 0.348 0.805     281.773     270.000       6.845   21 
-    390000       78000.00      25.468     -44.205     -18.737   2.77 0.357 0.667 0.276 0.491     231.062     270.000       6.298   21 
-    400000       80000.00      31.309     -38.558      -7.249   2.71 0.357 0.643 0.299 0.321     284.051     270.000       6.631   21 
-    410000       82000.00      27.809     -49.909     -22.099   2.85 0.357 0.643 0.312 0.172     252.302     270.000       6.322   21 
-    420000       84000.00      33.639     -48.471     -14.832   3.00 0.357 0.667 0.345 0.374     305.190     270.000       6.581   21 
-    430000       86000.00      25.435     -43.723     -18.288   2.76 0.357 0.688 0.253 0.383     230.760     270.000       6.364   21 
-    440000       88000.00      29.156     -38.061      -8.905   2.49 0.286 0.636 0.174 0.309     264.515     270.000       6.876   21 
-    450000       90000.00      26.307     -50.029     -23.722   2.62 0.429 0.500 0.197 0.394     238.669     270.000       6.827   21 
-    460000       92000.00      26.697     -48.500     -21.803   2.95 0.429 0.500 0.235 0.514     242.211     270.000       6.420   21 
-    470000       94000.00      24.895     -42.460     -17.565   3.26 0.214 0.769 0.378 1.143     225.860     270.000       6.553   21 
-    480000       96000.00      34.973     -43.720      -8.748   2.62 0.357 0.643 0.227 0.180     317.289     270.000       6.823   21 
-    490000       98000.00      22.745     -37.785     -15.040   2.98 0.357 0.444 0.227 0.475     206.357     270.000       7.334   21 
-    500000      100000.00      22.687     -46.308     -23.622   2.89 0.214 0.833 0.343 0.384     205.824     270.000       6.344   21 
-    510000      102000.00      29.684     -40.636     -10.952   3.28 0.429 0.667 0.308 0.486     269.308     270.000       6.027   21 
-    520000      104000.00      30.787     -38.981      -8.194   2.78 0.357 0.545 0.244 0.362     279.316     270.000       6.892   21 
-    530000      106000.00      25.267     -34.037      -8.771   2.95 0.214 0.769 0.308 0.281     229.231     270.000       6.576   21 
-    540000      108000.00      26.298     -44.931     -18.633   2.86 0.429 0.667 0.366 0.475     238.587     270.000       6.444   21 
-    550000      110000.00      28.799     -45.029     -16.230   2.90 0.357 0.643 0.302 0.655     261.275     270.000       6.476   21 
-    560000      112000.00      29.118     -41.247     -12.129   2.54 0.429 0.455 0.174 0.391     264.176     270.000       7.147   21 
-    570000      114000.00      26.774     -51.498     -24.724   2.81 0.429 0.571 0.256 0.548     242.911     270.000       6.822   21 
-    580000      116000.00      24.696     -42.318     -17.622   3.08 0.214 0.824 0.353 0.216     224.057     270.000       6.455   21 
-    590000      118000.00      33.949     -39.773      -5.824   3.24 0.357 0.615 0.353 0.468     308.005     270.000       6.671   21 
-    600000      120000.00      19.907     -40.839     -20.932   3.13 0.429 0.647 0.342 0.607     180.608     270.000       6.246   21 
-    610000      122000.00      34.636     -31.419       3.217   2.57 0.429 0.500 0.254 0.761     314.234     290.000       6.752   21 
-    620000      124000.00      33.617     -32.540       1.077   6.51 0.143 0.667 0.167 0.515     304.987     290.000       9.335   21 
-    630000      126000.00      23.765     -29.000      -5.235   2.75 0.214 0.727 0.343 0.616     215.605     290.000       7.102   21 
-    640000      128000.00      35.160     -33.388       1.772   2.93 0.214 0.700 0.336 0.135     318.985     290.000       6.957   21 
-    650000      130000.00      34.455     -28.219       6.236   3.50 0.286 0.429 0.162 0.728     312.594     290.000       7.725   21 
-    660000      132000.00      25.147     -29.248      -4.101   3.38 0.286 0.714 0.289 1.037     228.149     290.000       6.637   21 
-    670000      134000.00      35.182     -27.348       7.834   3.43 0.429 0.625 0.273 0.418     319.189     290.000       6.739   21 
-    680000      136000.00      31.021     -39.469      -8.448   2.83 0.286 0.733 0.312 0.222     281.440     290.000       6.142   21 
-    690000      138000.00      23.489     -34.153     -10.664   2.45 0.357 0.643 0.201 0.955     213.106     290.000       6.998   21 
-    700000      140000.00      34.340     -29.333       5.007   3.91 0.286 0.692 0.203 1.282     311.548     290.000       7.197   21 
-    710000      142000.00      32.602     -31.484       1.117   2.73 0.357 0.583 0.307 0.768     295.781     290.000       6.862   21 
-    720000      144000.00      28.970     -30.716      -1.747   2.79 0.429 0.600 0.391 0.255     262.828     290.000       6.656   21 
-    730000      146000.00      33.269     -21.195      12.074   3.67 0.214 0.571 0.175 0.438     301.837     290.000       7.858   21 
-    740000      148000.00      29.810     -33.618      -3.808   2.53 0.500 0.500 0.305 0.559     270.452     290.000       6.986   21 
-    750000      150000.00      27.913     -29.876      -1.964   2.60 0.071 0.833 0.227 0.500     253.237     290.000       7.333   21 
-    760000      152000.00      35.188     -32.879       2.309   2.66 0.357 0.444 0.227 0.975     319.242     290.000       6.670   21 
-    770000      154000.00      27.405     -42.059     -14.654   2.70 0.357 0.643 0.292 0.202     248.633     290.000       6.834   21 
-    780000      156000.00      24.681     -25.123      -0.441   3.73 0.143 0.778 0.172 0.190     223.923     290.000       7.665   21 
-    790000      158000.00      26.254     -32.662      -6.408   3.12 0.429 0.400 0.168 0.667     238.187     290.000       6.906   21 
-    800000      160000.00      28.075     -33.020      -4.945   2.81 0.357 0.643 0.266 0.652     254.711     290.000       6.679   21 
-    810000      162000.00      26.741     -34.028      -7.287   2.90 0.286 0.556 0.177 0.514     242.612     280.000       6.991   21 
-    820000      164000.00      29.533     -37.460      -7.926   2.84 0.357 0.500 0.186 0.401     267.942     280.000       7.145   21 
-    830000      166000.00      34.543     -37.468      -2.925   2.84 0.286 0.667 0.239 0.679     313.395     280.000       7.005   21 
-    840000      168000.00      25.087     -38.560     -13.474   3.01 0.286 0.750 0.330 0.697     227.600     280.000       6.368   21 
-    850000      170000.00      28.013     -36.094      -8.082   2.73 0.500 0.588 0.326 0.541     254.146     280.000       6.343   21 
-    860000      172000.00      27.629     -23.846       3.784   3.92 0.357 0.643 0.237 0.556     250.668     280.000       7.554   21 
-    870000      174000.00      28.341     -37.219      -8.878   3.02 0.357 0.667 0.321 0.439     257.120     280.000       6.346   21 
-    880000      176000.00      31.720     -37.606      -5.886   2.80 0.357 0.667 0.358 0.721     287.781     280.000       6.580   21 
-    890000      178000.00      28.254     -39.558     -11.304   3.12 0.214 0.769 0.273 0.261     256.331     280.000       7.009   21 
-    900000      180000.00      26.358     -31.041      -4.683   2.84 0.429 0.500 0.246 0.244     239.133     280.000       7.193   21 
-    910000      182000.00      37.037     -10.203      26.835   7.01 0.143 0.714 0.156 0.233     336.021     310.000       8.877   21 
-    920000      184000.00      32.603     -17.596      15.007   4.15 0.214 0.727 0.277 0.503     295.792     310.000       7.137   21 
-    930000      186000.00      31.946     -18.781      13.165   3.55 0.214 0.824 0.275 0.365     289.830     310.000       6.587   21 
-    940000      188000.00      28.588      -9.623      18.965   3.91 0.286 0.636 0.355 0.200     259.361     310.000       7.367   21 
-    950000      190000.00      30.243     -14.355      15.887   4.09 0.214 0.727 0.302 0.203     274.379     310.000       6.988   21 
-    960000      192000.00      36.146     -10.397      25.749   4.15 0.214 0.769 0.224 1.232     327.938     310.000       7.155   21 
-    970000      194000.00      36.860     -22.666      14.193   2.89 0.500 0.364 0.227 0.471     334.410     310.000       7.337   21 
-    980000      196000.00      36.517     -23.791      12.726   2.90 0.357 0.500 0.236 0.163     331.305     310.000       7.437   21 
-    990000      198000.00      38.672     -26.253      12.420   2.69 0.286 0.429 0.169 0.209     350.853     310.000       7.274   21 
-   1000000      200000.00      28.740     -12.713      16.027   5.54 0.143 0.714 0.195 0.204     260.748     310.000       8.417   21 
+         0           0.00      37.270     113.442     150.711  12.87 0.000   NaN   NaN 4.850     338.128     350.000      15.552   21 
+     10000        2000.00      41.363      -8.589      32.774   4.57 0.143 0.714 0.175 0.734     375.266     350.000       8.893   21 
+     20000        4000.00      32.884       4.840      37.724   8.35 0.071 0.750 0.193 0.498     298.338     350.000      11.626   21 
+     30000        6000.00      33.015       6.183      39.199   5.41 0.071 0.800 0.227 0.494     299.532     350.000       8.676   21 
+     40000        8000.00      31.219       9.251      40.471   5.64 0.000 1.000 0.205 0.754     283.239     350.000      10.167   21 
+     50000       10000.00      34.458      -4.263      30.195   6.54 0.214 0.625 0.432 0.552     312.625     350.000       7.801   21 
+     60000       12000.00      33.702      10.679      44.381   6.14 0.000 1.000 0.432 0.470     305.765     350.000       8.867   21 
+     70000       14000.00      36.455       8.335      44.790   8.76 0.000 1.000 0.364 0.757     330.739     350.000      10.462   21 
+     80000       16000.00      28.736      -7.065      21.671   5.27 0.143 0.778 0.278 0.478     260.708     350.000       7.950   21 
+     90000       18000.00      38.980       6.320      45.300   6.59 0.000 1.000 0.240 0.578     353.645     350.000       7.716   21 
+    100000       20000.00      37.084       0.010      37.094   6.17 0.143 0.667 0.235 0.299     336.446     350.000       8.339   21 
+    110000       22000.00      35.615      -1.245      34.370   5.24 0.143 0.778 0.197 0.140     323.115     340.000       8.220   21 
+    120000       24000.00      33.880      -1.070      32.810   8.41 0.071 0.667 0.152 0.204     307.376     340.000      10.916   21 
+    130000       26000.00      36.974      -3.343      33.631   3.91 0.357 0.643 0.373 0.492     335.444     340.000       7.109   21 
+    140000       28000.00      38.573       5.351      43.924   5.78 0.143 0.600 0.455 0.817     349.950     340.000       7.685   21 
+    150000       30000.00      35.908      -6.063      29.845   5.07 0.000 1.000 0.309 0.599     325.777     340.000       7.786   21 
+    160000       32000.00      41.865      -5.532      36.333   5.75 0.429 0.250 0.205 0.409     379.818     340.000       8.348   21 
+    170000       34000.00      42.076      -2.712      39.363   5.72 0.000 1.000 0.236 0.627     381.732     340.000       7.862   21 
+    180000       36000.00      33.656       0.492      34.149   4.36 0.143 0.667 0.197 0.611     305.347     340.000       8.439   21 
+    190000       38000.00      30.836      -0.847      29.989   4.87 0.071 0.833 0.220 0.400     279.763     340.000       7.691   21 
+    200000       40000.00      28.643      -9.446      19.197   7.06 0.214 0.700 0.264 0.527     259.865     340.000       8.118   21 
+    210000       42000.00      29.790     -11.575      18.215   7.39 0.143 0.714 0.175 0.422     270.273     320.000       8.846   21 
+    220000       44000.00      25.428     -21.637       3.790   4.07 0.214 0.812 0.332 0.377     230.695     320.000       6.398   21 
+    230000       46000.00      31.843      -9.483      22.361   7.06 0.000 1.000 0.328 0.721     288.897     320.000       7.093   21 
+    240000       48000.00      41.064     -12.803      28.261   5.75 0.143 0.600 0.155 0.636     372.556     320.000       9.933   21 
+    250000       50000.00      35.929      -3.838      32.091   7.26 0.071 0.800 0.191 0.855     325.968     320.000       8.583   21 
+    260000       52000.00      38.396     -11.735      26.660   3.85 0.429 0.538 0.175 1.179     348.345     320.000       6.799   21 
+    270000       54000.00      38.103     -24.665      13.438   6.69 0.071 0.909 0.264 0.254     345.691     320.000       7.116   21 
+    280000       56000.00      31.882     -16.871      15.011   3.50 0.143 0.818 0.256 0.858     289.251     320.000       7.399   21 
+    290000       58000.00      32.370      -6.326      26.044   6.18 0.143 0.714 0.227 0.425     293.678     320.000       8.621   21 
+    300000       60000.00      30.547     -15.736      14.811   3.32 0.071 0.889 0.202 1.005     277.141     320.000       7.659   21 
+    310000       62000.00      33.062     -25.842       7.221   3.58 0.214 0.700 0.227 1.161     299.959     310.000       7.241   21 
+    320000       64000.00      42.952     -18.733      24.220   4.30 0.214 0.667 0.242 0.167     389.686     310.000       6.896   21 
+    330000       66000.00      36.650      -8.356      28.294   5.38 0.143 0.714 0.273 0.611     332.509     310.000       7.396   21 
+    340000       68000.00      29.930     -16.130      13.800   5.40 0.214 0.812 0.409 0.426     271.540     310.000       6.571   21 
+    350000       70000.00      25.472     -21.245       4.227   4.82 0.143 0.846 0.315 0.421     231.099     310.000       6.591   21 
+    360000       72000.00      28.138     -12.899      15.239   3.95 0.357 0.500 0.227 0.306     255.285     310.000       7.042   21 
+    370000       74000.00      30.747     -20.959       9.788   4.11 0.214 0.700 0.232 0.675     278.948     310.000       7.486   21 
+    380000       76000.00      35.505     -18.863      16.643   4.11 0.143 0.778 0.389 0.350     322.120     310.000       7.066   21 
+    390000       78000.00      31.109     -11.623      19.486   4.42 0.214 0.667 0.187 0.397     282.234     310.000       8.007   21 
+    400000       80000.00      34.362     -22.521      11.842   3.71 0.143 0.818 0.165 0.668     311.753     310.000       7.288   21 
+    410000       82000.00      30.654     -18.438      12.216   6.33 0.071 0.900 0.218 0.288     278.110     300.000       8.215   21 
+    420000       84000.00      36.026     -30.067       5.959   4.73 0.214 0.700 0.223 0.573     326.844     300.000       7.872   21 
+    430000       86000.00      27.420     -20.968       6.452   4.46 0.143 0.818 0.194 0.296     248.769     300.000       7.652   21 
+    440000       88000.00      31.824     -21.877       9.947   3.24 0.286 0.556 0.263 0.548     288.727     300.000       7.208   21 
+    450000       90000.00      32.447     -24.977       7.470   4.10 0.143 0.818 0.285 0.368     294.378     300.000       7.026   21 
+    460000       92000.00      29.403     -26.313       3.091   3.55 0.286 0.556 0.157 0.317     266.761     300.000       7.697   21 
+    470000       94000.00      31.426     -15.412      16.014   3.54 0.286 0.429 0.188 0.459     285.109     300.000       8.314   21 
+    480000       96000.00      37.572     -25.327      12.245   2.58 0.357 0.500 0.173 0.496     340.875     300.000       7.024   21 
+    490000       98000.00      24.781     -26.788      -2.007   5.73 0.286 0.556 0.162 0.421     224.828     300.000       8.244   21 
+    500000      100000.00      26.350     -30.291      -3.941   2.78 0.214 0.833 0.414 0.540     239.065     300.000       6.612   21 
+    510000      102000.00      32.240     -27.094       5.146   5.00 0.214 0.500 0.167 0.246     292.494     280.000       9.009   21 
+    520000      104000.00      32.053     -44.237     -12.183   3.36 0.286 0.667 0.277 0.582     290.804     280.000       6.430   21 
+    530000      106000.00      25.698     -36.665     -10.968   3.13 0.357 0.722 0.298 0.507     233.141     280.000       6.734   21 
+    540000      108000.00      26.739     -37.180     -10.441   2.67 0.357 0.643 0.175 0.377     242.590     280.000       7.118   21 
+    550000      110000.00      29.586     -29.601      -0.015   3.04 0.357 0.444 0.182 0.301     268.418     280.000       7.316   21 
+    560000      112000.00      29.969     -39.214      -9.245   2.30 0.429 0.400 0.245 0.535     271.890     280.000       6.892   21 
+    570000      114000.00      27.134     -39.629     -12.495   3.60 0.429 0.600 0.324 0.300     246.174     280.000       6.214   21 
+    580000      116000.00      23.048     -35.820     -12.772   2.64 0.214 0.769 0.353 0.473     209.106     280.000       7.059   21 
+    590000      118000.00      36.844     -21.342      15.503   3.04 0.286 0.667 0.288 0.614     334.271     280.000       6.664   21 
+    600000      120000.00      22.749     -32.286      -9.536   6.18 0.214 0.625 0.199 0.607     206.395     280.000       8.287   21 
+    610000      122000.00      36.453     -16.651      19.803   3.72 0.143 0.778 0.222 1.182     330.724     300.000       7.125   21 
+    620000      124000.00      36.407     -23.373      13.034   3.56 0.286 0.733 0.318 0.422     330.300     300.000       6.507   21 
+    630000      126000.00      22.897     -24.240      -1.343   5.41 0.071 0.889 0.253 0.165     207.733     300.000       7.219   21 
+    640000      128000.00      34.402     -32.942       1.460   3.47 0.429 0.538 0.336 0.611     312.109     300.000       6.397   21 
+    650000      130000.00      34.136     -16.138      17.998   3.54 0.429 0.333 0.278 0.483     309.701     300.000       7.002   21 
+    660000      132000.00      30.721     -29.687       1.034   4.00 0.500 0.562 0.415 0.242     278.713     300.000       6.239   21 
+    670000      134000.00      35.192     -35.973      -0.781   3.04 0.214 0.786 0.357 0.725     319.277     300.000       6.602   21 
+    680000      136000.00      31.404     -15.547      15.857   4.45 0.429 0.600 0.400 0.266     284.913     300.000       6.394   21 
+    690000      138000.00      24.161     -20.249       3.912   4.78 0.286 0.600 0.164 0.231     219.201     300.000       8.806   21 
+    700000      140000.00      34.246     -18.811      15.435   3.60 0.286 0.636 0.256 0.907     310.698     300.000       7.718   21 
+    710000      142000.00      33.575     -32.118       1.456   3.15 0.357 0.583 0.322 0.424     304.607     300.000       6.497   21 
+    720000      144000.00      27.769     -13.485      14.284   5.46 0.143 0.800 0.241 0.409     251.933     300.000       6.919   21 
+    730000      146000.00      37.094     -15.056      22.039   3.46 0.286 0.667 0.254 0.850     336.540     300.000       7.292   21 
+    740000      148000.00      28.656     -28.487       0.169   4.05 0.357 0.545 0.331 0.794     259.986     300.000       6.548   21 
+    750000      150000.00      28.055     -24.456       3.599   3.48 0.357 0.583 0.235 0.640     254.528     300.000       6.992   21 
+    760000      152000.00      36.149     -18.228      17.921   4.22 0.214 0.667 0.192 0.887     327.965     300.000       7.503   21 
+    770000      154000.00      28.535     -35.968      -7.433   2.97 0.214 0.750 0.227 0.576     258.886     300.000       6.634   21 
+    780000      156000.00      28.652     -20.793       7.859   2.89 0.357 0.615 0.336 1.306     259.947     300.000       7.119   21 
+    790000      158000.00      29.142     -28.696       0.446   5.88 0.286 0.556 0.162 0.337     264.387     300.000       8.932   21 
+    800000      160000.00      33.235     -17.277      15.958   2.42 0.143 0.714 0.273 0.280     301.525     300.000       7.267   21 
+    810000      162000.00      27.157     -24.878       2.278   5.94 0.071 0.909 0.252 0.369     246.381     300.000       7.612   21 
+    820000      164000.00      27.832     -22.713       5.119   3.96 0.071 0.900 0.277 0.824     252.508     300.000       6.815   21 
+    830000      166000.00      33.130     -21.879      11.250   3.29 0.286 0.733 0.336 0.503     300.568     300.000       7.014   21 
+    840000      168000.00      30.123     -17.280      12.842   4.67 0.143 0.714 0.182 0.404     273.287     300.000       7.673   21 
+    850000      170000.00      29.550     -30.288      -0.738   3.14 0.286 0.789 0.380 0.445     268.091     300.000       6.603   21 
+    860000      172000.00      27.325     -25.704       1.621   2.85 0.286 0.667 0.265 0.459     247.910     300.000       7.174   21 
+    870000      174000.00      27.582     -26.248       1.334   3.67 0.143 0.846 0.332 0.349     250.238     300.000       6.864   21 
+    880000      176000.00      33.106     -12.121      20.985   7.60 0.143 0.600 0.155 0.446     300.354     300.000       9.134   21 
+    890000      178000.00      27.344     -21.301       6.043   3.14 0.214 0.700 0.364 0.349     248.077     300.000       7.399   21 
+    900000      180000.00      25.224     -20.488       4.736   4.43 0.286 0.500 0.165 0.555     228.842     300.000       8.500   21 
+    910000      182000.00      40.212     -32.507       7.705   2.85 0.214 0.812 0.372 0.728     364.823     310.000       7.044   21 
+    920000      184000.00      33.296     -12.491      20.805   5.27 0.143 0.714 0.227 0.846     302.076     310.000       8.405   21 
+    930000      186000.00      31.815     -22.528       9.287   4.28 0.143 0.846 0.255 0.306     288.638     310.000       6.710   21 
+    940000      188000.00      28.894     -23.489       5.406   3.99 0.214 0.800 0.339 0.240     262.143     310.000       6.661   21 
+    950000      190000.00      33.034       3.964      36.998   7.89 0.071 0.750 0.193 0.333     299.705     310.000       9.786   21 
+    960000      192000.00      43.120     -12.936      30.184   3.09 0.214 0.625 0.216 0.374     391.203     310.000       7.834   21 
+    970000      194000.00      38.743     -26.764      11.979   2.86 0.286 0.500 0.199 0.357     351.499     310.000       7.209   21 
+    980000      196000.00      36.951     -23.891      13.060   2.54 0.286 0.556 0.263 0.665     335.235     310.000       7.203   21 
+    990000      198000.00      33.925     -20.345      13.579   2.90 0.286 0.429 0.182 0.877     307.782     310.000       7.558   21 
+   1000000      200000.00      31.666      -6.356      25.310   4.51 0.214 0.000 0.182 0.440     287.288     310.000       8.217   21 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB022.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB022.stat
index c0ed1dc..d52cc90 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB022.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB022.stat
@@ -1,101 +1,101 @@
-         0           0.00      28.903     115.074     143.977  12.87 0.000   NaN   NaN 4.850     262.225     300.000      15.552   22 
-     10000        2000.00      29.426     -27.587       1.838   3.89 0.143 0.857 0.338 0.375     266.965     300.000       6.777   22 
-     20000        4000.00      30.564     -34.212      -3.648   3.15 0.429 0.667 0.298 0.376     277.292     300.000       6.395   22 
-     30000        6000.00      27.530     -32.842      -5.311   2.56 0.500 0.533 0.324 0.280     249.771     300.000       6.548   22 
-     40000        8000.00      29.175     -19.899       9.276   6.44 0.071 0.857 0.234 0.924     264.695     300.000       7.527   22 
-     50000       10000.00      25.975     -26.186      -0.212   6.13 0.143 0.800 0.191 0.371     235.655     300.000       7.975   22 
-     60000       12000.00      25.452     -18.006       7.447   6.24 0.214 0.500 0.182 0.397     230.917     300.000       8.910   22 
-     70000       14000.00      40.551     -22.136      18.415   6.18 0.071 0.923 0.294 0.396     367.901     300.000       7.114   22 
-     80000       16000.00      24.651     -25.839      -1.188   4.10 0.214 0.700 0.268 0.271     223.645     300.000       7.605   22 
-     90000       18000.00      27.544     -18.524       9.020   6.56 0.071 0.917 0.186 0.657     249.897     300.000       7.850   22 
-    100000       20000.00      29.006     -23.363       5.644   4.86 0.143 0.818 0.322 0.698     263.162     300.000       6.912   22 
-    110000       22000.00      30.420     -25.488       4.932   2.44 0.357 0.500 0.173 0.617     275.985     300.000       7.363   22 
-    120000       24000.00      26.195     -25.777       0.418   2.81 0.357 0.615 0.185 0.220     237.654     300.000       7.215   22 
-    130000       26000.00      37.303     -28.566       8.737   2.80 0.286 0.714 0.325 0.764     338.429     300.000       6.881   22 
-    140000       28000.00      27.772     -20.415       7.357   3.35 0.286 0.500 0.318 0.169     251.961     300.000       7.287   22 
-    150000       30000.00      38.155     -25.471      12.684   2.38 0.286 0.667 0.284 0.941     346.164     300.000       6.605   22 
-    160000       32000.00      26.715     -16.680      10.035   3.17 0.071 0.833 0.227 0.179     242.377     300.000       7.591   22 
-    170000       34000.00      34.372     -28.712       5.660   2.99 0.357 0.583 0.197 0.604     311.842     300.000       7.144   22 
-    180000       36000.00      30.534     -25.635       4.898   2.76 0.143 0.750 0.392 0.932     277.019     300.000       6.773   22 
-    190000       38000.00      31.597     -17.087      14.509   6.38 0.286 0.636 0.169 0.241     286.662     300.000       9.285   22 
-    200000       40000.00      36.242     -28.405       7.836   2.81 0.357 0.500 0.236 0.211     328.802     300.000       6.838   22 
-    210000       42000.00      28.491     -16.285      12.206   3.66 0.214 0.727 0.178 0.452     258.484     300.000       7.633   22 
-    220000       44000.00      27.305     -21.646       5.659   3.53 0.214 0.800 0.436 0.447     247.721     300.000       6.756   22 
-    230000       46000.00      28.535     -25.271       3.264   3.79 0.286 0.500 0.188 1.275     258.880     300.000       8.344   22 
-    240000       48000.00      35.951     -26.437       9.514   2.95 0.286 0.500 0.386 0.317     326.165     300.000       7.172   22 
-    250000       50000.00      28.607     -18.671       9.936   3.93 0.071 0.857 0.318 0.457     259.539     300.000       6.967   22 
-    260000       52000.00      29.154     -35.404      -6.250   2.96 0.429 0.625 0.338 0.635     264.498     300.000       6.814   22 
-    270000       54000.00      31.642     -25.876       5.766   3.46 0.214 0.786 0.354 0.355     287.077     300.000       6.262   22 
-    280000       56000.00      28.260     -21.647       6.613   4.53 0.143 0.778 0.182 0.403     256.388     300.000       8.046   22 
-    290000       58000.00      27.009     -27.532      -0.523   2.97 0.429 0.571 0.305 0.350     245.040     300.000       6.874   22 
-    300000       60000.00      29.785     -30.169      -0.384   3.48 0.429 0.667 0.295 0.712     270.225     300.000       6.255   22 
-    310000       62000.00      29.945     -26.731       3.214   2.96 0.429 0.500 0.345 0.411     271.677     290.000       6.959   22 
-    320000       64000.00      35.996     -35.483       0.513   6.13 0.214 0.800 0.245 0.732     326.578     290.000       6.989   22 
-    330000       66000.00      37.440     -38.891      -1.451   5.46 0.214 0.786 0.247 0.269     339.673     290.000       7.179   22 
-    340000       68000.00      33.317     -36.751      -3.434   5.96 0.286 0.714 0.237 0.684     302.272     290.000       6.857   22 
-    350000       70000.00      35.026     -28.905       6.121   3.33 0.357 0.545 0.310 0.381     317.770     290.000       7.043   22 
-    360000       72000.00      26.410     -30.654      -4.244   2.37 0.357 0.615 0.315 0.454     239.608     290.000       6.663   22 
-    370000       74000.00      33.361     -36.245      -2.884   2.98 0.357 0.688 0.264 0.820     302.671     290.000       6.780   22 
-    380000       76000.00      25.567     -32.427      -6.860   4.89 0.357 0.545 0.182 0.579     231.958     290.000       8.309   22 
-    390000       78000.00      33.813     -30.111       3.702   3.07 0.286 0.692 0.248 0.489     306.767     290.000       7.077   22 
-    400000       80000.00      31.829     -32.602      -0.773   2.74 0.429 0.600 0.297 0.468     288.767     290.000       6.609   22 
-    410000       82000.00      31.216     -39.478      -8.262   3.28 0.286 0.692 0.406 0.294     283.211     290.000       6.595   22 
-    420000       84000.00      27.235     -30.225      -2.990   2.71 0.143 0.818 0.310 0.674     247.093     290.000       6.827   22 
-    430000       86000.00      30.858     -30.565       0.293   3.07 0.286 0.692 0.266 1.188     279.959     290.000       7.230   22 
-    440000       88000.00      40.580     -27.908      12.671   2.84 0.286 0.600 0.268 0.402     368.161     290.000       6.645   22 
-    450000       90000.00      25.676     -24.096       1.580   3.28 0.143 0.857 0.315 0.481     232.948     290.000       6.751   22 
-    460000       92000.00      30.935     -28.342       2.592   2.72 0.357 0.500 0.295 0.331     280.657     290.000       7.139   22 
-    470000       94000.00      22.501     -39.812     -17.311   2.48 0.429 0.625 0.264 0.538     204.138     290.000       6.671   22 
-    480000       96000.00      22.195     -34.775     -12.580   3.11 0.429 0.667 0.240 0.918     201.365     290.000       6.472   22 
-    490000       98000.00      30.541     -37.142      -6.601   3.15 0.357 0.545 0.219 0.838     277.084     290.000       6.764   22 
-    500000      100000.00      33.173     -31.757       1.416   2.95 0.214 0.824 0.342 0.869     300.963     290.000       6.420   22 
-    510000      102000.00      23.637     -39.912     -16.275   2.89 0.286 0.733 0.248 0.222     214.448     280.000       6.535   22 
-    520000      104000.00      32.207     -36.093      -3.886   2.42 0.286 0.714 0.312 0.941     292.197     280.000       6.521   22 
-    530000      106000.00      31.957     -41.165      -9.208   3.45 0.357 0.706 0.414 1.121     289.932     280.000       6.484   22 
-    540000      108000.00      28.190     -29.587      -1.397   3.91 0.286 0.636 0.165 0.663     255.753     280.000       8.123   22 
-    550000      110000.00      32.098     -24.271       7.827   6.75 0.357 0.444 0.146 0.471     291.206     280.000       9.187   22 
-    560000      112000.00      31.431     -32.646      -1.216   3.23 0.286 0.667 0.273 0.649     285.155     280.000       7.155   22 
-    570000      114000.00      30.337     -41.166     -10.829   2.92 0.357 0.615 0.255 0.709     275.237     280.000       6.909   22 
-    580000      116000.00      29.283     -33.578      -4.295   3.00 0.357 0.615 0.367 0.825     265.668     280.000       6.395   22 
-    590000      118000.00      29.573     -28.253       1.320   4.48 0.286 0.714 0.325 0.325     268.302     280.000       6.544   22 
-    600000      120000.00      25.027     -33.353      -8.325   3.12 0.214 0.727 0.306 0.842     227.062     280.000       6.564   22 
-    610000      122000.00      25.364     -33.422      -8.058   2.95 0.214 0.700 0.200 0.379     230.118     280.000       7.263   22 
-    620000      124000.00      39.770     -28.295      11.475   3.18 0.286 0.600 0.245 0.316     360.817     280.000       6.830   22 
-    630000      126000.00      24.723     -39.508     -14.786   2.58 0.286 0.600 0.195 0.461     224.297     280.000       7.045   22 
-    640000      128000.00      32.775     -38.015      -5.239   3.40 0.286 0.765 0.310 0.310     297.355     280.000       6.586   22 
-    650000      130000.00      29.834     -31.277      -1.443   3.31 0.214 0.727 0.223 0.296     270.672     280.000       7.188   22 
-    660000      132000.00      29.349     -38.049      -8.700   2.50 0.357 0.444 0.212 0.358     266.271     280.000       7.006   22 
-    670000      134000.00      30.357     -35.032      -4.675   3.64 0.357 0.667 0.315 0.389     275.413     280.000       6.369   22 
-    680000      136000.00      35.465     -39.810      -4.344   2.65 0.357 0.643 0.321 0.384     321.760     280.000       6.663   22 
-    690000      138000.00      21.571     -33.779     -12.207   4.00 0.357 0.583 0.239 0.606     195.708     280.000       6.873   22 
-    700000      140000.00      26.068     -35.916      -9.848   2.75 0.357 0.643 0.292 0.444     236.506     280.000       6.835   22 
-    710000      142000.00      35.694     -44.816      -9.122   3.29 0.286 0.733 0.315 0.413     323.830     270.000       6.392   22 
-    720000      144000.00      31.455     -44.150     -12.695   2.69 0.357 0.545 0.190 0.827     285.376     270.000       7.080   22 
-    730000      146000.00      26.402     -52.381     -25.979   2.74 0.357 0.583 0.220 0.634     239.535     270.000       7.038   22 
-    740000      148000.00      26.651     -39.383     -12.733   2.86 0.214 0.800 0.361 0.865     241.787     270.000       6.565   22 
-    750000      150000.00      21.165     -41.091     -19.926   2.82 0.214 0.786 0.341 1.154     192.022     270.000       6.206   22 
-    760000      152000.00      39.002     -46.338      -7.336   2.87 0.357 0.667 0.252 0.507     353.843     270.000       6.806   22 
-    770000      154000.00      25.491     -42.699     -17.208   2.69 0.429 0.571 0.211 0.542     231.265     270.000       7.093   22 
-    780000      156000.00      29.684     -49.267     -19.583   2.72 0.500 0.588 0.214 0.502     269.311     270.000       6.642   22 
-    790000      158000.00      23.960     -41.589     -17.629   2.67 0.429 0.538 0.301 0.695     217.375     270.000       6.766   22 
-    800000      160000.00      25.909     -48.653     -22.744   3.44 0.286 0.750 0.398 0.322     235.056     270.000       6.326   22 
-    810000      162000.00      25.593     -37.559     -11.965   2.84 0.429 0.500 0.170 0.684     232.196     270.000       6.927   22 
-    820000      164000.00      19.427     -38.378     -18.951   2.70 0.286 0.556 0.172 0.646     176.248     270.000       7.065   22 
-    830000      166000.00      32.230     -45.050     -12.820   2.77 0.357 0.583 0.322 0.284     292.407     270.000       6.600   22 
-    840000      168000.00      25.277     -49.108     -23.831   2.92 0.214 0.786 0.325 0.656     229.330     270.000       6.282   22 
-    850000      170000.00      32.089     -44.808     -12.719   2.48 0.357 0.583 0.170 0.363     291.128     270.000       6.824   22 
-    860000      172000.00      30.684     -48.276     -17.591   2.85 0.429 0.684 0.244 0.559     278.385     270.000       6.710   22 
-    870000      174000.00      31.117     -33.954      -2.837   5.09 0.214 0.625 0.170 0.402     282.307     270.000       8.426   22 
-    880000      176000.00      31.620     -44.829     -13.208   2.77 0.357 0.615 0.231 0.921     286.877     270.000       6.699   22 
-    890000      178000.00      30.351     -44.020     -13.669   2.61 0.286 0.667 0.258 0.846     275.357     270.000       6.565   22 
-    900000      180000.00      26.217     -46.385     -20.168   2.54 0.500 0.632 0.266 0.744     237.850     270.000       6.241   22 
-    910000      182000.00      30.188     -52.708     -22.520   2.71 0.500 0.588 0.219 0.376     273.883     260.000       7.217   22 
-    920000      184000.00      33.254     -44.619     -11.364   2.62 0.214 0.800 0.285 0.723     301.701     260.000       6.440   22 
-    930000      186000.00      24.450     -50.386     -25.936   2.62 0.286 0.714 0.292 0.831     221.827     260.000       6.632   22 
-    940000      188000.00      27.336     -44.555     -17.219   3.14 0.357 0.706 0.278 0.554     248.009     260.000       6.554   22 
-    950000      190000.00      30.506     -52.623     -22.117   2.72 0.357 0.583 0.295 1.051     276.764     260.000       6.844   22 
-    960000      192000.00      18.521     -45.848     -27.328   2.92 0.357 0.750 0.366 0.906     168.030     260.000       6.530   22 
-    970000      194000.00      25.486     -51.671     -26.185   2.93 0.429 0.667 0.356 0.449     231.226     260.000       6.282   22 
-    980000      196000.00      21.994     -46.453     -24.458   2.84 0.286 0.600 0.200 0.606     199.543     260.000       6.815   22 
-    990000      198000.00      29.989     -43.178     -13.189   2.97 0.357 0.615 0.259 0.459     272.074     260.000       6.838   22 
-   1000000      200000.00      29.862     -51.747     -21.885   2.50 0.286 0.636 0.248 0.243     270.922     260.000       6.800   22 
+         0           0.00      34.684     113.174     147.858  12.87 0.000   NaN   NaN 4.850     314.670     360.000      15.552   22 
+     10000        2000.00      33.847       4.336      38.183   4.54 0.000 1.000 0.273 0.289     307.077     360.000       8.701   22 
+     20000        4000.00      34.108      16.528      50.636   4.56 0.000 1.000 0.364 0.770     309.445     360.000       8.662   22 
+     30000        6000.00      32.752       5.230      37.982   5.53 0.071 0.800 0.191 0.315     297.143     360.000       8.704   22 
+     40000        8000.00      35.475      16.498      51.973   7.54 0.071 0.000 0.182 0.304     321.852     360.000      11.148   22 
+     50000       10000.00      35.602      12.196      47.799   4.82 0.000 1.000 0.562 0.462     323.004     360.000       8.778   22 
+     60000       12000.00      29.750      -0.783      28.967   7.40 0.071 0.750 0.307 0.548     269.910     360.000       7.666   22 
+     70000       14000.00      50.831      -1.384      49.447   4.79 0.071 0.909 0.335 0.847     461.163     360.000       8.171   22 
+     80000       16000.00      27.800      16.314      44.114  10.58 0.000 1.000 0.159 0.360     252.218     360.000      13.628   22 
+     90000       18000.00      26.158      12.933      39.090   7.29 0.143 0.500 0.182 0.370     237.316     360.000       9.747   22 
+    100000       20000.00      35.146       5.110      40.256   6.09 0.214 0.250 0.182 0.216     318.861     360.000       9.481   22 
+    110000       22000.00      35.702       2.756      38.457   6.12 0.214 0.700 0.273 0.409     323.903     360.000       7.544   22 
+    120000       24000.00      32.859      -0.607      32.252   8.04 0.214 0.571 0.175 0.857     298.118     360.000      10.023   22 
+    130000       26000.00      48.747       1.621      50.368   6.42 0.143 0.500 0.205 0.516     442.260     360.000       9.807   22 
+    140000       28000.00      35.731       3.891      39.622   5.88 0.000 1.000 0.227 0.371     324.168     360.000       9.421   22 
+    150000       30000.00      47.043       1.592      48.635   6.87 0.143 0.778 0.177 1.154     426.797     360.000       8.104   22 
+    160000       32000.00      31.085      -9.288      21.796   6.49 0.071 0.900 0.314 0.403     282.015     360.000       6.967   22 
+    170000       34000.00      37.568      15.395      52.963   4.99 0.071 0.750 0.261 1.533     340.836     360.000       8.809   22 
+    180000       36000.00      39.974       7.271      47.245   7.43 0.000 1.000 0.318 0.586     362.662     360.000       9.200   22 
+    190000       38000.00      34.777      -4.437      30.340   6.58 0.071 0.833 0.189 0.291     315.516     360.000       8.124   22 
+    200000       40000.00      42.566       6.835      49.401   3.81 0.357 0.500 0.336 1.099     386.180     360.000       7.416   22 
+    210000       42000.00      31.685      15.099      46.784   6.86 0.000 1.000 0.500 0.430     287.458     360.000       7.245   22 
+    220000       44000.00      36.434      11.912      48.346   8.20 0.000 1.000 0.136 0.776     330.544     360.000      12.315   22 
+    230000       46000.00      35.055       2.226      37.281   4.83 0.143 0.750 0.227 0.823     318.040     360.000       8.002   22 
+    240000       48000.00      42.798      -6.537      36.261   4.83 0.214 0.786 0.377 0.359     388.282     360.000       7.046   22 
+    250000       50000.00      33.957      -4.315      29.642   5.27 0.214 0.700 0.355 0.243     308.077     360.000       7.090   22 
+    260000       52000.00      35.063       0.255      35.319   6.30 0.071 0.857 0.286 0.482     318.111     360.000       7.888   22 
+    270000       54000.00      37.206       5.920      43.125   6.35 0.143 0.750 0.250 0.758     337.550     360.000       7.765   22 
+    280000       56000.00      31.549       5.405      36.953   5.15 0.000 1.000 0.220 0.822     286.225     360.000       7.908   22 
+    290000       58000.00      32.828       2.287      35.114   6.87 0.143 0.778 0.278 0.563     297.829     360.000       7.623   22 
+    300000       60000.00      32.453       3.797      36.250   5.59 0.071 0.909 0.384 0.388     294.427     360.000       8.166   22 
+    310000       62000.00      35.465      15.794      51.258   5.57 0.000 1.000 0.379 0.934     321.753     360.000       8.434   22 
+    320000       64000.00      42.797       7.032      49.829   6.50 0.071 0.875 0.222 0.506     388.277     360.000       8.130   22 
+    330000       66000.00      43.618       4.576      48.193   6.42 0.071 0.833 0.197 0.505     395.721     360.000       9.538   22 
+    340000       68000.00      41.374       3.447      44.821  10.43 0.000 1.000 0.227 1.006     375.369     360.000      12.932   22 
+    350000       70000.00      42.019       6.546      48.564   5.34 0.071 0.667 0.273 0.600     381.214     360.000       8.915   22 
+    360000       72000.00      32.357       9.417      41.774   6.99 0.071 0.667 0.227 0.889     293.558     360.000       9.974   22 
+    370000       74000.00      40.621       7.600      48.221   3.90 0.071 0.800 0.218 1.455     368.532     360.000       8.001   22 
+    380000       76000.00      32.672      -2.662      30.010   5.56 0.000 1.000 0.351 0.457     296.421     360.000       8.496   22 
+    390000       78000.00      41.157       6.983      48.141   4.44 0.000 1.000 0.364 0.601     373.399     360.000       7.758   22 
+    400000       80000.00      38.858       2.594      41.453   7.31 0.143 0.667 0.152 0.791     352.544     360.000       8.634   22 
+    410000       82000.00      39.900       9.485      49.384   5.90 0.000 1.000 0.258 0.708     361.990     380.000       7.802   22 
+    420000       84000.00      34.184      -0.393      33.791   6.51 0.071 0.857 0.305 0.592     310.137     380.000       8.889   22 
+    430000       86000.00      40.509      11.943      52.452   7.39 0.143 0.750 0.330 0.696     367.521     380.000       8.189   22 
+    440000       88000.00      51.416      14.678      66.095   7.23 0.214 0.571 0.234 0.176     466.477     380.000       7.771   22 
+    450000       90000.00      37.007      11.764      48.771   5.34 0.143 0.667 0.341 0.896     335.747     380.000       8.352   22 
+    460000       92000.00      40.019       7.024      47.043   3.93 0.071 0.833 0.182 0.261     363.073     380.000       7.657   22 
+    470000       94000.00      28.986       8.961      37.947  11.84 0.000 1.000 0.159 0.759     262.976     380.000      14.703   22 
+    480000       96000.00      28.036      -1.553      26.483   3.97 0.286 0.667 0.288 0.474     254.361     380.000       6.848   22 
+    490000       98000.00      35.439       5.615      41.055   6.58 0.000 1.000 0.273 0.478     321.523     380.000       8.288   22 
+    500000      100000.00      41.694       5.388      47.083   5.73 0.071 0.857 0.331 0.760     378.274     380.000       7.799   22 
+    510000      102000.00      33.304      16.466      49.770   7.69 0.071 0.500 0.250 0.379     302.155     370.000      10.717   22 
+    520000      104000.00      39.032      12.208      51.241   6.49 0.071 0.667 0.333 0.605     354.120     370.000       8.803   22 
+    530000      106000.00      39.633       5.546      45.179   6.72 0.071 0.875 0.199 1.238     359.568     370.000       8.323   22 
+    540000      108000.00      36.896      13.649      50.545   5.51 0.000 1.000 0.250 1.140     334.736     370.000       8.304   22 
+    550000      110000.00      42.254       4.213      46.467   5.79 0.214 0.571 0.357 0.736     383.352     370.000       7.649   22 
+    560000      112000.00      40.758       3.589      44.347   4.39 0.071 0.875 0.352 0.450     369.777     370.000       7.792   22 
+    570000      114000.00      37.148       8.620      45.768   9.18 0.000 1.000 0.182 0.322     337.025     370.000      12.089   22 
+    580000      116000.00      37.502      10.522      48.025   6.77 0.143 0.333 0.303 0.143     340.242     370.000       8.198   22 
+    590000      118000.00      41.985       9.117      51.102   7.37 0.071 0.750 0.216 0.950     380.906     370.000      11.373   22 
+    600000      120000.00      36.144       6.285      42.429   5.40 0.214 0.500 0.197 0.317     327.922     370.000       8.833   22 
+    610000      122000.00      32.416      -1.200      31.215   6.62 0.143 0.750 0.182 0.215     294.093     350.000       8.747   22 
+    620000      124000.00      46.629      -2.753      43.876   5.49 0.071 0.800 0.427 0.268     423.038     350.000       7.691   22 
+    630000      126000.00      32.365      -1.663      30.703   6.04 0.071 0.889 0.460 0.452     293.636     350.000       7.946   22 
+    640000      128000.00      37.759       2.317      40.076   7.93 0.286 0.333 0.144 0.622     342.566     350.000      10.831   22 
+    650000      130000.00      37.888       0.818      38.706   4.67 0.143 0.714 0.279 0.572     343.737     350.000       8.063   22 
+    660000      132000.00      30.563       7.995      38.559   6.12 0.071 0.500 0.205 0.542     277.287     350.000       9.342   22 
+    670000      134000.00      37.702       7.964      45.665   4.90 0.000 1.000 0.432 0.715     342.049     350.000       8.543   22 
+    680000      136000.00      44.718     -10.618      34.100   5.62 0.143 0.800 0.323 0.396     405.703     350.000       7.318   22 
+    690000      138000.00      30.181       7.471      37.651   5.19 0.000 1.000 0.282 0.406     273.814     350.000       8.168   22 
+    700000      140000.00      33.655       4.640      38.295   6.21 0.000 1.000 0.280 0.352     305.333     350.000       8.430   22 
+    710000      142000.00      41.739       4.877      46.615   5.43 0.071 0.800 0.273 0.317     378.674     350.000       7.915   22 
+    720000      144000.00      43.262       5.991      49.254   5.83 0.071 0.833 0.205 1.144     392.499     350.000       8.924   22 
+    730000      146000.00      32.726      -0.033      32.693   4.41 0.286 0.667 0.277 0.402     296.910     350.000       6.724   22 
+    740000      148000.00      36.020      -2.637      33.383   7.11 0.143 0.750 0.284 1.046     326.793     350.000       7.427   22 
+    750000      150000.00      31.522     -11.443      20.078   5.24 0.286 0.692 0.353 0.963     285.981     350.000       7.177   22 
+    760000      152000.00      45.635      -6.474      39.160   5.40 0.071 0.889 0.369 0.396     414.021     350.000       7.259   22 
+    770000      154000.00      33.475      -4.195      29.281   4.50 0.214 0.667 0.303 0.545     303.706     350.000       7.779   22 
+    780000      156000.00      41.300       6.294      47.594   7.14 0.000 1.000 0.167 0.361     374.697     350.000      11.196   22 
+    790000      158000.00      29.905       5.784      35.688   7.17 0.071 0.833 0.386 0.454     271.309     350.000       8.107   22 
+    800000      160000.00      36.257      -2.219      34.038   6.47 0.071 0.889 0.343 0.625     328.947     350.000       7.238   22 
+    810000      162000.00      35.868       0.582      36.451   4.43 0.286 0.429 0.162 0.224     325.416     340.000       7.679   22 
+    820000      164000.00      24.313     -12.741      11.572   5.68 0.143 0.833 0.239 0.400     220.582     340.000       6.946   22 
+    830000      166000.00      38.822      -3.577      35.246   4.50 0.143 0.600 0.400 0.406     352.217     340.000       7.515   22 
+    840000      168000.00      30.115       9.362      39.477   6.82 0.143 0.714 0.175 0.715     273.219     340.000      10.993   22 
+    850000      170000.00      38.988     -10.022      28.966   5.80 0.143 0.867 0.309 0.181     353.716     340.000       6.870   22 
+    860000      172000.00      37.836       1.962      39.799   4.02 0.143 0.600 0.309 0.922     343.270     340.000       8.605   22 
+    870000      174000.00      42.308       7.925      50.233   6.60 0.071 0.500 0.182 0.673     383.844     340.000      10.283   22 
+    880000      176000.00      35.998      -7.885      28.113   4.58 0.143 0.800 0.318 0.696     326.597     340.000       6.840   22 
+    890000      178000.00      37.407      -0.264      37.143   6.09 0.214 0.400 0.227 0.981     339.377     340.000       9.793   22 
+    900000      180000.00      34.788      15.526      50.314   6.52 0.000   NaN   NaN 0.232     315.615     340.000       9.476   22 
+    910000      182000.00      44.178      25.428      69.605   8.09 0.000   NaN   NaN 0.144     400.802     400.000      11.043   22 
+    920000      184000.00      53.235       6.777      60.012   6.43 0.000 1.000 0.352 0.848     482.974     400.000       7.848   22 
+    930000      186000.00      38.252       8.008      46.260   5.52 0.000 1.000 0.500 1.053     347.038     400.000       8.175   22 
+    940000      188000.00      43.579      13.000      56.579   5.45 0.000 1.000 0.250 0.732     395.372     400.000       8.910   22 
+    950000      190000.00      46.845      13.980      60.825   6.29 0.000 1.000 0.682 0.920     425.000     400.000       9.665   22 
+    960000      192000.00      32.921      10.136      43.057   5.45 0.071 0.875 0.250 0.557     298.677     400.000       7.686   22 
+    970000      194000.00      41.071       8.061      49.132   5.93 0.000 1.000 0.303 0.379     372.613     400.000       8.624   22 
+    980000      196000.00      32.083      25.187      57.270   5.52 0.071 0.000 0.227 0.383     291.076     400.000       8.490   22 
+    990000      198000.00      39.771      19.525      59.296   3.64 0.071 0.750 0.455 0.947     360.822     400.000       8.446   22 
+   1000000      200000.00      46.974      14.708      61.681   7.37 0.143 0.333 0.182 0.368     426.171     400.000      10.798   22 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB023.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB023.stat
index e84f3bf..3b4476c 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB023.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB023.stat
@@ -1,101 +1,101 @@
-         0           0.00      24.733     115.074     139.807  12.87 0.000   NaN   NaN 4.850     224.388     300.000      15.552   23 
-     10000        2000.00      26.029     -19.420       6.609   3.88 0.214 0.727 0.194 0.361     236.145     300.000       6.621   23 
-     20000        4000.00      33.349     -30.445       2.904   3.14 0.286 0.667 0.261 0.686     302.557     300.000       7.102   23 
-     30000        6000.00      32.966     -24.386       8.580   3.27 0.214 0.769 0.297 0.292     299.085     300.000       7.019   23 
-     40000        8000.00      39.479     -31.332       8.147   3.16 0.286 0.765 0.364 0.519     358.172     300.000       6.717   23 
-     50000       10000.00      34.819     -26.914       7.905   2.78 0.357 0.688 0.264 0.673     315.894     300.000       7.052   23 
-     60000       12000.00      30.515     -33.302      -2.787   3.71 0.143 0.833 0.360 1.092     276.847     300.000       6.832   23 
-     70000       14000.00      31.210     -29.195       2.014   2.56 0.357 0.583 0.280 0.424     283.149     300.000       6.920   23 
-     80000       16000.00      30.703     -25.960       4.743   3.12 0.214 0.667 0.288 0.437     278.553     300.000       7.147   23 
-     90000       18000.00      23.191     -24.764      -1.573   3.21 0.214 0.700 0.241 0.481     210.405     300.000       7.296   23 
-    100000       20000.00      26.444     -28.894      -2.450   2.91 0.429 0.625 0.264 0.474     239.913     300.000       7.026   23 
-    110000       22000.00      30.847     -24.839       6.008   3.11 0.214 0.786 0.328 1.060     279.859     300.000       6.881   23 
-    120000       24000.00      41.996     -18.154      23.842   3.35 0.286 0.667 0.212 1.494     381.011     300.000       6.834   23 
-    130000       26000.00      22.444     -27.111      -4.667   6.23 0.143 0.818 0.223 0.281     203.624     300.000       7.283   23 
-    140000       28000.00      31.251     -28.088       3.162   2.58 0.357 0.615 0.280 0.681     283.524     300.000       6.847   23 
-    150000       30000.00      26.709     -27.545      -0.836   5.59 0.214 0.769 0.308 0.694     242.318     300.000       7.174   23 
-    160000       32000.00      40.156     -19.071      21.085   5.49 0.071 0.900 0.205 1.061     364.318     300.000       6.562   23 
-    170000       34000.00      35.126     -31.026       4.100   5.65 0.071 0.909 0.339 0.268     318.681     300.000       6.780   23 
-    180000       36000.00      36.733     -24.869      11.864   4.24 0.286 0.636 0.289 0.842     333.261     300.000       6.811   23 
-    190000       38000.00      23.726     -30.657      -6.932   3.06 0.214 0.625 0.347 0.456     215.253     300.000       6.832   23 
-    200000       40000.00      34.361     -25.489       8.872   2.65 0.286 0.600 0.241 0.294     311.739     300.000       6.821   23 
-    210000       42000.00      23.190     -20.478       2.712   4.04 0.143 0.778 0.283 0.434     210.390     300.000       6.901   23 
-    220000       44000.00      31.283     -15.479      15.804   4.20 0.214 0.625 0.182 1.038     283.814     300.000       8.303   23 
-    230000       46000.00      25.728     -25.933      -0.204   3.49 0.214 0.667 0.167 0.389     233.421     300.000       8.063   23 
-    240000       48000.00      25.965     -33.326      -7.361   3.22 0.214 0.727 0.211 0.453     235.565     300.000       7.210   23 
-    250000       50000.00      20.956     -18.237       2.719   3.60 0.357 0.615 0.315 0.591     190.125     300.000       6.789   23 
-    260000       52000.00      27.748      -7.303      20.445   6.56 0.286 0.429 0.169 0.545     251.748     300.000       8.496   23 
-    270000       54000.00      25.673     -24.613       1.060   3.60 0.286 0.667 0.258 0.451     232.921     300.000       6.720   23 
-    280000       56000.00      34.465     -21.571      12.894   3.45 0.286 0.600 0.186 0.725     312.682     300.000       7.641   23 
-    290000       58000.00      37.449     -21.761      15.688   2.68 0.214 0.667 0.217 0.786     339.756     300.000       6.902   23 
-    300000       60000.00      23.833     -32.262      -8.429   2.95 0.214 0.667 0.313 0.338     216.224     300.000       6.880   23 
-    310000       62000.00      26.237     -19.508       6.729   3.15 0.214 0.667 0.227 0.606     238.036     300.000       7.502   23 
-    320000       64000.00      31.819     -33.635      -1.816   2.67 0.286 0.714 0.308 0.872     288.679     300.000       6.623   23 
-    330000       66000.00      27.936     -15.368      12.568   2.95 0.286 0.750 0.355 0.548     253.449     300.000       6.945   23 
-    340000       68000.00      36.423     -25.610      10.813   3.33 0.214 0.667 0.187 0.173     330.449     300.000       7.420   23 
-    350000       70000.00      30.138     -25.358       4.780   3.51 0.214 0.625 0.216 0.364     273.430     300.000       7.370   23 
-    360000       72000.00      27.792     -23.031       4.761   3.64 0.071 0.889 0.217 0.360     252.147     300.000       7.679   23 
-    370000       74000.00      26.658     -19.033       7.624   4.82 0.214 0.812 0.358 0.242     241.852     300.000       6.653   23 
-    380000       76000.00      26.132     -24.375       1.757   2.77 0.286 0.600 0.236 0.377     237.085     300.000       7.246   23 
-    390000       78000.00      24.785     -32.099      -7.314   2.72 0.429 0.600 0.303 0.491     224.864     300.000       6.784   23 
-    400000       80000.00      30.380     -27.921       2.458   4.50 0.286 0.429 0.175 0.800     275.620     300.000       8.506   23 
-    410000       82000.00      30.004     -23.451       6.553   3.48 0.357 0.583 0.273 0.350     272.209     300.000       6.591   23 
-    420000       84000.00      33.467     -31.202       2.265   2.75 0.357 0.706 0.294 0.845     303.630     300.000       6.758   23 
-    430000       86000.00      28.501     -29.015      -0.513   3.42 0.214 0.769 0.297 1.003     258.580     300.000       6.522   23 
-    440000       88000.00      31.106     -15.254      15.852   3.06 0.286 0.714 0.269 0.499     282.208     300.000       6.841   23 
-    450000       90000.00      30.333     -20.736       9.596   4.19 0.071 0.833 0.167 0.322     275.193     300.000       7.573   23 
-    460000       92000.00      28.084     -28.883      -0.799   3.07 0.357 0.500 0.177 0.301     254.790     300.000       7.494   23 
-    470000       94000.00      31.987     -23.089       8.898   3.52 0.286 0.600 0.241 0.506     290.198     300.000       7.117   23 
-    480000       96000.00      22.277     -33.895     -11.618   2.70 0.429 0.600 0.261 0.332     202.107     300.000       6.784   23 
-    490000       98000.00      32.457     -22.222      10.236   3.06 0.286 0.600 0.227 0.489     294.471     300.000       7.554   23 
-    500000      100000.00      36.117     -12.582      23.535   5.89 0.143 0.750 0.216 0.215     327.676     300.000       8.023   23 
-    510000      102000.00      26.175     -23.993       2.182   4.34 0.286 0.692 0.357 0.376     237.471     300.000       6.601   23 
-    520000      104000.00      27.816     -31.290      -3.475   2.81 0.143 0.714 0.247 0.453     252.359     300.000       7.038   23 
-    530000      106000.00      28.351     -36.201      -7.850   2.90 0.143 0.857 0.396 0.430     257.219     300.000       6.649   23 
-    540000      108000.00      35.049     -31.968       3.081   3.26 0.214 0.786 0.299 0.663     317.981     300.000       6.898   23 
-    550000      110000.00      30.931     -20.459      10.473   6.97 0.143 0.750 0.233 0.347     280.624     300.000       7.694   23 
-    560000      112000.00      27.100     -32.690      -5.590   2.55 0.500 0.462 0.234 0.745     245.862     300.000       6.766   23 
-    570000      114000.00      25.064     -38.795     -13.732   3.41 0.429 0.625 0.381 0.350     227.390     300.000       6.337   23 
-    580000      116000.00      30.260     -27.296       2.965   3.33 0.214 0.727 0.215 0.734     274.538     300.000       7.142   23 
-    590000      118000.00      35.700     -31.822       3.879   3.02 0.286 0.733 0.288 1.497     323.893     300.000       6.610   23 
-    600000      120000.00      31.927     -13.726      18.201   4.75 0.000 1.000 0.193 0.247     289.660     300.000       8.561   23 
-    610000      122000.00      33.311     -17.295      16.016   4.87 0.071 0.800 0.245 0.897     302.215     300.000       8.101   23 
-    620000      124000.00      37.006     -22.176      14.830   3.68 0.286 0.692 0.196 0.438     335.736     300.000       7.519   23 
-    630000      126000.00      32.327     -27.968       4.359   3.09 0.214 0.727 0.343 1.664     293.289     300.000       6.618   23 
-    640000      128000.00      35.885     -23.809      12.076   5.56 0.214 0.700 0.218 0.593     325.570     300.000       7.981   23 
-    650000      130000.00      33.278     -23.976       9.302   5.29 0.071 0.833 0.197 0.398     301.918     300.000       7.936   23 
-    660000      132000.00      30.672     -36.957      -6.285   2.86 0.429 0.625 0.372 0.312     278.270     300.000       6.459   23 
-    670000      134000.00      34.352     -29.458       4.894   2.91 0.357 0.615 0.259 1.176     311.657     300.000       6.917   23 
-    680000      136000.00      33.294     -27.403       5.891   3.27 0.214 0.727 0.248 0.231     302.060     300.000       7.274   23 
-    690000      138000.00      33.817     -29.470       4.347   2.63 0.286 0.600 0.345 0.605     306.801     300.000       7.163   23 
-    700000      140000.00      29.043     -26.320       2.723   2.87 0.357 0.583 0.299 0.416     263.495     300.000       6.702   23 
-    710000      142000.00      33.544     -25.440       8.104   5.07 0.214 0.625 0.176 1.798     304.331     300.000       8.450   23 
-    720000      144000.00      26.134     -29.976      -3.842   3.78 0.214 0.750 0.227 0.421     237.102     300.000       6.702   23 
-    730000      146000.00      31.893     -25.236       6.657   3.38 0.357 0.615 0.234 1.146     289.351     300.000       7.253   23 
-    740000      148000.00      35.098     -24.519      10.579   6.53 0.071 0.923 0.304 0.727     318.425     300.000       7.332   23 
-    750000      150000.00      27.096     -18.778       8.318   6.06 0.071 0.800 0.182 0.225     245.832     300.000       8.978   23 
-    760000      152000.00      26.311     -21.361       4.950   5.89 0.143 0.800 0.182 0.445     238.710     300.000       8.573   23 
-    770000      154000.00      30.777     -33.497      -2.720   3.49 0.214 0.625 0.233 0.272     279.226     300.000       7.695   23 
-    780000      156000.00      26.884     -25.618       1.266   2.99 0.286 0.714 0.256 0.271     243.906     300.000       7.193   23 
-    790000      158000.00      32.173     -17.184      14.989   2.59 0.214 0.500 0.273 0.653     291.886     300.000       7.120   23 
-    800000      160000.00      37.838     -20.439      17.400   2.19 0.429 0.400 0.227 0.458     343.290     300.000       6.923   23 
-    810000      162000.00      35.135     -21.339      13.797   2.88 0.214 0.667 0.232 0.905     318.767     300.000       6.881   23 
-    820000      164000.00      34.871     -30.652       4.219   2.98 0.429 0.571 0.292 0.625     316.371     300.000       7.181   23 
-    830000      166000.00      34.991     -27.400       7.590   2.71 0.214 0.727 0.252 1.133     317.452     300.000       6.941   23 
-    840000      168000.00      25.907     -26.739      -0.832   3.66 0.214 0.700 0.214 0.242     235.045     300.000       6.669   23 
-    850000      170000.00      28.505     -31.350      -2.846   3.71 0.286 0.667 0.470 0.601     258.609     300.000       6.575   23 
-    860000      172000.00      22.447     -25.580      -3.133   3.08 0.143 0.867 0.355 0.466     203.648     300.000       6.815   23 
-    870000      174000.00      31.486     -25.398       6.088   4.77 0.214 0.625 0.182 0.403     285.660     300.000       7.958   23 
-    880000      176000.00      41.505     -27.862      13.643   3.24 0.286 0.667 0.254 0.763     376.552     300.000       6.841   23 
-    890000      178000.00      34.865     -21.197      13.668   5.13 0.071 0.875 0.216 0.414     316.311     300.000       7.263   23 
-    900000      180000.00      31.711     -30.118       1.593   3.88 0.214 0.769 0.315 0.561     287.700     300.000       6.569   23 
-    910000      182000.00      35.429     -14.300      21.129   3.47 0.214 0.727 0.310 0.531     321.427     310.000       7.494   23 
-    920000      184000.00      30.791     -18.631      12.160   4.42 0.143 0.818 0.269 0.547     279.348     310.000       7.297   23 
-    930000      186000.00      29.733     -28.005       1.728   3.23 0.286 0.714 0.305 0.522     269.752     310.000       6.335   23 
-    940000      188000.00      32.968     -21.448      11.520   7.23 0.286 0.556 0.162 1.201     299.104     310.000       8.787   23 
-    950000      190000.00      29.931     -17.887      12.044   3.40 0.214 0.786 0.373 0.415     271.552     310.000       7.000   23 
-    960000      192000.00      36.427     -18.030      18.398   4.27 0.214 0.625 0.210 0.495     330.488     310.000       7.146   23 
-    970000      194000.00      28.140     -22.624       5.516   6.92 0.071 0.875 0.273 0.489     255.300     310.000       7.861   23 
-    980000      196000.00      30.029     -11.616      18.414   3.78 0.214 0.786 0.357 0.223     272.443     310.000       6.552   23 
-    990000      198000.00      27.879     -18.599       9.281   3.50 0.214 0.667 0.192 0.558     252.935     310.000       7.527   23 
-   1000000      200000.00      31.123     -18.915      12.208   2.61 0.214 0.700 0.291 0.313     282.364     310.000       6.897   23 
+         0           0.00      29.679     113.174     142.854  12.87 0.000   NaN   NaN 4.850     269.265     360.000      15.552   23 
+     10000        2000.00      32.643      -4.122      28.521   4.82 0.071 0.889 0.384 0.778     296.152     360.000       7.199   23 
+     20000        4000.00      42.339       1.700      44.040   4.40 0.000 1.000 0.564 1.015     384.125     360.000       7.830   23 
+     30000        6000.00      38.425      11.322      49.747   6.78 0.143 0.667 0.197 0.203     348.612     360.000      10.058   23 
+     40000        8000.00      44.711       8.918      53.629   7.69 0.143 0.333 0.182 0.597     405.642     360.000       9.561   23 
+     50000       10000.00      42.298       1.514      43.812   7.15 0.000 1.000 0.235 0.454     383.749     360.000       9.357   23 
+     60000       12000.00      36.077       1.397      37.473   5.85 0.071 0.909 0.302 0.805     327.305     360.000       7.249   23 
+     70000       14000.00      41.502       2.264      43.766   7.66 0.071 0.857 0.214 0.572     376.523     360.000       8.862   23 
+     80000       16000.00      38.834       5.161      43.996   5.70 0.071 0.800 0.445 0.524     352.326     360.000       7.914   23 
+     90000       18000.00      32.309       6.374      38.683   5.60 0.143 0.667 0.273 0.536     293.123     360.000       7.891   23 
+    100000       20000.00      32.230      11.777      44.007   7.59 0.071 0.000 0.136 1.097     292.404     360.000      11.614   23 
+    110000       22000.00      35.592       7.222      42.814   5.39 0.071 0.833 0.348 0.344     322.909     350.000       7.977   23 
+    120000       24000.00      55.570      -3.643      51.928   4.41 0.214 0.625 0.352 1.182     504.163     350.000       6.871   23 
+    130000       26000.00      26.380      -1.989      24.391   6.24 0.143 0.600 0.209 0.347     239.335     350.000       9.402   23 
+    140000       28000.00      36.446       1.708      38.154   3.92 0.214 0.571 0.273 0.403     330.661     350.000       7.155   23 
+    150000       30000.00      32.847      -1.118      31.729   5.38 0.143 0.714 0.370 0.957     298.007     350.000       7.787   23 
+    160000       32000.00      51.744       7.861      59.605   7.67 0.071 0.800 0.218 1.001     469.447     350.000       9.939   23 
+    170000       34000.00      40.652       2.343      42.995   4.81 0.214 0.625 0.364 0.298     368.817     350.000       7.335   23 
+    180000       36000.00      37.861      -0.823      37.038   4.62 0.357 0.286 0.149 0.183     343.491     350.000       7.829   23 
+    190000       38000.00      28.105      10.332      38.437   6.47 0.071 0.750 0.261 0.288     254.986     350.000       9.538   23 
+    200000       40000.00      39.618       0.582      40.199   6.63 0.071 0.857 0.234 0.761     359.431     350.000       8.034   23 
+    210000       42000.00      27.287      10.098      37.386   6.06 0.143 0.333 0.182 1.381     247.563     350.000       9.746   23 
+    220000       44000.00      39.759       6.318      46.077   5.93 0.000 1.000 0.136 0.687     360.718     350.000       9.949   23 
+    230000       46000.00      33.099       5.317      38.416   9.73 0.000 1.000 0.191 0.337     300.293     350.000      12.447   23 
+    240000       48000.00      27.333       0.544      27.878   6.25 0.214 0.750 0.284 0.345     247.982     350.000       7.752   23 
+    250000       50000.00      28.661      -3.061      25.599   4.34 0.000 1.000 0.268 0.282     260.024     350.000       7.305   23 
+    260000       52000.00      31.212      -0.095      31.117   4.11 0.000 1.000 0.487 0.283     283.171     350.000       8.244   23 
+    270000       54000.00      26.091       1.924      28.015   7.04 0.143 0.500 0.159 0.544     236.711     350.000      10.287   23 
+    280000       56000.00      38.464      12.521      50.985   6.43 0.071 0.857 0.312 0.449     348.966     350.000       7.467   23 
+    290000       58000.00      44.534      -5.074      39.460   5.71 0.071 0.800 0.245 0.363     404.035     350.000       8.594   23 
+    300000       60000.00      27.994      -5.384      22.610   5.14 0.143 0.667 0.167 0.626     253.975     350.000       8.562   23 
+    310000       62000.00      29.849      -1.746      28.103   5.04 0.071 0.929 0.383 0.370     270.801     350.000       6.904   23 
+    320000       64000.00      36.432      12.717      49.149   6.65 0.214 0.571 0.214 0.372     330.528     350.000       9.951   23 
+    330000       66000.00      32.028       0.578      32.606   4.79 0.214 0.667 0.197 0.748     290.573     350.000       8.893   23 
+    340000       68000.00      42.634       5.366      48.000   4.98 0.214 0.769 0.346 0.431     386.800     350.000       7.105   23 
+    350000       70000.00      37.872       3.573      41.445   5.90 0.000 1.000 0.455 0.476     343.598     350.000       8.440   23 
+    360000       72000.00      31.694       3.637      35.331   6.48 0.071 0.875 0.312 0.946     287.548     350.000       7.579   23 
+    370000       74000.00      30.402       6.175      36.577   8.65 0.000 1.000 0.152 0.851     275.825     350.000      11.667   23 
+    380000       76000.00      34.323      -9.246      25.077   5.76 0.000 1.000 0.379 0.183     311.394     350.000       7.675   23 
+    390000       78000.00      29.781       6.651      36.432   8.09 0.071 0.000 0.227 0.622     270.189     350.000      11.446   23 
+    400000       80000.00      36.691       5.107      41.798   5.19 0.071 0.667 0.152 0.632     332.882     350.000       9.623   23 
+    410000       82000.00      33.754      -7.109      26.645   4.09 0.071 0.833 0.235 0.310     306.231     340.000       7.820   23 
+    420000       84000.00      38.764      -2.511      36.253   4.44 0.071 0.875 0.284 0.606     351.684     340.000       7.789   23 
+    430000       86000.00      34.417       5.012      39.429   4.93 0.286 0.500 0.170 0.411     312.247     340.000       8.571   23 
+    440000       88000.00      34.891       0.861      35.752   6.91 0.214 0.000 0.136 0.580     316.547     340.000      11.400   23 
+    450000       90000.00      35.069       1.938      37.007   4.30 0.000 1.000 0.220 0.760     318.165     340.000       7.614   23 
+    460000       92000.00      26.963      -1.724      25.239   4.17 0.143 0.500 0.182 0.412     244.621     340.000       8.676   23 
+    470000       94000.00      32.878       2.791      35.669   6.66 0.000 1.000 0.250 0.763     298.282     340.000       7.965   23 
+    480000       96000.00      24.779       1.823      26.602   5.17 0.214 0.400 0.273 0.390     224.810     340.000       8.575   23 
+    490000       98000.00      34.996      -7.983      27.013   3.69 0.429 0.250 0.170 0.429     317.502     340.000       8.353   23 
+    500000      100000.00      41.304      -1.595      39.709   4.58 0.071 0.800 0.355 1.089     374.728     340.000       7.732   23 
+    510000      102000.00      32.469      -7.915      24.554   3.22 0.000 1.000 0.227 0.489     294.576     330.000       7.353   23 
+    520000      104000.00      29.132     -18.580      10.552   4.35 0.286 0.667 0.318 1.461     264.300     330.000       6.984   23 
+    530000      106000.00      30.707     -11.685      19.022   4.45 0.214 0.750 0.379 0.673     278.594     330.000       6.721   23 
+    540000      108000.00      36.168       6.382      42.551   6.37 0.071 0.875 0.335 0.850     328.137     330.000       8.640   23 
+    550000      110000.00      35.748      -4.394      31.355   6.26 0.357 0.444 0.227 0.693     324.328     330.000       8.932   23 
+    560000      112000.00      29.577     -12.503      17.074   4.44 0.357 0.615 0.203 0.336     268.342     330.000       7.189   23 
+    570000      114000.00      30.062      -5.126      24.935   3.71 0.143 0.800 0.327 0.593     272.735     330.000       6.390   23 
+    580000      116000.00      31.695      10.396      42.091   6.09 0.071 0.667 0.152 1.021     287.554     330.000       9.112   23 
+    590000      118000.00      36.056      -6.736      29.320   4.30 0.286 0.636 0.223 0.462     327.122     330.000       7.197   23 
+    600000      120000.00      31.579     -11.052      20.528   6.23 0.143 0.778 0.202 0.230     286.501     330.000       8.586   23 
+    610000      122000.00      33.916     -10.806      23.109   6.96 0.214 0.571 0.169 0.546     307.701     320.000       8.821   23 
+    620000      124000.00      37.730      -9.985      27.745   3.59 0.143 0.778 0.242 0.394     342.307     320.000       7.259   23 
+    630000      126000.00      36.872      -7.440      29.432   4.95 0.214 0.500 0.167 0.306     334.523     320.000       8.546   23 
+    640000      128000.00      37.120      -9.899      27.221   4.85 0.071 0.889 0.217 0.422     336.771     320.000       7.353   23 
+    650000      130000.00      35.869     -13.577      22.292   4.01 0.214 0.571 0.221 0.583     325.423     320.000       7.804   23 
+    660000      132000.00      32.691     -12.265      20.426   3.78 0.143 0.600 0.273 0.587     296.591     320.000       7.789   23 
+    670000      134000.00      38.081     -12.584      25.497   4.42 0.143 0.778 0.313 0.745     345.492     320.000       6.363   23 
+    680000      136000.00      36.756      -5.338      31.418   2.83 0.286 0.556 0.318 0.613     333.466     320.000       7.316   23 
+    690000      138000.00      35.594     -14.163      21.432   4.74 0.071 0.923 0.392 0.794     322.932     320.000       6.840   23 
+    700000      140000.00      29.641      -5.140      24.501   6.05 0.143 0.818 0.264 0.652     268.918     320.000       7.888   23 
+    710000      142000.00      34.163     -12.051      22.113   2.92 0.286 0.600 0.341 0.251     309.945     310.000       7.070   23 
+    720000      144000.00      27.020     -14.630      12.391   5.68 0.214 0.800 0.279 0.331     245.142     310.000       7.051   23 
+    730000      146000.00      34.520      -3.061      31.459   5.87 0.143 0.667 0.280 1.220     313.180     310.000       8.535   23 
+    740000      148000.00      34.756      -7.851      26.905   4.42 0.143 0.667 0.356 0.438     315.324     310.000       8.366   23 
+    750000      150000.00      29.592     -21.127       8.465   5.70 0.214 0.700 0.177 0.586     268.472     310.000       8.569   23 
+    760000      152000.00      27.121     -14.565      12.556   3.19 0.143 0.750 0.318 0.273     246.053     310.000       6.843   23 
+    770000      154000.00      28.866     -11.180      17.685   6.75 0.071 0.857 0.221 0.187     261.883     310.000       8.499   23 
+    780000      156000.00      25.417     -28.455      -3.037   6.01 0.143 0.846 0.255 0.815     230.598     310.000       7.103   23 
+    790000      158000.00      31.863     -13.830      18.033   3.24 0.214 0.700 0.259 0.655     289.081     310.000       7.625   23 
+    800000      160000.00      37.001     -17.673      19.328   4.48 0.214 0.750 0.280 0.598     335.690     310.000       6.812   23 
+    810000      162000.00      31.962     -26.815       5.146   3.29 0.214 0.769 0.371 0.742     289.973     310.000       7.273   23 
+    820000      164000.00      34.470     -23.921      10.549   3.44 0.357 0.500 0.168 1.128     312.729     310.000       7.220   23 
+    830000      166000.00      33.320     -24.975       8.345   3.45 0.357 0.688 0.381 0.745     302.293     310.000       6.713   23 
+    840000      168000.00      26.368     -21.557       4.811   3.65 0.214 0.750 0.345 0.585     239.228     310.000       7.519   23 
+    850000      170000.00      30.214     -22.196       8.018   2.57 0.286 0.667 0.326 0.435     274.117     310.000       6.818   23 
+    860000      172000.00      22.395     -15.972       6.423   2.73 0.429 0.455 0.215 0.623     203.183     310.000       7.180   23 
+    870000      174000.00      33.463     -16.820      16.643   3.19 0.071 0.889 0.293 0.352     303.593     310.000       7.013   23 
+    880000      176000.00      42.157     -27.785      14.371   3.38 0.143 0.800 0.305 0.926     382.468     310.000       6.792   23 
+    890000      178000.00      34.416     -25.360       9.056   6.06 0.143 0.875 0.250 0.357     312.241     310.000       7.014   23 
+    900000      180000.00      29.993      -7.928      22.066   3.13 0.214 0.700 0.218 0.349     272.115     310.000       7.296   23 
+    910000      182000.00      30.631      -9.364      21.267   6.63 0.286 0.500 0.188 1.026     277.901     310.000       8.907   23 
+    920000      184000.00      30.909     -26.476       4.434   2.73 0.214 0.667 0.212 0.949     280.425     310.000       6.675   23 
+    930000      186000.00      32.947     -24.592       8.355   3.04 0.286 0.667 0.250 0.310     298.916     310.000       6.771   23 
+    940000      188000.00      27.691     -14.520      13.172   3.41 0.286 0.556 0.217 1.117     251.232     310.000       7.380   23 
+    950000      190000.00      28.556     -13.418      15.139   4.26 0.071 0.875 0.290 0.556     259.076     310.000       7.189   23 
+    960000      192000.00      36.345     -16.417      19.928   4.28 0.143 0.818 0.293 0.439     329.741     310.000       6.443   23 
+    970000      194000.00      24.468     -19.848       4.620   5.18 0.286 0.750 0.293 0.749     221.987     310.000       6.430   23 
+    980000      196000.00      28.332     -15.866      12.466   4.02 0.286 0.500 0.170 0.435     257.042     310.000       8.412   23 
+    990000      198000.00      27.169     -10.491      16.679   4.00 0.143 0.667 0.311 0.390     246.495     310.000       6.815   23 
+   1000000      200000.00      30.776     -29.340       1.436   2.96 0.214 0.750 0.326 0.197     279.217     310.000       6.572   23 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB024.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB024.stat
index 611bc8f..9492840 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB024.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB024.stat
@@ -1,101 +1,101 @@
-         0           0.00      35.264     114.718     149.983  12.87 0.000   NaN   NaN 4.850     319.935     310.000      15.552   24 
-     10000        2000.00      31.838     -18.939      12.899   4.71 0.000 1.000 0.256 0.846     288.851     310.000       7.144   24 
-     20000        4000.00      33.291     -22.332      10.959   3.42 0.286 0.600 0.327 1.386     302.030     310.000       6.984   24 
-     30000        6000.00      31.606     -23.931       7.675   4.43 0.214 0.769 0.339 0.451     286.747     310.000       6.732   24 
-     40000        8000.00      36.273     -18.756      17.517   2.88 0.357 0.545 0.202 0.289     329.089     310.000       7.085   24 
-     50000       10000.00      32.876     -25.172       7.704   6.52 0.286 0.600 0.177 0.101     298.268     310.000       8.096   24 
-     60000       12000.00      34.139     -12.661      21.478   5.62 0.214 0.667 0.152 0.757     309.730     310.000       9.426   24 
-     70000       14000.00      26.416     -12.100      14.316   3.58 0.143 0.600 0.236 0.923     239.657     310.000       7.930   24 
-     80000       16000.00      34.742     -14.459      20.283   7.09 0.286 0.600 0.159 0.948     315.195     310.000       9.607   24 
-     90000       18000.00      23.951     -16.566       7.385   5.96 0.286 0.556 0.177 0.591     217.300     310.000       8.188   24 
-    100000       20000.00      29.887     -27.048       2.839   5.61 0.143 0.857 0.295 0.758     271.155     310.000       6.298   24 
-    110000       22000.00      29.983     -25.793       4.190   5.98 0.143 0.846 0.308 0.783     272.021     300.000       7.273   24 
-    120000       24000.00      29.328     -31.112      -1.784   2.88 0.214 0.812 0.318 1.183     266.077     300.000       6.787   24 
-    130000       26000.00      30.184     -26.103       4.081   4.02 0.214 0.625 0.188 0.592     273.844     300.000       7.903   24 
-    140000       28000.00      27.842     -30.347      -2.505   3.31 0.214 0.727 0.326 0.444     252.598     300.000       6.871   24 
-    150000       30000.00      38.532     -30.904       7.628   3.37 0.214 0.800 0.330 0.225     349.586     300.000       6.293   24 
-    160000       32000.00      29.871     -24.752       5.118   3.07 0.214 0.750 0.258 0.664     271.003     300.000       7.209   24 
-    170000       34000.00      40.469     -23.548      16.921   2.71 0.143 0.750 0.273 0.416     367.158     300.000       6.960   24 
-    180000       36000.00      32.463     -12.478      19.984   3.87 0.214 0.727 0.194 0.928     294.518     300.000       7.947   24 
-    190000       38000.00      23.213     -30.756      -7.543   2.43 0.357 0.583 0.212 0.291     210.599     300.000       7.019   24 
-    200000       40000.00      28.754     -20.822       7.932   2.89 0.143 0.667 0.258 0.313     260.872     300.000       7.191   24 
-    210000       42000.00      32.031     -34.815      -2.785   3.17 0.286 0.765 0.340 0.374     290.600     290.000       6.700   24 
-    220000       44000.00      27.389     -32.373      -4.984   3.55 0.429 0.500 0.367 0.874     248.486     290.000       6.449   24 
-    230000       46000.00      27.152     -30.192      -3.040   4.04 0.143 0.882 0.401 0.352     246.336     290.000       6.125   24 
-    240000       48000.00      33.336     -31.804       1.532   4.05 0.286 0.556 0.263 0.602     302.439     290.000       7.181   24 
-    250000       50000.00      41.205     -27.456      13.749   4.14 0.357 0.615 0.171 1.169     373.832     290.000       7.434   24 
-    260000       52000.00      29.086     -29.102      -0.016   3.78 0.429 0.538 0.290 0.176     263.884     290.000       6.742   24 
-    270000       54000.00      26.466     -21.198       5.268   4.52 0.357 0.444 0.288 0.677     240.111     290.000       6.952   24 
-    280000       56000.00      30.903     -21.726       9.177   3.44 0.357 0.545 0.240 0.213     280.370     290.000       7.277   24 
-    290000       58000.00      32.239     -27.324       4.915   3.13 0.429 0.538 0.231 0.531     292.488     290.000       7.270   24 
-    300000       60000.00      31.425     -23.829       7.596   4.19 0.143 0.750 0.210 0.689     285.103     290.000       7.209   24 
-    310000       62000.00      32.828     -29.810       3.018   3.39 0.286 0.733 0.294 0.626     297.832     300.000       6.614   24 
-    320000       64000.00      25.237     -30.127      -4.890   3.77 0.214 0.727 0.310 0.464     228.964     300.000       6.762   24 
-    330000       66000.00      23.266     -29.558      -6.292   2.75 0.286 0.733 0.206 0.630     211.083     300.000       7.239   24 
-    340000       68000.00      29.234     -13.368      15.865   4.35 0.071 0.909 0.240 1.033     265.222     300.000       7.727   24 
-    350000       70000.00      32.309     -23.919       8.390   3.38 0.286 0.733 0.315 0.665     293.124     300.000       6.508   24 
-    360000       72000.00      29.610     -21.128       8.482   2.76 0.214 0.786 0.292 0.429     268.637     300.000       6.968   24 
-    370000       74000.00      34.505     -18.835      15.670   3.83 0.143 0.800 0.232 0.308     313.047     300.000       7.127   24 
-    380000       76000.00      36.104     -16.703      19.401   3.15 0.143 0.778 0.293 0.284     327.553     300.000       7.064   24 
-    390000       78000.00      28.320     -27.696       0.624   3.62 0.071 0.923 0.266 0.744     256.934     300.000       6.634   24 
-    400000       80000.00      33.552     -34.663      -1.111   2.65 0.357 0.545 0.285 0.495     304.402     300.000       6.534   24 
-    410000       82000.00      31.127      -5.449      25.678   5.27 0.143 0.778 0.253 0.217     282.397     300.000       8.012   24 
-    420000       84000.00      26.574     -30.153      -3.579   2.91 0.214 0.727 0.393 0.969     241.095     300.000       6.703   24 
-    430000       86000.00      28.229     -14.708      13.521   7.96 0.286 0.429 0.156 0.547     256.106     300.000       9.183   24 
-    440000       88000.00      28.994     -30.080      -1.086   4.18 0.429 0.647 0.283 0.295     263.048     300.000       6.881   24 
-    450000       90000.00      34.289     -12.734      21.555   5.46 0.214 0.727 0.211 0.354     311.084     300.000       8.405   24 
-    460000       92000.00      30.459     -28.100       2.360   6.58 0.143 0.833 0.322 0.351     276.344     300.000       7.790   24 
-    470000       94000.00      26.720     -22.629       4.091   4.29 0.143 0.714 0.175 0.213     242.415     300.000       7.703   24 
-    480000       96000.00      32.864     -31.427       1.436   2.65 0.214 0.786 0.351 0.631     298.156     300.000       6.685   24 
-    490000       98000.00      27.146     -20.717       6.429   2.96 0.286 0.692 0.311 0.524     246.279     300.000       6.462   24 
-    500000      100000.00      30.677     -32.530      -1.853   3.60 0.214 0.750 0.280 0.327     278.314     300.000       6.936   24 
-    510000      102000.00      30.829     -34.963      -4.134   2.70 0.286 0.714 0.360 0.854     279.701     290.000       6.699   24 
-    520000      104000.00      34.755     -41.016      -6.261   2.91 0.286 0.765 0.273 0.289     315.311     290.000       6.534   24 
-    530000      106000.00      31.757     -20.280      11.476   3.03 0.214 0.700 0.341 0.412     288.114     290.000       6.892   24 
-    540000      108000.00      34.400     -33.565       0.835   3.30 0.357 0.667 0.373 0.364     312.093     290.000       6.633   24 
-    550000      110000.00      28.597     -32.243      -3.647   2.35 0.286 0.714 0.247 0.443     259.445     290.000       6.675   24 
-    560000      112000.00      35.050     -34.599       0.451   2.78 0.286 0.714 0.302 0.520     317.989     290.000       6.487   24 
-    570000      114000.00      26.910     -32.244      -5.334   2.33 0.286 0.692 0.311 0.442     244.141     290.000       6.637   24 
-    580000      116000.00      31.202     -22.286       8.916   2.46 0.214 0.700 0.200 0.485     283.084     290.000       7.300   24 
-    590000      118000.00      19.519     -23.702      -4.183   4.66 0.214 0.750 0.216 0.235     177.084     290.000       7.661   24 
-    600000      120000.00      24.265     -23.335       0.929   4.09 0.143 0.667 0.197 0.826     220.141     290.000       7.001   24 
-    610000      122000.00      36.471     -33.065       3.406   3.65 0.357 0.667 0.300 1.045     330.885     290.000       6.668   24 
-    620000      124000.00      20.778     -34.103     -13.325   3.28 0.357 0.722 0.255 0.484     188.505     290.000       6.367   24 
-    630000      126000.00      32.046     -25.582       6.464   2.78 0.357 0.545 0.215 0.935     290.739     290.000       7.230   24 
-    640000      128000.00      23.646     -30.948      -7.302   4.02 0.214 0.769 0.357 0.414     214.529     290.000       6.568   24 
-    650000      130000.00      26.985     -31.611      -4.626   2.90 0.357 0.643 0.273 0.186     244.820     290.000       6.870   24 
-    660000      132000.00      33.935     -33.929       0.006   3.12 0.357 0.545 0.240 0.298     307.876     290.000       7.304   24 
-    670000      134000.00      31.947     -30.077       1.870   2.62 0.357 0.583 0.235 0.658     289.842     290.000       7.069   24 
-    680000      136000.00      28.205     -28.798      -0.593   2.47 0.357 0.375 0.250 0.736     255.891     290.000       7.199   24 
-    690000      138000.00      28.622     -23.894       4.727   3.11 0.214 0.750 0.314 0.357     259.672     290.000       7.063   24 
-    700000      140000.00      32.311     -35.915      -3.604   2.65 0.357 0.615 0.283 0.155     293.145     290.000       6.582   24 
-    710000      142000.00      30.813     -27.919       2.894   3.41 0.143 0.818 0.240 0.453     279.550     290.000       7.452   24 
-    720000      144000.00      28.627     -24.584       4.043   3.06 0.143 0.818 0.339 0.265     259.721     290.000       6.481   24 
-    730000      146000.00      23.501     -21.211       2.290   3.83 0.286 0.733 0.279 0.605     213.211     290.000       6.811   24 
-    740000      148000.00      25.146     -30.738      -5.592   3.41 0.286 0.765 0.361 0.783     228.138     290.000       6.389   24 
-    750000      150000.00      34.272     -19.901      14.372   3.79 0.214 0.667 0.242 0.792     310.937     290.000       6.953   24 
-    760000      152000.00      33.318     -23.261      10.058   5.81 0.071 0.833 0.250 0.562     302.281     290.000       7.994   24 
-    770000      154000.00      26.499     -30.869      -4.370   5.79 0.071 0.917 0.239 0.161     240.413     290.000       7.463   24 
-    780000      156000.00      22.734     -24.484      -1.750   6.54 0.143 0.750 0.216 0.424     206.254     290.000       7.897   24 
-    790000      158000.00      32.095     -31.046       1.049   6.27 0.143 0.778 0.247 0.299     291.179     290.000       7.767   24 
-    800000      160000.00      28.191     -28.179       0.012   5.90 0.143 0.778 0.187 0.368     255.759     290.000       7.843   24 
-    810000      162000.00      24.870     -31.826      -6.956   2.71 0.429 0.625 0.338 0.429     225.637     280.000       6.615   24 
-    820000      164000.00      33.103     -31.855       1.248   2.53 0.214 0.700 0.227 0.676     300.328     280.000       7.034   24 
-    830000      166000.00      32.364     -37.360      -4.996   2.84 0.286 0.667 0.258 0.570     293.627     280.000       6.990   24 
-    840000      168000.00      28.531     -34.279      -5.748   3.74 0.143 0.800 0.218 0.547     258.849     280.000       6.594   24 
-    850000      170000.00      23.529     -29.493      -5.964   2.59 0.429 0.500 0.235 0.184     213.465     280.000       7.183   24 
-    860000      172000.00      31.268     -46.159     -14.891   2.74 0.214 0.750 0.311 0.965     283.682     280.000       6.451   24 
-    870000      174000.00      26.791     -30.492      -3.701   3.04 0.429 0.647 0.294 0.477     243.059     280.000       6.542   24 
-    880000      176000.00      32.900     -31.318       1.583   3.88 0.500 0.533 0.267 0.741     298.489     280.000       6.799   24 
-    890000      178000.00      32.502     -37.835      -5.333   3.19 0.286 0.636 0.219 0.293     294.871     280.000       6.997   24 
-    900000      180000.00      25.232     -31.995      -6.764   4.15 0.143 0.750 0.193 0.442     228.915     280.000       7.640   24 
-    910000      182000.00      26.640     -32.362      -5.722   7.01 0.214 0.667 0.177 0.462     241.692     280.000       9.352   24 
-    920000      184000.00      28.812     -34.922      -6.110   2.43 0.357 0.500 0.177 0.411     261.397     280.000       6.960   24 
-    930000      186000.00      28.080     -44.903     -16.824   2.44 0.429 0.455 0.264 0.406     254.752     280.000       6.777   24 
-    940000      188000.00      30.741     -33.675      -2.934   3.75 0.286 0.765 0.294 0.878     278.899     280.000       6.442   24 
-    950000      190000.00      28.192     -31.488      -3.295   5.60 0.214 0.750 0.258 0.878     255.776     280.000       7.322   24 
-    960000      192000.00      31.883     -37.451      -5.568   5.78 0.214 0.800 0.276 0.903     289.258     280.000       6.804   24 
-    970000      194000.00      30.273     -37.709      -7.436   5.42 0.143 0.882 0.310 0.456     274.652     280.000       5.948   24 
-    980000      196000.00      31.038     -41.861     -10.823   5.51 0.286 0.765 0.251 0.415     281.594     280.000       6.587   24 
-    990000      198000.00      29.225     -38.696      -9.471   5.93 0.071 0.900 0.273 0.554     265.144     280.000       7.040   24 
-   1000000      200000.00      24.186     -30.801      -6.615   5.74 0.143 0.867 0.303 0.477     219.429     280.000       7.063   24 
+         0           0.00      42.090     112.930     155.019  12.87 0.000   NaN   NaN 4.850     381.858     370.000      15.552   24 
+     10000        2000.00      38.193       3.730      41.923   5.74 0.000 1.000 0.273 0.537     346.503     370.000       7.874   24 
+     20000        4000.00      38.652      12.298      50.950   6.83 0.143 0.500 0.170 0.275     350.671     370.000      10.499   24 
+     30000        6000.00      39.175       9.066      48.241   8.15 0.071 0.000 0.136 0.343     355.417     370.000      11.631   24 
+     40000        8000.00      44.934       1.052      45.986   8.13 0.143 0.333 0.152 0.359     407.667     370.000      11.703   24 
+     50000       10000.00      37.297       4.270      41.567   3.07 0.286 0.500 0.176 0.529     338.377     370.000       7.864   24 
+     60000       12000.00      42.591       1.888      44.479   7.50 0.000 1.000 0.352 0.730     386.407     370.000       7.855   24 
+     70000       14000.00      36.514      -3.358      33.156   6.28 0.286 0.556 0.470 0.392     331.273     370.000       6.953   24 
+     80000       16000.00      44.968       1.860      46.829   4.44 0.214 0.700 0.295 0.288     407.977     370.000       7.731   24 
+     90000       18000.00      27.441      18.639      46.080   5.55 0.000   NaN   NaN 0.305     248.960     370.000       9.138   24 
+    100000       20000.00      38.036       0.259      38.295   7.87 0.214 0.667 0.283 0.202     345.083     370.000       8.131   24 
+    110000       22000.00      39.010       0.121      39.131   5.22 0.071 0.800 0.218 0.297     353.918     370.000       9.392   24 
+    120000       24000.00      37.232      -1.260      35.973   5.65 0.143 0.667 0.136 0.229     337.791     370.000       9.337   24 
+    130000       26000.00      38.735      11.139      49.874   5.55 0.000 1.000 0.182 0.929     351.425     370.000       8.879   24 
+    140000       28000.00      33.771      15.357      49.127   8.35 0.000 1.000 0.205 0.731     306.384     370.000      12.463   24 
+    150000       30000.00      43.939       5.463      49.401   8.45 0.071 0.667 0.197 0.142     398.635     370.000       9.293   24 
+    160000       32000.00      35.858       8.153      44.011   9.16 0.000 1.000 0.159 1.043     325.318     370.000      12.122   24 
+    170000       34000.00      51.711      -4.657      47.054   6.05 0.143 0.667 0.280 0.706     469.145     370.000       7.130   24 
+    180000       36000.00      44.342       4.098      48.441   4.23 0.071 0.857 0.617 1.134     402.295     370.000       7.790   24 
+    190000       38000.00      30.366      16.587      46.953   6.05 0.000 1.000 0.136 1.100     275.496     370.000       9.885   24 
+    200000       40000.00      38.316       3.303      41.618   5.15 0.071 0.667 0.197 0.620     347.620     370.000       9.027   24 
+    210000       42000.00      41.493      10.589      52.082   7.93 0.071 0.500 0.182 0.454     376.445     400.000      10.061   24 
+    220000       44000.00      37.696      11.835      49.531   6.24 0.000 1.000 0.477 0.641     342.001     400.000       7.932   24 
+    230000       46000.00      36.265      13.428      49.693   6.86 0.143 0.600 0.173 0.591     329.011     400.000      10.651   24 
+    240000       48000.00      45.837      18.723      64.560   5.03 0.000 1.000 0.591 0.518     415.859     400.000       8.489   24 
+    250000       50000.00      56.612      12.514      69.126   6.11 0.214 0.250 0.182 0.842     513.616     400.000       9.528   24 
+    260000       52000.00      33.470       5.788      39.257   6.51 0.000 1.000 0.398 0.364     303.656     400.000       9.373   24 
+    270000       54000.00      38.861      13.303      52.164   6.59 0.071 0.750 0.250 0.538     352.566     400.000       9.080   24 
+    280000       56000.00      46.208       3.336      49.544   6.13 0.143 0.714 0.299 0.352     419.221     400.000       9.156   24 
+    290000       58000.00      34.625       3.197      37.822   6.42 0.000 1.000 0.252 0.781     314.133     400.000       8.459   24 
+    300000       60000.00      39.630      17.245      56.875   7.83 0.071 0.667 0.152 0.463     359.542     400.000      10.801   24 
+    310000       62000.00      44.813       6.832      51.645   5.71 0.000 1.000 0.455 0.657     406.563     390.000       7.428   24 
+    320000       64000.00      36.603       9.761      46.364   6.54 0.071 0.500 0.159 0.540     332.077     390.000      11.421   24 
+    330000       66000.00      31.399       4.485      35.885   7.00 0.071 0.667 0.197 0.844     284.871     390.000      10.730   24 
+    340000       68000.00      38.149      19.147      57.296  13.28 0.000   NaN   NaN 0.240     346.109     390.000      16.803   24 
+    350000       70000.00      44.561      10.519      55.080   8.77 0.143 0.000 0.159 0.697     404.280     390.000      11.975   24 
+    360000       72000.00      39.873       6.035      45.908   5.35 0.000 1.000 0.182 0.685     361.750     390.000       9.827   24 
+    370000       74000.00      41.318      17.567      58.884   7.95 0.071 0.667 0.242 0.735     374.857     390.000       9.641   24 
+    380000       76000.00      51.520      11.632      63.152   6.17 0.286 0.333 0.159 0.351     467.420     390.000      10.519   24 
+    390000       78000.00      38.672      12.291      50.963   5.18 0.071 0.750 0.261 0.519     350.850     390.000       8.549   24 
+    400000       80000.00      37.926      17.095      55.020   8.17 0.000   NaN   NaN 0.552     344.080     390.000      12.783   24 
+    410000       82000.00      42.237      18.582      60.819   5.83 0.071 0.500 0.250 0.755     383.196     390.000       9.055   24 
+    420000       84000.00      35.007       7.565      42.572  10.23 0.071 0.800 0.164 0.769     317.601     390.000      12.984   24 
+    430000       86000.00      39.184      -1.239      37.944   6.66 0.071 0.833 0.280 0.628     355.493     390.000       8.907   24 
+    440000       88000.00      40.199      15.031      55.230   7.72 0.000   NaN   NaN 0.234     364.705     390.000      11.792   24 
+    450000       90000.00      43.746      12.708      56.454   5.94 0.071 0.800 0.200 0.518     396.888     390.000       9.466   24 
+    460000       92000.00      41.246       5.175      46.421   6.79 0.000 1.000 0.341 0.513     374.204     390.000       8.625   24 
+    470000       94000.00      31.135      21.879      53.014   6.95 0.071 0.667 0.258 0.506     282.474     390.000      10.249   24 
+    480000       96000.00      43.589      11.639      55.227   8.06 0.000 1.000 0.136 0.931     395.458     390.000      12.131   24 
+    490000       98000.00      35.970      13.582      49.552   5.32 0.000   NaN   NaN 1.068     326.335     390.000       9.809   24 
+    500000      100000.00      38.690       1.839      40.529   5.09 0.143 0.667 0.462 0.562     351.016     390.000       8.142   24 
+    510000      102000.00      44.770      15.354      60.124   6.66 0.071 0.000 0.136 0.664     406.173     390.000      11.061   24 
+    520000      104000.00      48.265      14.237      62.502   4.32 0.143 0.600 0.255 0.844     437.886     390.000       7.619   24 
+    530000      106000.00      38.835      19.914      58.749   6.64 0.000 1.000 0.258 0.944     352.329     390.000       8.901   24 
+    540000      108000.00      49.566      10.773      60.339   8.75 0.214 0.000 0.182 0.371     449.685     390.000      12.072   24 
+    550000      110000.00      37.404       8.437      45.841   6.29 0.143 0.333 0.167 0.577     339.346     390.000      10.350   24 
+    560000      112000.00      44.765      18.213      62.978   8.76 0.000 1.000 0.136 0.226     406.127     390.000      11.462   24 
+    570000      114000.00      33.175      12.105      45.280   9.10 0.071 0.000 0.136 0.994     300.977     390.000      11.574   24 
+    580000      116000.00      39.474      -2.833      36.641   4.55 0.143 0.667 0.273 0.164     358.133     390.000       7.970   24 
+    590000      118000.00      27.918       8.613      36.532   5.73 0.000 1.000 0.136 0.479     253.291     390.000       8.146   24 
+    600000      120000.00      31.452      16.490      47.941   6.17 0.000   NaN   NaN 0.433     285.348     390.000      10.805   24 
+    610000      122000.00      45.747       4.302      50.049   7.13 0.071 0.833 0.273 0.841     415.041     380.000       7.776   24 
+    620000      124000.00      28.004      -6.436      21.568   5.22 0.071 0.875 0.415 0.442     254.067     380.000       7.323   24 
+    630000      126000.00      41.545       7.572      49.116   6.77 0.071 0.857 0.435 0.220     376.914     380.000       8.824   24 
+    640000      128000.00      30.852      14.981      45.833   6.16 0.214 0.250 0.148 0.579     279.906     380.000       8.474   24 
+    650000      130000.00      39.786       4.897      44.683   4.79 0.000 1.000 0.227 0.757     360.960     380.000       8.206   24 
+    660000      132000.00      41.159       7.562      48.721   7.64 0.000 1.000 0.182 0.534     373.411     380.000      10.906   24 
+    670000      134000.00      43.779      14.740      58.519   5.61 0.071 0.750 0.216 0.504     397.185     380.000       9.257   24 
+    680000      136000.00      39.472       1.053      40.525   5.27 0.071 0.750 0.318 0.852     358.114     380.000       9.298   24 
+    690000      138000.00      38.363       8.849      47.212   5.52 0.143 0.500 0.409 0.920     348.045     380.000       7.905   24 
+    700000      140000.00      39.719       0.053      39.773   5.93 0.071 0.750 0.352 0.327     360.354     380.000       7.592   24 
+    710000      142000.00      39.612       9.221      48.833   5.48 0.214 0.250 0.182 0.564     359.377     370.000       9.203   24 
+    720000      144000.00      35.220       7.907      43.128   5.04 0.000 1.000 0.273 0.379     319.538     370.000       7.824   24 
+    730000      146000.00      32.817       9.645      42.462   4.26 0.071 0.800 0.345 0.661     297.729     370.000       7.838   24 
+    740000      148000.00      34.529       5.107      39.636   7.41 0.071 0.000 0.136 0.392     313.269     370.000       9.447   24 
+    750000      150000.00      44.860       5.940      50.799   4.03 0.286 0.667 0.303 0.891     406.989     370.000       6.647   24 
+    760000      152000.00      38.549      10.227      48.776   7.43 0.071 0.800 0.273 0.528     349.736     370.000       8.311   24 
+    770000      154000.00      35.974       5.878      41.851   9.33 0.143 0.600 0.191 0.472     326.370     370.000      11.466   24 
+    780000      156000.00      35.583      11.134      46.717   5.71 0.071 0.750 0.182 0.300     322.832     370.000       9.323   24 
+    790000      158000.00      42.568       9.114      51.681   7.48 0.071 0.000 0.136 0.385     386.195     370.000      11.460   24 
+    800000      160000.00      39.439       6.550      45.989   6.23 0.071 0.667 0.212 0.524     357.808     370.000       8.817   24 
+    810000      162000.00      35.876      15.839      51.715   8.04 0.143 0.000 0.159 0.588     325.488     360.000      11.140   24 
+    820000      164000.00      39.806       8.616      48.422   6.43 0.071 0.800 0.364 1.018     361.140     360.000       8.465   24 
+    830000      166000.00      45.628       8.343      53.971   8.20 0.000 1.000 0.136 0.641     413.963     360.000      11.859   24 
+    840000      168000.00      39.457       2.810      42.267   7.83 0.071 0.800 0.200 0.371     357.973     360.000       9.221   24 
+    850000      170000.00      28.790       8.516      37.306   7.22 0.071 0.667 0.242 0.353     261.202     360.000       9.925   24 
+    860000      172000.00      44.379      -7.169      37.209   4.95 0.214 0.571 0.318 0.674     402.627     360.000       7.402   24 
+    870000      174000.00      36.886       6.412      43.298   6.52 0.143 0.667 0.189 0.838     334.648     360.000      10.341   24 
+    880000      176000.00      42.813       4.276      47.089   5.51 0.071 0.889 0.263 0.693     388.423     360.000       8.145   24 
+    890000      178000.00      39.801       9.729      49.530   5.60 0.071 0.800 0.518 0.814     361.094     360.000       8.455   24 
+    900000      180000.00      31.937       9.710      41.648   6.68 0.071 0.667 0.197 0.278     289.753     360.000      10.164   24 
+    910000      182000.00      32.202       5.481      37.682   8.13 0.000 1.000 0.273 0.485     292.150     350.000      11.463   24 
+    920000      184000.00      36.338       4.202      40.540   7.98 0.071 0.750 0.239 0.508     329.676     350.000       9.178   24 
+    930000      186000.00      36.882       3.008      39.889   4.61 0.143 0.750 0.415 0.541     334.609     350.000       7.783   24 
+    940000      188000.00      38.242       6.153      44.394   6.41 0.071 0.667 0.273 0.251     346.947     350.000       9.091   24 
+    950000      190000.00      36.096      -2.885      33.211   6.28 0.071 0.500 0.205 0.393     327.482     350.000       8.498   24 
+    960000      192000.00      40.342      -0.397      39.944   4.31 0.143 0.600 0.291 0.720     366.001     350.000       7.871   24 
+    970000      194000.00      37.999      -7.250      30.749   6.79 0.071 0.909 0.298 0.172     344.746     350.000       7.279   24 
+    980000      196000.00      40.345      -1.219      39.125   5.00 0.214 0.500 0.174 0.512     366.028     350.000       9.307   24 
+    990000      198000.00      37.406      14.542      51.948   9.43 0.000 1.000 0.136 0.312     339.363     350.000      12.325   24 
+   1000000      200000.00      30.844       9.114      39.958   4.78 0.143 0.750 0.284 0.491     279.832     350.000       7.588   24 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB025.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB025.stat
index cc476c7..8a54e1d 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB025.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB025.stat
@@ -1,101 +1,101 @@
-         0           0.00      29.635     114.718     144.354  12.87 0.000   NaN   NaN 4.850     268.867     310.000      15.552   25 
-     10000        2000.00      29.522     -15.108      14.414   4.80 0.143 0.778 0.303 0.450     267.838     310.000       7.380   25 
-     20000        4000.00      40.130     -19.582      20.548   4.85 0.286 0.765 0.401 0.596     364.077     310.000       6.812   25 
-     30000        6000.00      30.004     -18.880      11.124   4.09 0.286 0.500 0.347 0.188     272.215     310.000       7.627   25 
-     40000        8000.00      28.903     -17.892      11.011   5.08 0.286 0.636 0.248 0.435     262.221     310.000       8.422   25 
-     50000       10000.00      27.383     -36.316      -8.933   3.01 0.357 0.667 0.300 0.379     248.434     310.000       6.618   25 
-     60000       12000.00      27.958      -9.992      17.966   6.15 0.071 0.750 0.216 0.245     253.654     310.000       8.744   25 
-     70000       14000.00      28.117     -18.571       9.545   7.01 0.214 0.400 0.136 0.415     255.089     310.000       8.939   25 
-     80000       16000.00      27.443     -25.828       1.615   4.87 0.286 0.667 0.246 0.566     248.976     310.000       7.347   25 
-     90000       18000.00      30.900     -21.307       9.593   5.26 0.214 0.625 0.222 0.544     280.340     310.000       7.434   25 
-    100000       20000.00      38.131     -19.776      18.355   6.33 0.143 0.750 0.170 0.838     345.942     310.000       8.280   25 
-    110000       22000.00      32.403     -36.653      -4.250   3.09 0.500 0.500 0.276 1.239     293.979     290.000       6.764   25 
-    120000       24000.00      27.035     -31.529      -4.495   3.90 0.286 0.636 0.174 0.407     245.271     290.000       8.031   25 
-    130000       26000.00      24.022     -34.944     -10.922   2.91 0.357 0.615 0.308 0.688     217.944     290.000       6.634   25 
-    140000       28000.00      31.561     -30.352       1.209   4.88 0.357 0.643 0.318 0.162     286.335     290.000       6.477   25 
-    150000       30000.00      26.347     -34.948      -8.602   4.40 0.429 0.625 0.261 0.490     239.032     290.000       6.255   25 
-    160000       32000.00      30.989     -24.032       6.958   3.43 0.214 0.800 0.367 0.581     281.150     290.000       6.891   25 
-    170000       34000.00      27.065     -34.151      -7.087   2.82 0.286 0.667 0.273 0.325     245.543     290.000       7.126   25 
-    180000       36000.00      33.222     -24.726       8.496   5.31 0.143 0.778 0.212 0.525     301.408     290.000       7.701   25 
-    190000       38000.00      34.916     -19.225      15.691   5.20 0.071 0.800 0.218 0.618     316.772     290.000       8.664   25 
-    200000       40000.00      39.991     -24.192      15.799   5.67 0.000 1.000 0.330 0.917     362.820     290.000       6.679   25 
-    210000       42000.00      31.958     -34.321      -2.363   5.45 0.071 0.929 0.273 0.363     289.944     290.000       6.641   25 
-    220000       44000.00      30.668     -30.870      -0.202   5.05 0.214 0.824 0.294 0.676     278.237     290.000       6.381   25 
-    230000       46000.00      32.134     -26.573       5.560   6.48 0.214 0.700 0.214 0.392     291.534     290.000       7.198   25 
-    240000       48000.00      27.575     -29.276      -1.701   6.19 0.143 0.818 0.252 0.486     250.177     290.000       6.209   25 
-    250000       50000.00      36.233     -20.536      15.697   6.74 0.143 0.667 0.174 0.463     328.729     290.000       8.057   25 
-    260000       52000.00      28.296     -26.574       1.722   2.84 0.286 0.429 0.305 0.478     256.717     290.000       7.082   25 
-    270000       54000.00      21.409     -28.517      -7.108   4.28 0.143 0.833 0.299 1.109     194.232     290.000       6.842   25 
-    280000       56000.00      32.565     -22.847       9.719   5.43 0.214 0.571 0.162 0.781     295.451     290.000       8.555   25 
-    290000       58000.00      29.754     -20.444       9.310   3.39 0.214 0.769 0.290 0.295     269.943     290.000       7.295   25 
-    300000       60000.00      30.950     -33.170      -2.220   3.36 0.214 0.750 0.341 0.366     280.795     290.000       6.675   25 
-    310000       62000.00      31.924     -35.992      -4.068   2.79 0.357 0.643 0.276 0.336     289.631     290.000       6.791   25 
-    320000       64000.00      42.437     -26.663      15.774   2.96 0.429 0.455 0.302 0.409     385.010     290.000       6.934   25 
-    330000       66000.00      33.734     -26.205       7.529   3.01 0.357 0.444 0.192 0.300     306.052     290.000       7.561   25 
-    340000       68000.00      24.611     -33.864      -9.254   3.14 0.429 0.571 0.289 1.099     223.282     290.000       6.441   25 
-    350000       70000.00      28.510     -33.256      -4.746   2.66 0.286 0.733 0.294 0.981     258.654     290.000       6.787   25 
-    360000       72000.00      26.436     -31.282      -4.846   2.47 0.429 0.538 0.220 0.423     239.841     290.000       7.062   25 
-    370000       74000.00      32.059     -24.425       7.634   3.63 0.143 0.818 0.368 0.373     290.855     290.000       6.635   25 
-    380000       76000.00      28.146     -26.729       1.417   3.33 0.143 0.818 0.360 0.655     255.356     290.000       6.502   25 
-    390000       78000.00      28.350     -22.996       5.353   3.22 0.214 0.750 0.360 0.361     257.205     290.000       6.889   25 
-    400000       80000.00      28.574     -31.244      -2.670   2.70 0.214 0.812 0.381 0.198     259.234     290.000       7.041   25 
-    410000       82000.00      27.162     -50.739     -23.577   2.73 0.286 0.636 0.264 0.249     246.427     280.000       6.467   25 
-    420000       84000.00      26.548     -37.439     -10.891   4.40 0.214 0.824 0.318 0.984     240.855     280.000       6.310   25 
-    430000       86000.00      27.655     -31.274      -3.619   4.68 0.143 0.750 0.205 0.521     250.897     280.000       7.032   25 
-    440000       88000.00      28.210     -40.749     -12.539   4.26 0.429 0.571 0.250 0.205     255.936     280.000       6.504   25 
-    450000       90000.00      32.029     -31.648       0.381   5.21 0.143 0.818 0.231 0.296     290.582     280.000       6.882   25 
-    460000       92000.00      25.184     -28.157      -2.973   4.40 0.214 0.625 0.267 0.227     228.484     280.000       6.775   25 
-    470000       94000.00      21.935     -26.330      -4.395   5.72 0.071 0.900 0.250 0.223     199.007     280.000       7.399   25 
-    480000       96000.00      30.973     -35.569      -4.596   4.19 0.143 0.857 0.347 0.276     281.006     280.000       6.360   25 
-    490000       98000.00      39.770     -33.611       6.159   4.34 0.286 0.750 0.278 0.861     360.810     280.000       6.417   25 
-    500000      100000.00      19.734     -34.700     -14.965   5.00 0.071 0.900 0.236 0.394     179.039     280.000       7.055   25 
-    510000      102000.00      26.183     -37.779     -11.596   5.27 0.143 0.833 0.311 0.104     237.543     280.000       6.805   25 
-    520000      104000.00      31.748     -43.861     -12.113   6.67 0.143 0.800 0.245 0.700     288.033     280.000       7.883   25 
-    530000      106000.00      28.692     -31.672      -2.980   6.89 0.071 0.889 0.258 1.007     260.308     280.000       7.756   25 
-    540000      108000.00      26.288     -36.292     -10.004   5.70 0.071 0.900 0.255 0.608     238.499     280.000       6.952   25 
-    550000      110000.00      28.763     -33.588      -4.825   5.44 0.071 0.917 0.261 0.805     260.955     280.000       7.402   25 
-    560000      112000.00      30.757     -43.140     -12.383   5.69 0.071 0.929 0.263 0.305     279.045     280.000       7.407   25 
-    570000      114000.00      26.932     -34.806      -7.874   7.68 0.071 0.875 0.273 0.506     244.345     280.000       8.151   25 
-    580000      116000.00      29.489     -42.933     -13.444   5.67 0.143 0.846 0.269 0.900     267.539     280.000       6.821   25 
-    590000      118000.00      26.931     -37.277     -10.346   5.88 0.071 0.923 0.262 0.186     244.333     280.000       7.398   25 
-    600000      120000.00      27.869     -40.085     -12.216   6.45 0.143 0.800 0.227 0.190     252.842     280.000       7.798   25 
-    610000      122000.00      22.612     -39.677     -17.065   6.42 0.071 0.909 0.248 0.620     205.144     270.000       7.593   25 
-    620000      124000.00      29.270     -43.670     -14.400   6.02 0.071 0.909 0.260 0.862     265.551     270.000       7.014   25 
-    630000      126000.00      29.348     -39.879     -10.531   6.82 0.143 0.800 0.227 0.484     266.261     270.000       7.930   25 
-    640000      128000.00      33.204     -37.301      -4.097   5.87 0.143 0.857 0.266 0.812     301.241     270.000       7.023   25 
-    650000      130000.00      20.629     -44.783     -24.154   5.97 0.071 0.929 0.234 0.606     187.158     270.000       7.366   25 
-    660000      132000.00      32.657     -41.442      -8.784   5.67 0.071 0.900 0.232 0.396     296.283     270.000       7.429   25 
-    670000      134000.00      24.965     -45.321     -20.356   6.22 0.071 0.875 0.216 0.674     226.500     270.000       7.634   25 
-    680000      136000.00      26.591     -44.401     -17.810   6.21 0.071 0.917 0.273 0.915     241.251     270.000       7.587   25 
-    690000      138000.00      24.785     -41.058     -16.273   5.35 0.214 0.727 0.281 0.202     224.863     270.000       6.802   25 
-    700000      140000.00      25.566     -40.396     -14.830   6.29 0.071 0.875 0.244 0.319     231.948     270.000       7.793   25 
-    710000      142000.00      25.912     -38.187     -12.275   6.16 0.143 0.833 0.254 0.277     235.088     270.000       7.058   25 
-    720000      144000.00      24.154     -40.706     -16.552   6.48 0.071 0.909 0.240 0.776     219.135     270.000       7.510   25 
-    730000      146000.00      30.612     -38.079      -7.467   6.33 0.071 0.900 0.259 0.145     277.731     270.000       7.416   25 
-    740000      148000.00      24.366     -47.635     -23.269   6.46 0.071 0.900 0.236 0.658     221.065     270.000       7.445   25 
-    750000      150000.00      26.885     -29.506      -2.621   6.38 0.000 1.000 0.260 0.334     243.912     270.000       7.620   25 
-    760000      152000.00      21.258     -34.378     -13.119   7.01 0.143 0.818 0.260 0.529     192.867     270.000       7.782   25 
-    770000      154000.00      25.050     -43.228     -18.177   5.82 0.071 0.909 0.252 0.582     227.269     270.000       7.602   25 
-    780000      156000.00      23.455     -43.532     -20.077   5.51 0.000 1.000 0.282 0.235     212.800     270.000       7.631   25 
-    790000      158000.00      29.134     -45.815     -16.681   5.97 0.071 0.917 0.250 0.446     264.320     270.000       7.328   25 
-    800000      160000.00      26.931     -48.311     -21.379   5.73 0.071 0.923 0.252 0.342     244.335     270.000       7.280   25 
-    810000      162000.00      26.172     -40.400     -14.227   5.66 0.000 1.000 0.290 1.000     237.450     270.000       7.502   25 
-    820000      164000.00      19.320     -45.809     -26.489   6.32 0.143 0.833 0.273 0.533     175.286     270.000       7.508   25 
-    830000      166000.00      22.967     -36.191     -13.223   6.57 0.071 0.875 0.284 0.268     208.372     270.000       7.805   25 
-    840000      168000.00      30.937     -39.634      -8.697   6.51 0.071 0.917 0.231 0.579     280.675     270.000       8.061   25 
-    850000      170000.00      20.233     -39.444     -19.211   6.19 0.143 0.778 0.212 0.918     183.562     270.000       7.498   25 
-    860000      172000.00      37.695     -45.410      -7.715   6.05 0.071 0.917 0.250 0.678     341.992     270.000       7.582   25 
-    870000      174000.00      20.962     -42.867     -21.905   5.60 0.143 0.818 0.302 0.302     190.176     270.000       7.346   25 
-    880000      176000.00      23.591     -43.056     -19.465   6.44 0.143 0.833 0.250 0.561     214.028     270.000       7.778   25 
-    890000      178000.00      30.636     -40.146      -9.510   5.74 0.071 0.889 0.253 1.106     277.945     270.000       7.171   25 
-    900000      180000.00      23.784     -40.397     -16.613   7.55 0.071 0.900 0.295 0.273     215.783     270.000       8.138   25 
-    910000      182000.00      27.138     -50.808     -23.670   5.89 0.143 0.818 0.289 0.417     246.211     270.000       7.305   25 
-    920000      184000.00      28.093     -42.233     -14.141   6.04 0.071 0.875 0.273 0.970     254.871     270.000       7.583   25 
-    930000      186000.00      29.294     -30.867      -1.573   4.17 0.357 0.583 0.205 1.174     265.767     270.000       6.593   25 
-    940000      188000.00      24.268     -35.922     -11.654   4.69 0.286 0.636 0.227 0.752     220.172     270.000       7.041   25 
-    950000      190000.00      22.915     -36.879     -13.964   4.63 0.143 0.818 0.256 0.304     207.894     270.000       6.963   25 
-    960000      192000.00      21.472     -38.074     -16.603   4.13 0.286 0.750 0.352 0.636     194.802     270.000       6.457   25 
-    970000      194000.00      27.191     -36.723      -9.532   4.80 0.214 0.625 0.199 0.248     246.693     270.000       7.110   25 
-    980000      196000.00      32.364     -33.981      -1.617   4.63 0.143 0.875 0.281 0.579     293.623     270.000       6.605   25 
-    990000      198000.00      25.711     -40.765     -15.054   4.82 0.214 0.727 0.240 0.586     233.262     270.000       7.060   25 
-   1000000      200000.00      30.370     -36.916      -6.546   4.56 0.286 0.692 0.269 0.443     275.529     270.000       6.862   25 
+         0           0.00      35.371     112.930     148.301  12.87 0.000   NaN   NaN 4.850     320.906     370.000      15.552   25 
+     10000        2000.00      32.798       1.880      34.678   5.84 0.214 0.700 0.455 0.564     297.561     370.000       7.766   25 
+     20000        4000.00      44.378       7.031      51.409   7.12 0.000 1.000 0.136 0.676     402.616     370.000       9.947   25 
+     30000        6000.00      35.944       9.354      45.298   6.22 0.071 0.500 0.182 0.737     326.102     370.000       9.796   25 
+     40000        8000.00      36.583       0.732      37.315   6.16 0.214 0.625 0.227 0.843     331.900     370.000       7.715   25 
+     50000       10000.00      29.759       6.100      35.859   7.16 0.143 0.333 0.167 1.076     269.992     370.000       7.977   25 
+     60000       12000.00      33.643      19.499      53.142   5.21 0.143 0.667 0.402 0.802     305.230     370.000       8.486   25 
+     70000       14000.00      33.736       6.665      40.401   8.13 0.000 1.000 0.394 0.378     306.068     370.000       7.249   25 
+     80000       16000.00      33.683      11.712      45.395   7.63 0.000 1.000 0.159 1.078     305.590     370.000      10.654   25 
+     90000       18000.00      32.080      16.635      48.715  10.35 0.000 1.000 0.182 0.511     291.047     370.000      13.774   25 
+    100000       20000.00      43.462      23.631      67.093   4.86 0.000 1.000 0.364 0.565     394.306     370.000       7.967   25 
+    110000       22000.00      47.188      11.694      58.882   5.70 0.000 1.000 0.468 0.872     428.113     400.000       7.953   25 
+    120000       24000.00      39.769      17.862      57.632   4.08 0.000 1.000 0.291 0.603     360.808     400.000       8.034   25 
+    130000       26000.00      34.460       6.452      40.912   5.42 0.000 1.000 0.545 0.388     312.638     400.000       8.410   25 
+    140000       28000.00      43.786       8.344      52.129   5.76 0.071 0.875 0.511 0.785     397.246     400.000       8.488   25 
+    150000       30000.00      37.686       4.686      42.372   6.08 0.214 0.571 0.214 0.674     341.910     400.000       8.310   25 
+    160000       32000.00      44.091      10.667      54.759  10.14 0.000   NaN   NaN 0.470     400.017     400.000      14.337   25 
+    170000       34000.00      39.780      17.661      57.441   7.66 0.071 0.667 0.197 0.538     360.905     400.000      10.130   25 
+    180000       36000.00      47.815      12.354      60.169   4.43 0.071 0.750 0.159 1.054     433.800     400.000       8.011   25 
+    190000       38000.00      54.499      10.456      64.956   8.13 0.000 1.000 0.227 0.605     494.447     400.000       9.998   25 
+    200000       40000.00      56.349      14.520      70.869   7.14 0.071 0.500 0.205 0.387     511.226     400.000       8.732   25 
+    210000       42000.00      43.934      10.312      54.247   5.35 0.000 1.000 0.136 0.836     398.596     400.000       8.321   25 
+    220000       44000.00      48.025      17.676      65.702   6.66 0.143 0.500 0.159 0.720     435.712     400.000      10.798   25 
+    230000       46000.00      47.173      11.642      58.815   5.63 0.000 1.000 0.159 0.816     427.974     400.000       9.717   25 
+    240000       48000.00      38.143      -0.591      37.552   4.91 0.000 1.000 0.273 0.465     346.055     400.000       8.860   25 
+    250000       50000.00      52.596      15.522      68.118   5.74 0.071 0.500 0.205 0.457     477.177     400.000       9.578   25 
+    260000       52000.00      36.715      13.492      50.208   8.67 0.000   NaN   NaN 0.475     333.101     400.000      12.338   25 
+    270000       54000.00      25.855       7.737      33.593   7.77 0.071 0.667 0.212 0.505     234.573     400.000       9.583   25 
+    280000       56000.00      45.274       8.432      53.706   7.61 0.000 1.000 0.273 0.230     410.747     400.000       8.711   25 
+    290000       58000.00      39.783      11.692      51.475   7.76 0.143 0.714 0.253 0.480     360.928     400.000       8.836   25 
+    300000       60000.00      41.478       6.053      47.531   6.40 0.071 0.857 0.240 0.679     376.306     400.000       8.522   25 
+    310000       62000.00      46.542       7.523      54.065   4.97 0.000 1.000 0.432 0.490     422.250     400.000       9.541   25 
+    320000       64000.00      59.108      12.001      71.109   5.80 0.000 1.000 0.182 0.558     536.258     400.000       9.081   25 
+    330000       66000.00      46.001       7.264      53.265   5.22 0.000 1.000 0.682 0.391     417.345     400.000       8.676   25 
+    340000       68000.00      36.062       9.018      45.080   8.62 0.000 1.000 0.182 0.986     327.173     400.000      10.447   25 
+    350000       70000.00      38.493      16.312      54.805   8.43 0.000 1.000 0.159 1.128     349.231     400.000      12.758   25 
+    360000       72000.00      36.850      18.713      55.563  10.65 0.071 0.000 0.136 0.902     334.321     400.000      13.245   25 
+    370000       74000.00      43.707       7.503      51.210   4.69 0.143 0.600 0.355 0.325     396.532     400.000       7.706   25 
+    380000       76000.00      38.857      18.509      57.367   8.02 0.143 0.000 0.136 0.346     352.534     400.000      10.228   25 
+    390000       78000.00      45.169       8.724      53.893   6.97 0.000 1.000 0.341 0.508     409.801     400.000       8.502   25 
+    400000       80000.00      36.430      18.502      54.932   4.51 0.000   NaN   NaN 0.512     330.507     400.000       8.988   25 
+    410000       82000.00      36.936      19.139      56.075   7.40 0.071 0.500 0.136 0.340     335.106     390.000      11.458   25 
+    420000       84000.00      38.214      14.695      52.908   3.73 0.000 1.000 0.284 1.014     346.697     390.000       7.904   25 
+    430000       86000.00      36.545      23.885      60.429   7.44 0.071 0.000 0.136 0.425     331.551     390.000      11.550   25 
+    440000       88000.00      38.234       6.491      44.725   5.29 0.286 0.600 0.291 0.615     346.875     390.000       7.827   25 
+    450000       90000.00      48.131       7.596      55.727   6.17 0.000 1.000 0.432 0.370     436.669     390.000       8.119   25 
+    460000       92000.00      34.494      15.015      49.509  10.19 0.071 0.500 0.136 0.413     312.947     390.000      13.150   25 
+    470000       94000.00      30.575       9.502      40.077   4.07 0.000 1.000 0.293 0.220     277.392     390.000       7.642   25 
+    480000       96000.00      41.350      11.520      52.869   9.34 0.000 1.000 0.227 0.615     375.145     390.000      13.036   25 
+    490000       98000.00      56.207      10.420      66.626   8.54 0.000   NaN   NaN 0.716     509.934     390.000      13.157   25 
+    500000      100000.00      27.722      13.006      40.728   4.44 0.143 0.667 0.477 0.385     251.508     390.000       8.840   25 
+    510000      102000.00      36.087      12.210      48.297   7.74 0.143 0.600 0.173 0.442     327.396     380.000       9.782   25 
+    520000      104000.00      41.032      15.486      56.518   9.58 0.143 0.500 0.170 0.560     372.262     380.000      11.749   25 
+    530000      106000.00      39.174      14.000      53.174   7.10 0.000 1.000 0.136 1.392     355.407     380.000      10.829   25 
+    540000      108000.00      32.748       4.493      37.241   5.83 0.143 0.667 0.205 1.448     297.105     380.000       8.443   25 
+    550000      110000.00      36.828      18.755      55.582   5.56 0.071 0.750 0.216 1.130     334.121     380.000       9.727   25 
+    560000      112000.00      40.395      16.092      56.487   7.75 0.071 0.000 0.136 0.539     366.482     380.000      11.859   25 
+    570000      114000.00      34.529       6.887      41.416   5.45 0.143 0.714 0.299 0.518     313.264     380.000       8.873   25 
+    580000      116000.00      40.285      17.547      57.832   8.30 0.143 0.500 0.193 0.268     365.489     380.000      12.200   25 
+    590000      118000.00      36.417      22.205      58.622   6.53 0.071 0.000 0.182 0.459     330.398     380.000      10.091   25 
+    600000      120000.00      37.251       8.636      45.886   6.06 0.000 1.000 0.159 0.249     337.957     380.000       9.973   25 
+    610000      122000.00      32.188      14.456      46.644   4.92 0.071 0.500 0.159 0.929     292.027     400.000       9.069   25 
+    620000      124000.00      43.607       6.177      49.784   6.49 0.000 1.000 0.356 0.346     395.622     400.000       8.983   25 
+    630000      126000.00      45.621      16.448      62.069   6.65 0.071 0.500 0.523 0.268     413.900     400.000       8.400   25 
+    640000      128000.00      49.662      11.508      61.170   6.07 0.000 1.000 0.436 0.476     450.562     400.000       9.085   25 
+    650000      130000.00      31.922       4.931      36.853   5.17 0.071 0.875 0.335 0.705     289.617     400.000       7.512   25 
+    660000      132000.00      42.963      18.716      61.679   8.86 0.000 1.000 0.205 0.303     389.787     400.000      10.947   25 
+    670000      134000.00      42.068       4.623      46.691   6.71 0.071 0.667 0.227 0.257     381.664     400.000       9.412   25 
+    680000      136000.00      42.956      15.289      58.245   8.93 0.000 1.000 0.136 0.600     389.723     400.000      12.779   25 
+    690000      138000.00      34.590       9.952      44.542   5.14 0.143 0.800 0.377 0.851     313.820     400.000       7.404   25 
+    700000      140000.00      36.367      23.976      60.343   8.52 0.000 1.000 0.182 0.639     329.942     400.000      12.387   25 
+    710000      142000.00      38.031      19.141      57.172   3.97 0.000 1.000 0.338 0.503     345.037     400.000       7.907   25 
+    720000      144000.00      35.429       9.820      45.248   7.20 0.143 0.714 0.273 0.501     321.426     400.000       8.010   25 
+    730000      146000.00      45.925      13.117      59.043   4.31 0.143 0.667 0.318 0.152     416.659     400.000       8.319   25 
+    740000      148000.00      33.463      12.977      46.440   8.77 0.071 0.000 0.136 0.353     303.593     400.000      12.066   25 
+    750000      150000.00      39.588       1.488      41.076   6.47 0.143 0.714 0.435 0.934     359.163     400.000       8.002   25 
+    760000      152000.00      34.184      15.743      49.927  10.27 0.143 0.000 0.136 0.807     310.135     400.000      14.030   25 
+    770000      154000.00      37.321      15.008      52.329   5.38 0.000 1.000 0.409 0.757     338.600     400.000       8.395   25 
+    780000      156000.00      30.157      19.246      49.403   6.64 0.000 1.000 0.318 0.483     273.603     400.000      10.864   25 
+    790000      158000.00      43.915       9.662      53.577   7.84 0.000 1.000 0.250 0.849     398.418     400.000      10.619   25 
+    800000      160000.00      38.092      10.362      48.454   5.82 0.143 0.667 0.417 1.062     345.588     400.000       7.998   25 
+    810000      162000.00      39.328      16.350      55.678   4.57 0.000 1.000 0.326 1.021     356.803     390.000       7.734   25 
+    820000      164000.00      27.160      13.189      40.349   8.25 0.143 0.750 0.295 0.226     246.409     390.000       9.000   25 
+    830000      166000.00      31.304      16.629      47.933   9.04 0.000   NaN   NaN 0.334     284.008     390.000      13.869   25 
+    840000      168000.00      41.139       8.958      50.098   5.57 0.143 0.667 0.333 0.643     373.237     390.000       7.714   25 
+    850000      170000.00      34.360      -0.897      33.464   5.48 0.214 0.625 0.256 0.388     311.736     390.000       7.912   25 
+    860000      172000.00      48.961       1.973      50.933   6.46 0.143 0.333 0.273 0.313     444.199     390.000       8.446   25 
+    870000      174000.00      31.265       4.953      36.219   5.70 0.000 1.000 0.284 0.398     283.655     390.000       8.022   25 
+    880000      176000.00      32.742       4.717      37.459   5.54 0.214 0.400 0.227 0.761     297.050     390.000       7.907   25 
+    890000      178000.00      43.912      11.579      55.491  11.47 0.000 1.000 0.227 0.168     398.390     390.000      14.350   25 
+    900000      180000.00      34.239      10.269      44.508   4.66 0.143 0.667 0.394 0.523     310.631     390.000       8.577   25 
+    910000      182000.00      38.364       4.870      43.233   5.83 0.071 0.500 0.159 0.372     348.054     380.000       8.723   25 
+    920000      184000.00      41.060      11.220      52.279   6.78 0.143 0.500 0.227 0.672     372.514     380.000       8.805   25 
+    930000      186000.00      39.155       9.417      48.571   5.39 0.071 0.000 0.136 0.887     355.231     380.000       7.490   25 
+    940000      188000.00      38.374      12.235      50.609   5.70 0.071 0.800 0.318 0.781     348.149     380.000       8.673   25 
+    950000      190000.00      32.746      13.652      46.398   5.68 0.143 0.600 0.345 0.375     297.084     380.000       8.940   25 
+    960000      192000.00      28.444       4.805      33.249   5.00 0.000 1.000 0.136 0.236     258.058     380.000       8.800   25 
+    970000      194000.00      37.092      18.352      55.444   5.20 0.071 0.500 0.455 0.876     336.522     380.000       9.449   25 
+    980000      196000.00      44.169       8.171      52.340   5.77 0.143 0.714 0.260 0.596     400.724     380.000       8.792   25 
+    990000      198000.00      36.802       3.612      40.414   7.04 0.071 0.875 0.403 0.297     333.885     380.000       7.603   25 
+   1000000      200000.00      41.185      14.826      56.010   5.64 0.071 0.750 0.170 1.250     373.648     380.000       9.559   25 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat
index 7fda7d8..a9ac764 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.040     114.718     141.759  12.87 0.000   NaN   NaN 4.850     245.323     310.000      15.552   26 
-     10000        2000.00      32.396     -13.327      19.068   3.02 0.357 0.545 0.364 0.658     293.911     310.000       7.319   26 
-     20000        4000.00      30.815     -14.711      16.104   4.52 0.143 0.867 0.342 0.718     279.568     310.000       6.793   26 
-     30000        6000.00      24.599      -5.131      19.468   5.14 0.214 0.700 0.382 0.486     223.172     310.000       7.399   26 
-     40000        8000.00      32.156     -15.748      16.408   6.23 0.286 0.556 0.192 0.488     291.739     310.000       7.751   26 
-     50000       10000.00      33.120     -12.137      20.983   4.07 0.357 0.500 0.200 0.626     300.478     310.000       7.967   26 
-     60000       12000.00      31.615     -24.522       7.094   6.35 0.143 0.778 0.202 0.507     286.831     310.000       8.007   26 
-     70000       14000.00      29.713     -15.893      13.820   5.98 0.071 0.875 0.244 0.401     269.574     310.000       7.562   26 
-     80000       16000.00      36.827     -21.969      14.858   5.81 0.214 0.769 0.245 0.596     334.115     310.000       7.756   26 
-     90000       18000.00      23.790     -23.118       0.673   5.99 0.000 1.000 0.278 0.275     215.839     310.000       7.303   26 
-    100000       20000.00      34.355     -25.601       8.754   3.86 0.357 0.688 0.332 0.543     311.689     310.000       7.017   26 
-    110000       22000.00      30.033      -8.519      21.514   7.97 0.071 0.833 0.182 0.279     272.473     310.000       9.709   26 
-    120000       24000.00      30.594     -20.987       9.607   4.31 0.214 0.800 0.321 0.354     277.569     310.000       6.789   26 
-    130000       26000.00      34.718     -25.456       9.262   3.56 0.214 0.727 0.194 1.112     314.978     310.000       7.053   26 
-    140000       28000.00      39.906      -8.726      31.180   3.15 0.214 0.571 0.208 0.817     362.051     310.000       7.140   26 
-    150000       30000.00      37.426      -6.509      30.917   4.17 0.286 0.556 0.237 0.334     339.546     310.000       7.223   26 
-    160000       32000.00      37.086     -20.038      17.047   4.05 0.143 0.714 0.234 0.232     336.461     310.000       7.199   26 
-    170000       34000.00      39.556     -21.760      17.796   4.96 0.143 0.846 0.371 0.475     358.875     310.000       6.875   26 
-    180000       36000.00      35.442     -18.175      17.266   3.84 0.286 0.692 0.262 0.963     321.546     310.000       6.561   26 
-    190000       38000.00      24.624     -20.264       4.360   4.97 0.214 0.727 0.269 0.300     223.399     310.000       7.351   26 
-    200000       40000.00      30.926     -21.249       9.676   3.92 0.357 0.444 0.167 0.952     280.573     310.000       8.167   26 
-    210000       42000.00      31.739     -19.932      11.808   3.13 0.286 0.500 0.165 0.259     287.957     310.000       7.865   26 
-    220000       44000.00      27.975     -15.199      12.776   3.70 0.143 0.750 0.250 0.368     253.807     310.000       7.469   26 
-    230000       46000.00      25.686     -17.596       8.090   3.02 0.429 0.625 0.284 0.473     233.036     310.000       6.515   26 
-    240000       48000.00      34.134     -24.394       9.740   2.70 0.357 0.545 0.298 0.420     309.680     310.000       7.220   26 
-    250000       50000.00      32.593     -19.348      13.245   2.81 0.286 0.600 0.200 0.544     295.699     310.000       7.185   26 
-    260000       52000.00      32.024     -21.190      10.834   3.25 0.500 0.533 0.336 0.313     290.535     310.000       7.334   26 
-    270000       54000.00      31.133     -17.781      13.352   3.44 0.143 0.714 0.208 0.412     282.453     310.000       7.223   26 
-    280000       56000.00      26.860     -19.650       7.210   6.58 0.143 0.667 0.167 0.787     243.688     310.000       7.585   26 
-    290000       58000.00      31.902     -14.225      17.677   6.15 0.143 0.778 0.227 0.486     289.434     310.000       7.612   26 
-    300000       60000.00      30.845      -3.287      27.557   5.00 0.071 0.857 0.286 0.325     279.837     310.000       7.890   26 
-    310000       62000.00      27.992      -5.729      22.263   6.48 0.071 0.875 0.233 0.362     253.955     310.000       7.656   26 
-    320000       64000.00      29.419     -21.471       7.949   2.91 0.286 0.714 0.305 0.578     266.907     310.000       6.657   26 
-    330000       66000.00      32.513      -7.946      24.567   3.99 0.286 0.500 0.261 1.301     294.976     310.000       7.170   26 
-    340000       68000.00      45.541     -12.966      32.576   3.01 0.214 0.727 0.289 0.456     413.176     310.000       6.949   26 
-    350000       70000.00      29.455     -21.484       7.971   4.48 0.214 0.727 0.215 0.590     267.231     310.000       7.387   26 
-    360000       72000.00      33.702      -9.110      24.592   3.88 0.214 0.625 0.358 0.733     305.763     310.000       7.305   26 
-    370000       74000.00      38.276     -14.483      23.793   4.05 0.286 0.636 0.194 0.324     347.256     310.000       7.693   26 
-    380000       76000.00      38.454     -16.758      21.696   3.38 0.214 0.750 0.345 0.366     348.872     310.000       7.446   26 
-    390000       78000.00      33.671     -17.907      15.764   6.06 0.214 0.571 0.175 0.628     305.479     310.000       8.837   26 
-    400000       80000.00      29.531     -11.985      17.546   5.28 0.143 0.778 0.167 0.098     267.919     310.000       8.405   26 
-    410000       82000.00      24.777     -13.615      11.161   5.01 0.071 0.875 0.250 0.455     224.785     310.000       6.987   26 
-    420000       84000.00      23.286     -11.849      11.438   6.41 0.214 0.571 0.162 0.355     211.265     310.000       8.837   26 
-    430000       86000.00      33.752      -7.950      25.802   6.94 0.143 0.778 0.222 0.487     306.212     310.000       8.459   26 
-    440000       88000.00      30.339     -16.315      14.024   2.78 0.286 0.429 0.201 0.469     275.254     310.000       7.687   26 
-    450000       90000.00      38.311     -18.663      19.648   4.61 0.357 0.444 0.157 0.349     347.577     310.000       7.927   26 
-    460000       92000.00      29.530     -22.512       7.018   4.87 0.286 0.636 0.397 0.468     267.908     310.000       6.775   26 
-    470000       94000.00      23.505     -11.769      11.736   5.66 0.143 0.833 0.398 0.162     213.253     310.000       6.912   26 
-    480000       96000.00      33.609      -5.905      27.705   6.66 0.286 0.692 0.311 0.526     304.922     310.000       6.701   26 
-    490000       98000.00      36.205     -19.279      16.927   4.25 0.214 0.769 0.283 0.613     328.475     310.000       6.847   26 
-    500000      100000.00      30.916      -7.787      23.129   7.03 0.286 0.636 0.169 0.482     280.487     310.000       9.321   26 
-    510000      102000.00      39.357      -1.824      37.533   3.99 0.214 0.571 0.292 0.735     357.071     330.000       7.455   26 
-    520000      104000.00      31.460       0.237      31.697   4.66 0.214 0.500 0.159 0.300     285.420     330.000       7.960   26 
-    530000      106000.00      29.375       3.462      32.837   5.13 0.214 0.625 0.278 1.027     266.507     330.000       7.421   26 
-    540000      108000.00      41.867       2.707      44.573   3.78 0.214 0.667 0.308 0.905     379.835     330.000       8.213   26 
-    550000      110000.00      41.855      -5.104      36.751   4.75 0.214 0.667 0.217 1.410     379.729     330.000       7.958   26 
-    560000      112000.00      32.708      -3.424      29.284   5.46 0.143 0.750 0.188 0.631     296.742     330.000       9.051   26 
-    570000      114000.00      46.755      -5.934      40.822   4.35 0.143 0.714 0.279 0.882     424.188     330.000       7.890   26 
-    580000      116000.00      28.167      -1.915      26.253   5.91 0.143 0.667 0.500 0.869     255.547     330.000       8.268   26 
-    590000      118000.00      28.683      -6.284      22.399   6.02 0.143 0.750 0.295 0.375     260.230     330.000       7.124   26 
-    600000      120000.00      37.189     -20.159      17.030   3.04 0.214 0.786 0.360 0.757     337.402     330.000       6.411   26 
-    610000      122000.00      32.217     -17.878      14.339   5.39 0.071 0.933 0.394 0.367     292.291     330.000       6.570   26 
-    620000      124000.00      28.077      -6.929      21.148   4.33 0.286 0.556 0.227 0.303     254.734     330.000       7.266   26 
-    630000      126000.00      46.595      -6.101      40.493   5.59 0.214 0.700 0.273 0.610     422.732     330.000       6.884   26 
-    640000      128000.00      45.092      -9.084      36.008   3.73 0.143 0.667 0.288 0.191     409.102     330.000       7.615   26 
-    650000      130000.00      29.867      -9.779      20.088   3.57 0.000 1.000 0.435 0.315     270.972     330.000       7.808   26 
-    660000      132000.00      32.247     -14.144      18.102   4.37 0.286 0.556 0.197 0.410     292.559     330.000       8.219   26 
-    670000      134000.00      34.755      -8.420      26.335   7.93 0.214 0.571 0.182 0.386     315.319     330.000       9.566   26 
-    680000      136000.00      31.618      -8.513      23.105   3.68 0.214 0.727 0.182 0.937     286.857     330.000       8.086   26 
-    690000      138000.00      38.842      -0.482      38.359   6.14 0.071 0.833 0.182 0.900     352.390     330.000       9.558   26 
-    700000      140000.00      37.475      -9.390      28.085   3.31 0.143 0.800 0.414 0.820     339.993     330.000       7.115   26 
-    710000      142000.00      33.230      10.975      44.205   6.78 0.071 0.500 0.182 0.474     301.481     340.000       9.630   26 
-    720000      144000.00      40.134       4.974      45.109   7.96 0.071 0.833 0.189 1.588     364.121     340.000      10.197   26 
-    730000      146000.00      34.545      11.102      45.647   5.90 0.214 0.400 0.227 0.454     313.413     340.000       7.747   26 
-    740000      148000.00      38.945       6.619      45.563   6.80 0.000 1.000 0.282 0.491     353.325     340.000       7.789   26 
-    750000      150000.00      33.282      -4.594      28.688   6.00 0.143 0.846 0.273 0.393     301.953     340.000       7.463   26 
-    760000      152000.00      36.525       7.400      43.925   7.20 0.071 0.800 0.209 0.365     331.376     340.000      10.157   26 
-    770000      154000.00      40.478       1.115      41.592   6.98 0.071 0.833 0.280 0.843     367.233     340.000      10.119   26 
-    780000      156000.00      43.956      10.198      54.154   5.77 0.000 1.000 0.364 0.547     398.793     340.000       8.353   26 
-    790000      158000.00      32.288       6.275      38.563   3.71 0.214 0.500 0.167 0.335     292.935     340.000       8.675   26 
-    800000      160000.00      40.561       0.679      41.241   5.22 0.071 0.833 0.379 0.479     367.995     340.000       8.387   26 
-    810000      162000.00      34.544      10.495      45.039   5.23 0.143 0.333 0.318 1.102     313.400     380.000       8.584   26 
-    820000      164000.00      36.447      21.031      57.479   8.96 0.000 1.000 0.227 0.453     330.668     380.000      13.288   26 
-    830000      166000.00      34.158      11.602      45.760   5.60 0.143 0.667 0.197 0.893     309.901     380.000       8.056   26 
-    840000      168000.00      38.175       3.797      41.972   5.46 0.071 0.750 0.227 0.485     346.342     380.000       9.289   26 
-    850000      170000.00      34.893       4.669      39.563  11.02 0.000 1.000 0.136 0.423     316.568     380.000      13.441   26 
-    860000      172000.00      41.208      -2.104      39.104   5.11 0.214 0.571 0.318 1.407     373.858     380.000       8.357   26 
-    870000      174000.00      35.545      10.326      45.871   8.96 0.000   NaN   NaN 0.459     322.485     380.000      12.100   26 
-    880000      176000.00      36.461       9.015      45.475   7.97 0.000   NaN   NaN 0.378     330.789     380.000      10.720   26 
-    890000      178000.00      40.727       9.005      49.732   9.30 0.071 0.667 0.197 0.748     369.495     380.000      12.475   26 
-    900000      180000.00      41.436      11.060      52.496   6.86 0.143 0.714 0.201 0.356     375.926     380.000       8.106   26 
-    910000      182000.00      41.917      -3.422      38.495   7.13 0.000 1.000 0.222 0.672     380.292     360.000       9.557   26 
-    920000      184000.00      41.602       4.234      45.836   6.39 0.143 0.800 0.268 0.524     377.434     360.000       8.150   26 
-    930000      186000.00      31.848     -11.793      20.055   7.36 0.071 0.917 0.311 0.235     288.941     360.000       6.977   26 
-    940000      188000.00      33.834       9.313      43.147   6.40 0.214 0.667 0.318 0.314     306.962     360.000       8.364   26 
-    950000      190000.00      34.845       3.473      38.318   6.18 0.143 0.667 0.205 0.198     316.128     360.000       7.713   26 
-    960000      192000.00      35.642       2.055      37.697   6.40 0.071 0.800 0.418 0.367     323.362     360.000       8.154   26 
-    970000      194000.00      25.625       4.620      30.245   4.23 0.000 1.000 0.382 0.685     232.487     360.000       7.706   26 
-    980000      196000.00      41.313       3.808      45.121   5.16 0.071 0.750 0.205 0.521     374.813     360.000       8.560   26 
-    990000      198000.00      30.295       7.759      38.054   8.05 0.000 1.000 0.227 0.902     274.856     360.000      11.372   26 
-   1000000      200000.00      29.880       3.136      33.015   4.96 0.143 0.600 0.182 0.578     271.086     360.000       8.569   26 
+         0           0.00      33.146     112.708     145.854  12.87 0.000   NaN   NaN 4.850     300.719     380.000      15.552   26 
+     10000        2000.00      39.051      17.997      57.047  11.16 0.000   NaN   NaN 0.928     354.288     380.000      14.308   26 
+     20000        4000.00      38.900      18.078      56.979   4.93 0.000 1.000 0.205 0.500     352.923     380.000       8.604   26 
+     30000        6000.00      29.055      19.657      48.712   6.86 0.214 0.250 0.148 0.558     263.603     380.000      10.608   26 
+     40000        8000.00      42.114       6.295      48.410   7.56 0.000   NaN   NaN 0.342     382.084     380.000      10.398   26 
+     50000       10000.00      37.642      -0.218      37.424   7.74 0.143 0.600 0.200 0.583     341.504     380.000       8.706   26 
+     60000       12000.00      32.097      -1.686      30.411   4.48 0.143 0.714 0.552 0.369     291.198     380.000       7.436   26 
+     70000       14000.00      42.279       3.000      45.279   5.35 0.214 0.571 0.364 0.427     383.573     380.000       6.908   26 
+     80000       16000.00      45.983       7.577      53.560   4.07 0.000 1.000 0.396 0.827     417.182     380.000       7.878   26 
+     90000       18000.00      33.144       1.098      34.243   6.86 0.071 0.833 0.250 0.202     300.702     380.000       7.516   26 
+    100000       20000.00      39.036       2.081      41.117   5.20 0.000 1.000 0.327 0.741     354.155     380.000       8.316   26 
+    110000       22000.00      33.250       3.539      36.790   5.49 0.143 0.667 0.424 0.395     301.663     360.000       8.609   26 
+    120000       24000.00      32.696      11.269      43.965   7.64 0.143 0.500 0.159 0.425     296.639     360.000       9.375   26 
+    130000       26000.00      37.756       8.047      45.802   8.50 0.071 0.800 0.209 0.935     342.538     360.000      11.549   26 
+    140000       28000.00      46.707       8.660      55.367   5.10 0.143 0.714 0.175 0.606     423.747     360.000       9.230   26 
+    150000       30000.00      45.440       3.148      48.588   8.29 0.286 0.600 0.195 0.318     412.253     360.000      10.451   26 
+    160000       32000.00      38.153       5.473      43.627   6.08 0.000 1.000 0.455 0.322     346.147     360.000       8.366   26 
+    170000       34000.00      46.081       5.073      51.154   6.10 0.143 0.667 0.356 0.343     418.072     360.000       8.304   26 
+    180000       36000.00      37.219       8.262      45.482   7.17 0.000 1.000 0.197 0.537     337.672     360.000      10.413   26 
+    190000       38000.00      28.824      15.429      44.253   4.79 0.143 0.667 0.273 0.307     261.510     360.000       8.989   26 
+    200000       40000.00      35.969      -3.505      32.464   3.95 0.071 0.857 0.240 0.168     326.333     360.000       7.682   26 
+    210000       42000.00      38.102       3.501      41.603   4.58 0.214 0.500 0.386 0.479     345.683     340.000       7.729   26 
+    220000       44000.00      33.492      18.979      52.471   5.25 0.000 1.000 0.197 0.423     303.861     340.000       8.118   26 
+    230000       46000.00      26.458       4.858      31.316   6.62 0.000 1.000 0.199 0.828     240.040     340.000       8.444   26 
+    240000       48000.00      38.548     -13.470      25.079   3.28 0.214 0.750 0.311 0.602     349.730     340.000       6.785   26 
+    250000       50000.00      35.386       4.437      39.823   7.04 0.000 1.000 0.205 0.652     321.042     340.000       9.749   26 
+    260000       52000.00      34.170     -13.004      21.165   4.21 0.357 0.444 0.207 0.484     310.007     340.000       7.699   26 
+    270000       54000.00      32.020      -1.397      30.623   6.86 0.000 1.000 0.325 0.384     290.500     340.000       7.656   26 
+    280000       56000.00      28.635       0.623      29.258   6.95 0.071 0.000 0.136 0.870     259.795     340.000      10.814   26 
+    290000       58000.00      37.622      -1.931      35.691   5.20 0.000 1.000 0.462 0.246     341.324     340.000       7.577   26 
+    300000       60000.00      34.441      -7.247      27.194   4.72 0.000 1.000 0.368 0.709     312.465     340.000       7.425   26 
+    310000       62000.00      29.293       1.446      30.740   4.54 0.071 0.000 0.182 0.532     265.765     340.000       8.091   26 
+    320000       64000.00      31.721      -6.231      25.490   6.09 0.071 0.857 0.273 0.927     287.793     340.000       8.015   26 
+    330000       66000.00      38.180       4.492      42.672   7.15 0.000 1.000 0.227 0.693     346.392     340.000      10.875   26 
+    340000       68000.00      53.109      -5.325      47.784   3.81 0.214 0.625 0.256 0.553     481.830     340.000       7.170   26 
+    350000       70000.00      31.131      -8.683      22.447   5.16 0.143 0.667 0.182 0.225     282.435     340.000       8.732   26 
+    360000       72000.00      36.164       6.324      42.488   6.33 0.071 0.750 0.557 0.903     328.101     340.000       7.005   26 
+    370000       74000.00      40.714      -0.480      40.234   5.30 0.143 0.714 0.468 0.667     369.379     340.000       6.930   26 
+    380000       76000.00      41.724       8.940      50.664   6.10 0.000 1.000 0.136 0.744     378.539     340.000       9.957   26 
+    390000       78000.00      36.054       9.327      45.381   6.57 0.000   NaN   NaN 0.259     327.105     340.000       8.599   26 
+    400000       80000.00      30.863       5.519      36.382   7.91 0.214 0.400 0.164 0.330     280.009     340.000      10.754   26 
+    410000       82000.00      31.800       5.482      37.282   5.72 0.071 0.667 0.394 0.704     288.509     360.000       8.277   26 
+    420000       84000.00      27.712       3.959      31.671   4.54 0.214 0.250 0.284 0.263     251.420     360.000       8.072   26 
+    430000       86000.00      35.224      15.509      50.732   5.13 0.000 1.000 0.182 0.394     319.566     360.000       8.917   26 
+    440000       88000.00      39.614       9.744      49.358   6.90 0.143 0.600 0.282 0.572     359.396     360.000       9.761   26 
+    450000       90000.00      46.616       2.709      49.324   7.44 0.000 1.000 0.364 0.457     422.922     360.000       8.349   26 
+    460000       92000.00      34.118       1.433      35.551   5.54 0.000 1.000 0.500 0.927     309.536     360.000       7.511   26 
+    470000       94000.00      25.917       7.163      33.080   8.65 0.071 0.800 0.164 0.220     235.131     360.000       9.968   26 
+    480000       96000.00      37.563       6.826      44.389   6.35 0.071 0.667 0.348 0.778     340.793     360.000       8.319   26 
+    490000       98000.00      37.126      10.411      47.537   8.01 0.000 1.000 0.193 0.639     336.830     360.000      10.540   26 
+    500000      100000.00      35.934      -3.408      32.526   4.25 0.143 0.714 0.390 0.457     326.007     360.000       7.226   26 
+    510000      102000.00      42.752       2.874      45.626   5.90 0.000 1.000 0.466 0.310     387.871     350.000       7.485   26 
+    520000      104000.00      36.717       2.252      38.969   5.27 0.000 1.000 0.327 0.474     333.117     350.000       8.793   26 
+    530000      106000.00      32.598      11.648      44.246   7.64 0.071 0.667 0.182 0.634     295.747     350.000      10.538   26 
+    540000      108000.00      44.107       7.974      52.081   8.21 0.071 0.833 0.182 0.231     400.160     350.000      10.294   26 
+    550000      110000.00      43.802       8.148      51.950   5.11 0.071 0.667 0.318 0.696     397.393     350.000       8.193   26 
+    560000      112000.00      32.925     -11.331      21.594   3.16 0.214 0.786 0.318 0.797     298.716     350.000       6.808   26 
+    570000      114000.00      47.448       7.350      54.797   5.56 0.071 0.900 0.450 0.347     430.469     350.000       7.284   26 
+    580000      116000.00      27.954      14.174      42.127   6.35 0.071 0.800 0.164 0.720     253.613     350.000       9.830   26 
+    590000      118000.00      32.870       6.347      39.217   6.73 0.000 1.000 0.182 0.927     298.216     350.000       9.832   26 
+    600000      120000.00      39.945      -9.353      30.592   6.39 0.214 0.625 0.341 0.670     362.402     350.000       8.029   26 
+    610000      122000.00      35.378       5.999      41.376   9.13 0.071 0.667 0.152 0.582     320.963     350.000      11.265   26 
+    620000      124000.00      31.911      -2.606      29.305   6.43 0.071 0.833 0.371 0.148     289.511     350.000       7.547   26 
+    630000      126000.00      45.706       7.924      53.630   5.30 0.071 0.857 0.344 0.280     414.666     350.000       8.713   26 
+    640000      128000.00      46.136       8.981      55.117   6.99 0.000 1.000 0.364 1.015     418.567     350.000       8.780   26 
+    650000      130000.00      32.697       6.734      39.431   6.39 0.000 1.000 0.182 0.179     296.642     350.000      10.243   26 
+    660000      132000.00      39.001       9.525      48.526   8.18 0.071 0.500 0.136 0.434     353.840     350.000      11.674   26 
+    670000      134000.00      31.612      -5.464      26.148   5.33 0.000 1.000 0.555 0.511     286.798     350.000       8.249   26 
+    680000      136000.00      31.253       2.838      34.091   6.92 0.143 0.333 0.182 0.857     283.544     350.000       8.807   26 
+    690000      138000.00      38.923       3.811      42.734   8.32 0.143 0.500 0.159 0.940     353.130     350.000      10.403   26 
+    700000      140000.00      38.020       0.598      38.617   6.32 0.000 1.000 0.288 0.871     344.933     350.000       8.607   26 
+    710000      142000.00      35.324      -0.969      34.355   4.71 0.000 1.000 0.341 0.223     320.475     350.000       7.474   26 
+    720000      144000.00      47.314       5.174      52.488   3.82 0.143 0.667 0.227 0.874     429.256     350.000       8.134   26 
+    730000      146000.00      35.080       8.010      43.090   7.23 0.071 0.667 0.197 0.410     318.260     350.000      11.054   26 
+    740000      148000.00      38.958      -2.028      36.929   9.06 0.143 0.714 0.253 0.488     353.445     350.000      10.702   26 
+    750000      150000.00      33.077       2.514      35.591   4.61 0.000 1.000 0.327 0.850     300.091     350.000       8.868   26 
+    760000      152000.00      38.383      -5.522      32.861   3.39 0.143 0.600 0.209 0.464     348.230     350.000       8.013   26 
+    770000      154000.00      43.028       4.745      47.773   5.73 0.071 0.833 0.205 0.494     390.375     350.000       8.039   26 
+    780000      156000.00      43.434       1.978      45.411   6.72 0.071 0.667 0.258 0.600     394.052     350.000       9.799   26 
+    790000      158000.00      34.532      17.695      52.227   9.09 0.071 0.000 0.136 0.380     313.296     350.000      12.455   26 
+    800000      160000.00      40.224      14.329      54.553   4.68 0.286 0.636 0.285 1.887     364.932     350.000       7.723   26 
+    810000      162000.00      39.137       6.034      45.171   5.84 0.214 0.667 0.318 0.742     355.075     400.000       8.153   26 
+    820000      164000.00      40.436      17.322      57.758  10.62 0.000   NaN   NaN 0.396     366.853     400.000      13.088   26 
+    830000      166000.00      35.749      19.172      54.920   6.05 0.071 0.667 0.167 0.398     324.331     400.000       8.678   26 
+    840000      168000.00      39.101      18.203      57.304   9.38 0.000 1.000 0.167 0.546     354.746     400.000      12.756   26 
+    850000      170000.00      34.562      11.307      45.869   5.96 0.071 0.667 0.333 0.469     313.563     400.000       8.913   26 
+    860000      172000.00      44.695       7.289      51.985   7.31 0.071 0.667 0.227 0.570     405.501     400.000       9.422   26 
+    870000      174000.00      40.455      15.343      55.798   5.46 0.143 0.800 0.450 0.628     367.028     400.000       7.612   26 
+    880000      176000.00      36.216       4.772      40.988   7.44 0.000 1.000 0.250 0.348     328.566     400.000       7.674   26 
+    890000      178000.00      44.820      11.188      56.008   6.11 0.214 0.571 0.318 0.441     406.631     400.000       9.003   26 
+    900000      180000.00      44.718      28.097      72.816   9.35 0.000   NaN   NaN 0.431     405.708     400.000      13.178   26 
+    910000      182000.00      38.945      11.454      50.399   9.13 0.214 0.400 0.173 0.659     353.325     390.000      12.268   26 
+    920000      184000.00      42.073       5.143      47.216   5.03 0.071 0.833 0.417 1.893     381.708     390.000       7.936   26 
+    930000      186000.00      32.966      10.804      43.770   5.94 0.071 0.750 0.239 1.093     299.087     390.000       9.300   26 
+    940000      188000.00      36.242      24.008      60.251   6.93 0.000   NaN   NaN 0.934     328.810     390.000      10.580   26 
+    950000      190000.00      34.679       3.276      37.955   5.87 0.000 1.000 0.258 0.610     314.630     390.000      10.133   26 
+    960000      192000.00      35.179       5.188      40.368   6.61 0.143 0.667 0.379 1.028     319.164     390.000       7.917   26 
+    970000      194000.00      30.498      13.515      44.013   6.80 0.143 0.500 0.307 0.152     276.696     390.000       9.865   26 
+    980000      196000.00      47.333      14.922      62.255   4.41 0.214 0.571 0.273 1.110     429.430     390.000       7.988   26 
+    990000      198000.00      32.061      21.123      53.184   9.66 0.000   NaN   NaN 0.517     290.873     390.000      13.271   26 
+   1000000      200000.00      34.930       0.499      35.429   3.52 0.071 0.833 0.561 0.423     316.903     390.000       7.504   26 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB027.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB027.stat
index 3448027..95be9fd 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB027.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB027.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.679     114.718     148.397  12.87 0.000   NaN   NaN 4.850     305.551     310.000      15.552   27 
-     10000        2000.00      33.039     -23.357       9.681   5.15 0.357 0.500 0.173 0.242     299.744     310.000       8.684   27 
-     20000        4000.00      34.449     -15.633      18.817   4.52 0.000 1.000 0.292 1.099     312.544     310.000       7.420   27 
-     30000        6000.00      34.791     -21.445      13.345   5.30 0.143 0.750 0.244 0.496     315.641     310.000       6.949   27 
-     40000        8000.00      28.017     -20.396       7.622   4.91 0.286 0.636 0.202 0.260     254.187     310.000       8.057   27 
-     50000       10000.00      25.889     -28.260      -2.371   3.19 0.214 0.727 0.455 0.791     234.880     310.000       6.904   27 
-     60000       12000.00      37.624     -25.437      12.187   3.10 0.429 0.667 0.374 0.504     341.346     310.000       6.454   27 
-     70000       14000.00      26.938     -22.819       4.119   6.04 0.071 0.909 0.277 0.442     244.397     310.000       7.605   27 
-     80000       16000.00      27.521     -16.162      11.359   4.12 0.143 0.750 0.318 0.287     249.682     310.000       6.949   27 
-     90000       18000.00      24.003     -16.828       7.175   3.15 0.357 0.545 0.244 0.604     217.765     310.000       6.901   27 
-    100000       20000.00      30.138     -21.617       8.522   2.94 0.357 0.643 0.289 0.343     273.428     310.000       6.628   27 
-    110000       22000.00      28.390     -29.876      -1.486   2.64 0.429 0.538 0.171 0.246     257.566     290.000       7.196   27 
-    120000       24000.00      31.328     -22.597       8.731   3.79 0.429 0.455 0.165 0.465     284.228     290.000       8.074   27 
-    130000       26000.00      30.791     -32.967      -2.176   2.60 0.214 0.700 0.241 0.453     279.349     290.000       6.802   27 
-    140000       28000.00      29.227     -30.615      -1.389   2.88 0.286 0.636 0.264 0.637     265.158     290.000       7.207   27 
-    150000       30000.00      31.583     -22.690       8.893   2.96 0.286 0.636 0.264 0.863     286.539     290.000       6.680   27 
-    160000       32000.00      24.389     -32.371      -7.983   2.94 0.429 0.600 0.200 0.288     221.265     290.000       7.074   27 
-    170000       34000.00      24.929     -36.735     -11.807   2.49 0.357 0.615 0.210 0.315     226.168     290.000       6.873   27 
-    180000       36000.00      34.175     -22.127      12.048   2.77 0.214 0.700 0.336 0.625     310.053     290.000       7.028   27 
-    190000       38000.00      33.836     -18.400      15.436   3.06 0.286 0.733 0.376 0.399     306.979     290.000       6.836   27 
-    200000       40000.00      23.798     -24.190      -0.393   3.36 0.214 0.769 0.203 0.452     215.906     290.000       7.243   27 
-    210000       42000.00      32.121     -32.231      -0.109   3.66 0.214 0.727 0.302 0.762     291.419     280.000       6.488   27 
-    220000       44000.00      24.459     -34.092      -9.633   2.93 0.286 0.733 0.267 0.609     221.908     280.000       6.871   27 
-    230000       46000.00      33.010     -29.269       3.741   3.11 0.429 0.400 0.168 0.613     299.484     280.000       7.490   27 
-    240000       48000.00      29.640     -40.351     -10.711   3.41 0.357 0.615 0.189 0.311     268.909     280.000       7.542   27 
-    250000       50000.00      29.076     -33.746      -4.670   2.24 0.429 0.571 0.253 0.425     263.793     280.000       6.805   27 
-    260000       52000.00      22.722     -34.376     -11.654   3.02 0.357 0.583 0.258 0.163     206.147     280.000       6.868   27 
-    270000       54000.00      32.142     -36.605      -4.463   2.74 0.429 0.538 0.252 0.353     291.609     280.000       6.744   27 
-    280000       56000.00      31.404     -38.991      -7.587   2.89 0.357 0.667 0.267 0.334     284.914     280.000       6.656   27 
-    290000       58000.00      22.420     -38.903     -16.483   2.73 0.357 0.667 0.267 0.412     203.406     280.000       6.928   27 
-    300000       60000.00      30.065     -37.042      -6.977   2.87 0.214 0.700 0.214 0.513     272.765     280.000       7.071   27 
-    310000       62000.00      21.971     -43.599     -21.629   2.52 0.286 0.692 0.241 0.386     199.328     270.000       6.603   27 
-    320000       64000.00      32.499     -39.211      -6.712   2.97 0.286 0.600 0.255 0.902     294.848     270.000       6.818   27 
-    330000       66000.00      28.007     -39.328     -11.320   2.69 0.429 0.455 0.194 0.772     254.095     270.000       7.026   27 
-    340000       68000.00      31.376     -39.884      -8.508   3.21 0.357 0.667 0.333 0.306     284.662     270.000       6.310   27 
-    350000       70000.00      26.928     -44.173     -17.245   2.98 0.214 0.750 0.250 0.823     244.307     270.000       6.372   27 
-    360000       72000.00      30.730     -28.797       1.932   2.98 0.286 0.600 0.318 0.287     278.795     270.000       6.707   27 
-    370000       74000.00      23.002     -46.636     -23.634   2.79 0.500 0.611 0.321 0.486     208.689     270.000       6.563   27 
-    380000       76000.00      34.158     -45.886     -11.728   3.49 0.286 0.765 0.313 0.748     309.896     270.000       6.187   27 
-    390000       78000.00      29.917     -47.287     -17.370   2.84 0.357 0.615 0.280 0.721     271.420     270.000       6.664   27 
-    400000       80000.00      30.645     -39.666      -9.020   3.62 0.357 0.706 0.313 0.805     278.031     270.000       6.265   27 
-    410000       82000.00      27.200     -46.326     -19.126   3.28 0.286 0.636 0.248 0.412     246.774     260.000       6.760   27 
-    420000       84000.00      25.824     -36.638     -10.814   3.49 0.429 0.538 0.203 0.267     234.285     260.000       7.176   27 
-    430000       86000.00      32.390     -41.305      -8.915   3.17 0.286 0.667 0.239 1.153     293.863     260.000       6.800   27 
-    440000       88000.00      29.887     -49.775     -19.888   2.69 0.357 0.643 0.224 0.448     271.146     260.000       6.712   27 
-    450000       90000.00      27.068     -48.261     -21.193   3.00 0.357 0.643 0.289 0.265     245.578     260.000       6.355   27 
-    460000       92000.00      26.182     -52.617     -26.434   2.83 0.286 0.692 0.231 0.171     237.540     260.000       6.980   27 
-    470000       94000.00      30.818     -44.986     -14.169   2.67 0.286 0.692 0.238 0.356     279.595     260.000       6.581   27 
-    480000       96000.00      27.509     -45.370     -17.860   2.95 0.286 0.714 0.231 0.565     249.578     260.000       6.583   27 
-    490000       98000.00      22.970     -49.774     -26.804   2.87 0.286 0.714 0.234 0.267     208.392     260.000       6.774   27 
-    500000      100000.00      26.793     -44.419     -17.627   3.08 0.357 0.737 0.330 0.212     243.076     260.000       6.358   27 
-    510000      102000.00      33.797     -46.014     -12.217   2.94 0.357 0.722 0.333 0.559     306.622     260.000       6.214   27 
-    520000      104000.00      36.976     -48.257     -11.281   2.58 0.286 0.600 0.214 0.702     335.461     260.000       7.110   27 
-    530000      106000.00      22.113     -48.647     -26.533   2.27 0.357 0.643 0.256 0.217     200.624     260.000       6.931   27 
-    540000      108000.00      24.687     -44.297     -19.610   3.06 0.429 0.538 0.178 0.659     223.975     260.000       7.269   27 
-    550000      110000.00      29.029     -48.828     -19.799   2.54 0.214 0.769 0.252 0.377     263.363     260.000       6.406   27 
-    560000      112000.00      26.562     -53.199     -26.637   2.65 0.286 0.733 0.327 0.423     240.981     260.000       6.709   27 
-    570000      114000.00      24.350     -50.136     -25.786   2.34 0.429 0.625 0.301 0.186     220.920     260.000       6.415   27 
-    580000      116000.00      23.000     -47.391     -24.391   2.78 0.500 0.588 0.326 0.585     208.671     260.000       6.595   27 
-    590000      118000.00      29.409     -42.606     -13.196   3.27 0.357 0.706 0.348 0.696     266.817     260.000       6.385   27 
-    600000      120000.00      26.523     -49.319     -22.796   2.78 0.357 0.643 0.312 0.710     240.632     260.000       6.623   27 
-    610000      122000.00      24.078     -46.550     -22.473   2.72 0.571 0.529 0.243 0.538     218.444     260.000       7.053   27 
-    620000      124000.00      22.362     -54.712     -32.350   2.64 0.357 0.643 0.331 0.619     202.883     260.000       6.510   27 
-    630000      126000.00      28.441     -50.570     -22.128   2.73 0.500 0.462 0.273 0.456     258.036     260.000       6.698   27 
-    640000      128000.00      28.743     -47.309     -18.566   2.78 0.500 0.462 0.269 0.490     260.772     260.000       6.982   27 
-    650000      130000.00      19.870     -47.241     -27.371   2.97 0.429 0.500 0.189 0.408     180.269     260.000       7.265   27 
-    660000      132000.00      28.639     -44.827     -16.188   2.40 0.357 0.643 0.250 0.822     259.827     260.000       6.679   27 
-    670000      134000.00      26.902     -54.094     -27.191   2.80 0.357 0.688 0.378 1.009     244.073     260.000       6.208   27 
-    680000      136000.00      35.095     -46.814     -11.719   2.94 0.429 0.667 0.230 1.152     318.397     260.000       6.573   27 
-    690000      138000.00      32.486     -51.294     -18.808   2.63 0.357 0.667 0.255 0.754     294.728     260.000       6.679   27 
-    700000      140000.00      23.380     -49.573     -26.193   2.63 0.429 0.571 0.201 0.514     212.115     260.000       6.979   27 
-    710000      142000.00      22.152     -51.083     -28.931   3.01 0.429 0.538 0.238 0.318     200.975     260.000       6.771   27 
-    720000      144000.00      30.323     -50.832     -20.510   2.51 0.500 0.300 0.177 0.340     275.103     260.000       6.862   27 
-    730000      146000.00      28.062     -50.620     -22.558   2.39 0.357 0.667 0.264 0.258     254.590     260.000       6.811   27 
-    740000      148000.00      32.817     -46.525     -13.708   3.50 0.571 0.500 0.287 1.137     297.735     260.000       6.712   27 
-    750000      150000.00      34.299     -46.651     -12.352   3.37 0.357 0.545 0.190 0.317     311.174     260.000       7.201   27 
-    760000      152000.00      27.934     -49.604     -21.670   3.14 0.357 0.545 0.182 0.877     253.427     260.000       7.314   27 
-    770000      154000.00      26.910     -53.200     -26.290   2.85 0.429 0.625 0.312 0.892     244.143     260.000       6.365   27 
-    780000      156000.00      25.292     -45.168     -19.876   3.22 0.357 0.545 0.169 0.668     229.460     260.000       7.514   27 
-    790000      158000.00      27.282     -52.060     -24.778   2.67 0.357 0.583 0.261 0.517     247.514     260.000       6.657   27 
-    800000      160000.00      26.041     -55.084     -29.043   2.72 0.500 0.500 0.231 0.373     236.258     260.000       6.693   27 
-    810000      162000.00      27.686     -51.953     -24.267   2.61 0.429 0.538 0.185 0.346     251.184     250.000       7.152   27 
-    820000      164000.00      19.836     -57.000     -37.164   2.63 0.286 0.692 0.248 0.598     179.960     250.000       6.692   27 
-    830000      166000.00      22.857     -55.509     -32.652   2.79 0.357 0.615 0.231 0.541     207.371     250.000       7.034   27 
-    840000      168000.00      29.534     -47.929     -18.394   3.05 0.357 0.643 0.179 0.739     267.951     250.000       7.534   27 
-    850000      170000.00      27.985     -55.249     -27.264   2.79 0.357 0.643 0.224 0.746     253.893     250.000       6.897   27 
-    860000      172000.00      19.807     -51.874     -32.068   2.74 0.429 0.600 0.318 0.676     179.695     250.000       6.208   27 
-    870000      174000.00      27.865     -58.479     -30.614   2.71 0.357 0.706 0.334 0.440     252.802     250.000       6.357   27 
-    880000      176000.00      20.594     -55.528     -34.934   2.56 0.500 0.562 0.264 0.774     186.843     250.000       6.185   27 
-    890000      178000.00      25.920     -54.983     -29.064   2.39 0.643 0.438 0.253 0.646     235.157     250.000       6.690   27 
-    900000      180000.00      19.775     -54.122     -34.346   2.74 0.357 0.643 0.227 0.522     179.410     250.000       6.525   27 
-    910000      182000.00      28.220     -45.896     -17.676   3.03 0.357 0.722 0.321 0.370     256.023     260.000       6.318   27 
-    920000      184000.00      21.996     -53.558     -31.561   2.51 0.429 0.500 0.170 0.373     199.562     260.000       7.190   27 
-    930000      186000.00      29.517     -47.326     -17.809   2.73 0.357 0.643 0.244 0.628     267.790     260.000       6.838   27 
-    940000      188000.00      25.006     -47.999     -22.993   3.12 0.286 0.636 0.215 0.283     226.868     260.000       7.017   27 
-    950000      190000.00      28.630     -39.495     -10.865   3.07 0.286 0.636 0.264 0.341     259.746     260.000       6.305   27 
-    960000      192000.00      23.075     -51.260     -28.185   3.31 0.357 0.762 0.385 0.234     209.346     260.000       6.494   27 
-    970000      194000.00      21.371     -42.104     -20.733   2.82 0.286 0.692 0.315 0.249     193.893     260.000       6.770   27 
-    980000      196000.00      25.057     -43.208     -18.151   3.42 0.357 0.737 0.342 0.861     227.333     260.000       6.284   27 
-    990000      198000.00      20.679     -50.666     -29.987   2.75 0.286 0.636 0.244 0.576     187.609     260.000       6.572   27 
-   1000000      200000.00      29.773     -45.581     -15.809   2.85 0.429 0.647 0.262 0.789     270.113     260.000       6.492   27 
+         0           0.00      41.284     112.708     153.991  12.87 0.000   NaN   NaN 4.850     374.547     380.000      15.552   27 
+     10000        2000.00      39.201      -0.757      38.443   5.04 0.000 1.000 0.336 0.388     355.650     380.000       7.290   27 
+     20000        4000.00      44.440       1.236      45.675   5.60 0.000 1.000 0.227 1.212     403.179     380.000       7.921   27 
+     30000        6000.00      39.167      21.297      60.465   6.90 0.071 0.667 0.167 0.407     355.347     380.000       9.324   27 
+     40000        8000.00      34.990       5.583      40.573   4.58 0.071 0.833 0.553 0.454     317.450     380.000       7.756   27 
+     50000       10000.00      34.188      15.703      49.892   6.73 0.000   NaN   NaN 0.554     310.175     380.000      10.947   27 
+     60000       12000.00      46.234      23.061      69.295   8.13 0.143 0.333 0.167 0.374     419.458     380.000      10.867   27 
+     70000       14000.00      37.163       2.686      39.849   6.77 0.000 1.000 0.273 0.478     337.162     380.000      11.013   27 
+     80000       16000.00      31.305       9.122      40.427   7.78 0.071 0.667 0.167 0.691     284.020     380.000      11.254   27 
+     90000       18000.00      33.631      17.437      51.068   8.48 0.071 0.000 0.182 0.354     305.120     380.000      12.491   27 
+    100000       20000.00      36.365      15.932      52.297   8.15 0.000 1.000 0.295 0.670     329.918     380.000      10.399   27 
+    110000       22000.00      39.981       2.959      42.940   8.16 0.071 0.500 0.159 0.173     362.729     380.000       9.948   27 
+    120000       24000.00      39.673      10.277      49.950   4.11 0.143 0.600 0.227 0.319     359.936     380.000       7.514   27 
+    130000       26000.00      42.557      13.916      56.473   6.69 0.000 1.000 0.182 0.454     386.097     380.000       9.155   27 
+    140000       28000.00      36.579       6.555      43.135   6.68 0.000 1.000 0.432 0.745     331.867     380.000       8.208   27 
+    150000       30000.00      44.426       9.371      53.797   7.61 0.071 0.800 0.200 0.391     403.055     380.000       8.228   27 
+    160000       32000.00      32.446       2.491      34.937   6.48 0.071 0.500 0.182 0.364     294.366     380.000      10.316   27 
+    170000       34000.00      34.207      12.586      46.793   5.96 0.071 0.833 0.288 0.307     310.343     380.000       7.963   27 
+    180000       36000.00      47.362       8.128      55.490   7.64 0.071 0.500 0.159 0.665     429.694     380.000      11.744   27 
+    190000       38000.00      43.277      16.147      59.424   7.72 0.071 0.667 0.303 0.463     392.633     380.000       9.328   27 
+    200000       40000.00      31.537       1.373      32.910   5.45 0.214 0.571 0.195 0.512     286.118     380.000       9.576   27 
+    210000       42000.00      43.236      12.896      56.132   7.48 0.000 1.000 0.258 1.044     392.262     380.000      10.072   27 
+    220000       44000.00      35.005       5.548      40.552   8.14 0.071 0.500 0.182 0.386     317.580     380.000      10.754   27 
+    230000       46000.00      42.076      12.039      54.115   7.65 0.071 0.800 0.218 1.003     381.736     380.000      10.876   27 
+    240000       48000.00      42.655       6.470      49.125   6.22 0.000 1.000 0.291 0.455     386.988     380.000       8.875   27 
+    250000       50000.00      38.106      -0.932      37.174   7.31 0.071 0.857 0.266 0.612     345.718     380.000       7.913   27 
+    260000       52000.00      28.633      13.600      42.233   5.05 0.214 0.667 0.283 0.269     259.772     380.000       7.650   27 
+    270000       54000.00      48.236       6.054      54.289   4.46 0.071 0.800 0.336 0.618     437.618     380.000       8.068   27 
+    280000       56000.00      41.843      11.289      53.132   7.42 0.071 0.833 0.311 0.937     379.622     380.000       8.779   27 
+    290000       58000.00      31.252       7.715      38.968   6.78 0.143 0.600 0.273 0.419     283.537     380.000       8.014   27 
+    300000       60000.00      38.302       9.192      47.494   4.92 0.214 0.500 0.227 0.834     347.497     380.000       8.208   27 
+    310000       62000.00      30.752      -2.151      28.601   5.30 0.214 0.500 0.326 0.443     278.996     370.000       7.538   27 
+    320000       64000.00      42.098       3.269      45.367   6.26 0.000 1.000 0.364 0.360     381.931     370.000       8.392   27 
+    330000       66000.00      37.888       5.244      43.132  10.94 0.071 0.000 0.136 0.731     343.735     370.000      14.564   27 
+    340000       68000.00      41.081       6.507      47.587   6.60 0.071 0.833 0.205 0.234     372.706     370.000       9.485   27 
+    350000       70000.00      36.096       7.333      43.429   3.70 0.143 0.667 0.356 0.695     327.482     370.000       7.968   27 
+    360000       72000.00      44.595       6.954      51.549   5.08 0.214 0.667 0.303 1.185     404.586     370.000       7.231   27 
+    370000       74000.00      29.341      16.636      45.978   9.35 0.000 1.000 0.227 0.635     266.200     370.000      11.473   27 
+    380000       76000.00      39.922      -0.483      39.439   5.72 0.071 0.750 0.193 0.780     362.190     370.000       8.645   27 
+    390000       78000.00      37.990      -1.205      36.784   4.84 0.071 0.800 0.164 1.092     344.662     370.000       9.076   27 
+    400000       80000.00      44.509      11.251      55.760   6.84 0.143 0.500 0.159 1.082     403.805     370.000       9.446   27 
+    410000       82000.00      40.175      12.115      52.290   7.81 0.000 1.000 0.197 0.397     364.489     400.000      11.219   27 
+    420000       84000.00      39.088      13.292      52.380  10.20 0.071 0.750 0.170 0.391     354.624     400.000      12.627   27 
+    430000       86000.00      53.357      -0.945      52.411   5.30 0.071 0.800 0.345 0.693     484.080     400.000       7.881   27 
+    440000       88000.00      42.451      17.939      60.390   6.57 0.071 0.000 0.136 0.811     385.135     400.000      11.634   27 
+    450000       90000.00      40.350       5.792      46.143   6.98 0.071 0.667 0.182 1.034     366.080     400.000      10.684   27 
+    460000       92000.00      37.493       6.025      43.518   4.78 0.071 0.833 0.424 0.958     340.155     400.000       8.183   27 
+    470000       94000.00      46.160       6.768      52.928   3.94 0.071 0.800 0.209 0.763     418.791     400.000       8.289   27 
+    480000       96000.00      41.503      17.927      59.430   8.70 0.000 1.000 0.273 0.500     376.536     400.000      12.968   27 
+    490000       98000.00      37.525      12.225      49.750   6.75 0.000 1.000 0.318 0.847     340.450     400.000       8.699   27 
+    500000      100000.00      42.998      14.375      57.373   7.53 0.000 1.000 0.136 0.552     390.097     400.000      10.973   27 
+    510000      102000.00      49.278      15.710      64.988   9.79 0.000 1.000 0.136 0.906     447.080     380.000      13.198   27 
+    520000      104000.00      49.907       9.621      59.528   5.39 0.071 0.833 0.265 1.505     452.781     380.000       9.177   27 
+    530000      106000.00      28.121       9.821      37.942   5.20 0.143 0.778 0.338 0.575     255.128     380.000       7.153   27 
+    540000      108000.00      34.971       9.678      44.649   5.95 0.143 0.714 0.305 0.697     317.274     380.000       7.535   27 
+    550000      110000.00      44.294       8.598      52.891   5.29 0.143 0.333 0.303 0.660     401.857     380.000       9.294   27 
+    560000      112000.00      41.707      10.179      51.886   3.62 0.071 0.750 0.330 0.347     378.385     380.000       8.425   27 
+    570000      114000.00      32.230       5.831      38.062   6.45 0.143 0.714 0.227 0.393     292.410     380.000       7.605   27 
+    580000      116000.00      35.940      12.884      48.824  10.53 0.071 0.000 0.136 0.541     326.066     380.000      12.876   27 
+    590000      118000.00      43.192      14.706      57.898   4.96 0.143 0.667 0.265 0.894     391.860     380.000       9.403   27 
+    600000      120000.00      43.782       5.393      49.175   6.24 0.071 0.667 0.212 1.006     397.211     380.000       8.645   27 
+    610000      122000.00      36.581       4.678      41.258   7.45 0.071 0.800 0.227 0.624     331.881     370.000      10.338   27 
+    620000      124000.00      32.814       2.334      35.148   5.05 0.071 0.667 0.212 0.465     297.706     370.000       8.591   27 
+    630000      126000.00      33.490       3.678      37.168   5.55 0.143 0.667 0.288 0.932     303.838     370.000       8.796   27 
+    640000      128000.00      40.155       7.891      48.046   6.16 0.000 1.000 0.227 0.440     364.310     370.000       7.873   27 
+    650000      130000.00      34.119       6.418      40.536   7.30 0.143 0.500 0.159 0.483     309.543     370.000       8.490   27 
+    660000      132000.00      39.011      10.572      49.583   5.17 0.000 1.000 0.318 0.567     353.930     370.000       8.770   27 
+    670000      134000.00      36.046       1.574      37.620   6.37 0.071 0.857 0.299 0.797     327.029     370.000       8.046   27 
+    680000      136000.00      49.691      17.818      67.509   6.96 0.143 0.600 0.255 0.629     450.821     370.000       8.304   27 
+    690000      138000.00      45.360       4.553      49.913   5.46 0.071 0.800 0.191 0.484     411.530     370.000       7.381   27 
+    700000      140000.00      34.225      14.777      49.002   5.50 0.214 0.400 0.191 0.497     310.503     370.000       9.163   27 
+    710000      142000.00      35.533       9.544      45.077   5.06 0.071 0.800 0.409 0.703     322.371     390.000       7.848   27 
+    720000      144000.00      47.355       9.393      56.748  11.78 0.000 1.000 0.136 0.512     429.632     390.000      15.168   27 
+    730000      146000.00      38.177       7.875      46.052   6.67 0.143 0.667 0.189 0.628     346.362     390.000      10.222   27 
+    740000      148000.00      48.788      16.451      65.239   6.30 0.071 0.750 0.193 1.222     442.633     390.000       8.740   27 
+    750000      150000.00      53.301       5.762      59.063   8.14 0.143 0.600 0.255 0.445     483.577     390.000       9.734   27 
+    760000      152000.00      43.652       6.317      49.970   5.58 0.071 0.800 0.245 1.033     396.035     390.000       8.774   27 
+    770000      154000.00      42.792       7.683      50.475   6.47 0.000 1.000 0.273 0.777     388.231     390.000       7.692   27 
+    780000      156000.00      37.624      21.123      58.747   6.68 0.071 0.667 0.394 0.383     341.346     390.000       8.698   27 
+    790000      158000.00      42.181       7.355      49.536   5.07 0.071 0.750 0.193 0.142     382.688     390.000       8.128   27 
+    800000      160000.00      38.515       9.225      47.740   8.42 0.143 0.600 0.155 0.426     349.425     390.000      12.123   27 
+    810000      162000.00      44.842       4.134      48.976   6.57 0.071 0.857 0.370 0.506     406.829     390.000       7.053   27 
+    820000      164000.00      35.490       8.469      43.960   8.40 0.071 0.500 0.159 0.767     321.986     390.000      11.841   27 
+    830000      166000.00      35.110       8.611      43.721   5.73 0.071 0.800 0.318 0.796     318.534     390.000       7.860   27 
+    840000      168000.00      48.475      18.387      66.862   6.23 0.071 0.667 0.333 0.436     439.794     390.000       9.331   27 
+    850000      170000.00      46.861      18.908      65.769   7.18 0.000 1.000 0.280 0.295     425.149     390.000       9.743   27 
+    860000      172000.00      33.293      18.221      51.514   5.14 0.071 0.000 0.727 0.792     302.049     390.000       8.951   27 
+    870000      174000.00      44.368       9.408      53.776   8.66 0.000 1.000 0.152 0.587     402.528     390.000      10.984   27 
+    880000      176000.00      35.307       8.747      44.054   5.38 0.071 0.750 0.205 0.416     320.323     390.000       8.703   27 
+    890000      178000.00      41.071       6.564      47.634   7.80 0.071 0.750 0.205 1.012     372.613     390.000       9.924   27 
+    900000      180000.00      33.729      13.060      46.790   7.81 0.000 1.000 0.197 0.416     306.010     390.000      10.309   27 
+    910000      182000.00      41.386       5.316      46.702   5.32 0.143 0.333 0.152 0.921     375.472     390.000       9.420   27 
+    920000      184000.00      37.687      13.030      50.717   5.37 0.000 1.000 0.193 0.894     341.916     390.000       8.390   27 
+    930000      186000.00      43.415       7.603      51.019   9.16 0.071 0.500 0.182 0.266     393.885     390.000      12.339   27 
+    940000      188000.00      37.279      16.824      54.104   6.58 0.000 1.000 0.159 0.208     338.218     390.000       9.958   27 
+    950000      190000.00      40.446       9.723      50.169   7.74 0.000 1.000 0.386 0.667     366.950     390.000       9.814   27 
+    960000      192000.00      35.348      14.913      50.260   6.25 0.071 0.750 0.295 0.413     320.691     390.000       9.637   27 
+    970000      194000.00      31.338      15.462      46.800   8.66 0.000 1.000 0.242 0.830     284.315     390.000      11.604   27 
+    980000      196000.00      40.293      12.695      52.988   5.02 0.071 0.667 0.288 0.955     365.563     390.000       8.211   27 
+    990000      198000.00      29.569       8.865      38.434   4.95 0.143 0.600 0.400 0.402     268.268     390.000       8.248   27 
+   1000000      200000.00      46.712      13.251      59.963   8.34 0.000   NaN   NaN 0.218     423.800     390.000      11.920   27 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat
index 9f1d4fd..0efc16d 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat
@@ -1,101 +1,101 @@
-         0           0.00      34.525     114.373     148.898  12.87 0.000   NaN   NaN 4.850     313.225     320.000      15.552   28 
-     10000        2000.00      33.429      -8.301      25.128   6.65 0.000 1.000 0.432 0.846     303.289     320.000       8.784   28 
-     20000        4000.00      28.727     -14.873      13.854   6.15 0.071 0.875 0.239 0.350     260.629     320.000       7.712   28 
-     30000        6000.00      33.767     -17.489      16.278   3.67 0.214 0.667 0.273 0.472     306.349     320.000       7.209   28 
-     40000        8000.00      28.581      -1.561      27.020   7.53 0.214 0.667 0.187 0.414     259.304     320.000       9.094   28 
-     50000       10000.00      30.914     -10.361      20.553   6.00 0.143 0.000 0.159 0.427     280.464     320.000       9.997   28 
-     60000       12000.00      33.002     -12.059      20.943   3.80 0.071 0.909 0.289 0.708     299.414     320.000       7.176   28 
-     70000       14000.00      33.374     -11.810      21.563   2.81 0.286 0.636 0.314 0.766     302.783     320.000       7.301   28 
-     80000       16000.00      33.073     -15.361      17.712   3.64 0.214 0.625 0.199 0.709     300.059     320.000       7.763   28 
-     90000       18000.00      37.584      -8.963      28.621   4.58 0.071 0.875 0.216 1.109     340.983     320.000       7.690   28 
-    100000       20000.00      27.106      -8.861      18.245   3.80 0.286 0.714 0.299 0.563     245.919     320.000       6.787   28 
-    110000       22000.00      31.561     -15.714      15.847   4.71 0.214 0.700 0.336 0.329     286.340     330.000       6.544   28 
-    120000       24000.00      29.840     -18.195      11.645   6.84 0.214 0.571 0.221 0.817     270.726     330.000       8.319   28 
-    130000       26000.00      28.222     -11.656      16.566   5.20 0.286 0.667 0.277 0.400     256.041     330.000       6.531   28 
-    140000       28000.00      30.753      -2.168      28.585   6.26 0.214 0.400 0.209 0.672     279.010     330.000       9.389   28 
-    150000       30000.00      34.589      -4.555      30.034   6.69 0.214 0.700 0.227 0.394     313.810     330.000       7.894   28 
-    160000       32000.00      36.090       3.509      39.600   6.36 0.071 0.889 0.273 0.889     327.431     330.000       7.879   28 
-    170000       34000.00      35.156     -10.439      24.717   4.20 0.071 0.900 0.250 0.643     318.954     330.000       6.917   28 
-    180000       36000.00      40.512      -3.967      36.544   4.74 0.071 0.857 0.234 0.268     367.542     330.000       8.081   28 
-    190000       38000.00      44.774      -2.817      41.957   4.81 0.071 0.875 0.250 1.080     406.217     330.000       7.902   28 
-    200000       40000.00      34.174      -7.408      26.765   4.46 0.214 0.700 0.200 0.209     310.040     330.000       7.923   28 
-    210000       42000.00      40.270     -13.084      27.186   4.48 0.214 0.700 0.209 1.536     365.354     330.000       7.166   28 
-    220000       44000.00      35.003     -12.105      22.899   6.89 0.214 0.700 0.286 0.615     317.568     330.000       7.758   28 
-    230000       46000.00      40.338     -18.410      21.928   4.11 0.214 0.400 0.327 0.258     365.964     330.000       7.665   28 
-    240000       48000.00      28.957      -4.710      24.247   5.62 0.143 0.714 0.312 0.534     262.712     330.000       8.232   28 
-    250000       50000.00      31.406      -6.851      24.555   6.66 0.214 0.786 0.237 0.466     284.932     330.000       7.520   28 
-    260000       52000.00      33.713       5.303      39.015   5.29 0.000 1.000 0.409 0.503     305.858     330.000       8.415   28 
-    270000       54000.00      43.930       1.863      45.792   5.99 0.071 0.833 0.212 0.663     398.555     330.000       8.050   28 
-    280000       56000.00      37.398     -13.265      24.132   5.82 0.000 1.000 0.191 0.877     339.290     330.000       8.658   28 
-    290000       58000.00      28.870      -9.446      19.424   4.40 0.286 0.556 0.263 0.816     261.921     330.000       6.745   28 
-    300000       60000.00      32.311      -1.703      30.607   5.38 0.071 0.833 0.250 0.315     293.139     330.000       8.000   28 
-    310000       62000.00      39.010      -0.693      38.317   7.28 0.143 0.750 0.273 0.822     353.919     340.000       7.380   28 
-    320000       64000.00      37.744      -5.918      31.826   6.19 0.071 0.923 0.294 0.659     342.432     340.000       7.590   28 
-    330000       66000.00      32.309      -6.971      25.339   5.33 0.143 0.750 0.210 0.520     293.128     340.000       7.753   28 
-    340000       68000.00      32.812     -14.841      17.971   4.20 0.071 0.909 0.207 0.662     297.683     340.000       7.794   28 
-    350000       70000.00      33.794       0.343      34.137   3.62 0.357 0.167 0.250 0.432     306.597     340.000       7.337   28 
-    360000       72000.00      33.157       3.702      36.859   5.67 0.000 1.000 0.447 0.964     300.818     340.000       7.061   28 
-    370000       74000.00      33.559      -1.653      31.906   3.66 0.000 1.000 0.216 1.017     304.463     340.000       8.482   28 
-    380000       76000.00      37.988       0.098      38.086   6.43 0.071 0.833 0.417 0.895     344.647     340.000       7.386   28 
-    390000       78000.00      44.638      -2.946      41.692   7.47 0.071 0.833 0.197 0.978     404.980     340.000       9.902   28 
-    400000       80000.00      30.052      -0.016      30.036   5.20 0.143 0.750 0.278 0.238     272.647     340.000       7.698   28 
-    410000       82000.00      31.226      -4.891      26.335   4.67 0.071 0.750 0.239 0.680     283.297     340.000       7.529   28 
-    420000       84000.00      24.705       0.643      25.347   4.95 0.000 1.000 0.318 0.494     224.132     340.000       7.589   28 
-    430000       86000.00      33.521      -0.487      33.033   3.33 0.071 0.750 0.227 0.345     304.117     340.000       8.053   28 
-    440000       88000.00      33.300      -5.211      28.089   3.99 0.000 1.000 0.442 0.526     302.111     340.000       6.995   28 
-    450000       90000.00      28.689      -4.102      24.587   3.20 0.357 0.643 0.286 0.593     260.278     340.000       6.968   28 
-    460000       92000.00      38.824       9.046      47.871   6.94 0.000 1.000 0.197 1.023     352.235     340.000      10.818   28 
-    470000       94000.00      36.407      -0.664      35.743   5.68 0.071 0.800 0.427 0.503     330.304     340.000       8.063   28 
-    480000       96000.00      29.597      -8.359      21.238   6.82 0.214 0.400 0.173 0.356     268.515     340.000      10.292   28 
-    490000       98000.00      31.977      -5.936      26.041   6.08 0.000 1.000 0.260 0.397     290.108     340.000       7.201   28 
-    500000      100000.00      31.872      -8.325      23.546   6.66 0.214 0.700 0.223 0.566     289.155     340.000       8.325   28 
-    510000      102000.00      41.988      -2.648      39.340   4.96 0.143 0.500 0.182 0.587     380.940     340.000       8.273   28 
-    520000      104000.00      43.105      -2.857      40.249   4.68 0.071 0.900 0.268 0.566     391.075     340.000       7.631   28 
-    530000      106000.00      37.459       0.432      37.892   6.57 0.143 0.600 0.182 0.634     339.851     340.000       9.290   28 
-    540000      108000.00      32.001      -8.363      23.638   3.47 0.643 0.308 0.329 0.465     290.331     340.000       6.914   28 
-    550000      110000.00      39.331       8.975      48.306   6.70 0.000   NaN   NaN 0.562     356.835     340.000       8.533   28 
-    560000      112000.00      32.689       3.973      36.662   8.49 0.000 1.000 0.205 0.352     296.574     340.000      12.025   28 
-    570000      114000.00      41.256      -2.866      38.390   5.45 0.071 0.667 0.182 0.150     374.299     340.000       9.425   28 
-    580000      116000.00      41.389      -2.642      38.747   4.53 0.071 0.750 0.193 0.280     375.503     340.000       8.400   28 
-    590000      118000.00      33.438      -1.114      32.324   4.73 0.214 0.500 0.197 0.853     303.370     340.000       7.708   28 
-    600000      120000.00      31.992       0.098      32.090   6.68 0.071 0.857 0.162 0.234     290.251     340.000       9.137   28 
-    610000      122000.00      31.883     -16.438      15.445   3.89 0.357 0.615 0.308 0.552     289.259     320.000       7.619   28 
-    620000      124000.00      30.024       7.888      37.912   8.20 0.071 0.800 0.182 0.769     272.389     320.000      10.123   28 
-    630000      126000.00      29.202     -10.856      18.346   6.75 0.143 0.667 0.364 0.528     264.932     320.000       7.265   28 
-    640000      128000.00      27.979      -3.511      24.468   4.17 0.357 0.583 0.246 0.447     253.842     320.000       7.954   28 
-    650000      130000.00      31.432     -11.592      19.840   5.38 0.000 1.000 0.331 0.773     285.170     320.000       7.037   28 
-    660000      132000.00      34.279     -11.519      22.760   5.95 0.214 0.667 0.268 0.259     310.995     320.000       7.738   28 
-    670000      134000.00      23.698      -9.565      14.134   3.63 0.214 0.625 0.222 0.562     215.003     320.000       7.553   28 
-    680000      136000.00      35.473     -22.261      13.212   2.83 0.214 0.700 0.286 0.620     321.830     320.000       7.030   28 
-    690000      138000.00      27.612     -12.184      15.427   4.44 0.143 0.800 0.200 0.548     250.507     320.000       8.209   28 
-    700000      140000.00      37.098     -11.801      25.296   5.82 0.071 0.889 0.263 1.113     336.570     320.000       7.493   28 
-    710000      142000.00      33.687     -17.146      16.541   3.83 0.214 0.700 0.327 0.680     305.629     310.000       6.867   28 
-    720000      144000.00      27.256      -6.064      21.192   3.47 0.143 0.778 0.268 0.730     247.280     310.000       6.986   28 
-    730000      146000.00      32.329     -22.543       9.786   3.01 0.286 0.600 0.168 0.170     293.309     310.000       7.194   28 
-    740000      148000.00      26.409     -13.525      12.884   6.56 0.286 0.692 0.234 0.208     239.596     310.000       6.689   28 
-    750000      150000.00      28.193      -4.794      23.399   4.02 0.000 1.000 0.227 0.407     255.783     310.000       8.012   28 
-    760000      152000.00      35.001     -17.455      17.547   6.78 0.286 0.636 0.207 0.441     317.551     310.000       7.715   28 
-    770000      154000.00      31.838     -20.055      11.783   3.76 0.286 0.667 0.269 0.264     288.847     310.000       6.536   28 
-    780000      156000.00      32.412     -14.516      17.896   3.63 0.214 0.625 0.216 0.971     294.060     310.000       7.229   28 
-    790000      158000.00      31.539     -29.673       1.866   3.52 0.286 0.714 0.295 0.989     286.134     310.000       6.394   28 
-    800000      160000.00      42.121     -21.785      20.336   2.66 0.357 0.545 0.198 0.896     382.144     310.000       7.282   28 
-    810000      162000.00      32.320     -24.705       7.615   3.18 0.286 0.692 0.255 1.137     293.220     300.000       6.703   28 
-    820000      164000.00      37.701     -28.171       9.530   3.99 0.500 0.500 0.351 0.573     342.047     300.000       6.161   28 
-    830000      166000.00      30.709     -29.517       1.192   4.14 0.286 0.667 0.341 0.667     278.612     300.000       6.498   28 
-    840000      168000.00      25.814     -25.402       0.412   3.33 0.286 0.733 0.327 0.589     234.194     300.000       6.677   28 
-    850000      170000.00      30.990      -7.389      23.601   6.16 0.214 0.571 0.169 1.185     281.154     300.000       8.444   28 
-    860000      172000.00      29.122     -33.081      -3.959   2.66 0.357 0.615 0.308 0.314     264.212     300.000       6.813   28 
-    870000      174000.00      24.927     -33.591      -8.664   2.88 0.429 0.571 0.256 0.248     226.151     300.000       7.060   28 
-    880000      176000.00      29.651     -26.846       2.804   3.21 0.214 0.667 0.172 0.255     269.006     300.000       7.245   28 
-    890000      178000.00      33.027     -23.277       9.750   2.75 0.214 0.250 0.159 0.348     299.635     300.000       7.324   28 
-    900000      180000.00      22.788     -12.577      10.210   3.66 0.214 0.727 0.190 0.383     206.741     300.000       7.699   28 
-    910000      182000.00      32.741     -23.799       8.942   3.67 0.214 0.786 0.292 0.560     297.042     300.000       6.548   28 
-    920000      184000.00      31.322     -18.391      12.931   4.16 0.143 0.750 0.205 0.527     284.173     300.000       7.061   28 
-    930000      186000.00      33.426     -28.206       5.220   3.56 0.143 0.882 0.364 0.363     303.262     300.000       6.171   28 
-    940000      188000.00      24.550     -28.788      -4.237   2.83 0.286 0.714 0.305 0.488     222.734     300.000       6.817   28 
-    950000      190000.00      32.889     -23.254       9.635   2.71 0.357 0.500 0.291 0.305     298.387     300.000       6.591   28 
-    960000      192000.00      35.353     -13.482      21.871   6.36 0.214 0.667 0.172 0.676     320.741     300.000       8.328   28 
-    970000      194000.00      37.457     -23.921      13.536   2.49 0.357 0.583 0.261 0.759     339.830     300.000       7.740   28 
-    980000      196000.00      27.634     -18.739       8.895   4.43 0.143 0.818 0.211 0.213     250.712     300.000       7.695   28 
-    990000      198000.00      37.462     -31.986       5.476   2.82 0.357 0.500 0.177 0.430     339.874     300.000       7.234   28 
-   1000000      200000.00      23.417     -32.696      -9.279   2.61 0.357 0.583 0.205 0.249     212.448     300.000       7.179   28 
+         0           0.00      42.077     112.507     154.584  12.87 0.000   NaN   NaN 4.850     381.743     390.000      15.552   28 
+     10000        2000.00      40.196       9.220      49.416   5.86 0.214 0.500 0.174 0.990     364.679     390.000       9.295   28 
+     20000        4000.00      35.016      12.315      47.331   5.69 0.000 1.000 0.182 0.651     317.686     390.000       9.469   28 
+     30000        6000.00      39.865       6.960      46.825   5.90 0.071 0.667 0.182 1.044     361.671     390.000       9.082   28 
+     40000        8000.00      32.924      11.572      44.497   8.98 0.000 1.000 0.250 0.359     298.705     390.000      11.338   28 
+     50000       10000.00      37.904      19.424      57.328   6.08 0.071 0.667 0.273 0.328     343.883     390.000       8.638   28 
+     60000       12000.00      42.188      12.227      54.414   7.54 0.143 0.600 0.209 0.298     382.749     390.000      10.951   28 
+     70000       14000.00      40.783       2.689      43.472   4.85 0.000 1.000 0.233 0.592     370.000     390.000       8.359   28 
+     80000       16000.00      41.717       2.921      44.639   8.33 0.000 1.000 0.273 0.474     378.481     390.000      10.057   28 
+     90000       18000.00      46.879      16.750      63.630   5.42 0.071 0.857 0.351 1.251     425.314     390.000       8.283   28 
+    100000       20000.00      33.336      14.234      47.570   5.86 0.000   NaN   NaN 0.389     302.441     390.000       9.656   28 
+    110000       22000.00      29.758       8.683      38.441   5.28 0.214 0.625 0.284 0.771     269.983     370.000       7.996   28 
+    120000       24000.00      31.469      20.532      52.000   8.10 0.000 1.000 0.205 0.484     285.501     370.000       9.829   28 
+    130000       26000.00      29.754      13.422      43.176   5.21 0.071 0.875 0.199 0.427     269.944     370.000       8.308   28 
+    140000       28000.00      35.092      15.953      51.046   5.60 0.000 1.000 0.545 0.518     318.375     370.000       7.785   28 
+    150000       30000.00      38.305       0.731      39.036   6.03 0.143 0.778 0.313 0.435     347.522     370.000       7.421   28 
+    160000       32000.00      40.223       7.583      47.807   5.52 0.071 0.857 0.357 0.462     364.926     370.000       7.488   28 
+    170000       34000.00      37.383       9.573      46.956   8.71 0.000 1.000 0.227 0.392     339.157     370.000      11.938   28 
+    180000       36000.00      43.624      13.432      57.056   6.37 0.071 0.000 0.136 0.343     395.778     370.000      10.260   28 
+    190000       38000.00      51.676       4.773      56.449   6.39 0.071 0.000 0.182 1.003     468.833     370.000       9.581   28 
+    200000       40000.00      35.741      -1.777      33.964   4.11 0.286 0.500 0.307 0.737     324.264     370.000       6.957   28 
+    210000       42000.00      44.860       0.937      45.797   5.75 0.071 0.857 0.208 0.594     406.994     350.000       8.388   28 
+    220000       44000.00      36.141       1.747      37.889   5.09 0.000 1.000 0.318 0.874     327.891     350.000       7.502   28 
+    230000       46000.00      39.962       4.124      44.086   5.44 0.071 0.833 0.258 0.510     362.554     350.000       8.370   28 
+    240000       48000.00      34.161       6.091      40.252   6.24 0.214 0.500 0.182 0.511     309.926     350.000       8.435   28 
+    250000       50000.00      28.702       6.821      35.524   5.09 0.143 0.750 0.267 1.031     260.404     350.000       8.150   28 
+    260000       52000.00      35.794      11.093      46.887   5.72 0.071 0.833 0.356 0.494     324.740     350.000       8.286   28 
+    270000       54000.00      47.530      -5.445      42.086   4.83 0.143 0.800 0.400 0.444     431.219     350.000       7.888   28 
+    280000       56000.00      39.990      -2.337      37.652   6.90 0.143 0.750 0.324 0.513     362.806     350.000       6.952   28 
+    290000       58000.00      30.930       5.858      36.788   4.75 0.143 0.667 0.295 0.622     280.615     350.000       8.649   28 
+    300000       60000.00      33.098      11.488      44.585   4.51 0.000 1.000 0.491 0.433     300.280     350.000       8.224   28 
+    310000       62000.00      41.504       1.387      42.891   5.35 0.143 0.600 0.482 1.062     376.546     370.000       8.073   28 
+    320000       64000.00      38.388      -0.439      37.948   6.63 0.071 0.800 0.164 0.609     348.274     370.000      10.409   28 
+    330000       66000.00      36.206       7.475      43.680   9.06 0.000 1.000 0.227 0.186     328.478     370.000      11.662   28 
+    340000       68000.00      30.595       9.767      40.362   8.09 0.143 0.333 0.136 0.802     277.576     370.000      11.713   28 
+    350000       70000.00      38.300      11.396      49.696   5.99 0.000 1.000 0.227 0.261     347.482     370.000       8.403   28 
+    360000       72000.00      36.521      20.191      56.711   7.77 0.000   NaN   NaN 0.736     331.334     370.000      10.656   28 
+    370000       74000.00      33.576      -1.271      32.306   6.63 0.143 0.600 0.300 0.763     304.621     370.000       7.798   28 
+    380000       76000.00      39.376      17.321      56.697   8.49 0.000 1.000 0.182 0.510     357.243     370.000      10.715   28 
+    390000       78000.00      49.002      15.633      64.635   6.60 0.000 1.000 0.398 0.806     444.573     370.000       7.519   28 
+    400000       80000.00      29.543      11.571      41.114   5.83 0.071 0.889 0.288 0.877     268.031     370.000       7.853   28 
+    410000       82000.00      30.218      -5.464      24.754   4.97 0.071 0.875 0.557 1.003     274.156     360.000       7.097   28 
+    420000       84000.00      23.820       6.038      29.858   6.71 0.000 1.000 0.227 0.650     216.109     360.000       8.386   28 
+    430000       86000.00      33.984      -1.841      32.143   4.95 0.071 0.917 0.299 0.641     308.318     360.000       7.096   28 
+    440000       88000.00      35.996      12.758      48.754   8.02 0.214 0.571 0.195 0.805     326.573     360.000      10.557   28 
+    450000       90000.00      36.352       4.448      40.800   5.53 0.071 0.857 0.253 0.711     329.801     360.000       8.585   28 
+    460000       92000.00      37.731      11.707      49.439   8.04 0.071 0.500 0.182 0.336     342.318     360.000       9.378   28 
+    470000       94000.00      37.103       3.685      40.788   4.79 0.071 0.750 0.159 0.500     336.622     360.000       8.991   28 
+    480000       96000.00      30.922       6.585      37.507   5.73 0.000 1.000 0.279 0.339     280.545     360.000       8.153   28 
+    490000       98000.00      35.164       2.362      37.526   7.45 0.143 0.778 0.323 0.630     319.023     360.000       8.542   28 
+    500000      100000.00      32.312       5.365      37.677   4.49 0.143 0.714 0.519 0.646     293.150     360.000       8.329   28 
+    510000      102000.00      50.391       7.101      57.492   4.46 0.071 0.857 0.377 0.331     457.177     400.000       7.859   28 
+    520000      104000.00      48.058      25.697      73.755   4.75 0.000 1.000 0.330 0.676     436.004     400.000       8.142   28 
+    530000      106000.00      40.809      17.641      58.450   4.95 0.000   NaN   NaN 0.794     370.242     400.000       9.577   28 
+    540000      108000.00      39.799      14.472      54.271   8.01 0.143 0.333 0.212 0.356     361.081     400.000      12.203   28 
+    550000      110000.00      47.749       9.909      57.658   6.80 0.071 0.857 0.325 0.776     433.204     400.000       7.067   28 
+    560000      112000.00      43.158       8.783      51.941   5.03 0.071 0.800 0.527 1.174     391.554     400.000       8.814   28 
+    570000      114000.00      40.442      14.354      54.796   6.66 0.000 1.000 0.636 0.456     366.914     400.000       8.190   28 
+    580000      116000.00      43.346      12.064      55.410   5.84 0.071 0.750 0.352 0.374     393.261     400.000       8.808   28 
+    590000      118000.00      36.637      24.738      61.375   6.56 0.000 1.000 0.364 0.810     332.390     400.000       7.483   28 
+    600000      120000.00      36.001       4.064      40.064   5.45 0.071 0.800 0.636 0.512     326.617     400.000       8.145   28 
+    610000      122000.00      36.623      12.700      49.324   8.35 0.000 1.000 0.136 0.573     332.266     390.000      11.528   28 
+    620000      124000.00      34.244       8.102      42.346   5.32 0.143 0.714 0.312 0.402     310.681     390.000       7.758   28 
+    630000      126000.00      34.442       5.008      39.450   6.71 0.071 0.500 0.182 0.659     312.473     390.000      10.445   28 
+    640000      128000.00      35.274       1.174      36.447   5.14 0.000 1.000 0.136 0.220     320.020     390.000       8.767   28 
+    650000      130000.00      40.392      10.184      50.576   5.48 0.071 0.667 0.197 1.025     366.457     390.000       8.854   28 
+    660000      132000.00      45.005      17.761      62.766   3.33 0.214 0.400 0.173 0.512     408.312     390.000       8.459   28 
+    670000      134000.00      26.463      18.623      45.086   4.88 0.000 1.000 0.136 0.922     240.088     390.000       9.114   28 
+    680000      136000.00      46.773      10.177      56.950   3.86 0.000 1.000 0.264 0.228     424.348     390.000       7.970   28 
+    690000      138000.00      35.128       8.412      43.540   7.40 0.071 0.500 0.182 0.665     318.697     390.000      11.286   28 
+    700000      140000.00      45.588       0.955      46.543   4.81 0.286 0.636 0.405 0.538     413.597     390.000       7.401   28 
+    710000      142000.00      42.728      12.029      54.758   6.65 0.071 0.000 0.136 0.471     387.651     380.000      10.745   28 
+    720000      144000.00      37.815       8.535      46.350   8.80 0.071 0.750 0.193 0.346     343.081     380.000      10.619   28 
+    730000      146000.00      38.483       8.375      46.858   7.40 0.000 1.000 0.336 0.935     349.139     380.000       7.670   28 
+    740000      148000.00      31.251       3.416      34.666   8.83 0.071 0.000 0.136 0.311     283.521     380.000      10.804   28 
+    750000      150000.00      33.800      11.686      45.486   8.95 0.143 0.333 0.152 0.984     306.648     380.000      12.209   28 
+    760000      152000.00      44.519       8.072      52.591   4.87 0.071 0.800 0.200 0.970     403.898     380.000       8.754   28 
+    770000      154000.00      35.597      15.796      51.393   6.15 0.071 0.750 0.170 0.280     322.958     380.000      10.156   28 
+    780000      156000.00      43.846      13.282      57.127   6.88 0.071 0.800 0.309 0.537     397.790     380.000       8.972   28 
+    790000      158000.00      39.214       6.222      45.436   8.21 0.071 0.500 0.136 0.421     355.765     380.000      10.613   28 
+    800000      160000.00      49.431       5.723      55.155   8.29 0.071 0.667 0.197 0.577     448.468     380.000      11.526   28 
+    810000      162000.00      44.199      15.573      59.772  12.82 0.000   NaN   NaN 1.077     400.993     380.000      16.235   28 
+    820000      164000.00      44.042      21.315      65.357   8.30 0.071 0.000 0.136 0.599     399.572     380.000      12.236   28 
+    830000      166000.00      39.680      16.026      55.707   8.28 0.071 0.000 0.136 0.671     360.001     380.000      11.311   28 
+    840000      168000.00      36.824      -2.070      34.754   6.71 0.071 0.833 0.205 1.162     334.085     380.000       7.931   28 
+    850000      170000.00      41.335       9.756      51.091   7.99 0.071 0.800 0.200 1.168     375.015     380.000      10.688   28 
+    860000      172000.00      38.281      11.014      49.295   7.08 0.071 0.500 0.159 0.269     347.306     380.000      10.022   28 
+    870000      174000.00      33.789       0.884      34.673   7.35 0.071 0.667 0.182 0.544     306.552     380.000       9.742   28 
+    880000      176000.00      38.384       8.149      46.533   5.70 0.071 0.750 0.239 0.474     348.240     380.000       7.627   28 
+    890000      178000.00      43.923       2.702      46.625   6.67 0.000 1.000 0.364 0.353     398.494     380.000       7.866   28 
+    900000      180000.00      31.521       6.027      37.548   6.44 0.071 0.800 0.191 0.403     285.972     380.000      10.051   28 
+    910000      182000.00      43.786       9.367      53.152   5.07 0.143 0.667 0.205 2.140     397.246     380.000       7.702   28 
+    920000      184000.00      40.989       7.740      48.729   4.75 0.071 0.800 0.182 0.718     371.870     380.000       7.698   28 
+    930000      186000.00      45.789       0.336      46.125   9.38 0.071 0.000 0.136 0.469     415.424     380.000      12.904   28 
+    940000      188000.00      33.788      12.946      46.735   8.27 0.071 0.500 0.136 0.658     306.544     380.000      11.036   28 
+    950000      190000.00      41.029      11.144      52.173   4.96 0.071 0.500 0.205 0.909     372.237     380.000       7.477   28 
+    960000      192000.00      40.285      18.547      58.832   8.81 0.143 0.333 0.197 1.015     365.488     380.000      11.691   28 
+    970000      194000.00      49.501      14.484      63.984   5.67 0.143 0.714 0.266 0.458     449.095     380.000       8.001   28 
+    980000      196000.00      32.955       7.251      40.206   7.58 0.071 0.800 0.218 0.732     298.986     380.000       7.905   28 
+    990000      198000.00      44.305       4.077      48.382   7.37 0.071 0.667 0.136 0.582     401.962     380.000      10.552   28 
+   1000000      200000.00      30.048      16.450      46.498   5.32 0.143 0.333 0.152 0.736     272.614     380.000       9.465   28 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB029.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB029.stat
index 36ea8ea..d60a0f5 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB029.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB029.stat
@@ -1,101 +1,101 @@
-         0           0.00      40.275     114.373     154.648  12.87 0.000   NaN   NaN 4.850     365.395     320.000      15.552   29 
-     10000        2000.00      39.399     -19.141      20.258   5.05 0.357 0.615 0.189 0.503     357.450     320.000       7.653   29 
-     20000        4000.00      29.835      -8.069      21.766   5.91 0.143 0.750 0.210 0.310     270.681     320.000       8.027   29 
-     30000        6000.00      33.191     -14.665      18.526   4.40 0.214 0.769 0.402 0.823     301.123     320.000       6.640   29 
-     40000        8000.00      27.160     -22.930       4.230   3.48 0.214 0.727 0.409 0.557     246.409     320.000       7.184   29 
-     50000       10000.00      35.255     -15.554      19.701   4.41 0.214 0.750 0.322 0.333     319.854     320.000       6.979   29 
-     60000       12000.00      30.779     -20.022      10.757   5.77 0.071 0.889 0.212 0.414     279.243     320.000       7.488   29 
-     70000       14000.00      28.812      -4.933      23.879   4.00 0.000 1.000 0.318 0.646     261.396     320.000       7.306   29 
-     80000       16000.00      40.597      -9.005      31.592   7.60 0.214 0.000 0.152 0.880     368.320     320.000      10.191   29 
-     90000       18000.00      45.429     -19.438      25.990   5.03 0.286 0.636 0.380 0.233     412.151     320.000       6.975   29 
-    100000       20000.00      36.132     -13.995      22.136   6.26 0.214 0.824 0.316 0.413     327.805     320.000       6.961   29 
-    110000       22000.00      26.232      -3.090      23.142   4.02 0.000 1.000 0.234 0.866     237.994     320.000       7.231   29 
-    120000       24000.00      24.822      -4.783      20.039   5.80 0.286 0.500 0.199 0.895     225.197     320.000       8.544   29 
-    130000       26000.00      36.164     -17.711      18.453   3.43 0.214 0.727 0.190 1.141     328.096     320.000       7.737   29 
-    140000       28000.00      28.369     -13.973      14.396   6.87 0.286 0.333 0.174 0.656     257.378     320.000       9.396   29 
-    150000       30000.00      37.113      -8.383      28.731   5.66 0.214 0.667 0.202 0.470     336.712     320.000       8.857   29 
-    160000       32000.00      33.714      -7.822      25.892   5.02 0.143 0.778 0.369 0.476     305.875     320.000       7.780   29 
-    170000       34000.00      32.808     -21.887      10.921   4.33 0.286 0.667 0.348 0.565     297.650     320.000       7.273   29 
-    180000       36000.00      36.732     -14.802      21.930   4.26 0.214 0.667 0.167 0.598     333.252     320.000       8.383   29 
-    190000       38000.00      26.038      -6.399      19.640   5.17 0.071 0.833 0.220 0.277     236.234     320.000       8.453   29 
-    200000       40000.00      34.170      -9.122      25.048   6.20 0.286 0.600 0.177 0.530     310.010     320.000       9.086   29 
-    210000       42000.00      24.678     -16.431       8.247   3.97 0.214 0.727 0.384 0.397     223.894     310.000       6.985   29 
-    220000       44000.00      36.073     -16.334      19.738   4.71 0.214 0.571 0.325 1.159     327.270     310.000       7.052   29 
-    230000       46000.00      36.260     -20.520      15.740   3.35 0.286 0.714 0.295 0.482     328.972     310.000       6.664   29 
-    240000       48000.00      32.989     -22.860      10.129   3.29 0.429 0.538 0.185 0.828     299.290     310.000       7.109   29 
-    250000       50000.00      28.963     -11.501      17.461   5.21 0.071 0.857 0.318 0.439     262.763     310.000       7.641   29 
-    260000       52000.00      33.241     -28.813       4.427   2.93 0.214 0.750 0.398 0.389     301.575     310.000       6.975   29 
-    270000       54000.00      34.343     -17.478      16.865   4.24 0.286 0.636 0.343 0.925     311.580     310.000       6.676   29 
-    280000       56000.00      33.853     -10.748      23.105   7.34 0.071 0.667 0.152 0.544     307.131     310.000       9.836   29 
-    290000       58000.00      29.187      -9.496      19.691   4.40 0.143 0.667 0.189 0.546     264.798     310.000       8.444   29 
-    300000       60000.00      37.747     -17.721      20.026   5.39 0.214 0.700 0.205 0.844     342.460     310.000       7.523   29 
-    310000       62000.00      22.144     -22.533      -0.389   2.14 0.357 0.583 0.261 0.297     200.898     300.000       6.768   29 
-    320000       64000.00      33.180     -29.077       4.103   3.03 0.214 0.769 0.311 0.545     301.023     300.000       6.279   29 
-    330000       66000.00      31.828     -20.293      11.535   3.14 0.214 0.786 0.364 0.914     288.758     300.000       7.027   29 
-    340000       68000.00      35.694     -27.492       8.202   5.56 0.214 0.750 0.223 0.679     323.836     300.000       6.388   29 
-    350000       70000.00      32.593     -22.452      10.141   6.59 0.286 0.600 0.209 0.337     295.703     300.000       8.057   29 
-    360000       72000.00      29.101     -17.894      11.207   3.47 0.214 0.700 0.227 0.422     264.019     300.000       6.870   29 
-    370000       74000.00      32.395     -15.988      16.407   4.35 0.286 0.556 0.182 0.496     293.902     300.000       7.618   29 
-    380000       76000.00      27.305     -25.694       1.611   3.09 0.071 0.900 0.300 0.764     247.722     300.000       7.354   29 
-    390000       78000.00      28.332     -30.394      -2.062   5.66 0.214 0.667 0.177 0.284     257.042     300.000       8.112   29 
-    400000       80000.00      36.933     -21.258      15.675   6.67 0.143 0.750 0.210 0.679     335.080     300.000       7.839   29 
-    410000       82000.00      25.848     -24.062       1.786   4.78 0.143 0.818 0.202 0.421     234.504     290.000       7.108   29 
-    420000       84000.00      31.015     -26.191       4.824   6.27 0.214 0.700 0.177 0.655     281.382     290.000       8.390   29 
-    430000       86000.00      25.586     -21.876       3.710   6.55 0.071 0.857 0.195 0.732     232.129     290.000       8.126   29 
-    440000       88000.00      26.535     -25.068       1.467   5.76 0.214 0.700 0.186 0.380     240.736     290.000       8.045   29 
-    450000       90000.00      28.909     -28.591       0.317   5.13 0.429 0.538 0.196 0.391     262.274     290.000       7.844   29 
-    460000       92000.00      32.498     -25.945       6.552   4.98 0.214 0.667 0.172 0.401     294.838     290.000       8.602   29 
-    470000       94000.00      29.274     -29.399      -0.125   2.62 0.357 0.444 0.172 0.755     265.593     290.000       7.449   29 
-    480000       96000.00      25.504     -26.904      -1.400   3.40 0.286 0.556 0.197 0.326     231.387     290.000       7.810   29 
-    490000       98000.00      26.463     -31.662      -5.198   3.12 0.429 0.500 0.231 0.416     240.090     290.000       6.799   29 
-    500000      100000.00      40.936     -31.463       9.474   2.66 0.143 0.818 0.219 0.608     371.397     290.000       6.885   29 
-    510000      102000.00      21.700     -32.609     -10.909   2.85 0.357 0.667 0.312 0.920     196.870     280.000       6.425   29 
-    520000      104000.00      34.442     -38.338      -3.895   2.65 0.357 0.688 0.270 0.850     312.480     280.000       6.512   29 
-    530000      106000.00      37.500     -39.603      -2.103   3.30 0.214 0.727 0.190 0.371     340.220     280.000       7.666   29 
-    540000      108000.00      31.152     -33.103      -1.951   2.87 0.429 0.600 0.306 0.173     282.625     280.000       6.507   29 
-    550000      110000.00      32.699     -31.591       1.109   2.67 0.500 0.588 0.332 0.356     296.666     280.000       6.360   29 
-    560000      112000.00      26.161     -45.661     -19.500   2.87 0.429 0.571 0.282 0.284     237.345     280.000       6.772   29 
-    570000      114000.00      26.511     -40.597     -14.087   2.70 0.357 0.375 0.170 0.161     240.518     280.000       7.138   29 
-    580000      116000.00      25.631     -35.265      -9.633   3.33 0.286 0.692 0.315 0.179     232.540     280.000       6.500   29 
-    590000      118000.00      21.554     -32.487     -10.933   3.03 0.214 0.625 0.170 0.600     195.547     280.000       7.167   29 
-    600000      120000.00      25.656     -32.657      -7.001   3.03 0.357 0.643 0.227 0.583     232.764     280.000       7.247   29 
-    610000      122000.00      27.320     -39.970     -12.649   2.78 0.357 0.615 0.234 0.344     247.863     280.000       6.738   29 
-    620000      124000.00      28.369     -41.553     -13.184   2.97 0.357 0.583 0.326 0.858     257.382     280.000       6.702   29 
-    630000      126000.00      24.108     -32.414      -8.307   3.76 0.286 0.636 0.223 0.586     218.718     280.000       7.064   29 
-    640000      128000.00      25.831     -34.706      -8.875   2.87 0.429 0.600 0.348 0.376     234.353     280.000       6.660   29 
-    650000      130000.00      27.758     -28.248      -0.490   2.92 0.357 0.583 0.231 0.737     251.837     280.000       7.075   29 
-    660000      132000.00      37.136     -30.477       6.660   2.99 0.214 0.769 0.262 0.260     336.920     280.000       6.831   29 
-    670000      134000.00      23.186     -39.652     -16.467   2.73 0.214 0.727 0.318 0.355     210.353     280.000       6.711   29 
-    680000      136000.00      27.952     -30.832      -2.879   4.67 0.286 0.600 0.177 0.330     253.597     280.000       8.008   29 
-    690000      138000.00      33.444     -35.510      -2.067   2.49 0.429 0.667 0.313 0.622     303.417     280.000       6.706   29 
-    700000      140000.00      25.501     -33.745      -8.244   2.77 0.357 0.667 0.276 0.176     231.357     280.000       7.139   29 
-    710000      142000.00      31.274     -36.444      -5.169   2.61 0.357 0.615 0.252 0.261     283.737     280.000       6.920   29 
-    720000      144000.00      35.856     -33.673       2.183   3.47 0.286 0.600 0.223 0.532     325.306     280.000       6.883   29 
-    730000      146000.00      29.214     -40.650     -11.436   2.51 0.429 0.667 0.308 0.633     265.043     280.000       6.790   29 
-    740000      148000.00      27.107     -38.560     -11.454   2.76 0.500 0.533 0.291 0.337     245.925     280.000       6.318   29 
-    750000      150000.00      31.715     -39.829      -8.115   3.10 0.571 0.529 0.225 0.571     287.732     280.000       6.857   29 
-    760000      152000.00      26.046     -30.039      -3.992   2.99 0.143 0.818 0.277 0.486     236.303     280.000       7.092   29 
-    770000      154000.00      25.199     -37.682     -12.482   3.27 0.286 0.714 0.218 0.292     228.622     280.000       6.927   29 
-    780000      156000.00      27.920     -33.395      -5.475   5.15 0.357 0.583 0.163 0.275     253.306     280.000       8.333   29 
-    790000      158000.00      28.236     -34.139      -5.902   3.41 0.357 0.444 0.222 0.678     256.174     280.000       7.572   29 
-    800000      160000.00      32.818     -27.444       5.374   3.52 0.214 0.625 0.199 0.368     297.740     280.000       7.121   29 
-    810000      162000.00      27.692     -31.034      -3.341   3.39 0.214 0.667 0.197 0.726     251.239     290.000       7.050   29 
-    820000      164000.00      28.505     -39.762     -11.257   3.05 0.286 0.733 0.291 0.329     258.609     290.000       6.726   29 
-    830000      166000.00      34.063     -28.024       6.039   2.80 0.214 0.625 0.290 0.346     309.034     290.000       7.432   29 
-    840000      168000.00      26.415     -24.371       2.043   3.44 0.286 0.556 0.207 0.707     239.647     290.000       7.505   29 
-    850000      170000.00      36.404     -30.309       6.096   4.45 0.214 0.700 0.223 0.665     330.278     290.000       7.766   29 
-    860000      172000.00      38.153     -37.646       0.507   3.15 0.214 0.700 0.268 0.901     346.141     290.000       6.532   29 
-    870000      174000.00      27.632     -28.084      -0.452   6.70 0.286 0.500 0.159 0.496     250.693     290.000       9.589   29 
-    880000      176000.00      28.011     -25.952       2.059   3.14 0.286 0.692 0.234 1.200     254.133     290.000       7.719   29 
-    890000      178000.00      24.441     -23.641       0.800   3.60 0.286 0.750 0.264 0.235     221.739     290.000       6.755   29 
-    900000      180000.00      35.484     -34.399       1.086   3.08 0.214 0.812 0.347 0.670     321.933     290.000       6.478   29 
-    910000      182000.00      29.379     -41.801     -12.422   3.06 0.214 0.769 0.231 0.435     266.540     270.000       6.975   29 
-    920000      184000.00      28.761     -44.227     -15.466   3.02 0.286 0.692 0.269 0.424     260.935     270.000       6.701   29 
-    930000      186000.00      25.558     -45.832     -20.273   3.02 0.286 0.733 0.345 0.362     231.877     270.000       6.622   29 
-    940000      188000.00      29.194     -52.008     -22.815   2.78 0.214 0.769 0.357 0.701     264.861     270.000       6.591   29 
-    950000      190000.00      30.989     -46.124     -15.135   2.66 0.357 0.615 0.269 0.572     281.145     270.000       6.804   29 
-    960000      192000.00      31.921     -43.838     -11.918   2.92 0.357 0.375 0.193 0.607     289.601     270.000       7.426   29 
-    970000      194000.00      33.801     -42.989      -9.188   2.78 0.143 0.800 0.255 0.294     306.661     270.000       6.875   29 
-    980000      196000.00      17.912     -41.373     -23.462   2.67 0.357 0.545 0.277 0.284     162.505     270.000       6.629   29 
-    990000      198000.00      27.721     -36.428      -8.707   2.81 0.286 0.667 0.239 0.406     251.496     270.000       7.197   29 
-   1000000      200000.00      23.677     -38.376     -14.699   2.92 0.500 0.500 0.289 0.410     214.809     270.000       6.637   29 
+         0           0.00      49.085     112.507     161.592  12.87 0.000   NaN   NaN 4.850     445.325     390.000      15.552   29 
+     10000        2000.00      44.870      18.178      63.048   7.37 0.000 1.000 0.205 0.757     407.084     390.000      10.336   29 
+     20000        4000.00      36.126      -0.509      35.617   5.33 0.071 0.833 0.371 0.322     327.752     390.000       8.199   29 
+     30000        6000.00      40.267       8.185      48.452   6.27 0.143 0.778 0.227 0.369     365.319     390.000       7.852   29 
+     40000        8000.00      37.156      17.671      54.827   5.93 0.071 0.500 0.136 0.852     337.099     390.000       9.237   29 
+     50000       10000.00      43.814       5.740      49.555   7.14 0.000 1.000 0.273 0.598     397.507     390.000      10.095   29 
+     60000       12000.00      38.011      14.250      52.262   5.78 0.143 0.333 0.288 0.312     344.860     390.000       9.008   29 
+     70000       14000.00      39.409      14.035      53.444   6.36 0.071 0.500 0.295 0.889     357.538     390.000       9.534   29 
+     80000       16000.00      55.023       7.498      62.521   7.52 0.071 0.500 0.205 0.773     499.196     390.000       9.534   29 
+     90000       18000.00      57.715       9.213      66.928   6.18 0.071 0.667 0.303 0.398     523.620     390.000       9.296   29 
+    100000       20000.00      45.507      21.070      66.577   7.69 0.071 0.833 0.212 1.012     412.861     390.000       9.496   29 
+    110000       22000.00      36.124      -2.008      34.116   4.18 0.143 0.846 0.318 0.453     327.734     380.000       6.696   29 
+    120000       24000.00      32.195      -2.923      29.272   5.00 0.143 0.000 0.136 0.478     292.089     380.000       8.907   29 
+    130000       26000.00      42.627       4.176      46.803   5.81 0.071 0.800 0.327 1.473     386.734     380.000       8.282   29 
+    140000       28000.00      33.552       3.831      37.383   7.03 0.071 0.667 0.152 0.301     304.397     380.000       9.699   29 
+    150000       30000.00      41.740       8.471      50.211   6.49 0.071 0.857 0.377 0.372     378.684     380.000       7.531   29 
+    160000       32000.00      39.400      -0.526      38.875   4.97 0.000 1.000 0.455 0.691     357.462     380.000       8.597   29 
+    170000       34000.00      38.756      18.095      56.852   7.41 0.071 0.800 0.209 0.650     351.618     380.000       9.060   29 
+    180000       36000.00      42.136       8.854      50.990   6.69 0.071 0.750 0.170 1.180     382.279     380.000       9.758   29 
+    190000       38000.00      29.676      13.221      42.897   5.64 0.071 0.750 0.318 1.063     269.232     380.000       8.719   29 
+    200000       40000.00      42.577      11.911      54.488   6.98 0.071 0.800 0.227 1.362     386.281     380.000       7.861   29 
+    210000       42000.00      29.274       5.184      34.458   5.90 0.000 1.000 0.485 0.595     265.590     390.000       8.603   29 
+    220000       44000.00      44.808      15.908      60.716   6.49 0.071 0.500 0.136 0.556     406.521     390.000      11.675   29 
+    230000       46000.00      46.242       6.904      53.146  10.90 0.000 1.000 0.136 0.389     419.532     390.000      14.801   29 
+    240000       48000.00      37.856      13.745      51.601   9.24 0.143 0.333 0.152 0.875     343.453     390.000      12.672   29 
+    250000       50000.00      38.551       2.910      41.461   6.45 0.071 0.800 0.309 0.746     349.752     390.000       7.978   29 
+    260000       52000.00      43.838      10.661      54.498   6.13 0.000 1.000 0.318 0.460     397.719     390.000       9.258   29 
+    270000       54000.00      44.880       9.583      54.462   4.61 0.071 0.800 0.345 0.527     407.170     390.000       7.513   29 
+    280000       56000.00      40.031       3.723      43.754   4.48 0.000 1.000 0.209 0.762     363.183     390.000       8.907   29 
+    290000       58000.00      39.986      16.285      56.271   5.46 0.214 0.500 0.174 0.369     362.776     390.000       8.803   29 
+    300000       60000.00      45.671       3.349      49.021   5.15 0.214 0.500 0.227 0.602     414.353     390.000       8.271   29 
+    310000       62000.00      28.239       0.462      28.701   5.83 0.000 1.000 0.273 0.489     256.195     380.000       9.914   29 
+    320000       64000.00      47.397       4.399      51.796   6.25 0.071 0.800 0.191 0.279     430.006     380.000       9.976   29 
+    330000       66000.00      39.544      17.782      57.325   4.56 0.000 1.000 0.364 0.970     358.761     380.000       8.975   29 
+    340000       68000.00      44.714       7.204      51.918   8.60 0.071 0.667 0.152 0.658     405.670     380.000      11.913   29 
+    350000       70000.00      42.030      15.469      57.498   5.54 0.143 0.500 0.511 0.533     381.315     380.000       7.941   29 
+    360000       72000.00      43.676      10.103      53.779   5.17 0.214 0.625 0.267 0.266     396.252     380.000       8.235   29 
+    370000       74000.00      35.654       8.667      44.321   5.42 0.071 0.667 0.152 0.618     323.473     380.000       9.030   29 
+    380000       76000.00      34.094      23.110      57.205   5.01 0.214 0.500 0.212 0.484     309.323     380.000       8.669   29 
+    390000       78000.00      32.776       4.154      36.930   5.30 0.000 1.000 0.318 0.668     297.357     380.000       7.903   29 
+    400000       80000.00      43.389      20.007      63.396  10.38 0.071 0.500 0.182 0.271     393.649     380.000      13.476   29 
+    410000       82000.00      34.816      13.006      47.822   9.66 0.000 1.000 0.136 0.739     315.870     380.000      12.759   29 
+    420000       84000.00      44.436       6.898      51.333  10.11 0.071 0.667 0.212 0.447     403.144     380.000      12.392   29 
+    430000       86000.00      32.482      13.264      45.746   4.37 0.143 0.600 0.236 1.518     294.696     380.000       7.311   29 
+    440000       88000.00      34.252      12.723      46.975   7.62 0.000 1.000 0.159 0.455     310.754     380.000      10.584   29 
+    450000       90000.00      37.609       5.946      43.555   8.67 0.000 1.000 0.258 0.596     341.211     380.000      11.075   29 
+    460000       92000.00      41.535       8.722      50.257   5.18 0.000 1.000 0.205 0.538     376.826     380.000       9.608   29 
+    470000       94000.00      34.991      13.719      48.710   8.63 0.071 0.000 0.136 0.491     317.459     380.000      13.230   29 
+    480000       96000.00      34.632       8.265      42.897   6.61 0.071 0.750 0.273 0.213     314.202     380.000       7.849   29 
+    490000       98000.00      38.886       6.471      45.357   6.37 0.000   NaN   NaN 0.570     352.792     380.000      10.046   29 
+    500000      100000.00      52.126       4.116      56.242   6.93 0.000 1.000 0.182 0.438     472.914     380.000       9.952   29 
+    510000      102000.00      33.535       5.215      38.750   6.82 0.000 1.000 0.227 0.245     304.243     370.000       8.976   29 
+    520000      104000.00      47.797      13.349      61.145   5.89 0.071 0.500 0.205 0.902     433.635     370.000       9.752   29 
+    530000      106000.00      46.327      13.149      59.477   5.69 0.071 0.500 0.477 0.805     420.307     370.000       9.202   29 
+    540000      108000.00      39.530       9.735      49.264   6.72 0.000 1.000 0.455 0.386     358.633     370.000       8.191   29 
+    550000      110000.00      36.832      10.211      47.043   4.75 0.071 0.800 0.391 0.553     334.159     370.000       7.976   29 
+    560000      112000.00      34.276       7.594      41.869   6.57 0.000 1.000 0.159 0.386     310.966     370.000      10.443   29 
+    570000      114000.00      31.040       9.967      41.007   7.67 0.000 1.000 0.364 1.058     281.608     370.000       9.742   29 
+    580000      116000.00      33.752      14.224      47.976   5.11 0.071 0.800 0.482 0.691     306.216     370.000       8.434   29 
+    590000      118000.00      23.484       9.771      33.255   9.24 0.000   NaN   NaN 0.676     213.061     370.000      13.846   29 
+    600000      120000.00      34.690      11.211      45.901   5.68 0.071 0.500 0.205 0.688     314.724     370.000      10.072   29 
+    610000      122000.00      33.473       6.452      39.925   5.86 0.143 0.000 0.136 0.205     303.686     370.000       9.279   29 
+    620000      124000.00      38.714      20.436      59.150   5.61 0.071 0.750 0.182 0.679     351.236     370.000       9.312   29 
+    630000      126000.00      32.752       5.831      38.584   5.37 0.071 0.750 0.182 0.383     297.148     370.000       9.086   29 
+    640000      128000.00      35.038      10.797      45.836   7.22 0.071 0.667 0.182 0.440     317.887     370.000      10.075   29 
+    650000      130000.00      37.899       9.769      47.668   9.17 0.143 0.500 0.170 1.294     343.841     370.000      12.839   29 
+    660000      132000.00      46.223      13.735      59.958   8.87 0.071 0.000 0.136 0.905     419.360     370.000      11.494   29 
+    670000      134000.00      34.445      -2.407      32.038   7.50 0.143 0.500 0.159 0.486     312.500     370.000      10.862   29 
+    680000      136000.00      35.764       1.059      36.823   5.18 0.000 1.000 0.245 0.569     324.470     370.000       8.051   29 
+    690000      138000.00      44.559      -2.866      41.693   5.52 0.143 0.667 0.500 0.763     404.261     370.000       7.859   29 
+    700000      140000.00      29.638       7.312      36.950   7.66 0.000 1.000 0.258 0.688     268.891     370.000       9.523   29 
+    710000      142000.00      40.620      -0.895      39.725   4.80 0.214 0.250 0.295 0.397     368.526     370.000       8.111   29 
+    720000      144000.00      47.256       0.879      48.135   5.00 0.071 0.667 0.364 0.653     428.727     370.000       8.841   29 
+    730000      146000.00      39.439       4.018      43.458   4.76 0.000 1.000 0.280 0.857     357.814     370.000       8.184   29 
+    740000      148000.00      36.760      -4.189      32.571   7.01 0.071 0.857 0.357 0.420     333.507     370.000       8.411   29 
+    750000      150000.00      36.692       7.130      43.822   3.69 0.214 0.500 0.152 0.328     332.892     370.000       8.424   29 
+    760000      152000.00      37.981      -0.760      37.221   3.84 0.000 1.000 0.318 0.472     344.581     370.000       8.234   29 
+    770000      154000.00      31.833      -1.538      30.295   6.94 0.143 0.500 0.148 0.403     288.804     370.000      10.694   29 
+    780000      156000.00      38.905      17.841      56.745   7.04 0.071 0.833 0.288 0.866     352.962     370.000       8.136   29 
+    790000      158000.00      40.501      14.042      54.543   9.11 0.071 0.500 0.182 0.291     367.446     370.000      11.409   29 
+    800000      160000.00      41.812       4.381      46.194   4.20 0.143 0.750 0.477 0.384     379.344     370.000       7.786   29 
+    810000      162000.00      35.501      -3.021      32.480   8.02 0.071 0.750 0.170 0.287     322.086     360.000       9.322   29 
+    820000      164000.00      32.265      -1.646      30.619   3.81 0.071 0.800 0.227 0.575     292.725     360.000       7.653   29 
+    830000      166000.00      37.888       1.409      39.298   6.69 0.071 0.923 0.441 0.536     343.744     360.000       7.201   29 
+    840000      168000.00      33.016      -7.299      25.717   7.36 0.214 0.727 0.306 0.534     299.541     360.000       7.280   29 
+    850000      170000.00      44.637      -6.667      37.969   7.40 0.071 0.900 0.264 0.928     404.967     360.000       8.602   29 
+    860000      172000.00      44.818      -0.725      44.092   5.82 0.000 1.000 0.343 0.528     406.609     360.000       6.967   29 
+    870000      174000.00      34.870      16.064      50.933   6.28 0.143 0.600 0.173 0.342     316.355     360.000       9.646   29 
+    880000      176000.00      37.024       5.931      42.955   4.91 0.143 0.333 0.318 1.149     335.899     360.000       7.965   29 
+    890000      178000.00      35.262      -9.781      25.481   7.10 0.071 0.875 0.278 0.392     319.918     360.000       8.760   29 
+    900000      180000.00      43.618       5.681      49.299   7.02 0.071 0.917 0.246 0.374     395.722     360.000       7.884   29 
+    910000      182000.00      39.659     -13.685      25.974   3.90 0.071 0.833 0.189 0.414     359.803     360.000       7.869   29 
+    920000      184000.00      36.796      -9.340      27.457   4.79 0.214 0.667 0.192 0.245     333.833     360.000       7.959   29 
+    930000      186000.00      30.486       8.097      38.583   5.17 0.143 0.000 0.159 0.343     276.585     360.000       8.695   29 
+    940000      188000.00      37.925       9.355      47.280   7.79 0.071 0.667 0.197 0.854     344.077     360.000      10.073   29 
+    950000      190000.00      38.430      10.014      48.443   5.67 0.071 0.800 0.227 0.837     348.655     360.000       8.820   29 
+    960000      192000.00      41.562      -4.103      37.459   5.16 0.214 0.667 0.177 1.049     377.069     360.000       8.481   29 
+    970000      194000.00      43.411       1.862      45.273   9.06 0.071 0.500 0.159 0.838     393.850     360.000      11.988   29 
+    980000      196000.00      22.008      -7.349      14.659   4.63 0.143 0.714 0.377 0.207     199.671     360.000       7.248   29 
+    990000      198000.00      38.602       3.416      42.018   7.85 0.071 0.500 0.136 0.698     350.218     360.000      10.794   29 
+   1000000      200000.00      34.031      10.164      44.194   5.50 0.071 0.750 0.182 0.646     308.744     360.000       8.756   29 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB030.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB030.stat
index 266f554..568bde1 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB030.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB030.stat
@@ -1,101 +1,101 @@
-         0           0.00      28.492     114.373     142.865  12.87 0.000   NaN   NaN 4.850     258.497     320.000      15.552   30 
-     10000        2000.00      38.035     -14.949      23.086   6.82 0.143 0.846 0.318 0.725     345.076     320.000       8.205   30 
-     20000        4000.00      44.249     -10.697      33.552   5.15 0.214 0.625 0.312 0.814     401.446     320.000       7.558   30 
-     30000        6000.00      35.065     -11.033      24.031   4.28 0.071 0.889 0.318 0.705     318.124     320.000       6.878   30 
-     40000        8000.00      42.529     -13.764      28.765   2.65 0.357 0.545 0.178 0.274     385.848     320.000       7.223   30 
-     50000       10000.00      39.349     -16.367      22.982   7.26 0.143 0.600 0.164 0.333     356.998     320.000       9.919   30 
-     60000       12000.00      27.295     -15.910      11.386   3.24 0.214 0.625 0.278 0.489     247.638     320.000       7.199   30 
-     70000       14000.00      26.037     -11.740      14.297   5.62 0.071 0.833 0.205 0.382     236.223     320.000       7.287   30 
-     80000       16000.00      30.690      -6.958      23.732   6.57 0.143 0.778 0.182 0.388     278.433     320.000       8.979   30 
-     90000       18000.00      36.453      -8.620      27.832   3.93 0.000 1.000 0.273 0.566     330.719     320.000       7.941   30 
-    100000       20000.00      31.444      -9.676      21.769   5.10 0.214 0.769 0.416 0.260     285.277     320.000       7.164   30 
-    110000       22000.00      34.460     -10.264      24.196   6.00 0.143 0.667 0.295 0.870     312.642     330.000       8.161   30 
-    120000       24000.00      32.732      -3.701      29.031   6.70 0.143 0.714 0.162 1.114     296.963     330.000       8.841   30 
-    130000       26000.00      35.807      -8.266      27.541   4.74 0.143 0.867 0.352 0.310     324.862     330.000       6.653   30 
-    140000       28000.00      39.579      -5.069      34.510   5.37 0.071 0.800 0.355 0.647     359.080     330.000       7.344   30 
-    150000       30000.00      37.721       3.931      41.651   6.44 0.214 0.400 0.173 0.697     342.222     330.000       8.710   30 
-    160000       32000.00      26.904     -10.274      16.630   4.16 0.214 0.625 0.165 0.599     244.088     330.000       7.958   30 
-    170000       34000.00      43.638      -8.285      35.352   3.98 0.286 0.556 0.258 1.601     395.903     330.000       7.554   30 
-    180000       36000.00      39.972     -12.063      27.909   3.80 0.214 0.700 0.341 0.427     362.648     330.000       7.363   30 
-    190000       38000.00      33.355      -9.663      23.692   6.85 0.286 0.429 0.162 0.141     302.615     330.000       9.318   30 
-    200000       40000.00      28.701      -3.902      24.800   3.66 0.143 0.750 0.233 0.449     260.392     330.000       7.041   30 
-    210000       42000.00      29.321     -18.908      10.413   3.34 0.357 0.643 0.315 0.901     266.012     320.000       6.776   30 
-    220000       44000.00      31.362     -10.363      20.999   8.23 0.071 0.833 0.182 0.451     284.529     320.000      10.039   30 
-    230000       46000.00      24.911       1.484      26.395   4.90 0.143 0.818 0.314 0.494     226.004     320.000       7.173   30 
-    240000       48000.00      30.772      -2.304      28.468   6.36 0.143 0.600 0.173 0.576     279.178     320.000      10.295   30 
-    250000       50000.00      30.255     -11.132      19.123   3.74 0.286 0.636 0.231 0.700     274.493     320.000       7.186   30 
-    260000       52000.00      35.829      -2.899      32.930   6.92 0.286 0.333 0.159 0.507     325.058     320.000      10.941   30 
-    270000       54000.00      29.879     -14.280      15.599   5.43 0.143 0.800 0.268 0.591     271.077     320.000       7.838   30 
-    280000       56000.00      31.269     -11.228      20.040   5.03 0.071 0.875 0.261 0.791     283.684     320.000       7.333   30 
-    290000       58000.00      36.774     -15.303      21.471   5.91 0.357 0.286 0.188 0.383     333.630     320.000       9.598   30 
-    300000       60000.00      37.072     -10.167      26.906   3.44 0.214 0.400 0.173 0.354     336.340     320.000       7.404   30 
-    310000       62000.00      33.014      -0.468      32.546   7.02 0.071 0.750 0.182 0.582     299.523     330.000       9.939   30 
-    320000       64000.00      36.250      -0.547      35.703   5.19 0.143 0.600 0.209 0.445     328.880     330.000       7.680   30 
-    330000       66000.00      34.230       3.980      38.210   6.99 0.071 0.857 0.377 0.312     310.550     330.000       7.830   30 
-    340000       68000.00      28.852      -3.842      25.010   5.65 0.000 1.000 0.318 0.156     261.756     330.000       7.281   30 
-    350000       70000.00      26.863     -12.918      13.946   6.44 0.143 0.800 0.332 0.422     243.718     330.000       7.079   30 
-    360000       72000.00      30.602       1.834      32.436   8.72 0.071 0.800 0.164 0.776     277.636     330.000      10.820   30 
-    370000       74000.00      28.251     -13.893      14.358   5.97 0.071 0.900 0.468 0.836     256.305     330.000       7.558   30 
-    380000       76000.00      29.868       0.219      30.087   6.74 0.214 0.700 0.305 0.802     270.974     330.000       7.436   30 
-    390000       78000.00      37.186      -9.369      27.817   5.70 0.071 0.857 0.266 0.488     337.372     330.000       8.504   30 
-    400000       80000.00      38.126      -9.204      28.922   4.73 0.143 0.800 0.300 1.021     345.900     330.000       7.085   30 
-    410000       82000.00      37.702     -12.508      25.194   4.38 0.286 0.636 0.244 0.388     342.049     330.000       7.500   30 
-    420000       84000.00      23.782       1.300      25.081   4.70 0.143 0.818 0.236 0.221     215.758     330.000       7.224   30 
-    430000       86000.00      35.283     -16.936      18.348   6.71 0.286 0.667 0.189 1.014     320.109     330.000       7.798   30 
-    440000       88000.00      39.030     -14.265      24.765   4.47 0.357 0.545 0.351 0.277     354.101     330.000       6.950   30 
-    450000       90000.00      38.997       0.346      39.342   6.44 0.000 1.000 0.182 0.389     353.797     330.000       9.220   30 
-    460000       92000.00      27.183     -13.832      13.351   3.18 0.214 0.667 0.242 0.299     246.614     330.000       7.127   30 
-    470000       94000.00      39.703      -6.307      33.396   4.44 0.143 0.857 0.305 0.462     360.204     330.000       7.274   30 
-    480000       96000.00      38.789      -6.284      32.506   3.80 0.286 0.636 0.388 0.687     351.918     330.000       7.157   30 
-    490000       98000.00      34.282      -7.739      26.543   5.24 0.071 0.900 0.214 1.218     311.026     330.000       8.772   30 
-    500000      100000.00      27.360     -10.773      16.587   4.36 0.214 0.727 0.219 0.510     248.222     330.000       8.235   30 
-    510000      102000.00      35.855      -6.155      29.701   3.35 0.071 0.900 0.295 0.341     325.297     320.000       7.375   30 
-    520000      104000.00      33.586      -5.520      28.066   6.60 0.071 0.857 0.201 0.559     304.713     320.000       8.850   30 
-    530000      106000.00      31.321      -9.364      21.957   3.49 0.357 0.583 0.428 0.266     284.157     320.000       7.323   30 
-    540000      108000.00      32.960     -15.025      17.935   3.42 0.214 0.500 0.273 0.229     299.028     320.000       7.363   30 
-    550000      110000.00      36.907      -6.204      30.703   3.37 0.214 0.700 0.345 0.871     334.844     320.000       7.625   30 
-    560000      112000.00      27.840      -8.455      19.385   5.05 0.214 0.500 0.189 0.204     252.574     320.000       8.638   30 
-    570000      114000.00      34.869      -7.005      27.864   4.86 0.286 0.692 0.269 0.397     316.352     320.000       8.154   30 
-    580000      116000.00      35.049      -1.864      33.185   6.27 0.214 0.625 0.176 0.345     317.985     320.000       8.422   30 
-    590000      118000.00      31.655       5.811      37.465   5.23 0.143 0.500 0.193 0.637     287.188     320.000       8.095   30 
-    600000      120000.00      27.507      -3.593      23.914   4.85 0.000 1.000 0.250 0.815     249.557     320.000       7.852   30 
-    610000      122000.00      36.410       4.211      40.621   3.94 0.071 0.857 0.325 0.340     330.332     380.000       6.953   30 
-    620000      124000.00      33.834       5.500      39.334   6.15 0.071 0.667 0.152 0.493     306.961     380.000      10.124   30 
-    630000      126000.00      30.712      -1.976      28.736   7.17 0.214 0.700 0.386 0.846     278.638     380.000       7.307   30 
-    640000      128000.00      40.435       9.122      49.557   4.23 0.071 0.500 0.455 0.884     366.843     380.000       8.782   30 
-    650000      130000.00      35.453      -1.718      33.735   5.19 0.143 0.778 0.182 0.305     321.647     380.000       8.703   30 
-    660000      132000.00      38.899       6.893      45.792   5.52 0.000 1.000 0.242 0.838     352.910     380.000       7.959   30 
-    670000      134000.00      46.659      -0.688      45.971   3.85 0.214 0.700 0.373 0.931     423.317     380.000       7.258   30 
-    680000      136000.00      46.588      22.041      68.628   9.22 0.000 1.000 0.227 0.632     422.666     380.000      11.508   30 
-    690000      138000.00      32.117       4.409      36.526   6.45 0.071 0.857 0.221 0.597     291.379     380.000       9.712   30 
-    700000      140000.00      32.106       6.514      38.620   4.07 0.071 0.800 0.373 0.923     291.284     380.000       8.356   30 
-    710000      142000.00      44.405      -2.569      41.836   6.64 0.071 0.667 0.167 0.310     402.864     360.000       9.595   30 
-    720000      144000.00      46.383      -2.767      43.616   7.12 0.143 0.500 0.182 0.742     420.814     360.000       8.302   30 
-    730000      146000.00      36.236       0.949      37.185   5.61 0.143 0.667 0.439 0.369     328.751     360.000       8.030   30 
-    740000      148000.00      35.371      16.230      51.601   6.36 0.071 0.750 0.307 0.302     320.903     360.000       7.772   30 
-    750000      150000.00      31.769       4.659      36.428   6.23 0.071 0.857 0.175 1.351     288.227     360.000      10.562   30 
-    760000      152000.00      41.382       1.408      42.790   8.06 0.143 0.667 0.227 0.347     375.441     360.000      10.302   30 
-    770000      154000.00      43.010      -1.945      41.064   4.14 0.071 0.875 0.312 0.248     390.205     360.000       7.756   30 
-    780000      156000.00      35.453      13.340      48.793   5.22 0.000 1.000 0.227 0.583     321.648     360.000       9.669   30 
-    790000      158000.00      41.320      -2.031      39.289   4.34 0.000 1.000 0.258 0.667     374.875     360.000       8.191   30 
-    800000      160000.00      43.525       6.651      50.176   3.59 0.214 0.667 0.318 1.108     394.880     360.000       8.150   30 
-    810000      162000.00      29.358      -9.663      19.696   4.68 0.071 0.889 0.227 0.121     266.353     340.000       7.734   30 
-    820000      164000.00      30.845      -5.206      25.639   6.58 0.071 0.889 0.379 0.219     279.838     340.000       7.872   30 
-    830000      166000.00      30.632      -9.736      20.896   5.96 0.071 0.800 0.291 0.294     277.907     340.000       7.704   30 
-    840000      168000.00      35.367       1.524      36.891   5.06 0.071 0.857 0.377 0.930     320.867     340.000       7.276   30 
-    850000      170000.00      39.471       0.571      40.042   4.15 0.071 0.875 0.381 1.016     358.104     340.000       7.038   30 
-    860000      172000.00      38.545      -1.618      36.928   4.62 0.143 0.714 0.286 0.516     349.702     340.000       7.831   30 
-    870000      174000.00      36.023     -11.959      24.063   3.61 0.286 0.636 0.322 0.558     326.815     340.000       7.203   30 
-    880000      176000.00      33.626      -0.950      32.676   8.19 0.071 0.800 0.164 0.210     305.076     340.000      10.645   30 
-    890000      178000.00      36.371      -3.529      32.842   5.51 0.143 0.750 0.199 0.323     329.975     340.000       7.908   30 
-    900000      180000.00      41.816       3.837      45.653   5.13 0.071 0.500 0.205 0.391     379.379     340.000       9.332   30 
-    910000      182000.00      49.598      19.335      68.933   4.75 0.071 0.667 0.333 0.355     449.980     390.000       9.552   30 
-    920000      184000.00      39.330      15.260      54.589   7.43 0.143 0.667 0.174 0.410     356.819     390.000      10.834   30 
-    930000      186000.00      46.558      13.650      60.208   5.59 0.071 0.800 0.327 0.783     422.398     390.000       8.039   30 
-    940000      188000.00      40.066      10.944      51.010   4.50 0.143 0.800 0.414 0.768     363.500     390.000       7.803   30 
-    950000      190000.00      39.649       9.692      49.341   6.40 0.000 1.000 0.227 0.361     359.714     390.000       8.911   30 
-    960000      192000.00      38.268      10.422      48.690   5.59 0.000 1.000 0.227 0.353     347.183     390.000       8.108   30 
-    970000      194000.00      52.681      15.839      68.520   6.86 0.071 0.000 0.136 0.813     477.946     390.000       9.489   30 
-    980000      196000.00      42.345       8.043      50.388   4.79 0.000 1.000 0.439 0.611     384.180     390.000       7.187   30 
-    990000      198000.00      37.113       5.888      43.001   5.63 0.143 0.333 0.258 0.327     336.711     390.000       7.642   30 
-   1000000      200000.00      37.099      -5.114      31.985   5.01 0.000 1.000 0.295 0.256     336.584     390.000       8.610   30 
+         0           0.00      35.615     112.326     147.941  12.87 0.000   NaN   NaN 4.849     323.121     400.000      15.552   30 
+     10000        2000.00      43.548      12.156      55.704   6.30 0.071 0.500 0.205 1.159     395.089     400.000       9.612   30 
+     20000        4000.00      53.613      12.844      66.457   9.23 0.071 0.667 0.167 1.211     486.404     400.000      12.980   30 
+     30000        6000.00      40.493      11.091      51.583   7.13 0.143 0.000 0.159 0.808     367.373     400.000       9.871   30 
+     40000        8000.00      51.356      12.015      63.371   4.80 0.143 0.750 0.364 0.346     465.925     400.000       8.310   30 
+     50000       10000.00      50.745      20.658      71.403   6.77 0.000   NaN   NaN 0.583     460.385     400.000      12.044   30 
+     60000       12000.00      38.155      10.737      48.892   7.23 0.071 0.800 0.182 1.056     346.159     400.000       7.847   30 
+     70000       14000.00      31.385      14.379      45.764   4.71 0.000   NaN   NaN 0.256     284.740     400.000       9.389   30 
+     80000       16000.00      35.961      16.115      52.076   6.51 0.000 1.000 0.136 0.767     326.257     400.000      11.418   30 
+     90000       18000.00      45.794       8.112      53.906   9.55 0.000   NaN   NaN 0.846     415.470     400.000      12.528   30 
+    100000       20000.00      37.516      13.899      51.415  10.67 0.071 0.500 0.227 0.235     340.360     400.000      13.558   30 
+    110000       22000.00      38.550      12.260      50.809   7.64 0.000 1.000 0.205 1.100     349.741     390.000      11.192   30 
+    120000       24000.00      41.197      11.743      52.940   6.14 0.071 0.833 0.348 0.467     373.756     390.000       9.108   30 
+    130000       26000.00      38.022       6.960      44.983   7.65 0.143 0.750 0.261 0.422     344.957     390.000       9.068   30 
+    140000       28000.00      45.437       4.645      50.082   9.60 0.000 1.000 0.159 0.643     412.228     390.000      13.519   30 
+    150000       30000.00      46.334      13.809      60.143   7.65 0.000 1.000 0.197 1.139     420.369     390.000       8.269   30 
+    160000       32000.00      35.545       8.200      43.746   7.55 0.071 0.667 0.273 0.418     322.486     390.000       9.090   30 
+    170000       34000.00      48.229      24.984      73.214   9.57 0.071 0.667 0.167 0.656     437.561     390.000      11.417   30 
+    180000       36000.00      47.510      19.525      67.035  11.27 0.000   NaN   NaN 0.632     431.036     390.000      15.091   30 
+    190000       38000.00      37.245      10.059      47.304   5.26 0.143 0.500 0.352 0.413     337.906     390.000       8.686   30 
+    200000       40000.00      35.059      16.367      51.426   5.36 0.071 0.750 0.330 0.516     318.073     390.000       8.389   30 
+    210000       42000.00      38.286       4.203      42.489   6.33 0.000 1.000 0.292 0.149     347.348     390.000       8.214   30 
+    220000       44000.00      39.964       5.744      45.708   5.46 0.071 0.500 0.159 0.387     362.578     390.000       9.499   30 
+    230000       46000.00      33.388      11.463      44.851   6.57 0.000 1.000 0.273 0.671     302.915     390.000       9.873   30 
+    240000       48000.00      39.443      19.174      58.617   6.89 0.000 1.000 0.159 0.656     357.851     390.000      11.828   30 
+    250000       50000.00      37.580      25.512      63.092   6.48 0.000   NaN   NaN 1.467     340.949     390.000      11.436   30 
+    260000       52000.00      46.052      13.453      59.505   5.60 0.143 0.000 0.136 0.168     417.807     390.000      10.175   30 
+    270000       54000.00      32.243       5.003      37.246   8.11 0.000 1.000 0.216 0.377     292.528     390.000       9.589   30 
+    280000       56000.00      41.318       9.874      51.192   9.30 0.000   NaN   NaN 0.484     374.859     390.000      13.713   30 
+    290000       58000.00      44.284      -0.013      44.270   6.08 0.071 0.889 0.419 1.135     401.765     390.000       8.057   30 
+    300000       60000.00      40.147      22.919      63.066   6.41 0.071 0.800 0.391 0.551     364.236     390.000       8.945   30 
+    310000       62000.00      39.194       7.874      47.067   6.72 0.071 0.833 0.311 0.268     355.587     390.000       7.993   30 
+    320000       64000.00      44.467      11.404      55.871   6.98 0.000   NaN   NaN 0.285     403.424     390.000      10.792   30 
+    330000       66000.00      44.047       6.191      50.238   5.57 0.071 0.889 0.495 0.272     399.620     390.000       7.373   30 
+    340000       68000.00      33.090      14.728      47.818   5.78 0.071 0.667 0.152 0.371     300.213     390.000       9.225   30 
+    350000       70000.00      29.961       5.114      35.074   4.77 0.071 0.800 0.218 0.320     271.818     390.000       8.072   30 
+    360000       72000.00      38.235      17.493      55.728   8.27 0.000 1.000 0.227 1.259     346.888     390.000      11.306   30 
+    370000       74000.00      33.809      13.220      47.029   6.25 0.000 1.000 0.464 0.270     306.735     390.000       7.529   30 
+    380000       76000.00      37.848      14.424      52.272   4.98 0.000 1.000 0.545 0.286     343.377     390.000       8.509   30 
+    390000       78000.00      42.460      15.836      58.296   5.26 0.000 1.000 0.455 0.455     385.223     390.000       8.847   30 
+    400000       80000.00      47.228      14.354      61.582   6.95 0.143 0.000 0.136 0.812     428.472     390.000       9.858   30 
+    410000       82000.00      41.518      18.029      59.546   6.60 0.000 1.000 0.284 0.627     376.669     370.000       8.414   30 
+    420000       84000.00      26.664      13.281      39.945   7.97 0.000 1.000 0.394 0.291     241.909     370.000       7.925   30 
+    430000       86000.00      38.676      12.198      50.874   5.29 0.071 0.857 0.260 0.226     350.892     370.000       8.577   30 
+    440000       88000.00      45.989       7.051      53.040   5.01 0.143 0.000 0.455 0.658     417.238     370.000       9.149   30 
+    450000       90000.00      44.652      19.984      64.636   5.16 0.143 0.714 0.338 0.483     405.102     370.000       8.265   30 
+    460000       92000.00      29.978       2.285      32.264   7.15 0.143 0.600 0.182 0.683     271.978     370.000      10.237   30 
+    470000       94000.00      43.657      -4.456      39.202   4.75 0.214 0.750 0.432 0.449     396.081     370.000       7.303   30 
+    480000       96000.00      45.869       1.148      47.017   6.58 0.214 0.400 0.209 0.461     416.151     370.000       8.757   30 
+    490000       98000.00      39.541       3.376      42.917   6.25 0.000 1.000 0.477 0.855     358.734     370.000       7.605   30 
+    500000      100000.00      32.199      15.267      47.466   6.65 0.071 0.750 0.205 0.434     292.129     370.000      10.994   30 
+    510000      102000.00      42.431       0.931      43.362   5.78 0.143 0.714 0.305 0.184     384.953     360.000       7.201   30 
+    520000      104000.00      35.063       3.101      38.164   6.78 0.214 0.727 0.331 1.011     318.106     360.000       7.175   30 
+    530000      106000.00      40.056       2.772      42.828   7.02 0.000 1.000 0.205 0.598     363.412     360.000       9.094   30 
+    540000      108000.00      34.161       2.930      37.091   7.43 0.071 0.500 0.159 0.395     309.929     360.000      10.484   30 
+    550000      110000.00      37.325      -0.052      37.273   6.89 0.071 0.750 0.261 0.514     338.627     360.000       7.458   30 
+    560000      112000.00      31.635      -9.100      22.535   4.45 0.143 0.750 0.239 0.313     287.005     360.000       7.596   30 
+    570000      114000.00      40.068       1.360      41.428   8.95 0.143 0.600 0.164 0.416     363.519     360.000      10.815   30 
+    580000      116000.00      42.683       7.902      50.585   4.95 0.071 0.750 0.250 0.210     387.244     360.000       8.076   30 
+    590000      118000.00      32.570       3.382      35.953   4.29 0.000 1.000 0.364 1.409     295.496     360.000       8.583   30 
+    600000      120000.00      28.285      -2.089      26.196   4.66 0.071 0.800 0.164 0.614     256.617     360.000       8.920   30 
+    610000      122000.00      35.683      10.842      46.526   6.07 0.000 1.000 0.485 0.284     323.735     360.000       7.849   30 
+    620000      124000.00      29.096      11.260      40.355   6.45 0.071 0.667 0.242 0.211     263.971     360.000       9.728   30 
+    630000      126000.00      30.956       4.544      35.500   6.28 0.143 0.333 0.152 1.171     280.850     360.000       9.654   30 
+    640000      128000.00      36.348      -1.557      34.791   6.13 0.214 0.400 0.145 0.843     329.764     360.000       9.868   30 
+    650000      130000.00      29.557       2.960      32.517   7.58 0.143 0.667 0.212 0.359     268.156     360.000       8.266   30 
+    660000      132000.00      36.686       1.842      38.528   7.10 0.000 1.000 0.212 0.417     332.837     360.000       9.083   30 
+    670000      134000.00      38.731       9.720      48.452   8.11 0.000 1.000 0.182 1.187     351.391     360.000       9.557   30 
+    680000      136000.00      44.291       1.613      45.904   7.50 0.071 0.917 0.398 0.883     401.833     360.000       7.214   30 
+    690000      138000.00      34.176      -0.876      33.300   5.77 0.071 0.857 0.565 0.832     310.066     360.000       8.335   30 
+    700000      140000.00      28.042      -5.344      22.697   4.45 0.214 0.625 0.290 0.498     254.408     360.000       7.216   30 
+    710000      142000.00      42.967      -5.503      37.464   6.40 0.143 0.800 0.232 0.865     389.815     340.000       8.291   30 
+    720000      144000.00      41.991      -2.910      39.081   6.60 0.143 0.333 0.182 0.727     380.961     340.000       8.962   30 
+    730000      146000.00      35.497       2.360      37.857   4.36 0.286 0.667 0.311 0.984     322.051     340.000       7.238   30 
+    740000      148000.00      33.276      -3.267      30.009   4.35 0.214 0.667 0.505 0.201     301.897     340.000       7.241   30 
+    750000      150000.00      29.527       5.867      35.394   4.61 0.143 0.667 0.205 0.725     267.887     340.000       9.077   30 
+    760000      152000.00      41.034       3.913      44.947   5.02 0.071 0.800 0.191 0.248     372.283     340.000       8.654   30 
+    770000      154000.00      39.405      11.625      51.030   5.57 0.000 1.000 0.182 0.797     357.501     340.000      10.005   30 
+    780000      156000.00      37.412      -8.944      28.467   6.37 0.143 0.500 0.216 0.638     339.417     340.000       8.620   30 
+    790000      158000.00      41.288     -18.310      22.977   3.36 0.143 0.800 0.345 0.650     374.582     340.000       6.939   30 
+    800000      160000.00      40.317     -12.100      28.217   4.78 0.143 0.857 0.390 0.420     365.777     340.000       6.310   30 
+    810000      162000.00      29.752      -5.928      23.824   5.60 0.214 0.700 0.391 0.250     269.922     340.000       6.691   30 
+    820000      164000.00      30.467       2.703      33.170   6.96 0.071 0.857 0.175 0.367     276.410     340.000       9.986   30 
+    830000      166000.00      28.316     -10.171      18.145   4.67 0.214 0.786 0.308 0.960     256.898     340.000       7.288   30 
+    840000      168000.00      34.733      -2.884      31.848   4.64 0.143 0.667 0.205 0.611     315.113     340.000       7.420   30 
+    850000      170000.00      39.781     -11.973      27.808   3.99 0.143 0.800 0.377 1.001     360.912     340.000       6.595   30 
+    860000      172000.00      36.241      -3.729      32.512   6.78 0.143 0.667 0.167 0.341     328.801     340.000       9.183   30 
+    870000      174000.00      35.944       5.684      41.628   8.47 0.071 0.667 0.167 0.885     326.105     340.000      11.505   30 
+    880000      176000.00      31.915      -0.939      30.976   6.13 0.214 0.400 0.173 0.612     289.546     340.000       9.006   30 
+    890000      178000.00      36.700      -8.029      28.671   3.50 0.143 0.714 0.260 0.817     332.961     340.000       7.664   30 
+    900000      180000.00      40.733      -0.615      40.118   6.36 0.143 0.778 0.369 1.120     369.554     340.000       7.241   30 
+    910000      182000.00      43.850       9.339      53.190   8.23 0.071 0.500 0.205 1.647     397.833     350.000      10.507   30 
+    920000      184000.00      33.523      -1.300      32.223   5.01 0.214 0.750 0.288 0.577     304.134     350.000       7.764   30 
+    930000      186000.00      46.292      -7.631      38.660   3.71 0.214 0.625 0.295 0.776     419.982     350.000       7.250   30 
+    940000      188000.00      36.862      -5.809      31.053   4.34 0.143 0.778 0.338 0.499     334.434     350.000       7.047   30 
+    950000      190000.00      30.816      11.849      42.665   6.93 0.071 0.833 0.250 0.813     279.578     350.000       7.578   30 
+    960000      192000.00      33.614      -6.801      26.813   4.03 0.143 0.800 0.250 0.779     304.963     350.000       7.124   30 
+    970000      194000.00      48.080      11.103      59.183   5.85 0.143 0.600 0.464 0.580     436.207     350.000       7.511   30 
+    980000      196000.00      39.531       7.612      47.143   6.78 0.071 0.750 0.398 0.770     358.643     350.000       8.447   30 
+    990000      198000.00      33.448      13.068      46.516   7.12 0.071 0.750 0.273 0.590     303.454     350.000      10.067   30 
+   1000000      200000.00      31.540       2.795      34.335   4.74 0.000 1.000 0.344 0.295     286.150     350.000       7.281   30 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB031.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB031.stat
index 8fc48ef..8f4071e 100644
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB031.stat
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB031.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.660     114.373     142.033  12.87 0.000   NaN   NaN 4.850     250.946     320.000      15.552   31 
-     10000        2000.00      30.201     -12.244      17.957   4.93 0.071 0.833 0.227 0.651     273.999     320.000       7.956   31 
-     20000        4000.00      34.889     -16.308      18.581   3.25 0.286 0.714 0.377 0.505     316.529     320.000       6.930   31 
-     30000        6000.00      28.033     -11.128      16.905   6.51 0.071 0.889 0.298 0.544     254.327     320.000       6.985   31 
-     40000        8000.00      29.566      -6.128      23.438   4.54 0.071 0.857 0.260 0.456     268.237     320.000       7.726   31 
-     50000       10000.00      38.135      -5.289      32.846   6.29 0.143 0.800 0.314 0.480     345.980     320.000       7.876   31 
-     60000       12000.00      40.645      -1.379      39.266   5.65 0.071 0.889 0.253 0.691     368.752     320.000       7.352   31 
-     70000       14000.00      30.954      -9.022      21.932   3.09 0.500 0.500 0.325 0.395     280.833     320.000       7.096   31 
-     80000       16000.00      30.648     -10.820      19.828   6.25 0.071 0.889 0.212 0.274     278.051     320.000       7.320   31 
-     90000       18000.00      34.778     -19.747      15.032   3.12 0.286 0.636 0.223 1.038     315.528     320.000       7.683   31 
-    100000       20000.00      36.161     -15.188      20.973   3.84 0.357 0.583 0.269 0.347     328.075     320.000       7.069   31 
-    110000       22000.00      30.557     -19.483      11.075   3.69 0.214 0.769 0.231 0.804     277.232     310.000       7.174   31 
-    120000       24000.00      34.251     -20.473      13.778   3.07 0.286 0.667 0.288 0.641     310.740     310.000       6.932   31 
-    130000       26000.00      23.456     -20.776       2.680   6.03 0.143 0.818 0.318 0.766     212.807     310.000       7.162   31 
-    140000       28000.00      25.603     -25.778      -0.175   2.72 0.286 0.667 0.269 0.450     232.280     310.000       7.041   31 
-    150000       30000.00      25.408     -18.140       7.268   5.78 0.143 0.778 0.227 0.629     230.516     310.000       7.915   31 
-    160000       32000.00      32.856      -9.405      23.451   4.43 0.071 0.889 0.379 0.884     298.089     310.000       7.447   31 
-    170000       34000.00      45.047      -7.930      37.117   3.22 0.214 0.750 0.280 1.041     408.693     310.000       7.061   31 
-    180000       36000.00      27.032     -20.751       6.281   4.96 0.286 0.733 0.215 0.312     245.252     310.000       6.831   31 
-    190000       38000.00      34.589     -22.835      11.754   5.99 0.214 0.625 0.193 1.289     313.812     310.000       8.902   31 
-    200000       40000.00      31.482     -21.894       9.588   6.54 0.214 0.727 0.231 0.721     285.620     310.000       7.633   31 
-    210000       42000.00      32.212     -23.239       8.974   7.05 0.214 0.786 0.263 0.707     292.247     310.000       6.937   31 
-    220000       44000.00      30.248     -12.722      17.526   6.19 0.214 0.571 0.188 0.562     274.423     310.000       8.560   31 
-    230000       46000.00      35.936     -18.997      16.939   4.03 0.286 0.667 0.307 1.157     326.031     310.000       6.667   31 
-    240000       48000.00      29.077     -22.233       6.844   2.96 0.143 0.778 0.293 0.330     263.801     310.000       6.963   31 
-    250000       50000.00      31.100     -16.972      14.128   4.59 0.214 0.625 0.261 0.533     282.158     310.000       7.353   31 
-    260000       52000.00      32.155      -8.223      23.932   4.46 0.214 0.625 0.199 0.361     291.728     310.000       7.753   31 
-    270000       54000.00      31.760     -19.341      12.419   3.71 0.500 0.462 0.189 1.000     288.142     310.000       7.527   31 
-    280000       56000.00      37.681     -26.801      10.880   3.82 0.357 0.643 0.240 0.773     341.863     310.000       7.034   31 
-    290000       58000.00      24.765     -16.624       8.142   5.03 0.214 0.571 0.214 0.258     224.684     310.000       6.996   31 
-    300000       60000.00      35.479     -23.096      12.383   6.92 0.357 0.444 0.167 0.478     321.885     310.000       9.488   31 
-    310000       62000.00      27.722     -13.464      14.258   7.06 0.071 0.909 0.277 0.443     251.504     310.000       7.006   31 
-    320000       64000.00      27.056     -12.566      14.491   4.08 0.286 0.692 0.367 0.285     245.467     310.000       6.746   31 
-    330000       66000.00      33.949     -18.005      15.944   6.12 0.286 0.556 0.182 1.006     308.001     310.000       8.120   31 
-    340000       68000.00      24.735      -8.324      16.412   6.87 0.143 0.800 0.177 0.390     224.411     310.000       8.073   31 
-    350000       70000.00      46.672     -13.543      33.129   5.91 0.143 0.714 0.227 0.540     423.434     310.000       7.546   31 
-    360000       72000.00      28.977     -17.882      11.095   4.77 0.286 0.667 0.189 0.351     262.891     310.000       7.836   31 
-    370000       74000.00      33.446     -15.843      17.602   6.43 0.143 0.714 0.169 0.428     303.438     310.000       9.210   31 
-    380000       76000.00      30.401      -2.880      27.522   6.17 0.000 1.000 0.227 0.493     275.814     310.000       7.209   31 
-    390000       78000.00      33.422     -15.595      17.828   4.07 0.286 0.600 0.173 0.737     303.226     310.000       7.794   31 
-    400000       80000.00      26.691     -18.328       8.363   5.30 0.214 0.769 0.374 0.320     242.150     310.000       7.063   31 
-    410000       82000.00      44.000     -13.288      30.712   6.94 0.071 0.889 0.293 0.524     399.191     310.000       7.578   31 
-    420000       84000.00      35.837     -22.594      13.243   4.09 0.286 0.667 0.322 0.651     325.132     310.000       7.218   31 
-    430000       86000.00      36.836     -18.386      18.450   4.18 0.286 0.750 0.352 0.854     334.199     310.000       6.870   31 
-    440000       88000.00      29.468     -18.683      10.784   3.83 0.286 0.600 0.273 0.537     267.345     310.000       6.969   31 
-    450000       90000.00      32.670     -10.632      22.038   8.22 0.286 0.429 0.136 0.272     296.402     310.000      10.135   31 
-    460000       92000.00      30.105     -12.906      17.198   4.76 0.286 0.667 0.345 0.551     273.124     310.000       7.259   31 
-    470000       94000.00      37.068      -7.409      29.659   7.63 0.357 0.500 0.191 0.642     336.299     310.000       9.161   31 
-    480000       96000.00      36.630     -27.266       9.364   3.48 0.357 0.444 0.177 0.396     332.324     310.000       7.836   31 
-    490000       98000.00      24.220     -12.006      12.214   3.58 0.357 0.615 0.248 0.231     219.737     310.000       7.176   31 
-    500000      100000.00      29.254     -22.638       6.616   3.80 0.143 0.750 0.199 0.389     265.407     310.000       8.041   31 
-    510000      102000.00      25.928     -21.353       4.576   5.72 0.214 0.727 0.194 0.674     235.236     310.000       8.041   31 
-    520000      104000.00      23.037     -26.372      -3.335   3.73 0.357 0.615 0.182 0.499     209.004     310.000       6.857   31 
-    530000      106000.00      30.872      -9.390      21.482   3.63 0.071 0.857 0.266 0.292     280.090     310.000       7.543   31 
-    540000      108000.00      33.468     -26.380       7.088   4.04 0.214 0.667 0.187 0.668     303.639     310.000       7.644   31 
-    550000      110000.00      28.586     -24.665       3.921   3.19 0.214 0.769 0.273 0.416     259.344     310.000       6.794   31 
-    560000      112000.00      33.211     -24.420       8.792   3.84 0.143 0.778 0.182 1.171     301.310     310.000       7.218   31 
-    570000      114000.00      32.292     -19.653      12.639   8.70 0.286 0.429 0.156 0.912     292.970     310.000      10.699   31 
-    580000      116000.00      27.153     -33.039      -5.886   2.21 0.571 0.500 0.361 0.185     246.347     310.000       6.870   31 
-    590000      118000.00      31.861     -25.858       6.002   2.56 0.429 0.600 0.224 0.513     289.055     310.000       6.921   31 
-    600000      120000.00      36.613     -17.832      18.781   7.62 0.214 0.700 0.177 0.437     332.175     310.000       8.815   31 
-    610000      122000.00      30.331     -26.803       3.528   3.65 0.286 0.692 0.325 0.496     275.181     310.000       6.523   31 
-    620000      124000.00      37.659     -22.764      14.895   3.44 0.286 0.692 0.346 0.249     341.662     310.000       6.630   31 
-    630000      126000.00      34.263     -14.917      19.346   4.18 0.357 0.615 0.262 0.528     310.856     310.000       6.742   31 
-    640000      128000.00      26.622     -13.253      13.369   5.94 0.214 0.571 0.175 0.266     241.525     310.000       8.440   31 
-    650000      130000.00      31.386     -17.291      14.095   3.42 0.143 0.667 0.212 0.475     284.748     310.000       7.378   31 
-    660000      132000.00      33.755     -28.082       5.673   4.15 0.286 0.556 0.232 0.903     306.246     310.000       7.385   31 
-    670000      134000.00      28.874     -11.574      17.300   4.64 0.286 0.500 0.165 0.440     261.956     310.000       7.923   31 
-    680000      136000.00      29.692     -14.259      15.433   3.77 0.429 0.500 0.182 0.435     269.383     310.000       7.828   31 
-    690000      138000.00      28.753     -30.906      -2.153   2.93 0.357 0.706 0.278 0.437     260.865     310.000       6.773   31 
-    700000      140000.00      34.176      -8.133      26.044   4.63 0.071 0.917 0.277 0.334     310.066     310.000       6.438   31 
-    710000      142000.00      35.382     -10.421      24.960   4.14 0.214 0.571 0.156 0.372     321.000     320.000       8.784   31 
-    720000      144000.00      27.257     -12.768      14.489   4.12 0.214 0.667 0.232 0.291     247.289     320.000       7.183   31 
-    730000      146000.00      27.177     -15.683      11.494   3.39 0.143 0.800 0.214 0.404     246.567     320.000       7.165   31 
-    740000      148000.00      25.240     -18.361       6.879   4.40 0.143 0.667 0.159 0.372     228.994     320.000       7.947   31 
-    750000      150000.00      41.326     -16.977      24.349   4.52 0.143 0.778 0.273 1.103     374.931     320.000       7.042   31 
-    760000      152000.00      28.472     -14.085      14.388   2.33 0.357 0.615 0.241 0.856     258.317     320.000       7.218   31 
-    770000      154000.00      38.417     -14.013      24.404   3.25 0.214 0.769 0.266 0.260     348.535     320.000       6.945   31 
-    780000      156000.00      31.345     -14.734      16.611   4.04 0.143 0.818 0.306 0.570     284.380     320.000       6.746   31 
-    790000      158000.00      31.030     -13.313      17.717   6.07 0.143 0.800 0.291 0.267     281.521     320.000       7.640   31 
-    800000      160000.00      27.831       0.271      28.102   4.33 0.214 0.700 0.309 0.365     252.497     320.000       7.279   31 
-    810000      162000.00      35.656      -7.181      28.475   6.06 0.143 0.600 0.164 0.510     323.493     330.000       8.165   31 
-    820000      164000.00      29.310      -7.615      21.695   3.44 0.071 0.857 0.338 0.798     265.917     330.000       7.528   31 
-    830000      166000.00      42.908       8.551      51.459   7.92 0.143 0.667 0.280 0.545     389.286     330.000       9.774   31 
-    840000      168000.00      33.733       2.127      35.859   4.56 0.071 0.875 0.193 0.508     306.041     330.000       8.283   31 
-    850000      170000.00      31.760       0.498      32.258   6.42 0.000 1.000 0.369 0.646     288.144     330.000       6.980   31 
-    860000      172000.00      33.195     -11.360      21.834   3.39 0.143 0.833 0.322 0.545     301.158     330.000       7.548   31 
-    870000      174000.00      38.446      -3.675      34.770   5.98 0.214 0.500 0.174 0.389     348.798     330.000       8.650   31 
-    880000      176000.00      33.002      -0.659      32.343   5.02 0.214 0.500 0.212 0.546     299.411     330.000       8.925   31 
-    890000      178000.00      42.190       3.402      45.593   6.70 0.143 0.667 0.182 0.909     382.773     330.000       9.455   31 
-    900000      180000.00      31.290     -10.774      20.516   3.34 0.214 0.500 0.189 1.003     283.876     330.000       7.786   31 
-    910000      182000.00      35.294      -8.971      26.323   3.75 0.143 0.714 0.305 0.688     320.206     320.000       7.319   31 
-    920000      184000.00      32.621     -10.623      21.998   3.73 0.071 0.857 0.279 0.315     295.959     320.000       7.145   31 
-    930000      186000.00      34.494      -4.553      29.940   4.84 0.143 0.800 0.314 0.654     312.944     320.000       6.714   31 
-    940000      188000.00      36.505     -17.295      19.210   3.90 0.214 0.625 0.193 0.384     331.196     320.000       7.244   31 
-    950000      190000.00      20.755     -16.195       4.560   2.30 0.429 0.400 0.336 0.794     188.302     320.000       6.746   31 
-    960000      192000.00      31.962     -15.434      16.528   5.30 0.214 0.500 0.159 0.384     289.978     320.000       9.020   31 
-    970000      194000.00      33.097     -16.978      16.119   4.34 0.143 0.857 0.344 0.833     300.270     320.000       6.567   31 
-    980000      196000.00      25.338     -17.074       8.264   4.72 0.214 0.571 0.208 0.580     229.878     320.000       7.684   31 
-    990000      198000.00      24.493      13.777      38.271   6.25 0.000 1.000 0.278 0.228     222.216     320.000       7.795   31 
-   1000000      200000.00      33.786     -18.971      14.815   2.59 0.357 0.615 0.248 0.749     306.521     320.000       7.098   31 
+         0           0.00      34.575     112.326     146.901  12.87 0.000   NaN   NaN 4.849     313.682     400.000      15.552   31 
+     10000        2000.00      36.443      18.371      54.814  11.04 0.071 0.000 0.136 0.281     330.628     400.000      14.313   31 
+     20000        4000.00      41.490       0.447      41.937   4.64 0.143 0.714 0.188 0.525     376.419     400.000       8.524   31 
+     30000        6000.00      39.287      12.776      52.063   7.85 0.000   NaN   NaN 0.804     356.428     400.000      12.103   31 
+     40000        8000.00      38.271      19.713      57.984   5.68 0.071 0.500 0.227 0.436     347.212     400.000      10.288   31 
+     50000       10000.00      46.538      16.496      63.034   4.42 0.000 1.000 0.300 0.804     422.216     400.000       8.558   31 
+     60000       12000.00      48.628       9.430      58.058   8.39 0.000 1.000 0.250 1.373     441.179     400.000      11.536   31 
+     70000       14000.00      41.481      -0.607      40.874   6.76 0.143 0.800 0.327 0.352     376.340     400.000       7.392   31 
+     80000       16000.00      37.613      23.199      60.813   9.10 0.000 1.000 0.250 0.459     341.247     400.000      11.637   31 
+     90000       18000.00      43.529      15.560      59.089   8.19 0.071 0.500 0.250 1.011     394.914     400.000      11.694   31 
+    100000       20000.00      41.600      19.846      61.446   8.91 0.000 1.000 0.205 0.617     377.414     400.000      12.678   31 
+    110000       22000.00      40.145      11.287      51.431   8.10 0.000 1.000 0.136 0.877     364.214     400.000      10.797   31 
+    120000       24000.00      49.536      16.393      65.929   6.12 0.000 1.000 0.295 0.213     449.412     400.000       8.534   31 
+    130000       26000.00      28.921      13.176      42.097   6.56 0.000 1.000 0.182 1.137     262.390     400.000      10.064   31 
+    140000       28000.00      33.171      11.763      44.935   6.90 0.000 1.000 0.167 0.358     300.948     400.000       9.079   31 
+    150000       30000.00      36.088      -0.149      35.939   7.23 0.143 0.000 0.205 0.617     327.410     400.000      10.898   31 
+    160000       32000.00      42.954      10.835      53.790   9.48 0.000 1.000 0.182 0.512     389.705     400.000      13.287   31 
+    170000       34000.00      56.868       7.838      64.706   5.43 0.214 0.500 0.356 1.105     515.939     400.000       8.547   31 
+    180000       36000.00      36.950      14.876      51.826   5.90 0.071 0.500 0.159 0.383     335.228     400.000       9.791   31 
+    190000       38000.00      43.818      19.506      63.324  12.57 0.000   NaN   NaN 0.397     397.543     400.000      16.423   31 
+    200000       40000.00      41.861       8.827      50.689   6.29 0.000 1.000 0.527 0.613     379.785     400.000       8.061   31 
+    210000       42000.00      43.410       8.289      51.698   7.17 0.214 0.667 0.268 0.869     393.834     380.000       7.652   31 
+    220000       44000.00      37.148       9.974      47.122   6.12 0.071 0.833 0.265 1.049     337.022     380.000       8.362   31 
+    230000       46000.00      42.509      12.501      55.010   4.81 0.143 0.500 0.193 0.814     385.665     380.000       8.372   31 
+    240000       48000.00      38.345      15.848      54.193   8.30 0.000 1.000 0.205 0.344     347.887     380.000      10.937   31 
+    250000       50000.00      38.276      28.717      66.993   7.81 0.000   NaN   NaN 0.848     347.263     380.000      11.452   31 
+    260000       52000.00      36.386      15.118      51.504  10.66 0.000 1.000 0.182 0.312     330.109     380.000      14.622   31 
+    270000       54000.00      36.542      16.344      52.885   5.92 0.071 0.750 0.205 0.513     331.524     380.000       9.011   31 
+    280000       56000.00      44.059       7.507      51.567   6.48 0.071 0.857 0.286 0.779     399.730     380.000       8.189   31 
+    290000       58000.00      28.983      11.338      40.321   5.60 0.071 0.800 0.218 1.278     262.947     380.000       8.062   31 
+    300000       60000.00      43.898      15.265      59.163   5.59 0.071 0.000 0.136 0.584     398.267     380.000       9.890   31 
+    310000       62000.00      33.328       8.307      41.635   7.67 0.071 0.800 0.209 0.747     302.370     400.000      10.049   31 
+    320000       64000.00      32.491      13.383      45.874   6.88 0.000   NaN   NaN 0.894     294.773     400.000      10.286   31 
+    330000       66000.00      44.604      16.593      61.196   5.55 0.071 0.750 0.261 0.504     404.668     400.000       8.887   31 
+    340000       68000.00      31.247      20.165      51.412   5.90 0.143 0.500 0.284 0.223     283.486     400.000       8.423   31 
+    350000       70000.00      55.925       6.870      62.794   7.24 0.143 0.600 0.182 0.626     507.378     400.000       8.898   31 
+    360000       72000.00      37.773      19.387      57.159   6.37 0.143 0.600 0.155 0.602     342.692     400.000       9.590   31 
+    370000       74000.00      45.111       1.453      46.564   6.11 0.071 0.833 0.273 0.671     409.267     400.000       8.302   31 
+    380000       76000.00      36.523       9.521      46.045   7.11 0.071 0.750 0.330 0.800     331.359     400.000       7.663   31 
+    390000       78000.00      40.693      15.103      55.797   7.30 0.143 0.667 0.174 0.476     369.190     400.000      10.073   31 
+    400000       80000.00      33.448      20.456      53.905   6.35 0.071 0.500 0.182 0.830     303.462     400.000       9.842   31 
+    410000       82000.00      49.939      12.250      62.189   5.73 0.000 1.000 0.182 0.697     453.077     400.000       9.673   31 
+    420000       84000.00      45.876       7.906      53.783   4.29 0.071 0.909 0.380 0.534     416.213     400.000       7.190   31 
+    430000       86000.00      45.416      14.927      60.343   9.72 0.214 0.500 0.159 1.317     412.035     400.000      12.891   31 
+    440000       88000.00      40.719      12.037      52.755  10.63 0.000   NaN   NaN 0.678     369.422     400.000      14.773   31 
+    450000       90000.00      40.646      20.009      60.655   8.35 0.071 0.500 0.227 0.883     368.758     400.000       9.410   31 
+    460000       92000.00      40.605       8.244      48.849   7.61 0.000 1.000 0.273 0.419     368.390     400.000      11.118   31 
+    470000       94000.00      39.861      10.698      50.558  11.70 0.143 0.333 0.136 0.560     361.636     400.000      14.529   31 
+    480000       96000.00      40.888      11.847      52.735   5.06 0.071 0.500 0.227 1.205     370.960     400.000       9.710   31 
+    490000       98000.00      35.463       8.248      43.711   7.04 0.071 0.875 0.273 0.291     321.738     400.000       8.078   31 
+    500000      100000.00      38.811       8.056      46.866   8.24 0.071 0.500 0.136 0.371     352.111     400.000      10.256   31 
+    510000      102000.00      32.938       1.710      34.647   4.48 0.286 0.556 0.242 0.553     298.829     390.000       8.014   31 
+    520000      104000.00      26.032       8.494      34.526   5.66 0.143 0.000 0.182 0.672     236.177     390.000       9.114   31 
+    530000      106000.00      36.786       4.842      41.628   5.77 0.000 1.000 0.331 0.324     333.742     390.000       9.185   31 
+    540000      108000.00      39.638      13.455      53.093   9.95 0.143 0.333 0.152 0.665     359.616     390.000      13.916   31 
+    550000      110000.00      36.740      -0.410      36.330   7.37 0.000 1.000 0.227 0.293     333.325     390.000       9.728   31 
+    560000      112000.00      43.280       9.472      52.752   5.68 0.071 0.857 0.351 0.794     392.656     390.000       8.532   31 
+    570000      114000.00      39.996       0.529      40.524   4.94 0.143 0.714 0.201 0.397     362.860     390.000       7.540   31 
+    580000      116000.00      32.157      19.973      52.130   6.05 0.143 0.500 0.182 0.487     291.748     390.000      10.353   31 
+    590000      118000.00      42.732       4.424      47.156   5.46 0.000 1.000 0.591 0.348     387.687     390.000       9.601   31 
+    600000      120000.00      44.249      10.956      55.205   5.63 0.000 1.000 0.250 0.916     401.445     390.000       9.600   31 
+    610000      122000.00      33.231      13.946      47.177   3.86 0.214 0.625 0.267 0.540     301.486     380.000       7.381   31 
+    620000      124000.00      42.667       6.510      49.177   5.92 0.071 0.667 0.167 0.505     387.097     380.000      10.061   31 
+    630000      126000.00      41.286       6.224      47.510   7.75 0.000 1.000 0.364 0.307     374.569     380.000       8.991   31 
+    640000      128000.00      28.861      15.741      44.602  10.83 0.071 0.000 0.136 0.228     261.843     380.000      14.546   31 
+    650000      130000.00      38.450      10.299      48.749   6.37 0.143 0.500 0.261 0.997     348.840     380.000       9.119   31 
+    660000      132000.00      42.477       5.935      48.412   5.93 0.071 0.500 0.295 0.792     385.369     380.000       9.784   31 
+    670000      134000.00      36.534       7.596      44.130   6.89 0.000 1.000 0.409 0.322     331.456     380.000       8.994   31 
+    680000      136000.00      33.223      20.758      53.981   9.08 0.000 1.000 0.159 0.862     301.412     380.000      11.462   31 
+    690000      138000.00      34.281       8.993      43.275   7.59 0.000 1.000 0.227 0.581     311.019     380.000      11.713   31 
+    700000      140000.00      37.385       9.066      46.451   4.99 0.071 0.800 0.318 0.667     339.173     380.000       8.258   31 
+    710000      142000.00      41.852       1.622      43.474   6.89 0.143 0.000 0.182 0.266     379.704     360.000       8.875   31 
+    720000      144000.00      32.787       7.406      40.193   5.81 0.000 1.000 0.205 0.557     297.460     360.000       9.908   31 
+    730000      146000.00      36.982       6.497      43.479   6.65 0.000 1.000 0.291 0.521     335.521     360.000       8.414   31 
+    740000      148000.00      25.962       6.675      32.638   6.75 0.071 0.000 0.136 1.513     235.543     360.000      10.743   31 
+    750000      150000.00      45.181      14.022      59.202   8.30 0.071 0.750 0.239 0.343     409.901     360.000       9.810   31 
+    760000      152000.00      33.948      -1.204      32.745   4.62 0.071 0.800 0.300 0.219     307.997     360.000       7.563   31 
+    770000      154000.00      38.089      20.425      58.514   5.85 0.000 1.000 0.727 0.647     345.563     360.000       9.733   31 
+    780000      156000.00      37.734       9.333      47.068   4.44 0.071 0.800 0.182 0.400     342.347     360.000       8.117   31 
+    790000      158000.00      32.428      -9.552      22.875   3.44 0.071 0.833 0.174 0.529     294.201     360.000       8.409   31 
+    800000      160000.00      35.512       7.149      42.661   5.22 0.143 0.778 0.308 1.184     322.185     360.000       7.992   31 
+    810000      162000.00      46.917       9.177      56.094   7.72 0.071 0.667 0.182 0.553     425.651     400.000      10.556   31 
+    820000      164000.00      34.553      13.673      48.225   7.29 0.286 0.600 0.195 0.305     313.479     400.000       9.481   31 
+    830000      166000.00      51.078      12.883      63.962   9.62 0.000 1.000 0.205 0.659     463.408     400.000      12.436   31 
+    840000      168000.00      44.382       9.175      53.556   5.13 0.071 0.000 0.136 0.525     402.653     400.000       9.480   31 
+    850000      170000.00      42.479      12.041      54.519   7.79 0.071 0.750 0.273 0.462     385.388     400.000       8.812   31 
+    860000      172000.00      40.173       8.546      48.719   4.16 0.071 0.667 0.182 0.413     364.466     400.000       8.387   31 
+    870000      174000.00      46.226      10.848      57.073   5.29 0.000 1.000 0.205 0.421     419.385     400.000       8.577   31 
+    880000      176000.00      38.883       9.044      47.927   8.38 0.000 1.000 0.261 0.543     352.769     400.000      10.427   31 
+    890000      178000.00      49.793      11.178      60.971   6.08 0.000 1.000 0.182 0.604     451.747     400.000       8.345   31 
+    900000      180000.00      40.981      16.144      57.125   6.44 0.071 0.000 0.136 0.169     371.800     400.000       8.849   31 
+    910000      182000.00      44.642      15.418      60.060   5.79 0.143 0.600 0.145 0.230     405.018     400.000       8.515   31 
+    920000      184000.00      38.322      14.714      53.036   6.44 0.000   NaN   NaN 1.232     347.677     400.000      10.530   31 
+    930000      186000.00      44.753      14.325      59.079   6.12 0.000 1.000 0.318 0.323     406.024     400.000      10.695   31 
+    940000      188000.00      44.603       8.619      53.222   5.33 0.000 1.000 0.136 0.350     404.663     400.000       9.350   31 
+    950000      190000.00      28.406       0.610      29.016   5.27 0.214 0.500 0.409 0.269     257.713     400.000       7.526   31 
+    960000      192000.00      43.768       6.038      49.806   6.90 0.071 0.857 0.409 0.390     397.086     400.000       7.453   31 
+    970000      194000.00      41.826      14.320      56.146   6.79 0.000 1.000 0.455 0.719     379.463     400.000       8.930   31 
+    980000      196000.00      31.695      18.917      50.612   5.55 0.071 0.800 0.236 0.577     287.552     400.000       8.324   31 
+    990000      198000.00      33.735      14.204      47.940   4.66 0.071 0.667 0.167 0.285     306.063     400.000       8.823   31 
+   1000000      200000.00      41.925       8.145      50.070   4.98 0.071 0.750 0.330 0.306     380.361     400.000       8.070   31 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB032.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB032.stat
deleted file mode 100644
index c16c161..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB032.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      34.105     114.043     148.148  12.87 0.000   NaN   NaN 4.850     309.420     330.000      15.552   32 
-     10000        2000.00      38.891      -5.717      33.174   4.30 0.357 0.583 0.299 0.743     352.842     330.000       7.007   32 
-     20000        4000.00      41.274     -14.678      26.596   5.09 0.214 0.571 0.208 0.653     374.462     330.000       7.731   32 
-     30000        6000.00      39.104      10.010      49.114   6.43 0.143 0.500 0.136 0.410     354.772     330.000       8.932   32 
-     40000        8000.00      32.083      -8.883      23.200   6.17 0.214 0.500 0.167 0.414     291.073     330.000       9.432   32 
-     50000       10000.00      31.095     -11.396      19.698   4.56 0.214 0.625 0.210 1.067     282.106     330.000       7.913   32 
-     60000       12000.00      40.451      -9.259      31.192   3.72 0.071 0.909 0.302 0.239     366.990     330.000       7.053   32 
-     70000       14000.00      38.979     -13.454      25.524   5.70 0.143 0.667 0.174 0.335     353.634     330.000       9.060   32 
-     80000       16000.00      35.790      -5.500      30.290   5.63 0.071 0.857 0.240 0.427     324.702     330.000       7.591   32 
-     90000       18000.00      34.896      -2.550      32.346   4.08 0.214 0.750 0.379 0.393     316.595     330.000       7.509   32 
-    100000       20000.00      39.433     -22.511      16.922   3.05 0.357 0.375 0.267 0.264     357.760     330.000       6.917   32 
-    110000       22000.00      23.810      -7.913      15.897   3.55 0.143 0.750 0.284 0.470     216.017     320.000       7.387   32 
-    120000       24000.00      39.220      -6.329      32.891   4.63 0.071 0.857 0.214 0.487     355.823     320.000       7.756   32 
-    130000       26000.00      23.145     -27.218      -4.073   3.23 0.357 0.615 0.266 0.399     209.982     320.000       6.713   32 
-    140000       28000.00      35.664     -18.922      16.743   7.07 0.214 0.500 0.159 0.409     323.566     320.000       9.128   32 
-    150000       30000.00      36.321     -12.512      23.809   3.09 0.357 0.545 0.335 0.452     329.525     320.000       6.888   32 
-    160000       32000.00      27.557     -11.213      16.344   4.99 0.071 0.875 0.244 0.207     250.009     320.000       7.379   32 
-    170000       34000.00      32.492     -10.554      21.939   3.39 0.214 0.625 0.182 0.907     294.788     320.000       7.445   32 
-    180000       36000.00      35.570      -9.987      25.583   5.35 0.143 0.667 0.189 0.536     322.708     320.000       8.525   32 
-    190000       38000.00      30.371      -7.083      23.288   3.65 0.143 0.500 0.182 0.335     275.542     320.000       7.526   32 
-    200000       40000.00      29.449      -9.439      20.010   6.41 0.143 0.867 0.255 0.458     267.175     320.000       7.501   32 
-    210000       42000.00      25.090      -0.597      24.493   4.16 0.071 0.900 0.459 0.326     227.631     310.000       7.140   32 
-    220000       44000.00      30.022     -16.761      13.261   5.02 0.214 0.786 0.299 0.129     272.378     310.000       7.638   32 
-    230000       46000.00      24.644     -16.313       8.331   4.61 0.071 0.875 0.278 0.460     223.583     310.000       7.942   32 
-    240000       48000.00      33.595     -28.090       5.505   3.21 0.143 0.778 0.268 0.671     304.794     310.000       6.943   32 
-    250000       50000.00      36.739     -20.750      15.989   2.57 0.143 0.800 0.295 0.609     333.319     310.000       7.269   32 
-    260000       52000.00      27.460     -11.890      15.571   5.60 0.286 0.429 0.169 0.342     249.132     310.000       9.266   32 
-    270000       54000.00      29.369     -12.275      17.094   4.40 0.214 0.571 0.182 0.704     266.449     310.000       8.068   32 
-    280000       56000.00      31.562     -23.858       7.704   3.17 0.214 0.727 0.244 0.371     286.348     310.000       7.204   32 
-    290000       58000.00      31.356     -18.378      12.978   2.91 0.357 0.545 0.211 0.378     284.482     310.000       7.292   32 
-    300000       60000.00      33.736     -17.043      16.693   4.94 0.286 0.556 0.187 0.813     306.073     310.000       8.281   32 
-    310000       62000.00      36.541      -8.203      28.338   3.94 0.214 0.500 0.318 1.426     331.521     320.000       7.468   32 
-    320000       64000.00      36.287      -7.933      28.354   5.24 0.143 0.778 0.303 0.467     329.211     320.000       7.399   32 
-    330000       66000.00      36.936     -13.935      23.001   3.08 0.214 0.625 0.330 0.864     335.102     320.000       7.081   32 
-    340000       68000.00      30.738     -14.191      16.547   5.55 0.357 0.545 0.434 0.513     278.871     320.000       6.889   32 
-    350000       70000.00      25.669      -3.820      21.848   6.97 0.000 1.000 0.227 0.227     232.880     320.000       7.878   32 
-    360000       72000.00      35.074      -5.571      29.503   7.23 0.071 0.875 0.278 0.326     318.213     320.000       7.638   32 
-    370000       74000.00      38.317     -16.280      22.036   6.41 0.071 0.900 0.277 0.511     347.629     320.000       8.340   32 
-    380000       76000.00      35.653     -13.887      21.766   4.50 0.071 0.889 0.434 0.503     323.458     320.000       7.060   32 
-    390000       78000.00      36.506     -19.042      17.465   2.63 0.429 0.625 0.273 0.331     331.202     320.000       7.226   32 
-    400000       80000.00      36.146      -8.769      27.377   5.65 0.071 0.857 0.331 0.513     327.936     320.000       8.323   32 
-    410000       82000.00      29.789     -22.673       7.116   3.99 0.214 0.667 0.313 0.288     270.260     310.000       6.876   32 
-    420000       84000.00      31.506     -10.888      20.617   5.12 0.143 0.800 0.355 0.319     285.835     310.000       7.119   32 
-    430000       86000.00      30.886     -17.229      13.657   5.11 0.286 0.556 0.278 0.326     280.214     310.000       7.776   32 
-    440000       88000.00      36.409     -18.011      18.397   7.42 0.286 0.556 0.172 1.094     330.319     310.000       7.991   32 
-    450000       90000.00      30.331     -21.755       8.575   3.65 0.286 0.556 0.202 0.501     275.177     310.000       7.769   32 
-    460000       92000.00      35.925     -20.559      15.367   4.78 0.143 0.750 0.199 0.644     325.933     310.000       7.713   32 
-    470000       94000.00      29.743     -22.411       7.332   3.09 0.357 0.375 0.205 0.239     269.844     310.000       7.303   32 
-    480000       96000.00      30.309     -26.390       3.919   2.66 0.357 0.545 0.273 0.604     274.975     310.000       7.119   32 
-    490000       98000.00      23.596     -24.013      -0.416   4.62 0.143 0.800 0.209 0.694     214.079     310.000       7.032   32 
-    500000      100000.00      30.899     -32.723      -1.824   3.13 0.571 0.429 0.214 0.228     280.335     310.000       6.888   32 
-    510000      102000.00      34.271     -21.484      12.787   4.04 0.357 0.615 0.287 0.927     310.923     310.000       6.835   32 
-    520000      104000.00      31.895      -1.788      30.107   3.78 0.143 0.500 0.148 0.339     289.371     310.000       8.188   32 
-    530000      106000.00      29.334     -15.550      13.784   3.38 0.214 0.625 0.222 0.595     266.131     310.000       7.282   32 
-    540000      108000.00      27.893      -3.190      24.703   3.72 0.214 0.571 0.195 0.215     253.060     310.000       7.583   32 
-    550000      110000.00      24.499     -30.988      -6.489   2.83 0.429 0.455 0.368 0.422     222.267     310.000       7.070   32 
-    560000      112000.00      31.840     -14.470      17.371   3.84 0.429 0.571 0.321 0.769     288.873     310.000       6.840   32 
-    570000      114000.00      41.800     -17.971      23.829   3.33 0.429 0.455 0.298 0.616     379.230     310.000       6.844   32 
-    580000      116000.00      33.467     -20.916      12.551   4.10 0.357 0.643 0.302 0.998     303.627     310.000       6.770   32 
-    590000      118000.00      27.088     -27.780      -0.692   2.74 0.357 0.500 0.241 0.589     245.755     310.000       7.124   32 
-    600000      120000.00      29.808     -16.021      13.787   3.46 0.143 0.600 0.191 1.102     270.434     310.000       6.880   32 
-    610000      122000.00      33.868     -20.323      13.544   3.80 0.357 0.737 0.388 0.326     307.264     310.000       6.454   32 
-    620000      124000.00      32.976     -26.105       6.871   4.31 0.143 0.846 0.357 0.285     299.176     310.000       6.675   32 
-    630000      126000.00      34.075     -11.925      22.150   5.18 0.214 0.800 0.248 0.500     309.143     310.000       6.527   32 
-    640000      128000.00      31.234       3.365      34.599   5.36 0.071 0.667 0.167 0.281     283.369     310.000       8.979   32 
-    650000      130000.00      31.691     -12.486      19.205   3.64 0.286 0.429 0.162 0.287     287.516     310.000       7.257   32 
-    660000      132000.00      26.740      -5.843      20.896   5.74 0.214 0.571 0.162 0.468     242.597     310.000       9.395   32 
-    670000      134000.00      31.286      -9.198      22.088   5.47 0.143 0.750 0.210 0.553     283.844     310.000       8.398   32 
-    680000      136000.00      33.479     -19.007      14.472   2.93 0.357 0.375 0.324 0.598     303.741     310.000       6.773   32 
-    690000      138000.00      37.113     -12.157      24.956   5.21 0.214 0.500 0.159 0.705     336.704     310.000       9.279   32 
-    700000      140000.00      37.657      -4.817      32.839   6.59 0.071 0.857 0.234 1.057     341.640     310.000       8.494   32 
-    710000      142000.00      36.721     -12.889      23.833   5.85 0.214 0.625 0.153 0.384     333.155     310.000       8.967   32 
-    720000      144000.00      26.477      -8.910      17.566   5.92 0.143 0.714 0.214 0.424     240.209     310.000       7.751   32 
-    730000      146000.00      25.364      -4.340      21.024   6.25 0.143 0.750 0.381 0.553     230.111     310.000       7.613   32 
-    740000      148000.00      29.166     -10.941      18.225   5.92 0.214 0.625 0.199 0.512     264.609     310.000       8.607   32 
-    750000      150000.00      38.536     -13.766      24.769   6.48 0.071 0.857 0.286 0.504     349.615     310.000       8.043   32 
-    760000      152000.00      31.021     -17.220      13.801   4.02 0.143 0.800 0.309 0.637     281.440     310.000       6.702   32 
-    770000      154000.00      28.705     -14.006      14.699   4.28 0.143 0.600 0.191 0.281     260.431     310.000       8.698   32 
-    780000      156000.00      28.924     -26.049       2.875   2.99 0.214 0.727 0.339 0.843     262.410     310.000       7.373   32 
-    790000      158000.00      29.669     -17.676      11.993   2.79 0.357 0.583 0.269 0.113     269.171     310.000       7.818   32 
-    800000      160000.00      33.822     -17.094      16.728   6.33 0.214 0.625 0.278 0.632     306.847     310.000       7.575   32 
-    810000      162000.00      34.239     -20.200      14.039   2.02 0.357 0.545 0.264 0.455     310.632     330.000       7.081   32 
-    820000      164000.00      35.990       4.354      40.344   7.23 0.071 0.833 0.235 0.316     326.524     330.000       9.127   32 
-    830000      166000.00      39.546      -6.746      32.800   3.97 0.214 0.786 0.393 0.651     358.781     330.000       7.089   32 
-    840000      168000.00      31.707       0.738      32.445   7.65 0.143 0.667 0.174 0.305     287.663     330.000       9.199   32 
-    850000      170000.00      40.995      -7.378      33.618   4.22 0.071 0.750 0.193 0.470     371.932     330.000       7.996   32 
-    860000      172000.00      30.277      -7.226      23.051   4.36 0.286 0.636 0.347 0.235     274.691     330.000       7.221   32 
-    870000      174000.00      40.621       3.499      44.120   5.06 0.143 0.333 0.167 1.234     368.533     330.000       9.142   32 
-    880000      176000.00      42.450      -5.065      37.385   4.21 0.286 0.500 0.330 0.344     385.127     330.000       7.179   32 
-    890000      178000.00      35.447       8.899      44.346   4.61 0.000 1.000 0.250 0.694     321.593     330.000       7.952   32 
-    900000      180000.00      35.780      -3.026      32.755   6.15 0.000 1.000 0.205 0.622     324.619     330.000      10.250   32 
-    910000      182000.00      31.464     -12.697      18.768   6.68 0.286 0.600 0.177 0.399     285.462     320.000       8.775   32 
-    920000      184000.00      34.801      -6.635      28.166   3.02 0.143 0.750 0.261 1.115     315.734     320.000       6.985   32 
-    930000      186000.00      28.353      -8.043      20.310   4.59 0.286 0.556 0.389 0.525     257.231     320.000       6.726   32 
-    940000      188000.00      32.860     -11.643      21.217   4.12 0.143 0.833 0.288 0.508     298.125     320.000       6.548   32 
-    950000      190000.00      28.360      -7.680      20.680   6.76 0.000 1.000 0.327 0.479     257.298     320.000       7.213   32 
-    960000      192000.00      29.872     -15.689      14.184   4.01 0.286 0.556 0.273 0.373     271.016     320.000       7.255   32 
-    970000      194000.00      38.635     -17.731      20.904   5.32 0.214 0.625 0.165 0.591     350.516     320.000       8.666   32 
-    980000      196000.00      21.533     -16.735       4.798   3.86 0.286 0.692 0.280 0.385     195.357     320.000       6.574   32 
-    990000      198000.00      35.714      -8.383      27.331   6.18 0.071 0.857 0.487 0.745     324.014     320.000       6.927   32 
-   1000000      200000.00      29.249     -16.723      12.526   4.37 0.071 0.875 0.284 0.568     265.363     320.000       7.129   32 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB033.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB033.stat
deleted file mode 100644
index 22b9ab0..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB033.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      30.730     114.043     144.773  12.87 0.000   NaN   NaN 4.850     278.797     330.000      15.552   33 
-     10000        2000.00      36.841     -14.554      22.288   6.09 0.071 0.875 0.307 0.794     334.244     330.000       7.236   33 
-     20000        4000.00      31.926     -13.310      18.615   3.16 0.143 0.778 0.354 0.872     289.646     330.000       7.164   33 
-     30000        6000.00      28.194      -9.061      19.133   5.18 0.143 0.750 0.273 0.196     255.786     330.000       7.369   33 
-     40000        8000.00      38.309      -7.904      30.405   3.03 0.429 0.538 0.294 0.244     347.563     330.000       6.928   33 
-     50000       10000.00      34.484     -12.704      21.780   4.35 0.071 0.857 0.318 1.056     312.857     330.000       7.408   33 
-     60000       12000.00      41.611     -11.394      30.217   4.08 0.286 0.556 0.283 0.646     377.521     330.000       6.816   33 
-     70000       14000.00      36.389     -13.398      22.991   4.62 0.286 0.667 0.295 0.532     330.142     330.000       7.615   33 
-     80000       16000.00      36.902      -9.784      27.118   6.34 0.071 0.800 0.164 0.431     334.794     330.000       8.909   33 
-     90000       18000.00      37.146      -7.240      29.907   6.76 0.143 0.667 0.159 0.797     337.010     330.000       9.748   33 
-    100000       20000.00      30.821     -11.899      18.923   4.24 0.214 0.625 0.227 0.539     279.628     330.000       6.890   33 
-    110000       22000.00      30.774     -24.620       6.154   2.81 0.429 0.538 0.364 0.549     279.197     310.000       6.554   33 
-    120000       24000.00      30.161     -19.313      10.847   3.51 0.214 0.727 0.322 0.344     273.635     310.000       6.805   33 
-    130000       26000.00      32.280      -9.481      22.799   4.16 0.143 0.778 0.212 0.703     292.859     310.000       7.700   33 
-    140000       28000.00      36.437     -25.224      11.213   3.28 0.214 0.727 0.467 0.440     330.580     310.000       6.696   33 
-    150000       30000.00      34.817     -18.842      15.975   4.17 0.071 0.917 0.458 0.462     315.876     310.000       6.682   33 
-    160000       32000.00      31.339     -19.351      11.989   7.07 0.214 0.750 0.250 0.602     284.328     310.000       7.212   33 
-    170000       34000.00      33.126      -5.819      27.307   4.48 0.214 0.667 0.217 0.410     300.537     310.000       7.386   33 
-    180000       36000.00      39.634     -34.083       5.552   3.88 0.071 0.917 0.322 0.301     359.584     310.000       6.391   33 
-    190000       38000.00      35.368     -21.222      14.146   7.04 0.071 0.889 0.177 0.794     320.879     310.000       8.636   33 
-    200000       40000.00      32.185      -7.773      24.412   4.80 0.071 0.917 0.341 0.370     291.998     310.000       7.345   33 
-    210000       42000.00      32.149      -9.844      22.305   6.83 0.000 1.000 0.182 0.720     291.673     330.000       9.806   33 
-    220000       44000.00      27.979     -11.125      16.854   4.10 0.286 0.500 0.290 0.421     253.837     330.000       7.280   33 
-    230000       46000.00      31.832      10.135      41.967   7.33 0.071 0.500 0.273 0.687     288.800     330.000       9.586   33 
-    240000       48000.00      37.208      -7.596      29.612   5.59 0.286 0.636 0.223 0.429     337.570     330.000       7.412   33 
-    250000       50000.00      36.732     -10.280      26.452   6.69 0.214 0.500 0.364 0.465     333.256     330.000       7.130   33 
-    260000       52000.00      33.773     -17.421      16.351   4.06 0.000 1.000 0.240 0.746     306.402     330.000       7.394   33 
-    270000       54000.00      43.276     -15.173      28.102   3.85 0.286 0.600 0.245 0.454     392.619     330.000       7.011   33 
-    280000       56000.00      33.689     -11.509      22.179   3.89 0.143 0.800 0.186 0.734     305.642     330.000       8.375   33 
-    290000       58000.00      26.951      -9.642      17.309   3.64 0.143 0.800 0.364 0.273     244.516     330.000       7.572   33 
-    300000       60000.00      35.909     -14.716      21.193   4.12 0.143 0.800 0.241 0.605     325.788     330.000       7.495   33 
-    310000       62000.00      34.564     -16.629      17.936   6.25 0.071 0.857 0.195 0.423     313.585     310.000       7.941   33 
-    320000       64000.00      33.242     -16.665      16.577   4.19 0.286 0.636 0.318 0.251     301.588     310.000       7.020   33 
-    330000       66000.00      33.843     -26.347       7.496   3.07 0.357 0.737 0.335 0.629     307.039     310.000       6.548   33 
-    340000       68000.00      34.969     -16.843      18.126   2.62 0.214 0.800 0.242 0.371     317.255     310.000       6.985   33 
-    350000       70000.00      32.495     -12.620      19.875   5.52 0.071 0.909 0.236 0.509     294.816     310.000       7.748   33 
-    360000       72000.00      32.778     -20.867      11.910   3.26 0.214 0.769 0.350 0.830     297.375     310.000       6.728   33 
-    370000       74000.00      40.679     -23.471      17.208   3.77 0.357 0.615 0.189 0.886     369.062     310.000       7.337   33 
-    380000       76000.00      24.324     -14.179      10.145   3.80 0.143 0.667 0.159 1.453     220.677     310.000       8.692   33 
-    390000       78000.00      29.088      -7.793      21.295   6.67 0.143 0.750 0.182 1.257     263.901     310.000       8.348   33 
-    400000       80000.00      35.746     -16.517      19.229   6.53 0.214 0.571 0.273 1.179     324.306     310.000       7.081   33 
-    410000       82000.00      26.344     -21.333       5.011   6.03 0.214 0.667 0.202 0.461     239.009     300.000       8.081   33 
-    420000       84000.00      26.039     -14.444      11.594   5.58 0.214 0.625 0.352 0.415     236.237     300.000       7.472   33 
-    430000       86000.00      29.683     -23.264       6.419   5.34 0.214 0.727 0.227 0.427     269.297     300.000       7.537   33 
-    440000       88000.00      30.152     -17.557      12.596   7.67 0.214 0.571 0.188 0.275     273.558     300.000       9.777   33 
-    450000       90000.00      31.840     -32.049      -0.209   4.10 0.214 0.700 0.268 0.421     288.871     300.000       6.714   33 
-    460000       92000.00      28.708     -20.556       8.151   4.41 0.143 0.833 0.360 0.300     260.451     300.000       6.970   33 
-    470000       94000.00      28.412     -24.729       3.684   5.55 0.286 0.636 0.161 1.126     257.771     300.000       8.864   33 
-    480000       96000.00      40.522     -20.013      20.510   5.90 0.286 0.556 0.187 0.536     367.639     300.000       8.055   33 
-    490000       98000.00      27.701     -17.207      10.494   4.42 0.143 0.800 0.232 0.552     251.318     300.000       7.406   33 
-    500000      100000.00      40.276     -31.168       9.108   3.75 0.214 0.800 0.321 0.398     365.403     300.000       7.015   33 
-    510000      102000.00      31.281     -20.996      10.285   4.57 0.143 0.833 0.337 0.305     283.800     310.000       6.885   33 
-    520000      104000.00      31.739      -7.016      24.723   4.40 0.143 0.818 0.277 0.897     287.949     310.000       7.476   33 
-    530000      106000.00      23.896     -21.799       2.097   4.58 0.143 0.778 0.333 0.550     216.796     310.000       6.999   33 
-    540000      108000.00      30.734     -13.541      17.193   4.78 0.286 0.667 0.242 0.491     278.838     310.000       7.300   33 
-    550000      110000.00      24.978     -20.184       4.794   6.95 0.286 0.667 0.273 0.396     226.614     310.000       7.394   33 
-    560000      112000.00      36.086     -26.391       9.695   3.34 0.286 0.600 0.227 0.408     327.387     310.000       7.130   33 
-    570000      114000.00      29.430     -24.233       5.196   3.38 0.214 0.786 0.231 0.720     267.001     310.000       7.360   33 
-    580000      116000.00      27.404     -18.919       8.485   3.60 0.143 0.800 0.314 0.360     248.622     310.000       6.621   33 
-    590000      118000.00      29.898     -19.590      10.309   4.71 0.071 0.900 0.241 0.349     271.252     310.000       7.624   33 
-    600000      120000.00      28.780     -14.871      13.909   5.47 0.214 0.667 0.348 0.547     261.104     310.000       7.187   33 
-    610000      122000.00      34.025      -6.954      27.071   5.95 0.357 0.500 0.209 0.837     308.694     340.000       7.122   33 
-    620000      124000.00      38.337       1.416      39.753   4.99 0.143 0.750 0.233 1.370     347.809     340.000       8.052   33 
-    630000      126000.00      30.756       1.183      31.940   4.87 0.286 0.429 0.377 0.527     279.038     340.000       7.545   33 
-    640000      128000.00      28.882       1.077      29.959   3.94 0.071 0.900 0.391 0.607     262.028     340.000       6.625   33 
-    650000      130000.00      29.577     -13.338      16.239   3.98 0.214 0.700 0.214 0.270     268.339     340.000       6.936   33 
-    660000      132000.00      26.352      -9.832      16.520   3.32 0.286 0.556 0.293 0.657     239.082     340.000       7.407   33 
-    670000      134000.00      36.938      -7.373      29.565   3.75 0.214 0.667 0.232 1.190     335.122     340.000       7.904   33 
-    680000      136000.00      40.387      -3.598      36.789   6.43 0.143 0.714 0.214 0.384     366.414     340.000       9.300   33 
-    690000      138000.00      37.532       2.170      39.702   4.89 0.143 0.833 0.288 0.484     340.513     340.000       7.501   33 
-    700000      140000.00      33.682       3.218      36.900   8.06 0.071 0.750 0.159 0.649     305.583     340.000      10.689   33 
-    710000      142000.00      32.558       7.852      40.409   5.70 0.071 0.889 0.409 0.717     295.382     350.000       8.077   33 
-    720000      144000.00      28.623       2.452      31.075   7.08 0.143 0.600 0.191 0.417     259.680     350.000      10.809   33 
-    730000      146000.00      35.062       3.326      38.389   3.74 0.286 0.600 0.295 0.541     318.105     350.000       7.451   33 
-    740000      148000.00      34.638       7.007      41.645   4.55 0.000 1.000 0.420 0.327     314.252     350.000       8.180   33 
-    750000      150000.00      30.965       2.450      33.415   4.83 0.143 0.778 0.318 0.372     280.934     350.000       6.986   33 
-    760000      152000.00      31.983       1.661      33.644   4.65 0.071 0.800 0.382 0.845     290.163     350.000       9.258   33 
-    770000      154000.00      45.831       0.585      46.415   5.91 0.143 0.833 0.235 0.367     415.798     350.000       8.709   33 
-    780000      156000.00      41.213       9.426      50.639   6.97 0.000 1.000 0.182 0.464     373.905     350.000      10.897   33 
-    790000      158000.00      51.439     -12.237      39.202   4.16 0.143 0.778 0.500 0.648     466.686     350.000       6.915   33 
-    800000      160000.00      32.938      14.550      47.488   5.99 0.000 1.000 0.182 0.640     298.833     350.000       7.938   33 
-    810000      162000.00      42.555       0.697      43.253   7.12 0.214 0.700 0.241 1.137     386.084     400.000       7.659   33 
-    820000      164000.00      42.221      20.036      62.257   8.03 0.000   NaN   NaN 0.248     383.052     400.000      11.035   33 
-    830000      166000.00      45.815      14.969      60.783   6.10 0.143 0.333 0.333 0.281     415.653     400.000       8.889   33 
-    840000      168000.00      33.329      22.396      55.726   8.04 0.143 0.333 0.152 0.230     302.379     400.000      11.375   33 
-    850000      170000.00      41.188       8.867      50.054   8.60 0.000 1.000 0.182 0.348     373.675     400.000      11.256   33 
-    860000      172000.00      34.056      21.823      55.880   5.46 0.000   NaN   NaN 0.358     308.977     400.000       9.242   33 
-    870000      174000.00      47.315      15.015      62.330   4.24 0.071 0.750 0.614 0.755     429.265     400.000       8.086   33 
-    880000      176000.00      52.706      15.264      67.970   5.56 0.000 1.000 0.398 0.352     478.177     400.000       8.051   33 
-    890000      178000.00      35.410      14.916      50.326   5.60 0.143 0.667 0.288 0.651     321.258     400.000       7.813   33 
-    900000      180000.00      39.863      -2.605      37.258   6.79 0.000 1.000 0.318 0.730     361.657     400.000       9.626   33 
-    910000      182000.00      37.862       7.282      45.145   7.50 0.000 1.000 0.170 0.342     343.506     400.000       9.588   33 
-    920000      184000.00      34.077      17.858      51.935   6.14 0.071 0.833 0.409 1.148     309.165     400.000       7.590   33 
-    930000      186000.00      40.716      15.994      56.711   6.13 0.071 0.667 0.212 0.588     369.399     400.000       9.541   33 
-    940000      188000.00      34.709       8.938      43.647   4.86 0.000 1.000 0.682 0.735     314.897     400.000       9.284   33 
-    950000      190000.00      35.670      21.477      57.147   8.06 0.143 0.000 0.159 0.601     323.620     400.000      11.329   33 
-    960000      192000.00      36.430      14.817      51.247   8.22 0.071 0.500 0.182 0.292     330.509     400.000      11.961   33 
-    970000      194000.00      31.026      22.909      53.935   4.48 0.143 0.667 0.462 0.708     281.482     400.000       8.265   33 
-    980000      196000.00      36.287       9.404      45.692   5.09 0.000 1.000 0.258 0.286     329.218     400.000       7.427   33 
-    990000      198000.00      39.765      10.910      50.675   4.35 0.214 0.571 0.448 0.544     360.771     400.000       7.076   33 
-   1000000      200000.00      42.671      13.525      56.195   7.65 0.000 1.000 0.318 0.925     387.129     400.000       9.884   33 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB034.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB034.stat
deleted file mode 100644
index 58e5a92..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB034.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      28.129     114.043     142.171  12.87 0.000   NaN   NaN 4.850     255.198     330.000      15.552   34 
-     10000        2000.00      35.415      -6.503      28.912   5.70 0.214 0.571 0.169 1.509     321.301     330.000       8.689   34 
-     20000        4000.00      35.046      -4.512      30.534   4.51 0.143 0.667 0.189 0.113     317.956     330.000       8.426   34 
-     30000        6000.00      30.986      -1.418      29.569   4.91 0.214 0.727 0.306 0.672     281.123     330.000       7.086   34 
-     40000        8000.00      36.437     -20.912      15.525   3.17 0.214 0.727 0.264 0.436     330.575     330.000       7.192   34 
-     50000       10000.00      29.094      -5.142      23.952   6.19 0.000 1.000 0.364 0.276     263.957     330.000       6.852   34 
-     60000       12000.00      35.869       6.743      42.612   4.80 0.143 0.667 0.242 0.977     325.422     330.000       8.603   34 
-     70000       14000.00      32.501      -3.090      29.412   6.64 0.071 0.800 0.291 0.479     294.868     330.000       8.652   34 
-     80000       16000.00      36.747      -6.870      29.878   6.73 0.143 0.667 0.174 0.539     333.388     330.000       8.930   34 
-     90000       18000.00      31.691       4.677      36.368   6.03 0.143 0.846 0.304 0.523     287.521     330.000       8.068   34 
-    100000       20000.00      37.305       0.834      38.139   4.98 0.071 0.875 0.256 0.967     338.454     330.000       8.012   34 
-    110000       22000.00      35.298       4.642      39.940   5.94 0.000 1.000 0.250 0.428     320.239     350.000       7.325   34 
-    120000       24000.00      35.499       7.754      43.253   8.48 0.071 0.750 0.193 0.402     322.068     350.000      10.711   34 
-    130000       26000.00      37.739       2.391      40.130   5.48 0.143 0.600 0.155 0.377     342.385     350.000       9.083   34 
-    140000       28000.00      39.966       6.553      46.518   8.39 0.143 0.600 0.218 0.373     362.589     350.000      11.999   34 
-    150000       30000.00      34.883      11.251      46.134   5.80 0.000 1.000 0.159 0.576     316.477     350.000       7.569   34 
-    160000       32000.00      32.755      10.105      42.860   5.59 0.000 1.000 0.205 0.532     297.170     350.000       8.615   34 
-    170000       34000.00      37.187      11.323      48.510   3.94 0.071 0.833 0.265 0.563     337.376     350.000       8.445   34 
-    180000       36000.00      38.746       3.540      42.286   5.23 0.000 1.000 0.576 0.473     351.522     350.000       8.629   34 
-    190000       38000.00      32.816       4.235      37.050   6.49 0.143 0.750 0.398 0.364     297.721     350.000       8.034   34 
-    200000       40000.00      35.699       2.646      38.345   6.94 0.000 1.000 0.136 0.299     323.879     350.000      11.543   34 
-    210000       42000.00      34.294       5.204      39.498   7.04 0.071 0.750 0.227 0.304     311.130     350.000       9.986   34 
-    220000       44000.00      38.921       0.950      39.871   9.09 0.143 0.667 0.152 0.365     353.115     350.000      11.949   34 
-    230000       46000.00      29.869      14.394      44.263   5.34 0.071 0.750 0.205 0.641     270.983     350.000       8.840   34 
-    240000       48000.00      37.232       4.770      42.002   3.49 0.143 0.750 0.290 0.680     337.784     350.000       7.686   34 
-    250000       50000.00      35.004      11.700      46.703   6.31 0.071 0.857 0.227 0.409     317.570     350.000       7.689   34 
-    260000       52000.00      31.549      -3.375      28.175   6.05 0.143 0.667 0.182 0.493     286.233     350.000      10.010   34 
-    270000       54000.00      30.513     -11.242      19.271   4.86 0.071 0.889 0.328 0.793     276.831     350.000       7.010   34 
-    280000       56000.00      35.521      10.479      46.000   6.26 0.000 1.000 0.258 0.425     322.264     350.000       8.413   34 
-    290000       58000.00      39.544       4.590      44.134   5.56 0.071 0.800 0.282 0.788     358.765     350.000       7.768   34 
-    300000       60000.00      39.414      -4.474      34.941   5.80 0.143 0.750 0.432 0.287     357.589     350.000       7.050   34 
-    310000       62000.00      26.153      -2.205      23.948   5.73 0.000 1.000 0.432 0.331     237.274     330.000       8.894   34 
-    320000       64000.00      41.778      -3.920      37.858   4.45 0.214 0.667 0.237 0.332     379.030     330.000       7.165   34 
-    330000       66000.00      37.147     -16.289      20.858   3.76 0.214 0.700 0.377 0.649     337.020     330.000       6.859   34 
-    340000       68000.00      38.171       1.221      39.392   5.21 0.143 0.750 0.386 0.568     346.305     330.000       7.667   34 
-    350000       70000.00      26.127     -11.460      14.667   3.84 0.071 0.909 0.252 0.167     237.038     330.000       7.348   34 
-    360000       72000.00      32.893      -2.219      30.674   5.16 0.214 0.571 0.149 0.516     298.419     330.000       8.865   34 
-    370000       74000.00      43.462     -13.769      29.692   7.21 0.214 0.727 0.298 0.626     394.305     330.000       6.734   34 
-    380000       76000.00      41.726     -14.652      27.074   4.45 0.143 0.857 0.289 0.877     378.562     330.000       6.741   34 
-    390000       78000.00      40.262      -7.698      32.564   4.29 0.286 0.500 0.216 0.592     365.273     330.000       7.178   34 
-    400000       80000.00      34.360      -1.390      32.970   4.64 0.143 0.833 0.330 0.669     311.730     330.000       7.009   34 
-    410000       82000.00      29.318       1.032      30.350   3.85 0.143 0.714 0.299 0.653     265.989     340.000       8.603   34 
-    420000       84000.00      29.296       1.473      30.769   4.78 0.071 0.750 0.227 0.537     265.788     340.000       8.330   34 
-    430000       86000.00      34.262      -0.391      33.872   5.53 0.071 0.857 0.370 0.398     310.845     340.000       7.184   34 
-    440000       88000.00      34.844      -2.925      31.919   5.79 0.000 1.000 0.364 0.730     316.125     340.000       7.755   34 
-    450000       90000.00      25.945       2.233      28.178   6.69 0.357 0.286 0.156 0.874     235.386     340.000      10.193   34 
-    460000       92000.00      38.848      -6.604      32.243   6.10 0.286 0.750 0.295 0.439     352.446     340.000       6.885   34 
-    470000       94000.00      29.422      -1.658      27.764   4.63 0.214 0.750 0.398 0.581     266.929     340.000       6.634   34 
-    480000       96000.00      28.021      -8.787      19.234   6.71 0.214 0.400 0.191 0.270     254.225     340.000       8.400   34 
-    490000       98000.00      31.752     -14.087      17.666   6.24 0.143 0.714 0.247 0.530     288.072     340.000       8.277   34 
-    500000      100000.00      32.425      10.834      43.259   7.44 0.214 0.250 0.159 0.596     294.175     340.000      11.149   34 
-    510000      102000.00      33.821       5.243      39.063   4.87 0.000 1.000 0.398 0.688     306.839     340.000       8.540   34 
-    520000      104000.00      28.215      -3.293      24.922   6.91 0.143 0.600 0.191 0.777     255.980     340.000       9.579   34 
-    530000      106000.00      38.813      11.457      50.270   4.76 0.143 0.500 0.375 0.761     352.132     340.000       8.082   34 
-    540000      108000.00      25.136      -2.872      22.264   4.43 0.143 0.818 0.364 0.177     228.044     340.000       6.824   34 
-    550000      110000.00      29.554       2.395      31.949   6.65 0.143 0.714 0.214 0.475     268.130     340.000       9.024   34 
-    560000      112000.00      31.621      -0.155      31.466   5.40 0.071 0.857 0.331 0.847     286.880     340.000       8.157   34 
-    570000      114000.00      43.091      -4.499      38.592   4.50 0.000 1.000 0.371 0.518     390.940     340.000       7.119   34 
-    580000      116000.00      27.893       2.416      30.310   7.59 0.143 0.333 0.136 0.135     253.064     340.000       9.874   34 
-    590000      118000.00      30.491       1.034      31.525   7.21 0.071 0.800 0.191 0.391     276.634     340.000      10.311   34 
-    600000      120000.00      33.967       0.241      34.207   7.21 0.071 0.750 0.216 0.185     308.163     340.000       8.253   34 
-    610000      122000.00      35.552     -14.565      20.987   6.68 0.214 0.500 0.144 0.512     322.543     320.000       9.892   34 
-    620000      124000.00      33.536     -11.594      21.942   5.36 0.214 0.667 0.207 0.690     304.258     320.000       7.994   34 
-    630000      126000.00      29.042     -10.247      18.796   2.89 0.357 0.500 0.277 0.354     263.488     320.000       6.865   34 
-    640000      128000.00      32.185     -14.144      18.042   3.31 0.357 0.500 0.232 0.522     292.001     320.000       7.780   34 
-    650000      130000.00      31.380     -16.721      14.659   3.77 0.214 0.571 0.292 0.746     284.696     320.000       7.179   34 
-    660000      132000.00      41.830     -10.720      31.110   3.93 0.214 0.700 0.205 0.915     379.505     320.000       7.252   34 
-    670000      134000.00      31.786     -14.059      17.727   4.70 0.000 1.000 0.212 0.589     288.382     320.000       7.985   34 
-    680000      136000.00      32.097     -13.655      18.442   5.83 0.143 0.833 0.178 0.566     291.198     320.000       8.247   34 
-    690000      138000.00      26.546       1.739      28.285   5.32 0.143 0.600 0.164 0.323     240.839     320.000       8.985   34 
-    700000      140000.00      32.492     -16.943      15.549   5.41 0.143 0.800 0.209 0.428     294.785     320.000       7.411   34 
-    710000      142000.00      30.932     -27.672       3.260   3.29 0.357 0.667 0.285 0.635     280.630     300.000       6.326   34 
-    720000      144000.00      33.279     -16.987      16.293   6.42 0.214 0.769 0.262 1.020     301.926     300.000       7.068   34 
-    730000      146000.00      38.505     -26.956      11.550   3.84 0.214 0.769 0.294 0.684     349.339     300.000       7.282   34 
-    740000      148000.00      26.596     -22.092       4.504   3.27 0.143 0.833 0.314 0.426     241.290     300.000       6.579   34 
-    750000      150000.00      35.713     -29.930       5.784   2.89 0.429 0.500 0.239 1.032     324.009     300.000       6.947   34 
-    760000      152000.00      32.347     -26.091       6.255   3.99 0.143 0.750 0.165 0.360     293.466     300.000       7.916   34 
-    770000      154000.00      31.163     -25.847       5.316   2.93 0.357 0.500 0.218 0.548     282.729     300.000       6.895   34 
-    780000      156000.00      32.925     -34.019      -1.094   3.75 0.357 0.615 0.269 0.870     298.714     300.000       6.728   34 
-    790000      158000.00      30.285     -23.915       6.369   3.67 0.357 0.545 0.202 0.334     274.757     300.000       7.167   34 
-    800000      160000.00      30.901     -19.433      11.468   5.25 0.143 0.818 0.264 0.266     280.351     300.000       7.750   34 
-    810000      162000.00      32.927     -19.014      13.913   4.87 0.214 0.750 0.352 0.892     298.730     310.000       6.712   34 
-    820000      164000.00      28.219     -22.835       5.383   5.35 0.214 0.750 0.303 0.303     256.015     310.000       7.227   34 
-    830000      166000.00      38.785     -14.263      24.521   5.17 0.214 0.625 0.176 0.676     351.873     310.000       8.700   34 
-    840000      168000.00      36.554     -13.381      23.173   4.16 0.357 0.375 0.295 0.226     331.634     310.000       6.707   34 
-    850000      170000.00      26.783     -16.987       9.797   3.13 0.214 0.625 0.267 0.142     242.993     310.000       6.791   34 
-    860000      172000.00      36.180     -21.031      15.149   6.06 0.214 0.800 0.327 0.376     328.241     310.000       6.713   34 
-    870000      174000.00      27.407     -12.283      15.125   3.96 0.286 0.600 0.250 0.298     248.654     310.000       7.568   34 
-    880000      176000.00      29.564     -15.796      13.768   4.49 0.143 0.800 0.195 0.733     268.221     310.000       7.866   34 
-    890000      178000.00      37.438     -27.678       9.760   3.31 0.357 0.583 0.258 0.273     339.656     310.000       6.566   34 
-    900000      180000.00      31.304     -26.045       5.259   2.78 0.357 0.583 0.186 0.646     284.004     310.000       7.243   34 
-    910000      182000.00      31.385     -22.496       8.888   7.32 0.143 0.750 0.193 0.377     284.737     300.000       8.542   34 
-    920000      184000.00      31.335     -34.232      -2.897   2.57 0.357 0.500 0.214 0.484     284.288     300.000       7.294   34 
-    930000      186000.00      30.038     -17.970      12.068   4.83 0.143 0.818 0.236 0.339     272.521     300.000       7.962   34 
-    940000      188000.00      30.013      -8.291      21.722   6.81 0.214 0.250 0.159 0.311     272.292     300.000      10.562   34 
-    950000      190000.00      23.351     -19.385       3.965   2.86 0.286 0.636 0.252 0.563     211.849     300.000       7.361   34 
-    960000      192000.00      30.164     -30.641      -0.478   2.83 0.357 0.667 0.327 0.857     273.661     300.000       6.851   34 
-    970000      194000.00      30.097     -28.943       1.154   3.70 0.071 0.909 0.326 0.517     273.055     300.000       6.654   34 
-    980000      196000.00      33.305     -20.329      12.976   3.09 0.357 0.667 0.255 0.519     302.159     300.000       7.276   34 
-    990000      198000.00      28.074     -17.527      10.547   3.71 0.143 0.778 0.202 0.618     254.701     300.000       6.879   34 
-   1000000      200000.00      23.516      -9.417      14.100   6.19 0.143 0.778 0.187 0.797     213.353     300.000       8.844   34 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB035.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB035.stat
deleted file mode 100644
index d761879..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB035.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      32.324     114.043     146.367  12.87 0.000   NaN   NaN 4.850     293.264     330.000      15.552   35 
-     10000        2000.00      31.122     -12.608      18.514   4.76 0.071 0.889 0.338 0.185     282.355     330.000       6.660   35 
-     20000        4000.00      31.491      -6.490      25.001   3.54 0.357 0.545 0.178 0.419     285.704     330.000       8.196   35 
-     30000        6000.00      24.064      -9.746      14.318   7.83 0.000 1.000 0.167 0.546     218.323     330.000      10.154   35 
-     40000        8000.00      34.569      -8.304      26.265   5.03 0.143 0.800 0.186 0.415     313.629     330.000       8.486   35 
-     50000       10000.00      33.838      -0.583      33.255   6.94 0.286 0.333 0.167 1.314     306.998     330.000       9.338   35 
-     60000       12000.00      32.582      -4.473      28.109   3.40 0.357 0.545 0.306 0.534     295.602     330.000       7.149   35 
-     70000       14000.00      34.315     -16.920      17.395   4.76 0.071 0.900 0.382 0.678     311.324     330.000       7.022   35 
-     80000       16000.00      24.729      -6.101      18.627   3.26 0.357 0.583 0.314 1.068     224.350     330.000       6.642   35 
-     90000       18000.00      33.212     -10.616      22.596   4.41 0.143 0.714 0.182 1.107     301.318     330.000       8.276   35 
-    100000       20000.00      30.397     -23.901       6.496   3.78 0.214 0.667 0.404 0.537     275.777     330.000       7.074   35 
-    110000       22000.00      36.940     -14.747      22.193   3.81 0.214 0.750 0.269 0.246     335.138     320.000       6.904   35 
-    120000       24000.00      28.864     -14.862      14.002   2.93 0.357 0.583 0.174 0.516     261.867     320.000       7.655   35 
-    130000       26000.00      37.885     -15.261      22.624   4.82 0.000 1.000 0.273 0.384     343.715     320.000       8.506   35 
-    140000       28000.00      35.294     -15.676      19.618   2.62 0.143 0.714 0.273 0.392     320.208     320.000       7.296   35 
-    150000       30000.00      35.181      -3.073      32.108   3.86 0.071 0.909 0.430 0.309     319.181     320.000       7.855   35 
-    160000       32000.00      41.023       2.067      43.090   7.97 0.071 0.750 0.159 0.324     372.182     320.000      10.406   35 
-    170000       34000.00      45.485     -11.230      34.254   2.67 0.214 0.750 0.295 0.503     412.660     320.000       6.924   35 
-    180000       36000.00      29.482      -5.654      23.828   8.36 0.143 0.667 0.167 0.982     267.476     320.000      11.082   35 
-    190000       38000.00      33.747       0.683      34.430   7.66 0.071 0.667 0.152 0.379     306.171     320.000       9.939   35 
-    200000       40000.00      37.698     -14.251      23.446   6.00 0.000 1.000 0.234 0.451     342.014     320.000       7.890   35 
-    210000       42000.00      40.082     -15.723      24.359   4.09 0.071 0.875 0.312 0.527     363.647     320.000       7.264   35 
-    220000       44000.00      29.752      -8.134      21.618   6.32 0.071 0.800 0.245 0.548     269.929     320.000       8.562   35 
-    230000       46000.00      37.825      -9.812      28.013   4.14 0.071 0.889 0.242 0.415     343.172     320.000       7.025   35 
-    240000       48000.00      29.860      -6.692      23.168   3.73 0.143 0.750 0.165 0.168     270.907     320.000       7.497   35 
-    250000       50000.00      29.411      -4.031      25.380   4.25 0.143 0.867 0.352 0.447     266.831     320.000       6.899   35 
-    260000       52000.00      32.193      -4.302      27.891   6.01 0.143 0.714 0.175 0.604     292.071     320.000       8.960   35 
-    270000       54000.00      31.891     -16.758      15.133   5.65 0.143 0.778 0.222 0.499     289.328     320.000       7.356   35 
-    280000       56000.00      34.592     -10.338      24.254   6.31 0.143 0.778 0.187 0.484     313.838     320.000       8.939   35 
-    290000       58000.00      36.388     -16.719      19.669   6.23 0.071 0.857 0.253 0.410     330.128     320.000       7.732   35 
-    300000       60000.00      31.565     -18.768      12.797   3.56 0.214 0.727 0.368 0.360     286.375     320.000       7.242   35 
-    310000       62000.00      28.307     -17.102      11.205   5.93 0.143 0.846 0.231 0.407     256.816     320.000       6.910   35 
-    320000       64000.00      45.286     -19.148      26.138   3.15 0.357 0.722 0.323 1.067     410.859     320.000       6.243   35 
-    330000       66000.00      33.760      -4.441      29.319   4.90 0.214 0.571 0.195 1.064     306.293     320.000       8.453   35 
-    340000       68000.00      34.068     -18.965      15.102   4.06 0.286 0.733 0.403 0.621     309.080     320.000       7.067   35 
-    350000       70000.00      33.516     -16.584      16.932   4.69 0.286 0.765 0.361 0.560     304.074     320.000       6.600   35 
-    360000       72000.00      33.150     -12.632      20.518   3.79 0.071 0.900 0.291 1.148     300.753     320.000       7.290   35 
-    370000       74000.00      34.829     -11.934      22.896   3.12 0.143 0.778 0.242 0.643     315.989     320.000       7.151   35 
-    380000       76000.00      30.038     -20.599       9.439   3.57 0.143 0.833 0.235 0.712     272.524     320.000       7.221   35 
-    390000       78000.00      36.360     -14.798      21.562   5.46 0.143 0.818 0.190 0.197     329.877     320.000       8.093   35 
-    400000       80000.00      31.971     -19.496      12.475   3.88 0.143 0.833 0.212 0.658     290.054     320.000       7.213   35 
-    410000       82000.00      37.767     -32.604       5.163   3.10 0.214 0.750 0.348 0.966     342.646     290.000       6.432   35 
-    420000       84000.00      32.398     -29.298       3.100   4.18 0.214 0.625 0.222 1.005     293.930     290.000       7.243   35 
-    430000       86000.00      26.695     -27.280      -0.585   2.74 0.214 0.769 0.238 0.681     242.187     290.000       7.246   35 
-    440000       88000.00      28.390     -28.458      -0.068   2.16 0.286 0.600 0.227 0.304     257.567     290.000       6.841   35 
-    450000       90000.00      30.830     -16.280      14.550   3.63 0.143 0.714 0.305 0.373     279.702     290.000       7.635   35 
-    460000       92000.00      41.034     -24.649      16.385   2.73 0.286 0.692 0.231 0.545     372.286     290.000       7.134   35 
-    470000       94000.00      30.152     -34.212      -4.060   3.40 0.143 0.800 0.309 0.269     273.558     290.000       7.172   35 
-    480000       96000.00      35.001     -35.692      -0.692   3.13 0.429 0.538 0.227 0.294     317.543     290.000       6.752   35 
-    490000       98000.00      27.816     -31.737      -3.922   3.18 0.357 0.545 0.169 0.551     252.357     290.000       7.301   35 
-    500000      100000.00      28.023     -29.014      -0.991   2.85 0.286 0.667 0.261 0.526     254.243     290.000       6.545   35 
-    510000      102000.00      29.547     -31.301      -1.754   2.95 0.357 0.667 0.261 0.448     268.062     300.000       6.586   35 
-    520000      104000.00      28.800     -26.514       2.286   4.47 0.214 0.500 0.182 0.291     261.290     300.000       7.957   35 
-    530000      106000.00      31.967     -26.015       5.953   4.08 0.214 0.700 0.173 0.361     290.026     300.000       8.079   35 
-    540000      108000.00      22.075     -28.985      -6.911   3.46 0.286 0.733 0.288 0.274     200.273     300.000       6.542   35 
-    550000      110000.00      35.416     -26.591       8.825   3.66 0.143 0.846 0.360 0.296     321.315     300.000       6.564   35 
-    560000      112000.00      29.089     -28.774       0.315   2.67 0.214 0.769 0.304 0.611     263.909     300.000       6.643   35 
-    570000      114000.00      38.754     -24.019      14.735   2.93 0.214 0.750 0.375 0.186     351.594     300.000       7.109   35 
-    580000      116000.00      33.424     -34.520      -1.096   2.62 0.214 0.769 0.329 0.831     303.239     300.000       7.107   35 
-    590000      118000.00      34.439     -23.884      10.555   3.04 0.357 0.615 0.210 0.181     312.449     300.000       6.713   35 
-    600000      120000.00      34.373     -24.245      10.128   3.59 0.143 0.778 0.258 0.280     311.849     300.000       7.505   35 
-    610000      122000.00      33.645     -23.256      10.389   2.77 0.357 0.545 0.269 0.226     305.245     300.000       7.217   35 
-    620000      124000.00      29.827     -17.545      12.283   3.49 0.286 0.429 0.188 0.635     270.608     300.000       8.235   35 
-    630000      126000.00      30.034     -25.811       4.224   4.52 0.214 0.571 0.188 0.658     272.486     300.000       7.008   35 
-    640000      128000.00      26.261     -24.162       2.099   3.00 0.357 0.545 0.285 0.429     238.250     300.000       6.824   35 
-    650000      130000.00      29.535     -26.209       3.327   3.46 0.286 0.692 0.336 0.594     267.960     300.000       6.431   35 
-    660000      132000.00      27.856     -21.050       6.806   3.03 0.143 0.778 0.242 0.437     252.723     300.000       7.136   35 
-    670000      134000.00      30.561     -42.236     -11.675   2.93 0.357 0.667 0.261 0.623     277.266     300.000       6.795   35 
-    680000      136000.00      41.472     -20.632      20.840   2.56 0.286 0.556 0.207 0.660     376.257     300.000       7.117   35 
-    690000      138000.00      29.861     -24.815       5.046   2.93 0.500 0.417 0.307 0.338     270.913     300.000       6.731   35 
-    700000      140000.00      26.371     -30.242      -3.871   3.36 0.357 0.615 0.332 0.662     239.249     300.000       6.541   35 
-    710000      142000.00      30.011     -35.417      -5.405   3.08 0.286 0.667 0.208 0.285     272.277     290.000       7.255   35 
-    720000      144000.00      28.083     -34.210      -6.127   2.98 0.286 0.750 0.290 1.189     254.784     290.000       6.456   35 
-    730000      146000.00      35.124     -32.511       2.614   3.24 0.357 0.545 0.372 0.419     318.665     290.000       6.512   35 
-    740000      148000.00      25.830     -35.715      -9.885   3.95 0.143 0.857 0.308 0.327     234.344     290.000       6.522   35 
-    750000      150000.00      33.629     -32.432       1.197   2.78 0.286 0.714 0.321 1.138     305.098     290.000       6.857   35 
-    760000      152000.00      38.697     -32.570       6.127   2.53 0.357 0.643 0.315 0.356     351.077     290.000       6.660   35 
-    770000      154000.00      29.686     -31.745      -2.059   5.46 0.357 0.583 0.174 1.145     269.324     290.000       8.343   35 
-    780000      156000.00      28.614     -29.893      -1.279   3.37 0.286 0.636 0.260 0.541     259.604     290.000       7.138   35 
-    790000      158000.00      27.887     -41.149     -13.262   3.61 0.286 0.733 0.294 0.258     253.001     290.000       6.351   35 
-    800000      160000.00      22.801     -40.049     -17.247   3.04 0.429 0.571 0.292 0.467     206.863     290.000       6.589   35 
-    810000      162000.00      25.664     -29.402      -3.738   3.11 0.286 0.692 0.245 0.666     232.838     290.000       6.777   35 
-    820000      164000.00      32.256     -30.914       1.342   3.07 0.357 0.688 0.327 0.651     292.640     290.000       6.548   35 
-    830000      166000.00      27.964     -31.512      -3.548   3.07 0.357 0.688 0.310 0.336     253.704     290.000       6.499   35 
-    840000      168000.00      25.361     -33.130      -7.769   2.95 0.286 0.600 0.291 0.267     230.087     290.000       6.953   35 
-    850000      170000.00      27.877     -32.445      -4.568   3.45 0.214 0.786 0.416 0.656     252.916     290.000       6.330   35 
-    860000      172000.00      34.881     -35.502      -0.621   3.93 0.286 0.692 0.234 0.964     316.463     290.000       6.675   35 
-    870000      174000.00      34.402     -32.563       1.839   3.07 0.357 0.667 0.270 0.098     312.113     290.000       6.621   35 
-    880000      176000.00      25.838     -41.627     -15.790   3.20 0.286 0.692 0.371 0.511     234.413     290.000       6.530   35 
-    890000      178000.00      32.305     -38.040      -5.735   2.51 0.286 0.636 0.252 0.476     293.088     290.000       7.027   35 
-    900000      180000.00      23.283     -22.638       0.644   5.89 0.214 0.500 0.152 0.338     211.231     290.000       9.228   35 
-    910000      182000.00      25.865     -27.763      -1.897   2.88 0.286 0.667 0.345 0.282     234.663     290.000       6.988   35 
-    920000      184000.00      28.181     -26.134       2.047   4.40 0.143 0.750 0.165 0.310     255.669     290.000       7.810   35 
-    930000      186000.00      30.525     -31.119      -0.594   2.73 0.429 0.333 0.172 0.396     276.943     290.000       7.118   35 
-    940000      188000.00      28.120     -21.467       6.653   3.72 0.286 0.667 0.390 0.557     255.121     290.000       6.308   35 
-    950000      190000.00      33.181     -30.863       2.318   3.25 0.286 0.667 0.371 0.472     301.036     290.000       6.855   35 
-    960000      192000.00      26.564     -25.084       1.480   2.82 0.143 0.833 0.360 0.380     241.006     290.000       6.649   35 
-    970000      194000.00      38.292     -25.259      13.033   3.11 0.357 0.500 0.173 0.638     347.405     290.000       7.477   35 
-    980000      196000.00      36.069     -24.515      11.554   2.73 0.214 0.750 0.212 0.437     327.236     290.000       7.350   35 
-    990000      198000.00      27.379     -31.057      -3.678   3.00 0.286 0.692 0.189 0.333     248.397     290.000       7.201   35 
-   1000000      200000.00      27.473     -22.050       5.423   3.06 0.214 0.667 0.182 0.583     249.251     290.000       7.520   35 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB036.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB036.stat
deleted file mode 100644
index 08723dc..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB036.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      34.378     113.732     148.109  12.87 0.000   NaN   NaN 4.850     311.892     340.000      15.552   36 
-     10000        2000.00      38.094       1.083      39.177   5.13 0.000 1.000 0.205 0.873     345.611     340.000       9.324   36 
-     20000        4000.00      36.365      -3.082      33.283   5.43 0.143 0.714 0.455 0.444     329.920     340.000       7.591   36 
-     30000        6000.00      33.170       0.591      33.761   6.56 0.000 1.000 0.197 0.861     300.938     340.000      10.069   36 
-     40000        8000.00      32.576      -9.697      22.879   4.16 0.071 0.875 0.284 0.418     295.548     340.000       7.982   36 
-     50000       10000.00      33.116      -8.801      24.316   4.72 0.286 0.556 0.333 0.697     300.448     340.000       6.640   36 
-     60000       12000.00      31.204       1.666      32.869   5.11 0.000 1.000 0.364 0.727     283.097     340.000       8.051   36 
-     70000       14000.00      32.783       0.780      33.563   6.30 0.071 0.889 0.449 0.158     297.425     340.000       7.050   36 
-     80000       16000.00      34.212     -10.819      23.393   3.70 0.214 0.500 0.197 0.504     310.389     340.000       7.723   36 
-     90000       18000.00      43.495       4.981      48.475   5.76 0.071 0.857 0.188 0.919     394.605     340.000       8.821   36 
-    100000       20000.00      49.105      -4.683      44.423   7.33 0.143 0.714 0.201 0.908     445.508     340.000       8.656   36 
-    110000       22000.00      34.531       0.566      35.097   4.43 0.071 0.889 0.389 0.767     313.284     340.000       7.729   36 
-    120000       24000.00      32.693      -4.389      28.304   4.14 0.143 0.846 0.357 0.581     296.608     340.000       7.146   36 
-    130000       26000.00      37.285      15.213      52.498   7.29 0.143 0.000 0.159 1.045     338.266     340.000       9.430   36 
-    140000       28000.00      39.678      -1.614      38.064   4.68 0.143 0.500 0.227 0.528     359.979     340.000       7.295   36 
-    150000       30000.00      33.718      -0.405      33.314   6.94 0.000 1.000 0.318 0.810     305.909     340.000       7.566   36 
-    160000       32000.00      43.382      -2.491      40.891   5.51 0.000 1.000 0.375 0.507     393.580     340.000       8.530   36 
-    170000       34000.00      41.780      -0.981      40.799   4.91 0.143 0.800 0.418 1.135     379.052     340.000       7.299   36 
-    180000       36000.00      33.961       5.158      39.119  10.08 0.000 1.000 0.182 0.294     308.111     340.000      12.973   36 
-    190000       38000.00      40.721      -3.597      37.124   5.20 0.071 0.800 0.182 1.060     369.442     340.000       9.077   36 
-    200000       40000.00      44.698       5.099      49.797   6.82 0.071 0.875 0.256 0.298     405.524     340.000       8.410   36 
-    210000       42000.00      53.783      17.755      71.538   4.21 0.143 0.000 0.455 1.317     487.944     380.000       7.827   36 
-    220000       44000.00      37.678       9.949      47.627   6.25 0.071 0.800 0.236 0.557     341.832     380.000       8.762   36 
-    230000       46000.00      42.833       8.824      51.658   4.80 0.143 0.333 0.530 0.500     388.607     380.000       8.517   36 
-    240000       48000.00      37.280      11.641      48.920   8.86 0.143 0.000 0.182 0.170     338.221     380.000      11.528   36 
-    250000       50000.00      38.408       8.340      46.748   5.90 0.143 0.714 0.305 0.230     348.461     380.000       7.933   36 
-    260000       52000.00      39.873       1.678      41.551   7.13 0.143 0.500 0.239 0.278     361.747     380.000       9.803   36 
-    270000       54000.00      43.781       3.075      46.856   5.60 0.000 1.000 0.443 0.796     397.205     380.000       9.119   36 
-    280000       56000.00      45.763      15.091      60.854   7.79 0.071 0.667 0.258 0.992     415.187     380.000       8.317   36 
-    290000       58000.00      42.714      14.387      57.102   5.23 0.000 1.000 0.216 1.585     387.526     380.000       8.313   36 
-    300000       60000.00      34.132      11.695      45.827   5.57 0.071 0.800 0.273 0.576     309.667     380.000       7.852   36 
-    310000       62000.00      33.284       0.582      33.866   5.94 0.143 0.667 0.174 0.581     301.968     380.000       8.527   36 
-    320000       64000.00      33.224      11.502      44.726   4.74 0.000   NaN   NaN 1.062     301.426     380.000       7.999   36 
-    330000       66000.00      35.423      10.235      45.659   7.23 0.071 0.750 0.273 0.236     321.380     380.000       8.213   36 
-    340000       68000.00      38.138       9.785      47.923   5.27 0.000 1.000 0.568 0.746     346.009     380.000       9.025   36 
-    350000       70000.00      34.812       9.634      44.446   7.82 0.143 0.600 0.173 0.608     315.829     380.000      10.878   36 
-    360000       72000.00      31.226       9.535      40.761   5.47 0.000 1.000 0.273 0.762     283.300     380.000       8.924   36 
-    370000       74000.00      37.175      20.350      57.525   4.41 0.071 0.500 0.636 1.422     337.275     380.000       8.003   36 
-    380000       76000.00      49.828      15.898      65.726   8.87 0.071 0.500 0.159 0.736     452.062     380.000      11.558   36 
-    390000       78000.00      30.505      11.483      41.988   5.19 0.000 1.000 0.482 0.362     276.754     380.000       7.436   36 
-    400000       80000.00      46.078      11.639      57.717   7.82 0.143 0.333 0.152 0.895     418.041     380.000      11.568   36 
-    410000       82000.00      41.861       2.574      44.435   7.12 0.143 0.714 0.370 0.303     379.784     360.000       9.470   36 
-    420000       84000.00      32.110      14.587      46.697   5.26 0.071 0.667 0.288 0.968     291.318     360.000       8.397   36 
-    430000       86000.00      46.782      12.315      59.097   6.42 0.000 1.000 0.200 0.236     424.431     360.000       9.287   36 
-    440000       88000.00      36.751      12.829      49.580   6.62 0.071 0.750 0.170 0.960     333.422     360.000       9.057   36 
-    450000       90000.00      35.188       2.721      37.909   7.38 0.000 1.000 0.197 0.660     319.243     360.000      10.857   36 
-    460000       92000.00      31.925      -5.095      26.830   4.48 0.214 0.727 0.302 0.320     289.638     360.000       7.064   36 
-    470000       94000.00      29.746       2.239      31.985   4.74 0.143 0.667 0.288 0.272     269.869     360.000       8.339   36 
-    480000       96000.00      40.597      18.260      58.856   8.88 0.000 1.000 0.182 0.505     368.313     360.000      11.773   36 
-    490000       98000.00      39.228       6.594      45.821   7.23 0.071 0.500 0.205 0.401     355.893     360.000      10.716   36 
-    500000      100000.00      45.948      13.626      59.573   8.64 0.071 0.800 0.182 0.969     416.863     360.000      11.669   36 
-    510000      102000.00      30.191      -2.217      27.974   5.33 0.214 0.625 0.358 0.481     273.906     360.000       8.026   36 
-    520000      104000.00      35.822       0.512      36.334   4.92 0.143 0.600 0.300 0.531     324.994     360.000       8.943   36 
-    530000      106000.00      42.355      14.129      56.484   7.10 0.071 0.667 0.152 0.542     384.268     360.000       9.620   36 
-    540000      108000.00      38.137       6.384      44.521   8.10 0.143 0.333 0.152 1.056     345.999     360.000      11.300   36 
-    550000      110000.00      34.218       2.738      36.956   5.59 0.143 0.714 0.175 0.741     310.441     360.000       8.067   36 
-    560000      112000.00      35.504      12.296      47.800   7.08 0.143 0.333 0.167 0.578     322.114     360.000       9.987   36 
-    570000      114000.00      38.991      -0.681      38.310   7.11 0.071 0.750 0.148 0.620     353.751     360.000       9.787   36 
-    580000      116000.00      41.503       7.403      48.907   4.72 0.143 0.500 0.148 1.056     376.540     360.000       9.068   36 
-    590000      118000.00      26.413      12.229      38.642   7.19 0.071 0.000 0.182 0.666     239.633     360.000      10.198   36 
-    600000      120000.00      32.004       4.037      36.040   6.42 0.071 0.857 0.195 0.575     290.352     360.000       8.230   36 
-    610000      122000.00      43.066       4.301      47.366   5.51 0.143 0.600 0.173 0.665     390.714     340.000       8.903   36 
-    620000      124000.00      25.825      -1.863      23.963   9.16 0.143 0.333 0.136 0.540     234.301     340.000      11.907   36 
-    630000      126000.00      30.485       9.076      39.561   4.01 0.143 0.600 0.227 0.396     276.578     340.000       8.403   36 
-    640000      128000.00      35.759       9.291      45.049   4.97 0.214 0.727 0.479 0.998     324.420     340.000       7.385   36 
-    650000      130000.00      32.506      13.902      46.408   7.87 0.071 0.857 0.214 0.904     294.913     340.000       8.883   36 
-    660000      132000.00      36.385       2.019      38.405   4.91 0.214 0.625 0.170 0.627     330.107     340.000       8.320   36 
-    670000      134000.00      44.660       4.791      49.451   4.89 0.000 1.000 0.591 0.442     405.181     340.000       8.330   36 
-    680000      136000.00      33.794       0.459      34.253   9.58 0.143 0.600 0.200 0.680     306.598     340.000      12.075   36 
-    690000      138000.00      31.796     -10.990      20.806   4.83 0.214 0.700 0.382 0.507     288.469     340.000       7.206   36 
-    700000      140000.00      30.495       8.224      38.719   6.86 0.071 0.667 0.152 0.532     276.665     340.000      10.299   36 
-    710000      142000.00      35.690      -2.941      32.749   7.07 0.143 0.714 0.227 0.412     323.798     340.000       8.044   36 
-    720000      144000.00      39.803      -4.388      35.415   4.17 0.143 0.667 0.227 0.676     361.115     340.000       8.074   36 
-    730000      146000.00      27.826      -5.168      22.659   6.07 0.000 1.000 0.318 0.872     252.456     340.000       7.917   36 
-    740000      148000.00      31.103       6.259      37.362   8.65 0.214 0.400 0.218 0.523     282.182     340.000      11.768   36 
-    750000      150000.00      28.895      -3.804      25.091   6.16 0.214 0.400 0.355 0.209     262.154     340.000       7.425   36 
-    760000      152000.00      42.989      -4.189      38.800   5.84 0.214 0.727 0.504 0.210     390.023     340.000       7.554   36 
-    770000      154000.00      28.805      -2.075      26.729   4.05 0.000 1.000 0.170 0.780     261.333     340.000       8.990   36 
-    780000      156000.00      39.766       0.282      40.048   7.04 0.143 0.818 0.269 0.535     360.776     340.000       7.741   36 
-    790000      158000.00      35.023       3.119      38.142   4.85 0.071 0.900 0.345 0.333     317.750     340.000       7.024   36 
-    800000      160000.00      38.740       6.606      45.346   9.04 0.071 0.000 0.136 0.324     351.472     340.000      13.065   36 
-    810000      162000.00      47.529      10.109      57.638   6.09 0.000 1.000 0.432 1.123     431.206     390.000       8.489   36 
-    820000      164000.00      39.822      16.034      55.856   9.57 0.000 1.000 0.182 0.357     361.283     390.000      12.563   36 
-    830000      166000.00      41.450       6.301      47.751   5.78 0.143 0.800 0.350 1.077     376.055     390.000       7.208   36 
-    840000      168000.00      49.391      18.221      67.612   4.82 0.000 1.000 0.242 0.588     448.101     390.000       9.207   36 
-    850000      170000.00      33.680       6.847      40.527   6.13 0.071 0.857 0.429 1.480     305.558     390.000       8.313   36 
-    860000      172000.00      39.416       2.596      42.012   4.13 0.143 0.333 0.258 1.186     357.607     390.000       8.275   36 
-    870000      174000.00      39.818      24.974      64.793   6.22 0.071 0.667 0.136 0.754     361.253     390.000       9.800   36 
-    880000      176000.00      35.486      20.160      55.646   6.73 0.071 0.667 0.152 0.435     321.943     390.000       9.185   36 
-    890000      178000.00      40.290      10.711      51.001   7.57 0.071 0.667 0.197 0.834     365.529     390.000      10.781   36 
-    900000      180000.00      52.087      11.335      63.421   5.82 0.000 1.000 0.375 0.536     472.556     390.000       9.498   36 
-    910000      182000.00      34.344      14.749      49.093   5.11 0.214 0.250 0.148 0.707     311.588     390.000       8.567   36 
-    920000      184000.00      40.407       4.734      45.141   4.89 0.000 1.000 0.364 0.566     366.595     390.000       8.624   36 
-    930000      186000.00      38.902       6.615      45.517   5.62 0.000 1.000 0.307 0.839     352.936     390.000       8.667   36 
-    940000      188000.00      32.634       8.574      41.209   8.28 0.143 0.600 0.227 0.663     296.077     390.000      10.829   36 
-    950000      190000.00      46.927      16.220      63.147   7.89 0.000   NaN   NaN 0.521     425.745     390.000      10.574   36 
-    960000      192000.00      33.705       8.610      42.315   9.39 0.000   NaN   NaN 0.893     305.788     390.000      13.615   36 
-    970000      194000.00      39.679      12.454      52.132   7.80 0.000 1.000 0.318 0.989     359.987     390.000       9.412   36 
-    980000      196000.00      36.080      14.445      50.525   6.62 0.071 0.667 0.212 0.492     327.335     390.000       9.641   36 
-    990000      198000.00      36.742      13.973      50.716   8.75 0.071 0.500 0.136 0.242     333.347     390.000      11.594   36 
-   1000000      200000.00      37.512      12.279      49.791   7.49 0.000 1.000 0.205 0.310     340.326     390.000      11.145   36 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB037.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB037.stat
deleted file mode 100644
index e5282b3..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB037.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      33.199     113.732     146.930  12.87 0.000   NaN   NaN 4.850     301.195     340.000      15.552   37 
-     10000        2000.00      42.661      -1.176      41.484   5.04 0.071 0.900 0.350 0.556     387.041     340.000       6.938   37 
-     20000        4000.00      38.216      -6.068      32.148   4.65 0.071 0.900 0.323 0.806     346.715     340.000       7.184   37 
-     30000        6000.00      37.691      -7.572      30.119   4.71 0.214 0.700 0.391 0.739     341.951     340.000       7.146   37 
-     40000        8000.00      30.157      -7.072      23.085   5.35 0.143 0.667 0.189 0.828     273.598     340.000       8.206   37 
-     50000       10000.00      33.791       2.612      36.403   6.64 0.071 0.800 0.355 0.345     306.569     340.000       7.389   37 
-     60000       12000.00      31.498      -3.130      28.368   4.93 0.071 0.800 0.355 0.342     285.767     340.000       7.451   37 
-     70000       14000.00      42.855      -1.950      40.904   5.84 0.071 0.800 0.509 0.588     388.799     340.000       7.776   37 
-     80000       16000.00      39.519      -5.901      33.619   3.77 0.071 0.875 0.295 0.494     358.538     340.000       7.890   37 
-     90000       18000.00      28.713       9.058      37.770   6.70 0.214 0.250 0.159 0.239     260.496     340.000      10.365   37 
-    100000       20000.00      40.115       5.290      45.405   4.58 0.214 0.500 0.348 0.248     363.941     340.000       7.827   37 
-    110000       22000.00      34.213       4.007      38.220   5.13 0.071 0.875 0.364 0.561     310.396     350.000       7.942   37 
-    120000       24000.00      37.395      -2.872      34.522   8.44 0.214 0.250 0.136 0.569     339.263     350.000      10.225   37 
-    130000       26000.00      30.688      -6.670      24.018   4.57 0.357 0.643 0.256 0.451     278.422     350.000       7.237   37 
-    140000       28000.00      49.240       1.274      50.514   4.70 0.143 0.750 0.312 0.409     446.728     350.000       7.674   37 
-    150000       30000.00      35.179       6.396      41.575   4.21 0.143 0.500 0.205 0.267     319.163     350.000       8.480   37 
-    160000       32000.00      45.340      12.566      57.906   4.62 0.143 0.750 0.301 0.893     411.346     350.000       7.576   37 
-    170000       34000.00      33.163       3.106      36.269   5.88 0.071 0.000 0.136 0.590     300.869     350.000       8.297   37 
-    180000       36000.00      36.046      16.133      52.179   9.24 0.143 0.000 0.159 0.705     327.028     350.000      11.113   37 
-    190000       38000.00      27.444       9.685      37.129   6.83 0.000 1.000 0.250 0.508     248.983     350.000       9.387   37 
-    200000       40000.00      44.452       5.294      49.746   7.32 0.214 0.400 0.191 0.367     403.289     350.000      10.095   37 
-    210000       42000.00      31.998       5.725      37.723   6.69 0.071 0.833 0.212 1.106     290.300     340.000       8.209   37 
-    220000       44000.00      29.002       8.790      37.792   6.01 0.071 0.800 0.345 0.763     263.118     340.000       8.787   37 
-    230000       46000.00      36.225     -13.172      23.053   6.07 0.071 0.909 0.298 0.369     328.652     340.000       7.026   37 
-    240000       48000.00      39.424      -3.493      35.931   4.65 0.143 0.818 0.260 0.308     357.676     340.000       7.399   37 
-    250000       50000.00      33.084      -0.933      32.151   5.30 0.143 0.500 0.205 0.802     300.151     340.000       9.168   37 
-    260000       52000.00      41.140      -2.088      39.052   7.07 0.214 0.571 0.195 0.747     373.244     340.000      10.095   37 
-    270000       54000.00      24.855       1.464      26.319   5.43 0.000 1.000 0.427 0.307     225.497     340.000       7.858   37 
-    280000       56000.00      25.066      -6.048      19.018   6.74 0.071 0.917 0.330 0.385     227.415     340.000       7.356   37 
-    290000       58000.00      25.662      -0.393      25.268   4.58 0.143 0.333 0.136 0.400     232.817     340.000       8.636   37 
-    300000       60000.00      38.007      -9.686      28.321   3.29 0.214 0.625 0.307 0.816     344.822     340.000       7.038   37 
-    310000       62000.00      37.965       4.571      42.536   7.26 0.071 0.500 0.159 1.280     344.435     350.000      10.274   37 
-    320000       64000.00      30.870       5.611      36.482   6.63 0.143 0.500 0.148 0.474     280.070     350.000       9.616   37 
-    330000       66000.00      39.004       7.300      46.304   6.57 0.071 0.750 0.205 1.437     353.867     350.000      10.407   37 
-    340000       68000.00      33.508       1.936      35.444   7.61 0.214 0.571 0.182 0.279     304.002     350.000       9.685   37 
-    350000       70000.00      28.317      -2.095      26.221   5.40 0.071 0.800 0.200 0.644     256.903     350.000       8.113   37 
-    360000       72000.00      31.780      -6.338      25.442   7.57 0.214 0.786 0.295 0.449     288.326     350.000       7.078   37 
-    370000       74000.00      34.533      19.790      54.323   9.24 0.000   NaN   NaN 0.755     313.299     350.000      11.012   37 
-    380000       76000.00      35.582      -7.163      28.419   3.78 0.286 0.556 0.172 0.221     322.815     350.000       7.556   37 
-    390000       78000.00      32.664       4.686      37.351   5.36 0.143 0.500 0.523 0.414     296.346     350.000       7.957   37 
-    400000       80000.00      34.159      -7.548      26.611   4.47 0.286 0.500 0.239 0.675     309.908     350.000       7.439   37 
-    410000       82000.00      32.588       3.335      35.923   4.46 0.071 0.800 0.300 1.147     295.651     350.000       7.555   37 
-    420000       84000.00      32.557      -1.048      31.509   3.91 0.214 0.571 0.156 0.579     295.376     350.000       7.724   37 
-    430000       86000.00      30.850      -2.327      28.523   3.17 0.214 0.700 0.223 0.624     279.891     350.000       7.765   37 
-    440000       88000.00      45.293      -9.433      35.860   4.69 0.214 0.700 0.291 0.905     410.921     350.000       7.765   37 
-    450000       90000.00      37.436      -6.331      31.105   5.01 0.286 0.600 0.345 0.409     339.638     350.000       7.223   37 
-    460000       92000.00      33.490      -2.937      30.553   3.83 0.143 0.818 0.388 0.363     303.837     350.000       6.872   37 
-    470000       94000.00      34.479       1.599      36.078   6.05 0.071 0.750 0.205 0.362     312.811     350.000       8.800   37 
-    480000       96000.00      31.088     -13.496      17.592   7.16 0.143 0.833 0.330 0.837     282.047     350.000       7.116   37 
-    490000       98000.00      35.555      -1.868      33.687   8.24 0.000 1.000 0.182 0.948     322.572     350.000      10.125   37 
-    500000      100000.00      40.246       4.708      44.953   8.34 0.071 0.500 0.205 0.996     365.129     350.000      10.786   37 
-    510000      102000.00      29.488       5.110      34.599   4.51 0.000 1.000 0.273 0.352     267.534     350.000       8.903   37 
-    520000      104000.00      34.061       3.919      37.979   3.93 0.214 0.571 0.377 0.946     309.016     350.000       6.928   37 
-    530000      106000.00      42.190      -7.665      34.525   5.01 0.143 0.750 0.239 0.553     382.771     350.000       7.877   37 
-    540000      108000.00      46.718       7.265      53.983   4.66 0.143 0.750 0.330 0.657     423.852     350.000       7.929   37 
-    550000      110000.00      59.157       4.235      63.392   5.94 0.000 1.000 0.455 0.257     536.705     350.000       8.933   37 
-    560000      112000.00      36.925      -4.309      32.615   5.57 0.143 0.750 0.409 0.228     334.998     350.000       7.922   37 
-    570000      114000.00      30.137       5.678      35.815   4.21 0.071 0.800 0.355 0.438     273.419     350.000       8.180   37 
-    580000      116000.00      34.443      -0.911      33.532   5.45 0.143 0.818 0.252 0.576     312.487     350.000       7.689   37 
-    590000      118000.00      36.173      -6.440      29.733   7.23 0.214 0.800 0.385 0.510     328.178     350.000       6.540   37 
-    600000      120000.00      35.243     -20.092      15.151   3.25 0.286 0.600 0.236 0.412     319.744     350.000       7.416   37 
-    610000      122000.00      43.637      16.149      59.786   9.03 0.071 0.667 0.242 1.160     395.897     350.000      12.167   37 
-    620000      124000.00      36.883       7.043      43.925   6.15 0.143 0.600 0.182 0.711     334.621     350.000       8.184   37 
-    630000      126000.00      36.046     -10.555      25.491   5.94 0.286 0.714 0.458 0.217     327.025     350.000       6.916   37 
-    640000      128000.00      35.096       8.545      43.641   5.22 0.071 0.750 0.375 0.237     318.407     350.000       8.109   37 
-    650000      130000.00      38.946       3.183      42.128   6.01 0.143 0.000 0.136 0.375     353.335     350.000       9.495   37 
-    660000      132000.00      30.425      -3.373      27.052   3.59 0.071 0.500 0.136 0.823     276.029     350.000       8.468   37 
-    670000      134000.00      27.224       1.688      28.912   7.35 0.000 1.000 0.330 0.416     246.991     350.000       9.748   37 
-    680000      136000.00      33.224       4.169      37.392   6.94 0.143 0.333 0.136 0.761     301.423     350.000      10.372   37 
-    690000      138000.00      29.913      -0.928      28.985   5.49 0.071 0.800 0.364 0.300     271.385     350.000       7.320   37 
-    700000      140000.00      36.201       8.315      44.517   8.18 0.000 1.000 0.136 0.899     328.435     350.000      12.506   37 
-    710000      142000.00      39.552      18.688      58.239   7.11 0.000 1.000 0.409 1.139     358.833     390.000       8.935   37 
-    720000      144000.00      27.106       5.459      32.565   7.95 0.000 1.000 0.200 0.852     245.922     390.000       9.662   37 
-    730000      146000.00      30.194      11.302      41.496   7.50 0.143 0.500 0.170 0.310     273.933     390.000      10.670   37 
-    740000      148000.00      37.696      11.893      49.589   5.25 0.000 1.000 0.288 0.418     341.999     390.000       8.074   37 
-    750000      150000.00      31.144      19.695      50.839   7.78 0.000 1.000 0.136 0.277     282.559     390.000      12.580   37 
-    760000      152000.00      40.559      11.589      52.148   6.51 0.000   NaN   NaN 0.774     367.969     390.000      11.145   37 
-    770000      154000.00      40.007       4.760      44.767   7.49 0.071 0.667 0.167 0.344     362.965     390.000      11.064   37 
-    780000      156000.00      37.363      13.677      51.041   9.92 0.071 0.500 0.136 0.761     338.979     390.000      12.999   37 
-    790000      158000.00      46.226      11.502      57.728   7.16 0.071 0.000 0.136 0.155     419.383     390.000      10.520   37 
-    800000      160000.00      40.367      14.283      54.649   7.19 0.000 1.000 0.282 0.647     366.228     390.000       8.729   37 
-    810000      162000.00      41.079      24.675      65.755   8.27 0.000 1.000 0.136 0.742     372.694     390.000      11.029   37 
-    820000      164000.00      47.538       3.679      51.216   4.79 0.000 1.000 0.391 0.388     431.288     390.000       8.260   37 
-    830000      166000.00      41.229       2.248      43.477   4.77 0.071 0.500 0.227 0.580     374.050     390.000       8.640   37 
-    840000      168000.00      42.374       1.554      43.929   4.78 0.071 0.857 0.461 0.621     384.440     390.000       7.639   37 
-    850000      170000.00      37.889      18.362      56.250   6.21 0.071 0.500 0.182 1.079     343.747     390.000       9.294   37 
-    860000      172000.00      45.152      15.325      60.477   5.82 0.000 1.000 0.386 0.277     409.643     390.000       9.299   37 
-    870000      174000.00      37.535       6.044      43.579   5.04 0.000 1.000 0.394 0.482     340.539     390.000       7.727   37 
-    880000      176000.00      38.732      11.285      50.017   6.95 0.071 0.667 0.227 0.343     351.398     390.000       9.645   37 
-    890000      178000.00      43.846      15.228      59.074   4.39 0.000 1.000 0.318 0.497     397.792     390.000       9.230   37 
-    900000      180000.00      37.829       0.808      38.636   3.54 0.071 0.750 0.386 0.580     343.200     390.000       7.972   37 
-    910000      182000.00      41.573       7.996      49.569   4.52 0.143 0.000 0.159 1.052     377.173     390.000       9.281   37 
-    920000      184000.00      38.899       8.149      47.048   6.91 0.071 0.833 0.159 0.299     352.911     390.000       9.799   37 
-    930000      186000.00      45.881       1.647      47.528   6.74 0.071 0.875 0.278 0.939     416.257     390.000       9.010   37 
-    940000      188000.00      33.487      20.667      54.154   7.57 0.143 0.000 0.136 0.317     303.810     390.000      11.970   37 
-    950000      190000.00      36.856       9.124      45.979   7.78 0.071 0.500 0.136 0.826     334.376     390.000      11.238   37 
-    960000      192000.00      49.474      22.272      71.746   8.04 0.071 0.000 0.136 1.459     448.849     390.000       9.986   37 
-    970000      194000.00      34.599      11.418      46.018   6.83 0.071 0.800 0.227 1.245     313.902     390.000       8.071   37 
-    980000      196000.00      38.924      10.463      49.387   6.61 0.000 1.000 0.523 0.538     353.136     390.000       7.903   37 
-    990000      198000.00      48.509       4.221      52.729   5.38 0.071 0.875 0.375 0.246     440.095     390.000       7.237   37 
-   1000000      200000.00      45.700      15.485      61.185   4.59 0.071 0.667 0.182 0.283     414.615     390.000       9.318   37 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB038.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB038.stat
deleted file mode 100644
index 4cc4a7e..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB038.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      33.778     113.732     147.510  12.87 0.000   NaN   NaN 4.850     306.451     340.000      15.552   38 
-     10000        2000.00      28.388      -1.232      27.156   7.41 0.214 0.500 0.159 0.187     257.552     340.000      10.350   38 
-     20000        4000.00      27.430      10.143      37.574   7.74 0.071 0.875 0.267 0.597     248.860     340.000       8.257   38 
-     30000        6000.00      40.126      -5.232      34.894   3.10 0.357 0.643 0.256 0.353     364.042     340.000       7.394   38 
-     40000        8000.00      36.777      -7.715      29.062   5.07 0.143 0.750 0.312 0.376     333.662     340.000       7.197   38 
-     50000       10000.00      35.280     -10.689      24.592   4.31 0.143 0.818 0.364 0.741     320.080     340.000       6.573   38 
-     60000       12000.00      41.328       7.223      48.551   5.98 0.000 1.000 0.205 1.248     374.945     340.000      10.970   38 
-     70000       14000.00      43.738      -9.364      34.375   5.72 0.143 0.750 0.511 0.437     396.816     340.000       7.753   38 
-     80000       16000.00      33.084      -4.421      28.663   6.68 0.071 0.750 0.330 0.331     300.154     340.000       8.992   38 
-     90000       18000.00      30.837      -2.070      28.767   7.72 0.143 0.000 0.136 0.578     279.769     340.000      11.304   38 
-    100000       20000.00      33.721       2.572      36.293   4.20 0.214 0.571 0.377 0.650     305.933     340.000       7.662   38 
-    110000       22000.00      34.388     -13.870      20.518   6.61 0.143 0.778 0.232 0.704     311.981     330.000       7.787   38 
-    120000       24000.00      30.412      -6.123      24.289   4.45 0.214 0.769 0.360 1.034     275.912     330.000       7.193   38 
-    130000       26000.00      40.649      -5.528      35.121   4.68 0.143 0.818 0.236 0.587     368.787     330.000       7.207   38 
-    140000       28000.00      36.493      -5.139      31.354   4.04 0.143 0.778 0.348 0.449     331.079     330.000       7.006   38 
-    150000       30000.00      40.473      -3.657      36.815   6.31 0.071 0.889 0.323 0.447     367.189     330.000       8.272   38 
-    160000       32000.00      41.699       2.879      44.579   7.31 0.143 0.600 0.200 2.075     378.319     330.000       8.529   38 
-    170000       34000.00      30.949      -4.527      26.422   4.34 0.214 0.571 0.162 0.546     280.782     330.000       8.091   38 
-    180000       36000.00      33.362     -18.910      14.452   4.05 0.071 0.909 0.215 0.333     302.676     330.000       6.891   38 
-    190000       38000.00      32.748      -3.631      29.118   5.91 0.071 0.833 0.348 0.514     297.108     330.000       7.705   38 
-    200000       40000.00      37.394      -8.685      28.709   5.37 0.071 0.917 0.383 0.246     339.259     330.000       7.392   38 
-    210000       42000.00      32.855      -4.791      28.064   6.13 0.143 0.800 0.236 0.428     298.081     330.000       8.547   38 
-    220000       44000.00      41.907     -16.563      25.345   5.53 0.143 0.750 0.205 0.309     380.205     330.000       8.243   38 
-    230000       46000.00      32.832      -0.345      32.486   4.89 0.000 1.000 0.218 0.655     297.865     330.000       7.570   38 
-    240000       48000.00      40.016     -20.976      19.040   3.74 0.286 0.667 0.280 0.616     363.047     330.000       6.869   38 
-    250000       50000.00      33.485      -3.678      29.806   4.45 0.000 1.000 0.159 0.460     303.789     330.000       8.266   38 
-    260000       52000.00      29.804      -7.179      22.624   5.75 0.143 0.818 0.347 0.360     270.394     330.000       7.154   38 
-    270000       54000.00      34.636       2.025      36.661   6.41 0.071 0.833 0.265 0.564     314.238     330.000       8.772   38 
-    280000       56000.00      39.839     -13.489      26.350   5.55 0.071 0.889 0.237 0.351     361.440     330.000       7.515   38 
-    290000       58000.00      40.513     -11.759      28.754   4.79 0.214 0.750 0.356 0.337     367.559     330.000       6.716   38 
-    300000       60000.00      36.355     -11.889      24.466   3.30 0.214 0.571 0.182 0.352     329.828     330.000       7.538   38 
-    310000       62000.00      32.027      -7.761      24.266   5.95 0.143 0.667 0.273 0.263     290.566     330.000       7.245   38 
-    320000       64000.00      22.167      -4.878      17.289   5.90 0.071 0.917 0.261 0.888     201.109     330.000       7.755   38 
-    330000       66000.00      34.109      -7.987      26.121   4.18 0.071 0.833 0.235 0.300     309.450     330.000       7.557   38 
-    340000       68000.00      31.210      -5.896      25.314   4.62 0.071 0.900 0.323 0.580     283.152     330.000       7.605   38 
-    350000       70000.00      30.880      -5.584      25.296   4.46 0.071 0.889 0.333 0.617     280.156     330.000       6.849   38 
-    360000       72000.00      28.069      -3.268      24.801   3.28 0.214 0.769 0.248 1.165     254.658     330.000       7.527   38 
-    370000       74000.00      43.267      18.518      61.785   6.29 0.000 1.000 0.167 0.804     392.542     330.000       7.970   38 
-    380000       76000.00      39.808     -16.315      23.493   4.57 0.071 0.857 0.195 0.517     361.156     330.000       7.521   38 
-    390000       78000.00      26.394      -2.113      24.281   5.86 0.071 0.875 0.324 0.476     239.462     330.000       8.132   38 
-    400000       80000.00      41.072      -3.970      37.102   5.09 0.143 0.778 0.308 0.495     372.626     330.000       7.157   38 
-    410000       82000.00      34.231     -13.358      20.874   5.50 0.214 0.500 0.182 0.376     310.565     320.000       7.942   38 
-    420000       84000.00      24.158     -12.880      11.278   4.60 0.143 0.600 0.191 0.455     219.178     320.000       8.953   38 
-    430000       86000.00      31.353     -12.099      19.254   3.74 0.143 0.750 0.341 0.529     284.450     320.000       7.216   38 
-    440000       88000.00      34.691     -12.217      22.474   3.71 0.071 0.889 0.308 0.957     314.739     320.000       7.001   38 
-    450000       90000.00      33.180     -17.064      16.116   6.57 0.214 0.769 0.238 0.254     301.025     320.000       8.320   38 
-    460000       92000.00      40.315     -14.113      26.202   5.65 0.143 0.800 0.209 1.139     365.760     320.000       7.259   38 
-    470000       94000.00      30.799      -8.318      22.481   7.93 0.143 0.714 0.182 0.252     279.426     320.000      10.239   38 
-    480000       96000.00      36.373      -4.518      31.856   3.08 0.143 0.600 0.300 0.741     329.999     320.000       7.948   38 
-    490000       98000.00      31.820      -4.244      27.577   6.99 0.143 0.714 0.162 0.590     288.691     320.000       9.777   38 
-    500000      100000.00      34.846     -13.116      21.730   4.08 0.071 0.889 0.328 0.220     316.144     320.000       6.689   38 
-    510000      102000.00      37.784       5.454      43.237  10.39 0.143 0.600 0.173 0.273     342.793     330.000      13.454   38 
-    520000      104000.00      36.648     -13.952      22.695   4.08 0.286 0.600 0.236 0.488     332.486     330.000       7.039   38 
-    530000      106000.00      37.905       2.925      40.830   5.71 0.214 0.250 0.159 0.490     343.896     330.000       9.751   38 
-    540000      108000.00      31.475     -10.783      20.692   4.82 0.071 0.938 0.361 0.471     285.562     330.000       6.689   38 
-    550000      110000.00      40.440     -10.318      30.123   4.40 0.071 0.750 0.295 0.450     366.894     330.000       6.881   38 
-    560000      112000.00      34.827     -12.279      22.549   4.52 0.143 0.778 0.217 0.938     315.970     330.000       7.963   38 
-    570000      114000.00      33.221     -21.292      11.929   3.81 0.214 0.727 0.364 0.804     301.399     330.000       7.056   38 
-    580000      116000.00      36.526     -10.925      25.602   6.07 0.143 0.778 0.202 0.501     331.384     330.000       8.083   38 
-    590000      118000.00      33.430       0.685      34.115   5.12 0.214 0.571 0.234 0.692     303.293     330.000       8.103   38 
-    600000      120000.00      40.430      -4.465      35.965   5.56 0.214 0.571 0.279 0.523     366.805     330.000       7.911   38 
-    610000      122000.00      40.409      -7.257      33.152   4.55 0.143 0.818 0.417 0.801     366.609     330.000       7.549   38 
-    620000      124000.00      39.655      -3.566      36.090   4.92 0.143 0.600 0.182 1.314     359.774     330.000       8.700   38 
-    630000      126000.00      31.905      -3.319      28.586   4.52 0.071 0.857 0.331 0.382     289.458     330.000       6.871   38 
-    640000      128000.00      32.901      -4.298      28.603   5.15 0.143 0.500 0.364 0.395     298.495     330.000       7.416   38 
-    650000      130000.00      38.686       0.529      39.215   5.43 0.071 0.909 0.326 0.759     350.981     330.000       7.942   38 
-    660000      132000.00      28.579     -12.340      16.240   5.23 0.143 0.667 0.205 0.887     259.284     330.000       8.382   38 
-    670000      134000.00      36.460      -6.342      30.118   6.77 0.214 0.667 0.384 0.594     330.788     330.000       7.202   38 
-    680000      136000.00      41.605      -6.061      35.544   5.62 0.143 0.714 0.331 0.478     377.466     330.000       8.130   38 
-    690000      138000.00      32.506       8.156      40.661   4.90 0.000 1.000 0.523 0.408     294.910     330.000       7.600   38 
-    700000      140000.00      34.409     -14.024      20.385   2.60 0.429 0.538 0.245 0.645     312.174     330.000       6.980   38 
-    710000      142000.00      27.354     -17.969       9.385   4.65 0.286 0.667 0.193 0.321     248.173     330.000       8.174   38 
-    720000      144000.00      28.324     -13.569      14.755   2.97 0.286 0.600 0.241 0.901     256.971     330.000       7.584   38 
-    730000      146000.00      29.737      -8.684      21.053   6.96 0.000 1.000 0.333 0.177     269.788     330.000       7.183   38 
-    740000      148000.00      23.832       5.666      29.498   7.39 0.071 0.750 0.193 0.325     216.219     330.000       9.895   38 
-    750000      150000.00      30.105      -0.960      29.144   6.49 0.000 1.000 0.468 1.447     273.125     330.000       7.423   38 
-    760000      152000.00      44.063      -2.188      41.875   5.27 0.214 0.700 0.223 0.740     399.763     330.000       8.102   38 
-    770000      154000.00      27.157     -13.167      13.990   3.76 0.286 0.636 0.306 0.792     246.384     330.000       6.668   38 
-    780000      156000.00      34.600      -9.575      25.025   4.37 0.143 0.818 0.306 0.183     313.914     330.000       6.688   38 
-    790000      158000.00      30.148      -5.816      24.333   4.53 0.143 0.667 0.341 0.310     273.522     330.000       7.314   38 
-    800000      160000.00      29.752       4.479      34.231   5.44 0.000 1.000 0.392 0.732     269.928     330.000       7.811   38 
-    810000      162000.00      37.793      -2.958      34.835   4.30 0.143 0.714 0.208 0.346     342.873     340.000       7.862   38 
-    820000      164000.00      31.935       3.926      35.861   6.78 0.000 1.000 0.284 0.689     289.729     340.000       7.783   38 
-    830000      166000.00      29.172      -3.553      25.619   6.67 0.071 0.800 0.218 1.502     264.661     340.000       8.916   38 
-    840000      168000.00      28.437      -6.895      21.541   6.99 0.214 0.500 0.182 0.441     257.991     340.000       8.777   38 
-    850000      170000.00      35.924      -2.081      33.842   4.22 0.214 0.769 0.301 0.650     325.920     340.000       7.454   38 
-    860000      172000.00      42.825       4.697      47.523   6.80 0.000 1.000 0.420 1.371     388.533     340.000       7.370   38 
-    870000      174000.00      32.177     -15.125      17.051   3.97 0.214 0.667 0.258 0.346     291.923     340.000       6.955   38 
-    880000      176000.00      33.336       2.210      35.546   4.52 0.143 0.667 0.273 1.057     302.442     340.000       8.196   38 
-    890000      178000.00      28.581       6.039      34.620   6.16 0.071 0.889 0.374 0.152     259.301     340.000       8.428   38 
-    900000      180000.00      35.252     -11.051      24.201   4.59 0.214 0.667 0.202 0.726     319.821     340.000       7.659   38 
-    910000      182000.00      30.959      -2.992      27.967   4.73 0.214 0.500 0.227 0.312     280.878     330.000       8.514   38 
-    920000      184000.00      31.352       6.310      37.662   4.91 0.000 1.000 0.336 0.482     284.442     330.000       8.154   38 
-    930000      186000.00      30.473       2.908      33.381   3.40 0.214 0.625 0.312 0.900     276.463     330.000       7.644   38 
-    940000      188000.00      41.326      -1.340      39.986   4.87 0.143 0.750 0.494 0.850     374.935     330.000       7.575   38 
-    950000      190000.00      31.963     -19.027      12.936   5.53 0.000 1.000 0.260 0.696     289.984     330.000       7.094   38 
-    960000      192000.00      38.743     -10.921      27.822   7.75 0.143 0.600 0.164 0.618     351.494     330.000      10.540   38 
-    970000      194000.00      34.696     -15.312      19.384   5.18 0.214 0.727 0.405 0.807     314.783     330.000       6.864   38 
-    980000      196000.00      31.974     -12.984      18.990   4.19 0.143 0.800 0.255 0.495     290.082     330.000       6.700   38 
-    990000      198000.00      35.551      -2.919      32.633   4.62 0.071 0.800 0.336 0.241     322.541     330.000       7.658   38 
-   1000000      200000.00      29.354     -10.818      18.536   6.59 0.071 0.889 0.217 0.409     266.314     330.000       7.951   38 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB039.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB039.stat
deleted file mode 100644
index 5d4a5a4..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB039.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      32.536     113.732     146.268  12.87 0.000   NaN   NaN 4.850     295.185     340.000      15.552   39 
-     10000        2000.00      31.406     -16.497      14.909   4.36 0.143 0.833 0.261 0.519     284.936     340.000       7.380   39 
-     20000        4000.00      31.048     -11.329      19.719   5.73 0.143 0.800 0.364 0.461     281.684     340.000       6.912   39 
-     30000        6000.00      32.668      -1.121      31.547   6.22 0.143 0.667 0.212 0.235     296.384     340.000       9.347   39 
-     40000        8000.00      38.959      -1.157      37.802   9.49 0.214 0.571 0.188 0.505     353.456     340.000      12.500   39 
-     50000       10000.00      33.065      -0.560      32.505   6.99 0.071 0.500 0.182 1.214     299.982     340.000       8.801   39 
-     60000       12000.00      35.473       1.575      37.048   3.88 0.143 0.778 0.237 0.402     321.828     340.000       8.161   39 
-     70000       14000.00      48.277      -3.588      44.689   4.12 0.214 0.727 0.256 0.465     437.997     340.000       6.952   39 
-     80000       16000.00      37.354      -0.525      36.829   4.49 0.071 0.667 0.212 0.904     338.892     340.000       8.595   39 
-     90000       18000.00      40.884       9.034      49.918   5.88 0.143 0.833 0.303 0.546     370.920     340.000       7.164   39 
-    100000       20000.00      41.369       9.178      50.547   5.72 0.000 1.000 0.182 0.838     375.317     340.000       8.591   39 
-    110000       22000.00      32.371       7.921      40.292   8.86 0.000 1.000 0.159 0.915     293.686     350.000      12.954   39 
-    120000       24000.00      37.181       2.966      40.147   5.53 0.000 1.000 0.379 0.686     337.327     350.000       9.058   39 
-    130000       26000.00      32.553       9.416      41.968   6.77 0.143 0.667 0.174 0.218     295.335     350.000       9.732   39 
-    140000       28000.00      37.108      -1.050      36.058   5.74 0.071 0.833 0.500 0.264     336.662     350.000       8.198   39 
-    150000       30000.00      35.229       3.744      38.973   5.53 0.071 0.750 0.375 0.646     319.618     350.000       7.989   39 
-    160000       32000.00      42.339       1.345      43.684   6.56 0.143 0.750 0.256 0.243     384.123     350.000       8.159   39 
-    170000       34000.00      43.498      -1.905      41.594   7.55 0.071 0.900 0.359 0.496     394.641     350.000       7.869   39 
-    180000       36000.00      41.344     -11.544      29.799   6.59 0.000 1.000 0.280 1.337     375.091     350.000       6.928   39 
-    190000       38000.00      41.802      -1.595      40.207   5.80 0.000 1.000 0.398 0.230     379.253     350.000       8.461   39 
-    200000       40000.00      37.012       3.459      40.471   4.97 0.214 0.571 0.357 0.641     335.792     350.000       7.548   39 
-    210000       42000.00      44.438      12.251      56.689   6.86 0.071 0.833 0.197 0.710     403.164     390.000      10.802   39 
-    220000       44000.00      45.275      14.564      59.839   9.44 0.071 0.750 0.205 0.386     410.761     390.000      11.929   39 
-    230000       46000.00      41.747       2.388      44.135   6.03 0.071 0.875 0.511 0.721     378.750     390.000       6.808   39 
-    240000       48000.00      40.701      10.732      51.433   5.86 0.000 1.000 0.205 0.342     369.265     390.000       8.220   39 
-    250000       50000.00      45.538       9.390      54.928   6.31 0.071 0.800 0.191 0.373     413.146     390.000       9.813   39 
-    260000       52000.00      37.207      12.044      49.252   6.04 0.000   NaN   NaN 0.287     337.565     390.000       9.886   39 
-    270000       54000.00      36.941       5.941      42.882   8.81 0.214 0.250 0.148 0.696     335.149     390.000      10.579   39 
-    280000       56000.00      41.453       7.202      48.655   6.18 0.000 1.000 0.250 0.685     376.086     390.000       8.799   39 
-    290000       58000.00      40.078      16.352      56.430   6.41 0.071 0.750 0.250 0.888     363.608     390.000       8.952   39 
-    300000       60000.00      33.827       6.943      40.770   6.74 0.000 1.000 0.273 0.911     306.892     390.000       7.877   39 
-    310000       62000.00      36.554       4.834      41.389   5.92 0.214 0.250 0.193 0.643     331.639     370.000       8.919   39 
-    320000       64000.00      52.882       5.889      58.771   6.59 0.071 0.833 0.205 0.657     479.775     370.000       9.180   39 
-    330000       66000.00      34.994       7.173      42.167   5.26 0.071 0.667 0.288 0.605     317.488     370.000       8.600   39 
-    340000       68000.00      30.169       9.273      39.442   7.06 0.143 0.857 0.295 0.850     273.708     370.000       7.317   39 
-    350000       70000.00      34.049      14.882      48.931   9.89 0.071 0.500 0.136 0.836     308.906     370.000      13.893   39 
-    360000       72000.00      38.545       7.054      45.599   4.26 0.000 1.000 0.500 0.477     349.704     370.000       8.613   39 
-    370000       74000.00      40.935       9.866      50.801   5.87 0.000 1.000 0.258 0.783     371.387     370.000       8.639   39 
-    380000       76000.00      40.309       1.779      42.088   5.51 0.286 0.500 0.284 0.242     365.701     370.000       7.872   39 
-    390000       78000.00      33.314      17.202      50.516   7.01 0.071 0.500 0.159 0.688     302.243     370.000       8.279   39 
-    400000       80000.00      35.211      -1.867      33.344   4.59 0.000 1.000 0.383 0.332     319.453     370.000       7.907   39 
-    410000       82000.00      37.179       5.140      42.318   5.41 0.214 0.625 0.216 0.430     337.304     370.000       9.337   39 
-    420000       84000.00      43.103       0.336      43.438   4.90 0.286 0.429 0.253 0.462     391.050     370.000       7.132   39 
-    430000       86000.00      40.518      11.075      51.593   5.18 0.000 1.000 0.273 0.282     367.598     370.000       9.355   39 
-    440000       88000.00      46.105       4.932      51.037   4.51 0.071 0.857 0.383 0.710     418.290     370.000       7.774   39 
-    450000       90000.00      34.306       1.425      35.731   5.04 0.143 0.333 0.182 0.883     311.241     370.000       9.437   39 
-    460000       92000.00      26.743      15.116      41.859   5.77 0.071 0.857 0.208 0.678     242.624     370.000       8.336   39 
-    470000       94000.00      38.454      12.232      50.686   6.16 0.071 0.667 0.182 0.216     348.872     370.000       8.696   39 
-    480000       96000.00      30.678      11.083      41.761   8.95 0.000 1.000 0.136 0.367     278.327     370.000      12.837   39 
-    490000       98000.00      32.889      -0.751      32.138   8.50 0.143 0.778 0.217 0.493     298.384     370.000      10.660   39 
-    500000      100000.00      35.643       4.939      40.581   5.96 0.071 0.875 0.386 0.584     323.370     370.000       7.311   39 
-    510000      102000.00      35.624      11.818      47.442   6.39 0.143 0.667 0.197 0.479     323.197     360.000      10.453   39 
-    520000      104000.00      42.571      11.516      54.088   9.60 0.000   NaN   NaN 0.424     386.231     360.000      13.502   39 
-    530000      106000.00      39.603     -12.108      27.494   4.40 0.286 0.500 0.307 0.666     359.295     360.000       7.515   39 
-    540000      108000.00      34.446      17.717      52.162   6.65 0.071 0.000 0.136 0.713     312.510     360.000      11.105   39 
-    550000      110000.00      37.525       4.185      41.710   4.52 0.071 0.750 0.205 0.631     340.446     360.000       7.997   39 
-    560000      112000.00      31.096       8.934      40.030   4.71 0.143 0.800 0.291 0.210     282.115     360.000       7.152   39 
-    570000      114000.00      40.574       2.109      42.683   7.40 0.143 0.500 0.170 0.824     368.107     360.000      11.029   39 
-    580000      116000.00      39.456       6.042      45.498   4.93 0.000 1.000 0.136 0.511     357.962     360.000       9.348   39 
-    590000      118000.00      38.400      -2.259      36.140   4.61 0.214 0.700 0.436 0.248     348.382     360.000       7.113   39 
-    600000      120000.00      47.128       9.776      56.904   6.22 0.000 1.000 0.136 1.127     427.573     360.000       9.329   39 
-    610000      122000.00      49.676       7.705      57.381   6.09 0.143 0.714 0.221 0.400     450.685     360.000       8.307   39 
-    620000      124000.00      36.749      10.714      47.462   9.71 0.214 0.400 0.173 0.344     333.401     360.000      12.204   39 
-    630000      126000.00      33.010       6.693      39.704   6.92 0.000   NaN   NaN 1.497     299.488     360.000       8.907   39 
-    640000      128000.00      29.823      12.946      42.769   7.50 0.143 0.714 0.162 0.225     270.571     360.000      10.235   39 
-    650000      130000.00      35.081       2.266      37.347   5.07 0.000 1.000 0.391 0.271     318.273     360.000       9.351   39 
-    660000      132000.00      34.141      13.598      47.740   8.25 0.214 0.400 0.173 0.671     309.748     360.000      10.518   39 
-    670000      134000.00      38.323      -4.705      33.617   6.05 0.143 0.778 0.237 0.339     347.682     360.000       7.604   39 
-    680000      136000.00      38.478      11.752      50.230   7.37 0.000 1.000 0.307 0.375     349.095     360.000      10.712   39 
-    690000      138000.00      42.716       1.928      44.644   5.84 0.143 0.667 0.341 0.782     387.543     360.000       8.374   39 
-    700000      140000.00      39.975      19.927      59.902   9.70 0.000 1.000 0.136 0.424     362.670     360.000      12.480   39 
-    710000      142000.00      37.659      11.042      48.701   5.24 0.000 1.000 0.136 0.490     341.658     400.000       9.797   39 
-    720000      144000.00      28.555      15.812      44.367   5.64 0.071 0.833 0.295 0.297     259.068     400.000       8.790   39 
-    730000      146000.00      42.985      23.455      66.440   8.13 0.000 1.000 0.182 0.767     389.978     400.000      10.701   39 
-    740000      148000.00      43.683      20.554      64.237   7.18 0.000 1.000 0.182 0.411     396.311     400.000      10.599   39 
-    750000      150000.00      50.963      16.210      67.173   7.64 0.143 0.000 0.159 0.336     462.361     400.000      11.092   39 
-    760000      152000.00      40.478       7.991      48.469   5.77 0.143 0.333 0.152 0.803     367.241     400.000       9.245   39 
-    770000      154000.00      39.111       4.790      43.901   5.54 0.071 0.833 0.417 0.287     354.836     400.000       7.762   39 
-    780000      156000.00      47.737      17.643      65.379   5.57 0.000 1.000 0.394 0.920     433.091     400.000       8.118   39 
-    790000      158000.00      37.751      12.110      49.862  10.82 0.071 0.000 0.136 0.416     342.498     400.000      13.195   39 
-    800000      160000.00      42.947      11.255      54.202   7.83 0.071 0.000 0.136 0.647     389.641     400.000      12.616   39 
-    810000      162000.00      40.463       7.314      47.777   4.18 0.071 0.800 0.336 0.966     367.103     390.000       7.088   39 
-    820000      164000.00      37.729       7.055      44.784   5.85 0.000 1.000 0.424 0.750     342.298     390.000       7.929   39 
-    830000      166000.00      35.244       5.938      41.182   5.70 0.071 0.500 0.136 0.437     319.751     390.000       8.976   39 
-    840000      168000.00      39.767      15.777      55.544   6.49 0.000 1.000 0.341 0.465     360.787     390.000       9.939   39 
-    850000      170000.00      30.101      12.263      42.364   6.96 0.000 1.000 0.398 0.676     273.093     390.000       8.334   39 
-    860000      172000.00      45.403       7.992      53.395   5.92 0.071 0.750 0.352 0.753     411.916     390.000       8.539   39 
-    870000      174000.00      44.691       8.895      53.586   5.71 0.143 0.600 0.218 0.316     405.458     390.000       8.826   39 
-    880000      176000.00      31.398      10.220      41.618   7.97 0.000 1.000 0.155 0.382     284.858     390.000      11.013   39 
-    890000      178000.00      41.012       8.219      49.231   6.72 0.000 1.000 0.364 0.576     372.083     390.000       9.224   39 
-    900000      180000.00      37.048       7.030      44.078   4.09 0.071 0.800 0.291 0.654     336.116     390.000       8.489   39 
-    910000      182000.00      35.544       5.992      41.536   7.07 0.143 0.500 0.159 0.818     322.477     370.000       9.153   39 
-    920000      184000.00      33.638      10.253      43.890   5.82 0.071 0.857 0.325 0.278     305.177     370.000       8.648   39 
-    930000      186000.00      38.383      11.244      49.627   8.57 0.000 1.000 0.136 0.711     348.231     370.000      10.135   39 
-    940000      188000.00      29.552       6.525      36.077   5.31 0.071 0.500 0.295 0.142     268.114     370.000       8.760   39 
-    950000      190000.00      42.126       6.202      48.328   4.20 0.214 0.400 0.182 0.421     382.186     370.000       8.539   39 
-    960000      192000.00      38.547      10.582      49.128   6.41 0.071 0.857 0.253 0.600     349.714     370.000       8.654   39 
-    970000      194000.00      42.091      13.870      55.961  11.40 0.071 0.000 0.136 0.817     381.872     370.000      13.656   39 
-    980000      196000.00      43.015       6.187      49.202   7.25 0.071 0.500 0.205 0.336     390.257     370.000      10.807   39 
-    990000      198000.00      35.615       4.340      39.955   3.68 0.286 0.333 0.189 0.411     323.122     370.000       8.064   39 
-   1000000      200000.00      42.143       7.302      49.444   4.75 0.143 0.500 0.455 0.403     382.339     370.000       7.417   39 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB040.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB040.stat
deleted file mode 100644
index b321aeb..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB040.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      34.274     113.442     147.716  12.87 0.000   NaN   NaN 4.850     310.950     350.000      15.552   40 
-     10000        2000.00      30.981       1.422      32.403   7.47 0.071 0.857 0.299 0.404     281.075     350.000       7.293   40 
-     20000        4000.00      35.616       0.267      35.883   7.17 0.000 1.000 0.236 0.120     323.126     350.000       9.034   40 
-     30000        6000.00      32.997      -2.018      30.979   6.78 0.000 1.000 0.386 0.323     299.363     350.000       8.333   40 
-     40000        8000.00      36.870       9.521      46.391   5.27 0.143 0.500 0.284 0.687     334.508     350.000       8.690   40 
-     50000       10000.00      28.132       7.169      35.300   5.94 0.071 0.667 0.197 0.365     255.227     350.000       8.771   40 
-     60000       12000.00      42.678      11.105      53.784   5.26 0.000 1.000 0.432 0.149     387.199     350.000       8.154   40 
-     70000       14000.00      35.539      -3.879      31.660   6.36 0.000 1.000 0.445 0.410     322.427     350.000       8.272   40 
-     80000       16000.00      34.744      -4.215      30.529   6.67 0.071 0.750 0.216 0.465     315.212     350.000       8.335   40 
-     90000       18000.00      34.287      -3.155      31.132   5.49 0.214 0.571 0.169 0.949     311.070     350.000       7.872   40 
-    100000       20000.00      29.412       1.815      31.226   4.79 0.214 0.400 0.164 0.209     266.839     350.000       8.594   40 
-    110000       22000.00      46.590      -4.357      42.232   4.35 0.143 0.714 0.364 0.272     422.685     340.000       7.723   40 
-    120000       24000.00      29.553      -4.461      25.092   4.50 0.214 0.500 0.394 0.291     268.121     340.000       6.727   40 
-    130000       26000.00      38.541      -5.308      33.233   4.54 0.214 0.667 0.197 0.649     349.661     340.000       8.326   40 
-    140000       28000.00      30.499      -5.680      24.819   5.32 0.143 0.778 0.343 0.974     276.702     340.000       6.949   40 
-    150000       30000.00      33.611       1.266      34.877   4.68 0.286 0.636 0.244 1.077     304.938     340.000       7.219   40 
-    160000       32000.00      34.435       0.400      34.835   4.54 0.071 0.833 0.432 0.526     312.415     340.000       7.403   40 
-    170000       34000.00      33.564      -6.455      27.109   4.79 0.214 0.571 0.195 0.459     304.511     340.000       7.440   40 
-    180000       36000.00      35.083     -15.485      19.598   2.94 0.071 0.857 0.240 0.504     318.287     340.000       7.801   40 
-    190000       38000.00      29.361      -2.272      27.090   5.02 0.071 0.875 0.420 0.381     266.382     340.000       6.954   40 
-    200000       40000.00      32.865     -13.818      19.046   5.63 0.071 0.857 0.403 0.946     298.165     340.000       7.015   40 
-    210000       42000.00      49.862     -11.035      38.826   6.82 0.143 0.667 0.242 0.359     452.371     340.000       8.023   40 
-    220000       44000.00      35.324      -7.617      27.707   5.47 0.071 0.833 0.212 0.905     320.480     340.000       8.820   40 
-    230000       46000.00      38.092      -1.871      36.221   4.79 0.071 0.857 0.312 0.415     345.587     340.000       7.632   40 
-    240000       48000.00      34.876       1.917      36.792   6.37 0.071 0.667 0.182 0.406     316.409     340.000       9.991   40 
-    250000       50000.00      32.944     -10.837      22.107   3.75 0.214 0.625 0.307 0.261     298.883     340.000       7.404   40 
-    260000       52000.00      37.915      -5.229      32.687   4.74 0.143 0.714 0.357 0.692     343.987     340.000       7.316   40 
-    270000       54000.00      37.089       2.240      39.329   5.67 0.000 1.000 0.205 0.477     336.493     340.000      10.481   40 
-    280000       56000.00      34.966       1.986      36.953   4.61 0.214 0.000 0.182 0.914     317.233     340.000       7.710   40 
-    290000       58000.00      32.579      -5.729      26.849   6.94 0.143 0.750 0.210 0.410     295.571     340.000       8.919   40 
-    300000       60000.00      42.000       1.972      43.972   7.95 0.143 0.600 0.182 0.740     381.043     340.000       9.998   40 
-    310000       62000.00      34.647      -1.551      33.097   5.19 0.143 0.750 0.420 0.456     314.338     340.000       7.895   40 
-    320000       64000.00      25.683      -5.262      20.421   5.15 0.143 0.846 0.325 0.693     233.012     340.000       6.634   40 
-    330000       66000.00      34.084      -1.072      33.012   8.12 0.214 0.250 0.136 0.530     309.223     340.000       8.782   40 
-    340000       68000.00      43.697      -9.218      34.479   4.46 0.143 0.600 0.282 0.695     396.444     340.000       7.334   40 
-    350000       70000.00      36.766      -6.924      29.842   2.89 0.214 0.727 0.314 0.937     333.559     340.000       6.754   40 
-    360000       72000.00      36.400       2.422      38.822   6.16 0.286 0.429 0.175 0.200     330.239     340.000       8.262   40 
-    370000       74000.00      34.101       0.513      34.614   6.96 0.143 0.800 0.345 0.663     309.385     340.000       6.917   40 
-    380000       76000.00      33.933      -0.972      32.961   3.82 0.143 0.750 0.307 0.217     307.861     340.000       7.286   40 
-    390000       78000.00      43.578       3.205      46.783   6.71 0.000 1.000 0.245 0.642     395.363     340.000       7.886   40 
-    400000       80000.00      36.199      -0.215      35.984   3.46 0.214 0.625 0.176 0.386     328.416     340.000       7.717   40 
-    410000       82000.00      34.966     -14.535      20.431   3.37 0.286 0.556 0.293 0.532     317.226     330.000       6.996   40 
-    420000       84000.00      36.693      -8.112      28.582   5.25 0.214 0.833 0.364 0.613     332.900     330.000       6.847   40 
-    430000       86000.00      23.936      -6.555      17.381   4.95 0.286 0.667 0.375 0.988     217.157     330.000       7.060   40 
-    440000       88000.00      34.384      -1.736      32.648   4.53 0.000 1.000 0.209 0.264     311.951     330.000       7.969   40 
-    450000       90000.00      26.779      -7.421      19.358   5.35 0.214 0.750 0.220 0.375     242.949     330.000       7.573   40 
-    460000       92000.00      38.856     -13.174      25.682   3.86 0.214 0.727 0.240 0.692     352.525     330.000       7.241   40 
-    470000       94000.00      36.384     -16.343      20.041   4.93 0.143 0.818 0.236 0.667     330.095     330.000       6.562   40 
-    480000       96000.00      34.383     -14.447      19.936   6.38 0.071 0.857 0.273 0.749     311.937     330.000       7.284   40 
-    490000       98000.00      34.231     -10.975      23.257   5.60 0.071 0.833 0.273 0.316     310.566     330.000       8.249   40 
-    500000      100000.00      38.734       2.133      40.867   3.87 0.214 0.571 0.214 0.226     351.418     330.000       7.315   40 
-    510000      102000.00      37.161     -11.348      25.813   6.91 0.357 0.545 0.161 0.616     337.141     320.000       9.098   40 
-    520000      104000.00      39.940      -4.612      35.327   5.32 0.214 0.769 0.252 0.667     362.353     320.000       6.918   40 
-    530000      106000.00      36.140     -15.647      20.494   4.38 0.143 0.800 0.268 0.515     327.885     320.000       6.781   40 
-    540000      108000.00      37.125     -10.835      26.290   3.51 0.143 0.667 0.197 0.225     336.813     320.000       7.239   40 
-    550000      110000.00      31.597     -17.750      13.847   3.56 0.286 0.714 0.354 0.668     286.661     320.000       6.586   40 
-    560000      112000.00      31.573      -6.147      25.426   4.16 0.143 0.750 0.318 0.556     286.445     320.000       7.420   40 
-    570000      114000.00      32.372      -9.147      23.225   4.87 0.286 0.556 0.263 0.471     293.697     320.000       7.537   40 
-    580000      116000.00      27.712     -16.080      11.632   3.18 0.214 0.800 0.239 0.440     251.417     320.000       7.432   40 
-    590000      118000.00      39.628     -18.993      20.635   3.74 0.357 0.706 0.353 0.289     359.530     320.000       6.700   40 
-    600000      120000.00      27.932     -21.350       6.583   2.54 0.286 0.556 0.323 1.022     253.417     320.000       6.818   40 
-    610000      122000.00      29.096     -19.313       9.783   3.58 0.071 0.833 0.250 0.969     263.972     310.000       7.005   40 
-    620000      124000.00      38.433     -31.860       6.572   3.56 0.143 0.875 0.358 0.484     348.681     310.000       6.809   40 
-    630000      126000.00      31.629     -20.384      11.245   2.98 0.286 0.600 0.173 0.719     286.950     310.000       7.801   40 
-    640000      128000.00      32.358     -12.919      19.439   4.01 0.214 0.571 0.201 0.333     293.572     310.000       7.619   40 
-    650000      130000.00      32.497     -17.227      15.269   3.95 0.500 0.562 0.318 0.448     294.825     310.000       6.536   40 
-    660000      132000.00      32.495     -16.207      16.288   3.82 0.357 0.667 0.264 0.725     294.809     310.000       6.423   40 
-    670000      134000.00      35.845      -9.657      26.189   4.11 0.071 0.875 0.239 0.283     325.208     310.000       7.510   40 
-    680000      136000.00      29.529     -13.245      16.284   5.60 0.357 0.444 0.177 0.767     267.904     310.000       8.293   40 
-    690000      138000.00      35.458     -11.949      23.508   3.39 0.286 0.500 0.170 0.640     321.689     310.000       7.380   40 
-    700000      140000.00      36.993     -13.534      23.459   3.15 0.286 0.500 0.165 0.352     335.621     310.000       7.324   40 
-    710000      142000.00      39.140      -7.442      31.697   6.80 0.143 0.818 0.207 0.650     355.094     330.000       8.564   40 
-    720000      144000.00      38.281     -10.024      28.257   7.03 0.143 0.778 0.293 0.370     347.309     330.000       7.211   40 
-    730000      146000.00      39.167     -15.218      23.949   3.58 0.286 0.692 0.273 0.610     355.345     330.000       6.562   40 
-    740000      148000.00      39.155     -16.214      22.940   5.71 0.071 0.917 0.246 0.411     355.230     330.000       7.607   40 
-    750000      150000.00      32.194       5.202      37.396   6.76 0.071 0.800 0.345 0.234     292.078     330.000       9.976   40 
-    760000      152000.00      32.294      -6.738      25.556   6.14 0.143 0.800 0.350 0.939     292.991     330.000       7.558   40 
-    770000      154000.00      33.715      -5.331      28.384   6.81 0.214 0.700 0.259 0.476     305.882     330.000       7.929   40 
-    780000      156000.00      32.101       2.282      34.383   7.09 0.143 0.818 0.343 0.305     291.232     330.000       9.346   40 
-    790000      158000.00      36.107      -4.363      31.744   4.02 0.143 0.833 0.398 0.481     327.586     330.000       6.760   40 
-    800000      160000.00      39.051     -19.680      19.372   4.31 0.214 0.700 0.273 0.655     354.295     330.000       6.985   40 
-    810000      162000.00      31.573     -24.220       7.353   3.19 0.286 0.765 0.342 0.318     286.445     320.000       6.818   40 
-    820000      164000.00      23.537     -18.473       5.063   3.63 0.071 0.909 0.314 0.584     213.538     320.000       6.919   40 
-    830000      166000.00      34.982     -13.885      21.097   3.77 0.286 0.600 0.205 0.766     317.379     320.000       6.996   40 
-    840000      168000.00      29.005     -18.287      10.718   4.86 0.214 0.625 0.165 0.864     263.153     320.000       8.533   40 
-    850000      170000.00      32.060     -14.696      17.364   3.08 0.286 0.714 0.318 0.453     290.861     320.000       6.421   40 
-    860000      172000.00      35.545     -14.006      21.539   5.29 0.071 0.875 0.301 0.232     322.487     320.000       7.030   40 
-    870000      174000.00      44.731      -9.239      35.492   4.73 0.143 0.778 0.222 1.043     405.825     320.000       7.648   40 
-    880000      176000.00      31.745     -15.307      16.438   4.52 0.214 0.824 0.297 0.695     288.010     320.000       6.440   40 
-    890000      178000.00      33.938      -5.792      28.146   3.87 0.214 0.667 0.222 0.514     307.900     320.000       7.434   40 
-    900000      180000.00      35.551      -3.649      31.902   4.08 0.071 0.875 0.403 0.636     322.538     320.000       7.267   40 
-    910000      182000.00      43.789     -15.170      28.619   5.38 0.286 0.667 0.295 0.644     397.273     330.000       7.064   40 
-    920000      184000.00      33.158      -8.389      24.769   3.70 0.357 0.583 0.345 0.689     300.822     330.000       7.016   40 
-    930000      186000.00      35.687      -8.204      27.483   4.22 0.143 0.714 0.240 0.947     323.774     330.000       8.100   40 
-    940000      188000.00      26.987     -14.888      12.099   6.43 0.357 0.643 0.247 0.604     244.842     330.000       7.144   40 
-    950000      190000.00      28.258      -4.968      23.290   6.05 0.214 0.700 0.309 0.461     256.373     330.000       7.254   40 
-    960000      192000.00      31.573     -18.028      13.545   4.52 0.286 0.556 0.303 0.182     286.450     330.000       7.259   40 
-    970000      194000.00      34.707      -0.046      34.661   5.66 0.143 0.600 0.182 0.424     314.882     330.000       9.413   40 
-    980000      196000.00      37.543      -8.201      29.342   7.03 0.071 0.889 0.333 0.560     340.607     330.000       7.085   40 
-    990000      198000.00      33.308      -4.046      29.262   3.42 0.143 0.750 0.403 0.553     302.183     330.000       7.415   40 
-   1000000      200000.00      31.767     -11.774      19.993   6.16 0.214 0.400 0.155 0.629     288.203     330.000       9.192   40 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB041.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB041.stat
deleted file mode 100644
index af084b6..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB041.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      33.858     113.442     147.300  12.87 0.000   NaN   NaN 4.850     307.179     350.000      15.552   41 
-     10000        2000.00      35.931      11.007      46.938   5.64 0.071 0.000 0.182 1.096     325.986     350.000      10.492   41 
-     20000        4000.00      31.213       8.427      39.639   5.49 0.000 1.000 0.477 0.743     283.176     350.000       9.552   41 
-     30000        6000.00      35.277       9.294      44.571   7.15 0.071 0.667 0.242 0.335     320.051     350.000       9.891   41 
-     40000        8000.00      26.729       0.318      27.048   5.47 0.071 0.800 0.200 0.557     242.503     350.000       8.274   41 
-     50000       10000.00      29.321       3.665      32.986   7.03 0.000 1.000 0.341 0.434     266.016     350.000       7.941   41 
-     60000       12000.00      36.975      14.537      51.512   7.19 0.071 0.800 0.182 0.346     335.457     350.000      10.289   41 
-     70000       14000.00      34.763      14.482      49.245   6.22 0.000 1.000 0.600 0.629     315.387     350.000       7.752   41 
-     80000       16000.00      34.741      -1.739      33.002   5.65 0.143 0.333 0.242 0.410     315.188     350.000       9.768   41 
-     90000       18000.00      39.061       0.889      39.950   4.38 0.143 0.714 0.468 0.367     354.381     350.000       7.595   41 
-    100000       20000.00      38.012      -0.364      37.648   7.72 0.143 0.714 0.318 0.750     344.861     350.000       9.273   41 
-    110000       22000.00      33.708      -7.395      26.314   4.19 0.214 0.769 0.318 0.418     305.819     340.000       6.714   41 
-    120000       24000.00      35.480       1.166      36.646   5.45 0.143 0.600 0.173 1.069     321.891     340.000       8.420   41 
-    130000       26000.00      33.829      13.550      47.379   7.34 0.000 1.000 0.182 0.475     306.910     340.000       9.612   41 
-    140000       28000.00      34.936     -16.599      18.337   5.35 0.214 0.500 0.167 0.500     316.962     340.000       9.147   41 
-    150000       30000.00      23.799      -1.591      22.208   7.04 0.071 0.857 0.221 0.809     215.913     340.000       8.607   41 
-    160000       32000.00      36.888      -3.263      33.625   5.69 0.071 0.889 0.394 0.728     334.667     340.000       7.253   41 
-    170000       34000.00      29.299     -10.158      19.140   5.46 0.286 0.556 0.278 0.320     265.812     340.000       7.714   41 
-    180000       36000.00      34.657       4.195      38.851   4.96 0.071 0.875 0.301 0.627     314.422     340.000       8.265   41 
-    190000       38000.00      32.497      -6.167      26.330   4.34 0.214 0.700 0.255 0.443     294.829     340.000       7.281   41 
-    200000       40000.00      28.117      -0.658      27.459   3.10 0.214 0.667 0.379 0.382     255.095     340.000       7.314   41 
-    210000       42000.00      32.798       4.358      37.157   4.41 0.143 0.667 0.197 0.618     297.563     340.000       8.320   41 
-    220000       44000.00      38.246      11.247      49.493   5.56 0.000 1.000 0.167 0.830     346.988     340.000      10.576   41 
-    230000       46000.00      36.295     -12.655      23.640   5.66 0.071 0.909 0.326 0.776     329.290     340.000       7.799   41 
-    240000       48000.00      35.886     -12.554      23.332   4.21 0.143 0.800 0.314 0.412     325.578     340.000       7.050   41 
-    250000       50000.00      27.121      11.145      38.266   6.18 0.143 0.667 0.303 0.821     246.056     340.000       8.783   41 
-    260000       52000.00      39.349      10.573      49.922   5.66 0.214 0.400 0.182 0.564     356.997     340.000       8.982   41 
-    270000       54000.00      27.628      -9.497      18.131   7.41 0.214 0.250 0.170 0.438     250.652     340.000      10.165   41 
-    280000       56000.00      36.417      17.805      54.222   8.61 0.071 0.800 0.191 0.337     330.396     340.000      10.548   41 
-    290000       58000.00      36.370      -5.090      31.281   4.42 0.214 0.769 0.399 0.318     329.971     340.000       6.739   41 
-    300000       60000.00      48.451     -13.962      34.490   3.45 0.357 0.615 0.238 0.339     439.574     340.000       6.611   41 
-    310000       62000.00      41.140     -10.980      30.160   5.16 0.143 0.846 0.374 0.781     373.248     320.000       7.572   41 
-    320000       64000.00      37.888     -12.522      25.366   4.10 0.214 0.667 0.354 0.323     343.744     320.000       7.171   41 
-    330000       66000.00      27.934     -14.887      13.047   5.51 0.143 0.833 0.352 0.370     253.432     320.000       6.684   41 
-    340000       68000.00      35.547     -15.259      20.288   4.20 0.143 0.667 0.174 1.053     322.503     320.000       7.697   41 
-    350000       70000.00      31.423     -16.713      14.709   5.66 0.071 0.909 0.293 0.123     285.082     320.000       6.570   41 
-    360000       72000.00      30.792      -4.033      26.759   5.00 0.143 0.750 0.170 0.256     279.360     320.000       8.251   41 
-    370000       74000.00      37.138     -13.522      23.617   4.86 0.286 0.556 0.162 1.100     336.939     320.000       7.896   41 
-    380000       76000.00      31.171     -18.468      12.702   3.49 0.214 0.800 0.412 0.419     282.798     320.000       6.559   41 
-    390000       78000.00      32.188      -7.553      24.635   7.28 0.071 0.800 0.182 0.194     292.026     320.000      10.003   41 
-    400000       80000.00      34.639     -15.225      19.414   4.67 0.214 0.700 0.268 0.477     314.263     320.000       7.566   41 
-    410000       82000.00      40.132      -8.201      31.931   3.73 0.214 0.571 0.201 0.523     364.097     310.000       7.812   41 
-    420000       84000.00      41.835     -16.083      25.752   3.71 0.143 0.750 0.176 0.484     379.553     310.000       7.909   41 
-    430000       86000.00      27.469     -11.517      15.952   4.76 0.286 0.556 0.167 0.805     249.214     310.000       8.887   41 
-    440000       88000.00      33.430     -11.213      22.217   6.95 0.214 0.625 0.159 0.287     303.290     310.000      10.160   41 
-    450000       90000.00      35.229     -18.214      17.015   3.51 0.071 0.833 0.250 0.625     319.616     310.000       7.368   41 
-    460000       92000.00      38.341     -18.078      20.263   3.07 0.214 0.800 0.342 0.179     347.850     310.000       6.935   41 
-    470000       94000.00      17.977     -23.160      -5.182   3.69 0.286 0.600 0.155 0.254     163.100     310.000       8.112   41 
-    480000       96000.00      26.583     -15.263      11.320   5.77 0.214 0.750 0.189 0.462     241.177     310.000       7.976   41 
-    490000       98000.00      30.841     -19.825      11.016   5.07 0.214 0.750 0.261 0.249     279.807     310.000       7.019   41 
-    500000      100000.00      33.643     -24.725       8.918   3.42 0.357 0.615 0.217 0.221     305.229     310.000       7.127   41 
-    510000      102000.00      32.715     -25.965       6.749   2.91 0.357 0.615 0.280 0.629     296.804     300.000       6.858   41 
-    520000      104000.00      30.832     -22.457       8.375   6.00 0.143 0.800 0.255 0.863     279.722     300.000       7.128   41 
-    530000      106000.00      25.939     -19.028       6.911   3.46 0.357 0.500 0.327 0.923     235.332     300.000       7.539   41 
-    540000      108000.00      31.862     -30.667       1.195   4.99 0.286 0.556 0.177 0.366     289.071     300.000       8.322   41 
-    550000      110000.00      37.126     -17.065      20.061   3.26 0.214 0.625 0.176 0.628     336.822     300.000       8.027   41 
-    560000      112000.00      30.152     -16.114      14.038   3.01 0.357 0.615 0.311 0.726     273.555     300.000       6.644   41 
-    570000      114000.00      27.221      -8.355      18.866   4.22 0.214 0.700 0.223 1.161     246.964     300.000       7.650   41 
-    580000      116000.00      34.759     -17.334      17.425   3.21 0.214 0.667 0.278 0.334     315.349     300.000       7.367   41 
-    590000      118000.00      29.248     -21.925       7.323   3.84 0.286 0.636 0.182 0.502     265.357     300.000       7.684   41 
-    600000      120000.00      25.402     -22.620       2.782   3.04 0.214 0.571 0.156 0.662     230.463     300.000       7.617   41 
-    610000      122000.00      29.954     -23.203       6.751   6.96 0.214 0.667 0.157 0.266     271.755     290.000       8.923   41 
-    620000      124000.00      30.312     -34.496      -4.184   3.86 0.143 0.818 0.326 0.349     275.007     290.000       6.833   41 
-    630000      126000.00      30.242     -29.013       1.229   4.16 0.286 0.692 0.280 0.523     274.369     290.000       7.077   41 
-    640000      128000.00      33.571     -29.204       4.367   2.86 0.357 0.545 0.207 0.267     304.572     290.000       6.949   41 
-    650000      130000.00      35.243     -32.237       3.006   2.53 0.429 0.600 0.318 0.899     319.741     290.000       6.250   41 
-    660000      132000.00      25.641     -36.168     -10.528   2.34 0.429 0.538 0.290 0.633     232.626     290.000       6.684   41 
-    670000      134000.00      32.358     -31.377       0.982   3.50 0.357 0.583 0.205 0.476     293.572     290.000       7.045   41 
-    680000      136000.00      24.785     -36.804     -12.019   3.04 0.429 0.500 0.182 0.937     224.863     290.000       7.148   41 
-    690000      138000.00      35.572     -38.596      -3.024   3.17 0.286 0.765 0.361 0.499     322.727     290.000       6.397   41 
-    700000      140000.00      31.975     -28.887       3.088   3.13 0.357 0.615 0.269 0.320     290.092     290.000       7.138   41 
-    710000      142000.00      26.762     -39.788     -13.026   2.60 0.357 0.500 0.223 0.466     242.794     260.000       6.834   41 
-    720000      144000.00      22.610     -51.820     -29.210   2.67 0.357 0.583 0.269 0.375     205.132     260.000       6.489   41 
-    730000      146000.00      29.844     -55.616     -25.773   3.17 0.571 0.467 0.306 0.342     270.756     260.000       6.985   41 
-    740000      148000.00      30.612     -51.365     -20.753   2.29 0.429 0.571 0.224 0.294     277.726     260.000       6.767   41 
-    750000      150000.00      25.601     -46.080     -20.479   2.59 0.357 0.583 0.193 0.412     232.264     260.000       6.861   41 
-    760000      152000.00      24.016     -44.218     -20.202   3.01 0.143 0.846 0.357 0.369     217.885     260.000       6.598   41 
-    770000      154000.00      21.877     -40.889     -19.011   4.07 0.357 0.583 0.174 0.255     198.482     260.000       7.708   41 
-    780000      156000.00      23.053     -52.247     -29.194   3.10 0.286 0.750 0.276 0.457     209.151     260.000       6.286   41 
-    790000      158000.00      26.283     -51.401     -25.119   2.40 0.429 0.571 0.182 0.526     238.450     260.000       7.102   41 
-    800000      160000.00      22.648     -46.735     -24.087   3.25 0.429 0.500 0.186 0.461     205.471     260.000       7.428   41 
-    810000      162000.00      30.690     -45.324     -14.634   2.62 0.357 0.688 0.176 0.425     278.438     260.000       7.189   41 
-    820000      164000.00      25.789     -50.121     -24.332   3.13 0.357 0.500 0.168 0.386     233.974     260.000       7.329   41 
-    830000      166000.00      28.702     -49.752     -21.050   3.41 0.429 0.600 0.167 0.181     260.395     260.000       7.542   41 
-    840000      168000.00      28.915     -43.856     -14.941   3.63 0.286 0.765 0.241 0.513     262.330     260.000       6.850   41 
-    850000      170000.00      28.472     -49.002     -20.529   2.75 0.500 0.462 0.182 0.208     258.315     260.000       6.891   41 
-    860000      172000.00      25.726     -52.470     -26.744   2.77 0.429 0.600 0.230 0.733     233.403     260.000       6.880   41 
-    870000      174000.00      20.746     -48.427     -27.681   2.88 0.429 0.500 0.223 0.578     188.216     260.000       6.952   41 
-    880000      176000.00      26.910     -51.413     -24.503   2.85 0.500 0.364 0.248 1.040     244.139     260.000       6.565   41 
-    890000      178000.00      24.652     -44.634     -19.982   2.97 0.286 0.556 0.192 0.529     223.658     260.000       7.074   41 
-    900000      180000.00      26.499     -54.200     -27.702   2.98 0.500 0.611 0.384 0.592     240.409     260.000       6.661   41 
-    910000      182000.00      27.239     -53.549     -26.310   3.08 0.357 0.615 0.206 0.382     247.122     250.000       6.625   41 
-    920000      184000.00      21.061     -55.929     -34.868   2.84 0.357 0.667 0.273 0.336     191.079     250.000       6.407   41 
-    930000      186000.00      20.278     -48.071     -27.794   2.83 0.357 0.706 0.348 0.490     183.970     250.000       6.251   41 
-    940000      188000.00      20.253     -57.230     -36.977   2.98 0.214 0.812 0.293 0.412     183.742     250.000       6.047   41 
-    950000      190000.00      24.058     -51.753     -27.694   2.76 0.357 0.615 0.318 0.544     218.271     250.000       6.572   41 
-    960000      192000.00      22.364     -53.628     -31.264   2.61 0.357 0.722 0.328 0.909     202.894     250.000       6.475   41 
-    970000      194000.00      29.405     -43.810     -14.404   2.37 0.643 0.438 0.270 0.473     266.781     250.000       6.551   41 
-    980000      196000.00      25.398     -50.073     -24.675   2.88 0.357 0.545 0.190 0.918     230.420     250.000       6.848   41 
-    990000      198000.00      25.571     -61.793     -36.222   2.83 0.357 0.667 0.285 0.233     231.993     250.000       6.464   41 
-   1000000      200000.00      28.232     -52.946     -24.715   2.94 0.357 0.643 0.198 0.283     256.135     250.000       7.218   41 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB042.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB042.stat
deleted file mode 100644
index 58559bd..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB042.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      34.376     113.442     147.818  12.87 0.000   NaN   NaN 4.850     311.878     350.000      15.552   42 
-     10000        2000.00      34.507      -4.949      29.558   4.63 0.143 0.778 0.343 0.432     313.067     350.000       7.127   42 
-     20000        4000.00      30.072      -1.148      28.924   5.44 0.143 0.667 0.439 0.584     272.833     350.000       7.210   42 
-     30000        6000.00      30.621       2.269      32.890   4.63 0.143 0.750 0.330 0.789     277.813     350.000       8.125   42 
-     40000        8000.00      31.408      -1.565      29.843   3.69 0.071 0.833 0.273 0.752     284.953     350.000       7.358   42 
-     50000       10000.00      28.534      -0.695      27.839   5.92 0.143 0.750 0.216 1.112     258.879     350.000       8.154   42 
-     60000       12000.00      36.530       1.516      38.046   5.29 0.000 1.000 0.318 0.540     331.415     350.000       7.773   42 
-     70000       14000.00      37.581      10.428      48.010   6.94 0.071 0.900 0.364 0.214     340.959     350.000       6.736   42 
-     80000       16000.00      42.385      -5.412      36.973   6.75 0.071 0.900 0.309 0.263     384.541     350.000       9.046   42 
-     90000       18000.00      30.341       2.548      32.890   4.99 0.000 1.000 0.364 0.655     275.273     350.000       7.886   42 
-    100000       20000.00      41.778       2.939      44.717   8.86 0.071 0.667 0.167 1.247     379.033     350.000      10.606   42 
-    110000       22000.00      35.222      -0.140      35.082   5.00 0.071 0.875 0.364 0.309     319.549     350.000       7.518   42 
-    120000       24000.00      33.254       5.164      38.417   4.08 0.071 0.875 0.415 0.628     301.693     350.000       7.242   42 
-    130000       26000.00      36.975       6.126      43.101   5.51 0.143 0.714 0.422 0.567     335.452     350.000       6.880   42 
-    140000       28000.00      31.991       6.808      38.799   5.99 0.000 1.000 0.318 0.459     290.241     350.000       9.464   42 
-    150000       30000.00      44.959       4.021      48.980   5.90 0.071 0.667 0.212 0.925     407.890     350.000       8.026   42 
-    160000       32000.00      29.136      -1.920      27.216   6.28 0.143 0.714 0.162 0.795     264.337     350.000       9.248   42 
-    170000       34000.00      38.105       0.175      38.280   4.91 0.071 0.667 0.258 0.163     345.705     350.000       8.209   42 
-    180000       36000.00      32.007      -0.476      31.531   3.04 0.214 0.667 0.328 1.365     290.388     350.000       7.575   42 
-    190000       38000.00      43.997      -0.417      43.580   5.30 0.071 0.800 0.173 1.641     399.168     350.000       9.832   42 
-    200000       40000.00      39.335       0.531      39.865   6.78 0.143 0.714 0.227 0.324     356.865     350.000       8.884   42 
-    210000       42000.00      36.346       3.770      40.116   8.26 0.071 0.667 0.152 0.534     329.746     360.000      12.063   42 
-    220000       44000.00      36.482      14.236      50.718   6.82 0.071 0.500 0.205 0.321     330.981     360.000      10.677   42 
-    230000       46000.00      34.728       6.039      40.768   6.44 0.143 0.778 0.212 0.596     315.075     360.000       8.370   42 
-    240000       48000.00      36.723       2.071      38.794   6.64 0.214 0.571 0.201 0.718     333.167     360.000      10.162   42 
-    250000       50000.00      36.098      -5.043      31.055   6.51 0.000 1.000 0.374 0.386     327.497     360.000       6.886   42 
-    260000       52000.00      34.620       3.917      38.537   5.65 0.000 1.000 0.318 0.614     314.088     360.000       7.283   42 
-    270000       54000.00      37.436      -8.281      29.155   3.96 0.071 0.800 0.191 0.500     339.638     360.000       8.610   42 
-    280000       56000.00      43.057       1.828      44.885   7.17 0.000 1.000 0.209 1.508     390.639     360.000       8.832   42 
-    290000       58000.00      51.454      12.691      64.145   4.65 0.000 1.000 0.170 0.229     466.817     360.000       8.775   42 
-    300000       60000.00      34.889       2.936      37.825   6.28 0.071 0.800 0.455 1.051     316.531     360.000       7.528   42 
-    310000       62000.00      32.083      10.869      42.952   6.55 0.143 0.714 0.299 0.689     291.070     390.000       7.537   42 
-    320000       64000.00      40.259       7.563      47.823   4.90 0.000 1.000 0.182 0.603     365.254     390.000      10.018   42 
-    330000       66000.00      47.104      12.245      59.349   5.42 0.071 0.800 0.182 0.598     427.352     390.000       8.013   42 
-    340000       68000.00      47.061       8.835      55.896   5.44 0.000 1.000 0.291 0.375     426.959     390.000       7.703   42 
-    350000       70000.00      39.642       2.885      42.528   4.65 0.214 0.571 0.403 0.820     359.654     390.000       8.669   42 
-    360000       72000.00      35.718       8.711      44.429   5.49 0.000 1.000 0.136 0.561     324.048     390.000       8.220   42 
-    370000       74000.00      36.073      -0.127      35.947   5.00 0.000   NaN   NaN 0.349     327.275     390.000       8.903   42 
-    380000       76000.00      60.299       0.316      60.615   6.07 0.071 0.833 0.348 0.976     547.064     390.000       7.762   42 
-    390000       78000.00      33.000       0.333      33.333   7.47 0.071 0.750 0.307 0.641     299.389     390.000      10.924   42 
-    400000       80000.00      38.829       5.397      44.226   6.48 0.000 1.000 0.327 0.433     352.278     390.000       8.650   42 
-    410000       82000.00      36.599       8.032      44.630   7.57 0.143 0.500 0.159 0.801     332.042     380.000       9.022   42 
-    420000       84000.00      41.404      19.225      60.628   5.45 0.000 1.000 0.443 0.656     375.638     380.000       8.096   42 
-    430000       86000.00      43.384      13.477      56.861   6.52 0.000   NaN   NaN 0.314     393.600     380.000      10.307   42 
-    440000       88000.00      39.133      18.568      57.701   7.84 0.071 0.000 0.136 0.306     355.034     380.000      11.891   42 
-    450000       90000.00      40.827       6.221      47.048   5.17 0.071 0.857 0.351 0.612     370.403     380.000       7.046   42 
-    460000       92000.00      45.310       8.836      54.146   5.64 0.071 0.750 0.170 0.774     411.076     380.000       8.361   42 
-    470000       94000.00      39.244       3.627      42.871   7.11 0.000 1.000 0.136 0.523     356.040     380.000      11.451   42 
-    480000       96000.00      42.462       8.383      50.845   6.18 0.000 1.000 0.318 1.234     385.236     380.000       9.325   42 
-    490000       98000.00      34.311       3.595      37.906   7.50 0.000 1.000 0.227 0.551     311.283     380.000      10.607   42 
-    500000      100000.00      38.535       9.747      48.282   5.42 0.071 0.500 0.318 0.531     349.609     380.000       8.762   42 
-    510000      102000.00      30.220       0.679      30.899   6.76 0.143 0.600 0.200 0.641     274.174     370.000       8.057   42 
-    520000      104000.00      29.588       4.838      34.425   7.69 0.071 0.833 0.341 0.313     268.437     370.000       7.670   42 
-    530000      106000.00      29.362      14.942      44.304   5.73 0.071 0.750 0.284 0.801     266.385     370.000       8.683   42 
-    540000      108000.00      45.841       8.086      53.926   5.75 0.071 0.800 0.400 0.637     415.889     370.000       7.852   42 
-    550000      110000.00      35.914      12.775      48.689   4.64 0.071 0.667 0.212 0.454     325.830     370.000       7.914   42 
-    560000      112000.00      38.499       2.336      40.836   7.27 0.071 0.750 0.227 0.365     349.286     370.000       7.239   42 
-    570000      114000.00      42.186      -2.522      39.664   8.27 0.143 0.500 0.182 0.883     382.730     370.000      10.079   42 
-    580000      116000.00      53.170       9.515      62.685   5.32 0.071 0.500 0.523 0.555     482.387     370.000       9.508   42 
-    590000      118000.00      40.048      -7.613      32.435   3.34 0.286 0.692 0.378 0.502     363.339     370.000       7.398   42 
-    600000      120000.00      52.708      12.559      65.268   6.05 0.000 1.000 0.250 0.761     478.196     370.000       8.372   42 
-    610000      122000.00      34.929       9.255      44.184   5.96 0.214 0.700 0.455 0.239     316.896     360.000       6.578   42 
-    620000      124000.00      32.799       1.575      34.374   4.53 0.071 0.500 0.182 0.472     297.571     360.000       8.368   42 
-    630000      126000.00      37.070      -2.436      34.634   4.99 0.143 0.600 0.200 0.778     336.316     360.000       8.353   42 
-    640000      128000.00      39.475       7.823      47.298   6.23 0.071 0.500 0.205 0.661     358.138     360.000       7.531   42 
-    650000      130000.00      33.190       4.201      37.390   5.42 0.143 0.800 0.286 0.715     301.112     360.000       6.952   42 
-    660000      132000.00      31.110       3.454      34.565   6.10 0.000 1.000 0.318 0.614     282.249     360.000       9.440   42 
-    670000      134000.00      33.648      10.248      43.896   5.39 0.071 0.800 0.191 1.054     305.273     360.000       8.490   42 
-    680000      136000.00      37.389      10.807      48.196   9.19 0.000 1.000 0.279 0.583     339.216     360.000      11.150   42 
-    690000      138000.00      44.489      17.977      62.466   7.84 0.071 0.000 0.136 0.511     403.629     360.000      11.050   42 
-    700000      140000.00      31.766      -0.630      31.136   5.13 0.000 1.000 0.273 0.500     288.199     360.000       9.196   42 
-    710000      142000.00      31.519      -6.118      25.401   6.42 0.000 1.000 0.491 0.459     285.958     350.000       6.666   42 
-    720000      144000.00      30.179       4.842      35.021   6.29 0.000 1.000 0.273 0.716     273.797     350.000       7.501   42 
-    730000      146000.00      40.335      -0.310      40.025   7.19 0.143 0.818 0.264 0.734     365.943     350.000       7.396   42 
-    740000      148000.00      29.293       0.049      29.343   4.64 0.143 0.750 0.312 0.182     265.765     350.000       7.486   42 
-    750000      150000.00      38.095       2.105      40.200   6.52 0.143 0.500 0.193 0.706     345.618     350.000       9.576   42 
-    760000      152000.00      44.260      -4.092      40.167   4.73 0.214 0.769 0.266 1.160     401.545     350.000       6.682   42 
-    770000      154000.00      45.274       2.707      47.981   5.16 0.143 0.714 0.182 0.690     410.745     350.000       7.736   42 
-    780000      156000.00      35.506      -9.300      26.206   5.98 0.000 1.000 0.475 0.679     322.125     350.000       7.065   42 
-    790000      158000.00      43.874       3.739      47.614   3.80 0.286 0.500 0.278 0.835     398.050     350.000       7.424   42 
-    800000      160000.00      42.084      -1.394      40.690   6.28 0.000 1.000 0.351 1.021     381.808     350.000       7.195   42 
-    810000      162000.00      38.946       3.115      42.061   5.28 0.143 0.778 0.273 0.353     353.338     350.000       7.544   42 
-    820000      164000.00      37.924       4.347      42.270   4.67 0.286 0.667 0.436 0.648     344.064     350.000       7.354   42 
-    830000      166000.00      41.756       7.029      48.785   4.62 0.143 0.750 0.420 0.192     378.830     350.000       7.057   42 
-    840000      168000.00      37.727       4.429      42.156   8.86 0.071 0.667 0.152 0.455     342.283     350.000      11.135   42 
-    850000      170000.00      32.219      -3.386      28.833   7.01 0.071 0.000 0.182 0.283     292.305     350.000       9.867   42 
-    860000      172000.00      32.347      12.516      44.863   7.37 0.214 0.250 0.159 0.628     293.471     350.000       9.328   42 
-    870000      174000.00      34.555       6.635      41.189   6.27 0.000 1.000 0.330 0.642     313.497     350.000       8.386   42 
-    880000      176000.00      36.388      -0.338      36.050   5.12 0.143 0.667 0.182 0.539     330.131     350.000       8.204   42 
-    890000      178000.00      35.751      -4.418      31.332   6.82 0.143 0.600 0.300 0.702     324.347     350.000       7.919   42 
-    900000      180000.00      31.840      -0.354      31.485   4.75 0.071 0.800 0.309 0.615     288.865     350.000       7.956   42 
-    910000      182000.00      38.433       5.082      43.515   6.10 0.143 0.818 0.331 0.764     348.687     350.000       7.313   42 
-    920000      184000.00      38.287       3.054      41.341   7.05 0.071 0.889 0.258 0.560     347.357     350.000       7.420   42 
-    930000      186000.00      40.928       7.606      48.534   8.40 0.000   NaN   NaN 0.455     371.321     350.000      12.793   42 
-    940000      188000.00      37.058       2.902      39.960   5.11 0.214 0.786 0.354 0.624     336.208     350.000       8.421   42 
-    950000      190000.00      34.092       8.743      42.835   4.65 0.143 0.778 0.359 0.329     309.297     350.000       7.928   42 
-    960000      192000.00      32.099       9.433      41.532   8.49 0.071 0.500 0.182 0.486     291.219     350.000      11.376   42 
-    970000      194000.00      36.453      10.710      47.163   4.05 0.000 1.000 0.455 0.710     330.723     350.000       7.858   42 
-    980000      196000.00      27.370      -5.406      21.964   5.39 0.214 0.750 0.246 0.463     248.311     350.000       7.021   42 
-    990000      198000.00      34.716       8.151      42.867  10.82 0.000 1.000 0.136 0.395     314.963     350.000      13.810   42 
-   1000000      200000.00      35.643      -5.019      30.624   4.95 0.143 0.800 0.255 0.368     323.372     350.000       7.719   42 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB043.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB043.stat
deleted file mode 100644
index 231fcfb..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB043.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      39.570     113.442     153.011  12.87 0.000   NaN   NaN 4.850     358.996     350.000      15.552   43 
-     10000        2000.00      22.284       5.448      27.732   6.01 0.143 0.800 0.373 0.478     202.171     350.000       6.907   43 
-     20000        4000.00      38.776       9.024      47.801   7.67 0.214 0.500 0.189 1.073     351.798     350.000       8.543   43 
-     30000        6000.00      37.481      -1.748      35.733   3.89 0.000 1.000 0.311 0.809     340.051     350.000       8.317   43 
-     40000        8000.00      29.420      -9.156      20.264   4.97 0.071 0.900 0.318 1.098     266.916     350.000       6.895   43 
-     50000       10000.00      41.727      -2.013      39.713   5.57 0.000 1.000 0.216 0.137     378.567     350.000       7.962   43 
-     60000       12000.00      35.487       7.121      42.607   4.98 0.357 0.545 0.248 0.390     321.954     350.000       7.942   43 
-     70000       14000.00      40.135       1.569      41.704   5.47 0.000 1.000 0.303 0.495     364.126     350.000       8.653   43 
-     80000       16000.00      46.384       6.541      52.925   6.53 0.214 0.625 0.170 0.333     420.822     350.000       9.526   43 
-     90000       18000.00      28.115       1.851      29.966   7.00 0.143 0.833 0.333 0.410     255.074     350.000       7.407   43 
-    100000       20000.00      30.773       7.745      38.518   5.23 0.214 0.700 0.391 1.180     279.190     350.000       7.311   43 
-    110000       22000.00      43.769      13.151      56.920   9.55 0.143 0.000 0.159 0.405     397.094     370.000      11.910   43 
-    120000       24000.00      37.919       8.019      45.938   4.82 0.071 0.800 0.273 0.564     344.022     370.000       8.607   43 
-    130000       26000.00      38.784      16.636      55.420  11.51 0.071 0.500 0.182 0.650     351.871     370.000      14.079   43 
-    140000       28000.00      43.702       2.768      46.469   5.40 0.071 0.800 0.318 0.958     396.484     370.000       8.087   43 
-    150000       30000.00      36.290      12.068      48.358   5.69 0.000 1.000 0.227 0.533     329.245     370.000       8.497   43 
-    160000       32000.00      36.650      10.426      47.076  11.93 0.071 0.000 0.136 0.237     332.509     370.000      15.263   43 
-    170000       34000.00      39.369      11.853      51.221   5.34 0.143 0.600 0.218 0.263     357.172     370.000       8.269   43 
-    180000       36000.00      40.987      14.331      55.318   6.60 0.000 1.000 0.182 0.880     371.852     370.000      10.112   43 
-    190000       38000.00      32.929       4.697      37.626   4.56 0.071 0.667 0.379 0.948     298.753     370.000       8.999   43 
-    200000       40000.00      31.551       5.596      37.147   5.32 0.214 0.400 0.282 0.535     286.244     370.000       8.511   43 
-    210000       42000.00      38.063       0.887      38.949   3.82 0.143 0.800 0.200 0.390     345.323     360.000       8.355   43 
-    220000       44000.00      42.759       6.104      48.863   6.57 0.071 0.875 0.273 0.585     387.934     360.000       8.336   43 
-    230000       46000.00      26.301       8.007      34.308   6.74 0.071 0.500 0.364 0.647     238.614     360.000       9.318   43 
-    240000       48000.00      36.240      -1.383      34.857   7.46 0.071 0.500 0.159 0.821     328.791     360.000       9.476   43 
-    250000       50000.00      43.099      11.948      55.047   8.18 0.143 0.600 0.164 0.801     391.018     360.000      11.225   43 
-    260000       52000.00      39.829       8.913      48.742   4.09 0.214 0.400 0.427 1.000     361.349     360.000       8.413   43 
-    270000       54000.00      31.589      -4.643      26.946   4.25 0.357 0.500 0.418 0.750     286.595     360.000       6.869   43 
-    280000       56000.00      36.156      13.889      50.046   6.16 0.071 0.857 0.513 0.830     328.028     360.000       7.343   43 
-    290000       58000.00      37.617       4.443      42.060   4.76 0.071 0.750 0.170 0.717     341.278     360.000       8.583   43 
-    300000       60000.00      33.890       0.330      34.220   4.31 0.286 0.500 0.273 0.364     307.465     360.000       7.442   43 
-    310000       62000.00      40.527      17.741      58.268   7.25 0.143 0.600 0.236 0.479     367.685     360.000       9.586   43 
-    320000       64000.00      40.702      -0.759      39.944   6.41 0.143 0.667 0.265 0.797     369.272     360.000       7.887   43 
-    330000       66000.00      36.624      10.603      47.227   5.86 0.071 0.800 0.373 0.848     332.275     360.000       8.181   43 
-    340000       68000.00      36.870       5.534      42.404   6.33 0.143 0.714 0.305 0.648     334.504     360.000       9.093   43 
-    350000       70000.00      40.472      -4.462      36.010   5.09 0.214 0.700 0.395 0.375     367.180     360.000       7.235   43 
-    360000       72000.00      33.726      17.676      51.402   9.66 0.071 0.000 0.136 0.837     305.979     360.000      12.684   43 
-    370000       74000.00      36.402       7.305      43.706   6.95 0.000 1.000 0.227 0.281     330.256     360.000       8.552   43 
-    380000       76000.00      33.579      10.281      43.860   9.46 0.143 0.500 0.170 0.201     304.649     360.000      11.332   43 
-    390000       78000.00      41.028       2.881      43.908   4.90 0.214 0.727 0.442 0.596     372.225     360.000       8.609   43 
-    400000       80000.00      37.233      12.823      50.057   5.33 0.000 1.000 0.273 0.401     337.801     360.000       9.664   43 
-    410000       82000.00      42.265      11.769      54.034   6.40 0.071 0.500 0.136 0.594     383.453     380.000      11.063   43 
-    420000       84000.00      34.973       2.853      37.826   8.94 0.000   NaN   NaN 0.223     317.289     380.000      11.920   43 
-    430000       86000.00      36.376      23.398      59.775   9.66 0.071 0.000 0.136 0.581     330.025     380.000      13.474   43 
-    440000       88000.00      41.654       9.167      50.821   5.77 0.071 0.667 0.212 0.210     377.908     380.000       9.151   43 
-    450000       90000.00      43.084       2.902      45.986   4.07 0.071 0.857 0.201 0.897     390.883     380.000       8.077   43 
-    460000       92000.00      35.694       4.336      40.030   5.60 0.071 0.800 0.300 0.570     323.838     380.000       8.391   43 
-    470000       94000.00      58.383       4.575      62.958   5.87 0.071 0.875 0.403 0.655     529.680     380.000       7.451   43 
-    480000       96000.00      49.234      11.862      61.096   6.27 0.071 0.667 0.136 0.572     446.673     380.000      10.355   43 
-    490000       98000.00      39.020      10.636      49.657   7.35 0.000 1.000 0.159 0.253     354.014     380.000      10.899   43 
-    500000      100000.00      40.645       5.997      46.642   4.96 0.071 0.667 0.152 1.165     368.753     380.000       8.554   43 
-    510000      102000.00      35.853       5.086      40.939   4.42 0.071 0.500 0.250 0.304     325.273     350.000       8.179   43 
-    520000      104000.00      38.744       6.112      44.857   9.32 0.000 1.000 0.136 0.795     351.510     350.000      12.421   43 
-    530000      106000.00      32.432       2.640      35.072   4.96 0.143 0.714 0.195 0.233     294.244     350.000       8.650   43 
-    540000      108000.00      47.320       1.717      49.037   5.91 0.000 1.000 0.136 0.382     429.308     350.000      10.534   43 
-    550000      110000.00      32.592      -0.743      31.849   4.41 0.143 0.667 0.432 0.221     295.696     350.000       8.174   43 
-    560000      112000.00      44.792       5.697      50.489   5.85 0.000 1.000 0.170 0.334     406.377     350.000       9.394   43 
-    570000      114000.00      29.181      -4.725      24.456   5.44 0.214 0.667 0.293 0.929     264.747     350.000       7.328   43 
-    580000      116000.00      27.601       2.591      30.192   6.05 0.000 1.000 0.295 0.317     250.415     350.000       9.618   43 
-    590000      118000.00      38.284       5.672      43.956   3.88 0.214 0.250 0.159 0.262     347.333     350.000       8.172   43 
-    600000      120000.00      36.135      11.385      47.521   5.75 0.143 0.667 0.545 0.268     327.837     350.000       8.173   43 
-    610000      122000.00      55.368       9.173      64.541   5.13 0.000 1.000 0.273 0.991     502.326     400.000       9.472   43 
-    620000      124000.00      34.034      11.284      45.318   8.06 0.143 0.500 0.148 0.648     308.777     400.000      11.824   43 
-    630000      126000.00      42.929      18.767      61.696   8.29 0.000   NaN   NaN 0.237     389.473     400.000      11.910   43 
-    640000      128000.00      42.791       6.947      49.738   9.75 0.071 0.667 0.152 0.573     388.225     400.000      11.868   43 
-    650000      130000.00      38.181      16.067      54.248   5.78 0.071 0.667 0.318 0.681     346.401     400.000       8.802   43 
-    660000      132000.00      35.218      15.115      50.334   6.93 0.000 1.000 0.409 0.557     319.519     400.000       9.063   43 
-    670000      134000.00      44.479      16.304      60.783  10.55 0.000   NaN   NaN 0.354     403.537     400.000      13.379   43 
-    680000      136000.00      48.532       7.780      56.313   9.33 0.071 0.750 0.307 0.803     440.311     400.000      11.732   43 
-    690000      138000.00      41.889      20.922      62.811   5.94 0.000 1.000 0.136 0.340     380.039     400.000       9.716   43 
-    700000      140000.00      45.810      12.629      58.439   6.55 0.071 0.667 0.242 0.718     415.609     400.000       9.341   43 
-    710000      142000.00      43.159      11.258      54.417   7.86 0.000 1.000 0.227 0.651     391.561     400.000      11.084   43 
-    720000      144000.00      38.575       3.015      41.589   5.49 0.000 1.000 0.227 0.329     349.968     400.000       9.034   43 
-    730000      146000.00      47.725      12.607      60.332   6.63 0.071 0.750 0.261 1.061     432.987     400.000       9.900   43 
-    740000      148000.00      48.563       5.868      54.431   7.82 0.071 0.000 0.136 0.289     440.590     400.000      10.374   43 
-    750000      150000.00      39.799       3.030      42.829   4.82 0.071 0.833 0.417 1.116     361.079     400.000       7.388   43 
-    760000      152000.00      37.363       7.105      44.468   5.58 0.000 1.000 0.386 0.610     338.973     400.000       8.290   43 
-    770000      154000.00      47.624      18.332      65.956   8.76 0.071 0.000 0.136 0.825     432.071     400.000      12.461   43 
-    780000      156000.00      42.531      12.400      54.931  12.75 0.000 1.000 0.212 0.654     385.866     400.000      15.374   43 
-    790000      158000.00      50.832      19.094      69.926   6.78 0.000 1.000 0.409 1.008     461.170     400.000      10.430   43 
-    800000      160000.00      45.397      21.172      66.569   6.30 0.000 1.000 0.318 0.843     411.863     400.000       8.863   43 
-    810000      162000.00      45.142      14.279      59.421   5.51 0.071 0.750 0.193 0.392     409.551     400.000       9.421   43 
-    820000      164000.00      42.737      15.077      57.813   8.28 0.071 0.500 0.205 0.318     387.731     400.000      11.154   43 
-    830000      166000.00      45.121      12.351      57.472   9.37 0.143 0.333 0.152 0.433     409.365     400.000      12.309   43 
-    840000      168000.00      34.079      11.045      45.124   5.71 0.071 0.750 0.170 0.574     309.184     400.000       9.642   43 
-    850000      170000.00      37.368       8.443      45.811   9.29 0.071 0.500 0.136 0.491     339.026     400.000      12.800   43 
-    860000      172000.00      40.226      14.607      54.833   3.17 0.214 0.571 0.435 0.265     364.954     400.000       7.505   43 
-    870000      174000.00      43.574      22.440      66.013   5.94 0.071 0.750 0.227 0.664     395.324     400.000       9.608   43 
-    880000      176000.00      43.792       5.586      49.378   8.19 0.071 0.750 0.239 0.758     397.305     400.000       9.892   43 
-    890000      178000.00      40.307      16.822      57.129   5.42 0.143 0.714 0.292 1.162     365.682     400.000       8.007   43 
-    900000      180000.00      41.771      -6.233      35.538   6.50 0.071 0.875 0.312 0.849     378.970     400.000       7.533   43 
-    910000      182000.00      36.785       1.538      38.323   5.05 0.071 0.875 0.386 0.290     333.734     380.000       7.135   43 
-    920000      184000.00      35.810      11.326      47.137   5.98 0.000 1.000 0.439 0.457     324.891     380.000       7.910   43 
-    930000      186000.00      31.325      17.414      48.739   8.91 0.071 0.500 0.182 1.099     284.200     380.000      11.576   43 
-    940000      188000.00      47.842      18.546      66.388   6.13 0.071 0.833 0.250 1.396     434.048     380.000       8.328   43 
-    950000      190000.00      49.847       8.968      58.814   5.82 0.071 0.889 0.333 0.902     452.236     380.000       7.605   43 
-    960000      192000.00      39.337      15.903      55.239   7.48 0.143 0.600 0.145 1.003     356.882     380.000      11.400   43 
-    970000      194000.00      25.756       6.826      32.582   5.55 0.071 0.750 0.216 1.208     233.672     380.000       8.615   43 
-    980000      196000.00      45.471      11.423      56.894   9.75 0.000 1.000 0.227 1.297     412.533     380.000      12.702   43 
-    990000      198000.00      54.254      -1.603      52.652   5.52 0.143 0.778 0.394 1.029     492.222     380.000       7.548   43 
-   1000000      200000.00      32.059      10.031      42.090   5.01 0.143 0.714 0.383 0.649     290.855     380.000       7.796   43 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB044.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB044.stat
deleted file mode 100644
index 79e44d7..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB044.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      29.889     113.174     143.064  12.87 0.000   NaN   NaN 4.850     271.171     360.000      15.552   44 
-     10000        2000.00      31.097      12.066      43.163   4.97 0.286 0.500 0.347 0.390     282.127     360.000       7.901   44 
-     20000        4000.00      40.739       7.321      48.060   7.28 0.000 1.000 0.290 0.602     369.603     360.000       7.869   44 
-     30000        6000.00      39.568       7.474      47.042   5.44 0.071 0.667 0.697 0.326     358.985     360.000       7.909   44 
-     40000        8000.00      41.203       7.494      48.697   8.12 0.071 0.833 0.258 0.704     373.816     360.000       9.455   44 
-     50000       10000.00      32.493       1.835      34.328   4.95 0.000 1.000 0.318 0.426     294.791     360.000       7.684   44 
-     60000       12000.00      43.043       6.709      49.752   5.37 0.214 0.727 0.248 0.373     390.507     360.000       7.398   44 
-     70000       14000.00      34.158       7.884      42.041   5.12 0.071 0.875 0.415 0.338     309.895     360.000       7.788   44 
-     80000       16000.00      39.921      10.867      50.788   4.84 0.071 0.800 0.264 0.540     362.184     360.000       7.983   44 
-     90000       18000.00      39.029       8.628      47.657   6.73 0.143 0.500 0.170 0.619     354.093     360.000       8.352   44 
-    100000       20000.00      33.325       8.177      41.501   3.65 0.214 0.500 0.182 0.662     302.339     360.000       8.006   44 
-    110000       22000.00      38.224       8.647      46.871   7.48 0.071 0.750 0.193 0.510     346.789     360.000       9.907   44 
-    120000       24000.00      30.266      15.055      45.321   7.56 0.071 0.500 0.159 0.501     274.589     360.000      11.137   44 
-    130000       26000.00      36.487       2.222      38.709   4.48 0.143 0.778 0.318 0.548     331.028     360.000       7.434   44 
-    140000       28000.00      40.866       4.563      45.429   4.86 0.000 1.000 0.284 0.478     370.757     360.000       8.136   44 
-    150000       30000.00      42.599      17.415      60.015   5.47 0.071 0.000 0.136 0.501     386.481     360.000       9.365   44 
-    160000       32000.00      28.625      16.832      45.457   7.68 0.071 0.667 0.288 0.377     259.699     360.000       9.816   44 
-    170000       34000.00      44.368       5.910      50.278   5.88 0.071 0.667 0.258 0.312     402.530     360.000       8.790   44 
-    180000       36000.00      40.892      15.192      56.084   8.41 0.071 0.000 0.136 0.578     370.993     360.000      12.859   44 
-    190000       38000.00      39.407       3.965      43.372   7.96 0.071 0.800 0.200 0.615     357.525     360.000      10.154   44 
-    200000       40000.00      33.261       9.467      42.728   7.18 0.071 0.667 0.182 0.494     301.761     360.000      10.947   44 
-    210000       42000.00      33.236       6.681      39.917   5.00 0.071 0.875 0.216 0.161     301.537     360.000       8.205   44 
-    220000       44000.00      40.551       7.668      48.219   5.28 0.143 0.667 0.295 0.653     367.897     360.000       7.652   44 
-    230000       46000.00      35.101       6.592      41.693   6.23 0.071 0.800 0.155 1.025     318.459     360.000       9.694   44 
-    240000       48000.00      32.470      12.179      44.650   8.85 0.071 0.750 0.170 0.859     294.589     360.000      10.754   44 
-    250000       50000.00      43.152       8.057      51.209   9.48 0.000 1.000 0.159 0.578     391.497     360.000      12.287   44 
-    260000       52000.00      41.424      -6.868      34.556   6.30 0.143 0.750 0.199 0.462     375.824     360.000       7.972   44 
-    270000       54000.00      39.569      -0.181      39.388   5.29 0.214 0.769 0.371 0.414     358.990     360.000       6.819   44 
-    280000       56000.00      33.420      -4.626      28.794   4.31 0.071 0.900 0.318 0.241     303.200     360.000       6.897   44 
-    290000       58000.00      40.737       5.323      46.060   6.42 0.071 0.500 0.205 0.453     369.585     360.000       8.754   44 
-    300000       60000.00      35.008       5.080      40.088   9.17 0.143 0.333 0.152 0.244     317.610     360.000      12.121   44 
-    310000       62000.00      36.982       9.540      46.523   6.24 0.071 0.667 0.227 0.328     335.523     390.000       9.437   44 
-    320000       64000.00      42.425       7.726      50.151   8.84 0.000 1.000 0.182 0.451     384.901     390.000      11.478   44 
-    330000       66000.00      41.997       9.441      51.438   6.01 0.000 1.000 0.424 0.409     381.018     390.000       7.581   44 
-    340000       68000.00      38.996      15.649      54.646   6.41 0.000 1.000 0.216 0.664     353.793     390.000       8.749   44 
-    350000       70000.00      34.164      13.959      48.123   5.07 0.071 0.833 0.515 0.864     309.956     390.000       8.543   44 
-    360000       72000.00      26.338      18.845      45.183  10.75 0.071 0.500 0.136 1.012     238.950     390.000      13.330   44 
-    370000       74000.00      40.669      -4.002      36.667   6.68 0.000 1.000 0.409 0.426     368.971     390.000       7.927   44 
-    380000       76000.00      38.710       8.911      47.621   5.89 0.143 0.600 0.309 0.223     351.193     390.000       7.496   44 
-    390000       78000.00      44.275      13.681      57.956   4.71 0.143 0.333 0.136 0.870     401.686     390.000       8.552   44 
-    400000       80000.00      36.109      20.522      56.631   5.57 0.000 1.000 0.500 0.684     327.601     390.000       8.634   44 
-    410000       82000.00      44.113       8.808      52.921  10.74 0.071 0.000 0.136 0.692     400.216     400.000      13.322   44 
-    420000       84000.00      32.486      13.245      45.731   7.28 0.071 0.667 0.167 0.947     294.727     400.000      10.381   44 
-    430000       86000.00      49.291       7.246      56.537   8.04 0.000 1.000 0.182 0.495     447.194     400.000       9.856   44 
-    440000       88000.00      48.225      10.866      59.091   8.28 0.071 0.667 0.136 1.342     437.526     400.000      12.791   44 
-    450000       90000.00      46.959      14.126      61.085   6.95 0.071 0.833 0.212 0.584     426.034     400.000       9.510   44 
-    460000       92000.00      45.806      14.329      60.135   5.51 0.143 0.750 0.205 0.308     415.578     400.000       8.560   44 
-    470000       94000.00      46.136      12.743      58.879   9.62 0.071 0.000 0.136 0.786     418.570     400.000      12.419   44 
-    480000       96000.00      45.618      23.025      68.643   6.06 0.000 1.000 0.136 0.871     413.867     400.000       9.408   44 
-    490000       98000.00      43.802      -2.135      41.668   5.21 0.000 1.000 0.485 1.073     397.399     400.000       7.804   44 
-    500000      100000.00      42.975       9.918      52.893   8.01 0.000   NaN   NaN 0.211     389.893     400.000      10.174   44 
-    510000      102000.00      47.002      17.975      64.978   6.81 0.000   NaN   NaN 0.632     426.431     400.000       9.803   44 
-    520000      104000.00      41.450       7.742      49.192   6.29 0.071 0.800 0.391 0.456     376.058     400.000       8.265   44 
-    530000      106000.00      25.708       2.728      28.436   5.43 0.000 1.000 0.200 0.344     233.239     400.000       8.094   44 
-    540000      108000.00      38.104       5.431      43.535   8.23 0.143 0.333 0.182 0.614     345.702     400.000       9.115   44 
-    550000      110000.00      40.540      15.492      56.032   7.24 0.071 0.750 0.159 0.556     367.797     400.000      10.877   44 
-    560000      112000.00      38.207       6.592      44.799   5.89 0.000   NaN   NaN 0.369     346.634     400.000      10.268   44 
-    570000      114000.00      46.310      13.643      59.954   9.96 0.000 1.000 0.136 1.193     420.149     400.000      13.808   44 
-    580000      116000.00      44.453      17.680      62.133   6.16 0.071 0.750 0.182 0.618     403.303     400.000       8.347   44 
-    590000      118000.00      43.511       6.395      49.906   6.14 0.071 0.833 0.280 0.575     394.752     400.000       9.639   44 
-    600000      120000.00      47.434      12.264      59.698   4.26 0.143 0.333 0.348 1.134     430.344     400.000       9.226   44 
-    610000      122000.00      32.093       3.567      35.660   5.62 0.000 1.000 0.273 1.312     291.165     400.000       9.407   44 
-    620000      124000.00      37.154      18.596      55.749   8.14 0.000   NaN   NaN 0.375     337.077     400.000      12.354   44 
-    630000      126000.00      43.130      10.851      53.981   8.66 0.071 0.500 0.227 0.703     391.295     400.000      10.639   44 
-    640000      128000.00      43.273      18.576      61.850   5.16 0.071 0.750 0.261 0.470     392.598     400.000       8.817   44 
-    650000      130000.00      39.751       8.959      48.710   9.02 0.071 0.000 0.136 0.669     360.639     400.000      12.907   44 
-    660000      132000.00      38.077       6.688      44.765   6.90 0.000 1.000 0.227 0.646     345.452     400.000       9.504   44 
-    670000      134000.00      35.427       9.061      44.488   5.80 0.000 1.000 0.636 0.264     321.410     400.000       9.137   44 
-    680000      136000.00      36.954      10.060      47.013   6.29 0.071 0.857 0.442 0.939     335.265     400.000       8.189   44 
-    690000      138000.00      42.659       6.453      49.112   6.75 0.143 0.714 0.286 0.189     387.023     400.000       7.734   44 
-    700000      140000.00      50.824      24.117      74.940   9.99 0.071 0.750 0.170 1.401     461.098     400.000      12.757   44 
-    710000      142000.00      43.579      21.321      64.899   7.77 0.071 0.750 0.193 0.439     395.367     380.000       9.774   44 
-    720000      144000.00      44.985       5.815      50.800   7.65 0.000 1.000 0.295 0.246     408.129     380.000       9.799   44 
-    730000      146000.00      41.928      16.786      58.714   8.09 0.071 0.800 0.327 0.824     380.394     380.000       9.431   44 
-    740000      148000.00      36.985      13.489      50.474   6.32 0.000 1.000 0.236 1.448     335.545     380.000       8.714   44 
-    750000      150000.00      44.510       2.700      47.210   6.61 0.000 1.000 0.220 0.362     403.818     380.000      10.008   44 
-    760000      152000.00      42.520       3.392      45.911   4.83 0.071 0.750 0.318 1.040     385.761     380.000       8.558   44 
-    770000      154000.00      37.159       6.508      43.668   5.92 0.071 0.667 0.197 0.512     337.129     380.000       8.610   44 
-    780000      156000.00      42.716      -5.522      37.193   5.74 0.214 0.500 0.265 0.989     387.537     380.000       6.883   44 
-    790000      158000.00      41.532       9.870      51.402   7.96 0.214 0.625 0.239 0.439     376.795     380.000       8.308   44 
-    800000      160000.00      38.780       2.245      41.025   5.34 0.071 0.857 0.383 0.870     351.837     380.000       7.698   44 
-    810000      162000.00      44.820      16.330      61.149  11.87 0.000 1.000 0.136 0.797     406.629     380.000      15.727   44 
-    820000      164000.00      32.915       9.312      42.227   6.62 0.000 1.000 0.159 0.470     298.618     380.000       9.216   44 
-    830000      166000.00      43.546       6.496      50.042   4.71 0.071 0.000 0.136 0.479     395.075     380.000       8.877   44 
-    840000      168000.00      38.370      16.508      54.878   9.54 0.000   NaN   NaN 0.193     348.111     380.000      12.749   44 
-    850000      170000.00      35.358       0.149      35.507   5.03 0.214 0.500 0.182 0.702     320.787     380.000       8.509   44 
-    860000      172000.00      36.017       5.831      41.848   4.84 0.071 0.500 0.136 1.042     326.764     380.000       9.540   44 
-    870000      174000.00      39.332      17.055      56.388   5.55 0.071 0.750 0.489 0.737     356.844     380.000       8.783   44 
-    880000      176000.00      44.571      15.911      60.483   7.77 0.071 0.800 0.164 0.546     404.375     380.000      10.384   44 
-    890000      178000.00      26.918       1.872      28.790   9.48 0.000   NaN   NaN 0.339     244.211     380.000      12.044   44 
-    900000      180000.00      50.758       9.737      60.495   7.31 0.071 0.857 0.266 0.347     460.502     380.000       8.011   44 
-    910000      182000.00      42.425      19.254      61.679   7.64 0.214 0.250 0.182 0.617     384.899     380.000      11.092   44 
-    920000      184000.00      34.173      11.488      45.661   6.47 0.143 0.333 0.167 0.580     310.038     380.000       9.473   44 
-    930000      186000.00      38.845      15.516      54.361   6.53 0.071 0.750 0.205 0.290     352.423     380.000       8.737   44 
-    940000      188000.00      42.090      17.910      60.000   5.36 0.071 0.750 0.205 0.518     381.860     380.000       9.396   44 
-    950000      190000.00      37.715      16.606      54.321   6.35 0.000 1.000 0.136 0.332     342.173     380.000      11.295   44 
-    960000      192000.00      40.347       9.088      49.435   6.93 0.000 1.000 0.152 0.747     366.050     380.000      10.326   44 
-    970000      194000.00      44.434       1.220      45.654   5.78 0.214 0.727 0.281 0.915     403.128     380.000       7.781   44 
-    980000      196000.00      36.460       3.293      39.753   5.28 0.000 1.000 0.318 0.786     330.784     380.000       9.093   44 
-    990000      198000.00      48.041       9.979      58.019   8.09 0.000 1.000 0.227 0.541     435.849     380.000       9.326   44 
-   1000000      200000.00      45.306       9.042      54.348   4.88 0.143 0.600 0.345 0.345     411.036     380.000       7.440   44 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB045.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB045.stat
deleted file mode 100644
index 03a005f..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB045.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      39.174     113.174     152.349  12.87 0.000   NaN   NaN 4.850     355.409     360.000      15.552   45 
-     10000        2000.00      40.796       2.550      43.347   5.59 0.000 1.000 0.424 1.029     370.124     360.000       8.118   45 
-     20000        4000.00      40.571      -0.427      40.144   6.75 0.286 0.429 0.175 0.673     368.082     360.000      10.161   45 
-     30000        6000.00      40.065       5.534      45.599   7.13 0.000 1.000 0.159 0.337     363.489     360.000      10.892   45 
-     40000        8000.00      33.316       7.081      40.397   5.82 0.000 1.000 0.240 0.280     302.262     360.000       7.382   45 
-     50000       10000.00      28.934      15.704      44.637   5.99 0.000   NaN   NaN 0.361     262.502     360.000       9.590   45 
-     60000       12000.00      43.761      -0.660      43.102   4.07 0.143 0.667 0.242 0.222     397.027     360.000       7.942   45 
-     70000       14000.00      30.183      -6.164      24.019   5.50 0.071 0.875 0.449 0.618     273.834     360.000       7.615   45 
-     80000       16000.00      26.729      -9.177      17.552   5.50 0.143 0.714 0.201 0.962     242.495     360.000       7.487   45 
-     90000       18000.00      32.965      -0.277      32.688   5.76 0.071 0.500 0.250 0.571     299.076     360.000      10.045   45 
-    100000       20000.00      38.992      11.546      50.538   4.56 0.071 0.750 0.341 0.459     353.756     360.000       9.138   45 
-    110000       22000.00      45.963       8.872      54.835   4.84 0.071 0.875 0.318 0.755     416.998     400.000       7.356   45 
-    120000       24000.00      36.898       7.864      44.762   6.44 0.000 1.000 0.261 0.302     334.754     400.000       9.337   45 
-    130000       26000.00      40.821      21.982      62.803   8.26 0.000 1.000 0.159 0.757     370.353     400.000      12.142   45 
-    140000       28000.00      52.125      14.623      66.748   5.75 0.143 0.500 0.216 0.314     472.907     400.000       8.914   45 
-    150000       30000.00      37.829      22.056      59.886   7.53 0.143 0.600 0.200 1.040     343.207     400.000      10.406   45 
-    160000       32000.00      37.588       3.294      40.882   3.45 0.071 0.833 0.364 1.111     341.017     400.000       7.192   45 
-    170000       34000.00      41.237      14.324      55.560   4.97 0.071 0.857 0.357 0.238     374.120     400.000       7.325   45 
-    180000       36000.00      35.038      14.110      49.148   6.06 0.071 0.800 0.227 0.666     317.885     400.000       9.560   45 
-    190000       38000.00      46.838       5.881      52.719   6.21 0.071 0.833 0.258 0.789     424.938     400.000       8.139   45 
-    200000       40000.00      46.166       7.330      53.496   7.72 0.000 1.000 0.136 0.346     418.840     400.000      12.406   45 
-    210000       42000.00      38.535       7.261      45.796   9.35 0.071 0.000 0.136 0.293     349.612     400.000      12.499   45 
-    220000       44000.00      36.685      16.075      52.760   7.25 0.071 0.500 0.250 0.621     332.829     400.000       8.815   45 
-    230000       46000.00      28.345       4.051      32.396   5.66 0.071 0.833 0.235 0.373     257.158     400.000       8.341   45 
-    240000       48000.00      36.118      11.857      47.975   7.25 0.071 0.000 0.182 0.740     327.682     400.000      10.496   45 
-    250000       50000.00      55.621      19.700      75.322   6.06 0.143 0.750 0.375 0.314     504.627     400.000       7.919   45 
-    260000       52000.00      38.530      17.687      56.217   5.52 0.143 0.333 0.167 1.088     349.568     400.000       7.964   45 
-    270000       54000.00      39.651       8.583      48.233   4.02 0.071 0.800 0.236 0.351     359.731     400.000       8.506   45 
-    280000       56000.00      38.623       6.117      44.741   5.76 0.071 0.667 0.515 0.767     350.412     400.000       8.946   45 
-    290000       58000.00      43.075      10.475      53.550   4.23 0.000 1.000 0.205 0.295     390.795     400.000       9.149   45 
-    300000       60000.00      34.908       7.206      42.113   6.30 0.071 0.889 0.328 0.867     316.699     400.000       8.213   45 
-    310000       62000.00      41.038      14.782      55.820   5.39 0.071 0.750 0.261 0.359     372.317     400.000       8.257   45 
-    320000       64000.00      40.761       7.029      47.790   5.26 0.071 0.750 0.261 0.408     369.805     400.000       9.510   45 
-    330000       66000.00      33.857      19.824      53.681   7.19 0.000   NaN   NaN 0.891     307.168     400.000       9.855   45 
-    340000       68000.00      39.034      19.829      58.863   4.57 0.000   NaN   NaN 0.854     354.141     400.000       8.700   45 
-    350000       70000.00      38.862      11.105      49.967   4.08 0.143 0.667 0.265 0.419     352.576     400.000       8.198   45 
-    360000       72000.00      45.170       5.867      51.036   5.98 0.071 0.667 0.197 0.779     409.802     400.000       9.289   45 
-    370000       74000.00      39.268       9.264      48.532   7.41 0.071 0.750 0.250 0.436     356.263     400.000      10.139   45 
-    380000       76000.00      42.576      10.408      52.984   6.45 0.071 0.750 0.205 0.229     386.272     400.000       9.764   45 
-    390000       78000.00      33.474       0.677      34.151   6.16 0.071 0.833 0.341 0.167     303.696     400.000       8.138   45 
-    400000       80000.00      37.829       7.894      45.723   4.72 0.071 0.833 0.303 0.771     343.205     400.000       7.932   45 
-    410000       82000.00      45.880      12.864      58.744   6.30 0.071 0.800 0.418 0.488     416.243     400.000       9.043   45 
-    420000       84000.00      35.982       9.778      45.759   5.99 0.143 0.500 0.159 0.357     326.443     400.000      10.027   45 
-    430000       86000.00      33.592      10.640      44.232   6.38 0.000 1.000 0.205 0.315     304.762     400.000       9.830   45 
-    440000       88000.00      37.419      17.822      55.241   7.88 0.071 0.000 0.136 0.444     339.481     400.000      11.788   45 
-    450000       90000.00      43.128       0.946      44.075   8.00 0.000 1.000 0.300 0.417     391.281     400.000       9.609   45 
-    460000       92000.00      46.160      13.121      59.282   8.00 0.071 0.667 0.197 0.738     418.790     400.000       9.619   45 
-    470000       94000.00      45.236      16.780      62.016   5.25 0.143 0.000 0.136 0.588     410.404     400.000       9.229   45 
-    480000       96000.00      47.124      15.284      62.407   9.31 0.000 1.000 0.182 0.774     427.532     400.000      12.003   45 
-    490000       98000.00      41.641       8.015      49.656   9.36 0.071 0.667 0.182 0.661     377.790     400.000      12.971   45 
-    500000      100000.00      30.948       6.560      37.509   7.18 0.071 0.667 0.167 0.590     280.778     400.000       9.493   45 
-    510000      102000.00      37.394      10.868      48.262  10.07 0.071 0.667 0.212 0.542     339.259     380.000      12.519   45 
-    520000      104000.00      43.764      12.679      56.443   8.23 0.000   NaN   NaN 0.735     397.051     380.000      11.236   45 
-    530000      106000.00      43.559       2.971      46.530   6.32 0.000 1.000 0.500 1.413     395.191     380.000       8.207   45 
-    540000      108000.00      40.652      12.434      53.087   5.27 0.143 0.778 0.293 0.410     368.820     380.000       7.770   45 
-    550000      110000.00      32.524       5.757      38.282   5.55 0.000 1.000 0.227 1.031     295.078     380.000       8.591   45 
-    560000      112000.00      45.856       5.366      51.221  10.39 0.000   NaN   NaN 1.360     416.025     380.000      14.427   45 
-    570000      114000.00      45.257       9.126      54.383   5.42 0.071 0.800 0.282 1.019     410.598     380.000       8.484   45 
-    580000      116000.00      38.773      12.756      51.529   8.97 0.071 0.750 0.193 0.301     351.765     380.000      12.104   45 
-    590000      118000.00      28.899      19.379      48.278   6.19 0.000 1.000 0.227 0.564     262.185     380.000       8.347   45 
-    600000      120000.00      34.024       0.383      34.407   6.34 0.143 0.714 0.286 0.564     308.686     380.000       7.712   45 
-    610000      122000.00      40.608      -2.465      38.144   3.93 0.143 0.778 0.303 0.710     368.419     380.000       7.122   45 
-    620000      124000.00      39.987      21.821      61.808   5.34 0.071 0.800 0.245 0.724     362.783     380.000       8.403   45 
-    630000      126000.00      33.241      15.268      48.510   7.13 0.000 1.000 0.371 0.758     301.583     380.000       8.578   45 
-    640000      128000.00      33.705      14.818      48.523   5.44 0.214 0.400 0.173 0.512     305.785     380.000       9.487   45 
-    650000      130000.00      36.973       1.921      38.894   4.96 0.000 1.000 0.242 0.478     335.439     380.000       8.909   45 
-    660000      132000.00      32.057      12.328      44.385   8.38 0.143 0.333 0.136 0.876     290.838     380.000      10.466   45 
-    670000      134000.00      49.521      15.151      64.671   6.64 0.071 0.800 0.282 0.786     449.276     380.000       8.521   45 
-    680000      136000.00      40.332      15.431      55.763   6.81 0.000 1.000 0.481 0.798     365.914     380.000       7.421   45 
-    690000      138000.00      44.107       4.892      48.999   6.62 0.071 0.800 0.227 1.151     400.161     380.000       8.870   45 
-    700000      140000.00      34.913       7.336      42.248   7.40 0.071 0.857 0.266 0.505     316.745     380.000       7.865   45 
-    710000      142000.00      34.643      17.154      51.797   5.85 0.000 1.000 0.227 1.334     314.303     380.000       9.544   45 
-    720000      144000.00      29.777       9.290      39.066   5.75 0.071 0.857 0.351 0.312     270.148     380.000       8.338   45 
-    730000      146000.00      37.199      10.573      47.773   4.54 0.071 0.857 0.494 0.394     337.490     380.000       7.384   45 
-    740000      148000.00      32.674      16.774      49.447   6.02 0.071 0.000 0.136 0.604     296.431     380.000      10.158   45 
-    750000      150000.00      31.632       8.814      40.445   7.54 0.071 0.833 0.242 0.269     286.978     380.000       8.772   45 
-    760000      152000.00      34.095      -4.392      29.703   5.91 0.071 0.857 0.364 0.645     309.327     380.000       7.586   45 
-    770000      154000.00      37.161      20.559      57.720   9.42 0.071 0.000 0.136 0.460     337.147     380.000      12.090   45 
-    780000      156000.00      34.922       4.161      39.083   6.65 0.071 0.875 0.426 0.415     316.831     380.000       7.021   45 
-    790000      158000.00      33.370      11.771      45.141   4.93 0.143 0.667 0.152 0.458     302.751     380.000       9.440   45 
-    800000      160000.00      37.354      -5.582      31.772   6.11 0.357 0.167 0.159 0.691     338.892     380.000       8.448   45 
-    810000      162000.00      43.862       5.224      49.085   6.51 0.000 1.000 0.523 0.755     397.934     380.000       7.212   45 
-    820000      164000.00      29.170       4.621      33.791   4.98 0.071 0.667 0.348 0.760     264.647     380.000       9.523   45 
-    830000      166000.00      43.153       6.387      49.540   7.34 0.000 1.000 0.250 0.823     391.506     380.000       9.389   45 
-    840000      168000.00      30.736       7.608      38.344   5.35 0.000 1.000 0.345 0.713     278.853     380.000       8.319   45 
-    850000      170000.00      43.979      -0.158      43.821   4.50 0.214 0.400 0.209 0.602     399.003     380.000       8.773   45 
-    860000      172000.00      36.861       7.442      44.303   9.57 0.286 0.200 0.164 0.330     334.419     380.000      12.171   45 
-    870000      174000.00      43.126       0.484      43.609   6.09 0.143 0.500 0.284 0.601     391.259     380.000       8.057   45 
-    880000      176000.00      49.191       9.044      58.235   5.08 0.143 0.500 0.341 0.328     446.282     380.000       7.628   45 
-    890000      178000.00      35.483      14.473      49.956   5.11 0.071 0.833 0.379 0.842     321.917     380.000       8.760   45 
-    900000      180000.00      49.617       3.555      53.172   5.72 0.000 1.000 0.455 0.313     450.152     380.000       8.636   45 
-    910000      182000.00      47.300       4.761      52.061   9.17 0.000 1.000 0.152 1.322     429.130     380.000      12.197   45 
-    920000      184000.00      42.183      16.419      58.602   9.66 0.000   NaN   NaN 0.476     382.705     380.000      11.851   45 
-    930000      186000.00      51.947      15.962      67.909   6.65 0.000 1.000 0.333 0.684     471.292     380.000       9.590   45 
-    940000      188000.00      36.147      18.569      54.716   5.62 0.071 0.500 0.182 0.509     327.948     380.000       9.131   45 
-    950000      190000.00      42.872       5.743      48.615   8.22 0.143 0.500 0.170 0.657     388.955     380.000      10.141   45 
-    960000      192000.00      36.332       0.365      36.697   6.66 0.071 0.889 0.273 0.600     329.626     380.000       8.656   45 
-    970000      194000.00      33.614      16.781      50.396   6.71 0.000 1.000 0.227 1.277     304.965     380.000       9.629   45 
-    980000      196000.00      40.592      20.655      61.247   6.21 0.000 1.000 0.197 0.749     368.270     380.000       9.506   45 
-    990000      198000.00      34.474      15.749      50.222   6.94 0.143 0.500 0.182 0.935     312.763     380.000      10.112   45 
-   1000000      200000.00      42.300      13.502      55.802   4.88 0.143 0.500 0.284 0.753     383.766     380.000       8.658   45 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB046.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB046.stat
deleted file mode 100644
index a822138..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB046.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      29.208     113.174     142.383  12.87 0.000   NaN   NaN 4.850     264.991     360.000      15.552   46 
-     10000        2000.00      43.758       6.701      50.459   4.57 0.214 0.400 0.236 0.427     396.994     360.000       7.818   46 
-     20000        4000.00      43.697       6.349      50.046   4.30 0.143 0.333 0.197 0.569     396.438     360.000       8.630   46 
-     30000        6000.00      34.045       4.844      38.888   6.01 0.143 0.500 0.193 0.139     308.871     360.000       9.480   46 
-     40000        8000.00      47.269      11.074      58.343   4.41 0.071 0.750 0.398 0.376     428.849     360.000       8.080   46 
-     50000       10000.00      35.758       7.529      43.287   5.26 0.143 0.667 0.235 0.319     324.417     360.000       7.644   46 
-     60000       12000.00      32.769       6.914      39.682   6.23 0.000   NaN   NaN 0.799     297.294     360.000      11.068   46 
-     70000       14000.00      30.609       3.063      33.672   4.75 0.071 0.800 0.509 0.244     277.698     360.000       7.751   46 
-     80000       16000.00      36.629       2.063      38.692   6.73 0.214 0.250 0.170 0.978     332.315     360.000       9.786   46 
-     90000       18000.00      29.553      10.784      40.337   7.36 0.000 1.000 0.258 0.639     268.120     360.000       8.700   46 
-    100000       20000.00      41.131      14.336      55.467   6.67 0.071 0.750 0.170 0.533     373.160     360.000       9.447   46 
-    110000       22000.00      40.465       0.454      40.919   6.49 0.000 1.000 0.152 0.342     367.118     400.000      10.001   46 
-    120000       24000.00      58.644      12.320      70.964   6.37 0.286 0.429 0.195 1.289     532.052     400.000       9.191   46 
-    130000       26000.00      46.568      17.129      63.696   8.88 0.071 0.750 0.182 0.697     422.486     400.000      11.197   46 
-    140000       28000.00      37.185       4.573      41.758   8.21 0.071 0.500 0.205 0.533     337.360     400.000      10.338   46 
-    150000       30000.00      44.012      21.093      65.105   6.34 0.071 0.500 0.182 0.917     399.299     400.000       9.628   46 
-    160000       32000.00      38.477      16.608      55.085   6.56 0.000 1.000 0.300 0.228     349.085     400.000       8.883   46 
-    170000       34000.00      36.968      13.850      50.819  10.46 0.000   NaN   NaN 0.938     335.397     400.000      13.079   46 
-    180000       36000.00      43.963       5.164      49.127   5.41 0.000 1.000 0.227 0.277     398.857     400.000       8.758   46 
-    190000       38000.00      31.217      20.574      51.791   7.04 0.000 1.000 0.159 0.347     283.213     400.000      10.541   46 
-    200000       40000.00      44.948      17.326      62.273   6.16 0.000 1.000 0.305 0.310     407.788     400.000       7.975   46 
-    210000       42000.00      48.953      17.041      65.994   5.04 0.071 0.750 0.261 0.699     444.125     400.000       9.134   46 
-    220000       44000.00      46.567      17.288      63.855   9.71 0.000 1.000 0.136 0.620     422.484     400.000      13.956   46 
-    230000       46000.00      37.685      12.151      49.835   6.33 0.071 0.800 0.345 0.511     341.895     400.000       7.668   46 
-    240000       48000.00      50.040      10.231      60.271   7.19 0.143 0.750 0.210 0.477     453.991     400.000       7.828   46 
-    250000       50000.00      42.641      22.760      65.401   7.16 0.000 1.000 0.159 0.357     386.864     400.000      11.700   46 
-    260000       52000.00      35.236      20.322      55.557   7.75 0.071 0.750 0.216 0.655     319.676     400.000      11.369   46 
-    270000       54000.00      47.448      18.868      66.315   5.24 0.214 0.571 0.182 0.472     430.471     400.000       9.030   46 
-    280000       56000.00      40.524      10.789      51.314   8.70 0.071 0.500 0.250 0.570     367.658     400.000      11.747   46 
-    290000       58000.00      42.031       4.774      46.805   5.32 0.143 0.818 0.413 0.736     381.330     400.000       7.399   46 
-    300000       60000.00      34.398       7.579      41.977   5.78 0.000 1.000 0.295 0.465     312.075     400.000       9.144   46 
-    310000       62000.00      42.344      16.889      59.233   8.52 0.071 0.000 0.136 0.390     384.165     380.000      12.376   46 
-    320000       64000.00      60.530       4.972      65.502   6.89 0.143 0.500 0.182 0.335     549.156     380.000       9.974   46 
-    330000       66000.00      34.793      17.281      52.074   6.01 0.143 0.333 0.258 0.576     315.656     380.000       9.186   46 
-    340000       68000.00      46.890       0.995      47.885   3.79 0.286 0.200 0.164 0.393     425.408     380.000       7.998   46 
-    350000       70000.00      38.207       5.243      43.450   6.26 0.071 0.857 0.474 0.540     346.632     380.000       7.357   46 
-    360000       72000.00      37.786      13.380      51.166   6.03 0.000 1.000 0.136 0.410     342.810     380.000       9.794   46 
-    370000       74000.00      44.069      10.387      54.456   8.18 0.143 0.667 0.250 0.303     399.818     380.000      10.008   46 
-    380000       76000.00      40.409      18.955      59.365   4.96 0.071 0.800 0.255 1.048     366.614     380.000       8.014   46 
-    390000       78000.00      47.432       3.019      50.451   5.75 0.143 0.600 0.500 0.735     430.329     380.000       7.894   46 
-    400000       80000.00      40.803      -4.750      36.052   4.51 0.214 0.727 0.306 0.153     370.184     380.000       7.361   46 
-    410000       82000.00      42.563       3.588      46.150   5.46 0.000 1.000 0.167 0.284     386.149     380.000       7.919   46 
-    420000       84000.00      37.465      10.281      47.746   5.90 0.000 1.000 0.182 0.369     339.901     380.000      10.509   46 
-    430000       86000.00      35.817      12.234      48.052   5.00 0.000 1.000 0.261 0.868     324.954     380.000       8.945   46 
-    440000       88000.00      40.299       9.074      49.373   8.90 0.214 0.400 0.191 0.608     365.614     380.000      10.897   46 
-    450000       90000.00      29.820      10.354      40.174   4.42 0.071 0.667 0.167 0.247     270.543     380.000       8.169   46 
-    460000       92000.00      37.847      10.735      48.582   7.38 0.143 0.333 0.167 0.345     343.368     380.000      10.930   46 
-    470000       94000.00      46.693       8.070      54.763   8.09 0.000 1.000 0.261 0.979     423.621     380.000       8.352   46 
-    480000       96000.00      38.594       3.584      42.177   6.61 0.071 0.833 0.394 0.307     350.143     380.000       7.598   46 
-    490000       98000.00      37.560      19.950      57.510   6.95 0.000 1.000 0.136 1.167     340.763     380.000      10.437   46 
-    500000      100000.00      36.778       8.590      45.367  10.94 0.071 0.000 0.136 0.424     333.666     380.000      14.204   46 
-    510000      102000.00      37.577       9.062      46.639   5.84 0.071 0.667 0.136 0.242     340.918     370.000       9.136   46 
-    520000      104000.00      45.961      12.818      58.780   8.69 0.143 0.500 0.182 0.918     416.985     370.000      11.156   46 
-    530000      106000.00      37.626      12.700      50.326   4.63 0.000 1.000 0.538 0.687     341.359     370.000       8.296   46 
-    540000      108000.00      39.892      -2.420      37.472   4.72 0.071 0.667 0.152 0.214     361.917     370.000       7.463   46 
-    550000      110000.00      36.205      12.231      48.437   5.11 0.071 0.833 0.265 0.932     328.471     370.000       8.756   46 
-    560000      112000.00      34.754       4.740      39.494   5.72 0.214 0.500 0.212 0.720     315.304     370.000       8.595   46 
-    570000      114000.00      37.257      12.125      49.382   8.64 0.143 0.333 0.167 1.486     338.015     370.000      11.031   46 
-    580000      116000.00      40.444      14.519      54.962   6.43 0.071 0.800 0.309 0.860     366.925     370.000       8.220   46 
-    590000      118000.00      37.151       1.809      38.960   7.23 0.143 0.750 0.290 1.036     337.050     370.000       8.303   46 
-    600000      120000.00      37.839       5.796      43.635   6.46 0.000 1.000 0.348 0.938     343.298     370.000       7.856   46 
-    610000      122000.00      40.003      10.059      50.062   6.12 0.143 0.667 0.288 0.759     362.932     370.000       8.659   46 
-    620000      124000.00      39.546       8.578      48.124  10.96 0.071 0.500 0.136 0.407     358.780     370.000      14.688   46 
-    630000      126000.00      36.449       1.847      38.296   4.53 0.214 0.500 0.273 0.271     330.683     370.000       7.513   46 
-    640000      128000.00      32.873       7.423      40.296   6.01 0.000 1.000 0.205 1.000     298.245     370.000       9.505   46 
-    650000      130000.00      39.500       4.728      44.228   5.87 0.286 0.600 0.205 1.146     358.363     370.000       7.743   46 
-    660000      132000.00      31.239       6.353      37.593   6.01 0.000 1.000 0.364 1.293     283.421     370.000       8.755   46 
-    670000      134000.00      33.399      18.035      51.434   9.75 0.071 0.000 0.136 0.513     303.014     370.000      12.781   46 
-    680000      136000.00      35.009       5.476      40.485   7.26 0.000 1.000 0.330 0.499     317.622     370.000       9.467   46 
-    690000      138000.00      32.721       5.748      38.469   7.09 0.071 0.750 0.182 0.864     296.861     370.000       9.397   46 
-    700000      140000.00      30.015       3.246      33.261   4.85 0.143 0.500 0.216 0.596     272.313     370.000       8.152   46 
-    710000      142000.00      39.271       8.363      47.634   6.94 0.000 1.000 0.258 0.662     356.286     370.000       9.606   46 
-    720000      144000.00      40.966       7.354      48.320   5.77 0.214 0.500 0.174 0.381     371.666     370.000       8.519   46 
-    730000      146000.00      43.014       8.551      51.565   6.07 0.143 0.000 0.136 0.762     390.248     370.000      10.043   46 
-    740000      148000.00      35.272       3.746      39.018   6.03 0.071 0.800 0.191 0.289     320.008     370.000       8.266   46 
-    750000      150000.00      40.616      -1.408      39.208   4.39 0.143 0.800 0.323 0.371     368.492     370.000       7.329   46 
-    760000      152000.00      33.164      12.539      45.703   7.48 0.071 0.667 0.288 0.702     300.884     370.000       8.092   46 
-    770000      154000.00      36.792      11.184      47.976   5.54 0.071 0.667 0.273 0.874     333.800     370.000       8.979   46 
-    780000      156000.00      41.622      12.733      54.355   5.29 0.071 0.667 0.182 0.391     377.617     370.000       8.722   46 
-    790000      158000.00      26.564       9.644      36.208   6.28 0.000 1.000 0.159 0.484     241.000     370.000       9.081   46 
-    800000      160000.00      45.751       5.659      51.410   6.33 0.071 0.500 0.159 0.549     415.076     370.000       9.547   46 
-    810000      162000.00      29.915       6.898      36.813   7.16 0.071 0.667 0.273 0.652     271.405     370.000       9.232   46 
-    820000      164000.00      37.407       5.870      43.276   5.99 0.071 0.857 0.377 0.784     339.374     370.000       8.538   46 
-    830000      166000.00      40.453       0.696      41.149   3.75 0.214 0.625 0.278 0.643     367.009     370.000       7.283   46 
-    840000      168000.00      32.399       9.213      41.612   6.10 0.143 0.714 0.325 0.613     293.942     370.000       8.100   46 
-    850000      170000.00      40.080      12.952      53.031   5.99 0.071 0.889 0.394 0.192     363.623     370.000       7.737   46 
-    860000      172000.00      51.748       6.266      58.013   5.35 0.071 0.833 0.280 0.259     469.482     370.000       8.776   46 
-    870000      174000.00      35.223      12.206      47.429   6.82 0.071 0.750 0.216 1.271     319.563     370.000       9.399   46 
-    880000      176000.00      38.149      20.301      58.450   7.82 0.143 0.000 0.182 0.357     346.112     370.000      11.310   46 
-    890000      178000.00      45.228       9.360      54.588   5.49 0.000 1.000 0.511 0.454     410.333     370.000       8.816   46 
-    900000      180000.00      42.944      10.168      53.112   7.45 0.214 0.250 0.159 0.344     389.610     370.000      11.075   46 
-    910000      182000.00      39.535       1.860      41.395   6.66 0.143 0.778 0.449 0.677     358.686     370.000       7.165   46 
-    920000      184000.00      36.213      -0.945      35.268   8.00 0.071 0.750 0.159 0.546     328.544     370.000      11.202   46 
-    930000      186000.00      38.412       6.127      44.539   5.24 0.000 1.000 0.409 0.576     348.493     370.000       8.818   46 
-    940000      188000.00      40.058      11.389      51.447   7.77 0.000 1.000 0.182 0.314     363.429     370.000      10.438   46 
-    950000      190000.00      45.103       0.632      45.735   5.86 0.071 0.857 0.312 0.324     409.195     370.000       7.885   46 
-    960000      192000.00      38.633       3.797      42.430   6.20 0.143 0.714 0.318 0.414     350.499     370.000       8.419   46 
-    970000      194000.00      45.656       6.231      51.887   5.92 0.143 0.600 0.182 0.378     414.213     370.000       9.929   46 
-    980000      196000.00      33.204      18.718      51.923   6.69 0.071 0.500 0.182 0.344     301.246     370.000       9.830   46 
-    990000      198000.00      38.295      10.332      48.626   7.65 0.071 0.500 0.182 0.788     347.430     370.000      11.192   46 
-   1000000      200000.00      41.321       3.816      45.137   6.38 0.071 0.800 0.364 0.691     374.885     370.000       9.322   46 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB047.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB047.stat
deleted file mode 100644
index 4fafe9e..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB047.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      46.494     113.174     159.668  12.87 0.000   NaN   NaN 4.850     421.815     360.000      15.552   47 
-     10000        2000.00      40.224       7.039      47.263   6.57 0.071 0.833 0.386 0.566     364.934     360.000       8.192   47 
-     20000        4000.00      30.427       6.848      37.276   9.33 0.143 0.500 0.159 0.842     276.053     360.000      11.348   47 
-     30000        6000.00      50.785       0.479      51.264   6.96 0.143 0.600 0.200 0.250     460.750     360.000       9.178   47 
-     40000        8000.00      36.321       2.995      39.315   5.71 0.143 0.600 0.155 0.283     329.519     360.000      10.778   47 
-     50000       10000.00      41.079       8.864      49.943   6.61 0.071 0.800 0.245 0.589     372.692     360.000       9.557   47 
-     60000       12000.00      40.096      -2.230      37.866   6.14 0.071 0.875 0.227 0.748     363.772     360.000       8.223   47 
-     70000       14000.00      38.744       5.362      44.106   6.46 0.000 1.000 0.227 0.713     351.510     360.000       8.668   47 
-     80000       16000.00      32.766      10.801      43.568   5.61 0.071 0.500 0.136 0.582     297.271     360.000       9.534   47 
-     90000       18000.00      41.406       1.845      43.251   7.32 0.000 1.000 0.250 0.605     375.655     360.000       7.829   47 
-    100000       20000.00      39.549      13.232      52.781   5.68 0.143 0.778 0.379 0.402     358.810     360.000       7.881   47 
-    110000       22000.00      43.166       8.826      51.992   8.07 0.000 1.000 0.200 0.701     391.624     390.000      11.080   47 
-    120000       24000.00      33.009      13.760      46.768   6.32 0.000 1.000 0.443 0.748     299.472     390.000       8.081   47 
-    130000       26000.00      33.033      14.625      47.658   5.07 0.000 1.000 0.373 0.568     299.694     390.000       9.292   47 
-    140000       28000.00      41.514      18.516      60.030   5.08 0.143 0.750 0.244 0.553     376.633     390.000       7.237   47 
-    150000       30000.00      50.536      15.156      65.692   9.76 0.000 1.000 0.182 0.271     458.488     390.000      12.202   47 
-    160000       32000.00      42.384       2.931      45.315   7.02 0.000 1.000 0.318 0.638     384.530     390.000       8.471   47 
-    170000       34000.00      39.730       9.987      49.717  10.00 0.071 0.000 0.136 0.692     360.449     390.000      12.989   47 
-    180000       36000.00      43.984      14.493      58.476  10.06 0.071 0.000 0.136 1.214     399.044     390.000      12.872   47 
-    190000       38000.00      44.808      20.325      65.133   5.29 0.071 0.833 0.227 0.560     406.519     390.000       8.761   47 
-    200000       40000.00      36.096       0.171      36.267   7.58 0.071 0.833 0.197 0.382     327.483     390.000       7.884   47 
-    210000       42000.00      44.593       2.602      47.195   3.93 0.143 0.750 0.261 0.182     404.573     380.000       7.620   47 
-    220000       44000.00      40.581      12.158      52.739   6.61 0.000 1.000 0.273 0.527     368.173     380.000       7.831   47 
-    230000       46000.00      36.136      10.248      46.384   6.17 0.000 1.000 0.182 0.874     327.847     380.000       9.456   47 
-    240000       48000.00      37.211      10.389      47.600   6.92 0.000 1.000 0.205 0.968     337.596     380.000       8.698   47 
-    250000       50000.00      42.324      13.064      55.388   3.84 0.143 0.750 0.330 0.765     383.989     380.000       7.282   47 
-    260000       52000.00      29.922       4.534      34.456   9.05 0.071 0.750 0.216 0.716     271.468     380.000      11.084   47 
-    270000       54000.00      46.092      13.748      59.840   6.25 0.071 0.500 0.159 0.446     418.169     380.000       9.203   47 
-    280000       56000.00      37.493      16.504      53.997   8.45 0.071 0.000 0.136 1.020     340.157     380.000      12.623   47 
-    290000       58000.00      41.169      14.566      55.735   6.83 0.000 1.000 0.182 0.755     373.507     380.000       9.909   47 
-    300000       60000.00      40.619       7.335      47.953   6.20 0.071 0.857 0.455 0.496     368.513     380.000       8.032   47 
-    310000       62000.00      42.123      11.960      54.083   5.78 0.071 0.875 0.392 0.812     382.164     370.000       8.640   47 
-    320000       64000.00      28.509      12.055      40.564   5.43 0.071 0.750 0.455 0.386     258.649     370.000       8.507   47 
-    330000       66000.00      26.132       2.584      28.716   7.65 0.143 0.667 0.220 0.316     237.081     370.000      10.404   47 
-    340000       68000.00      32.387       0.462      32.849   4.78 0.000 1.000 0.355 0.567     293.831     370.000       7.492   47 
-    350000       70000.00      37.218       9.377      46.595   6.50 0.000 1.000 0.227 0.917     337.659     370.000       9.903   47 
-    360000       72000.00      39.714       7.137      46.850   6.41 0.071 0.857 0.260 0.296     360.302     370.000       7.383   47 
-    370000       74000.00      44.947      13.395      58.342   8.33 0.071 0.500 0.136 1.107     407.780     370.000      11.863   47 
-    380000       76000.00      33.760      -3.646      30.115   5.06 0.143 0.600 0.418 0.933     306.292     370.000       8.229   47 
-    390000       78000.00      31.267       4.216      35.483   5.98 0.000 1.000 0.386 0.869     283.673     370.000       8.027   47 
-    400000       80000.00      31.616       2.861      34.477   4.62 0.071 0.500 0.500 1.025     286.838     370.000       7.857   47 
-    410000       82000.00      30.290       0.781      31.071   6.43 0.071 0.800 0.182 0.485     274.806     360.000       8.338   47 
-    420000       84000.00      30.290       1.996      32.286   8.27 0.000   NaN   NaN 0.512     274.811     360.000      11.814   47 
-    430000       86000.00      41.710      -4.077      37.633   6.16 0.286 0.500 0.227 0.636     378.414     360.000       8.394   47 
-    440000       88000.00      36.189       5.239      41.428   4.82 0.143 0.333 0.182 0.689     328.322     360.000       8.166   47 
-    450000       90000.00      37.967       0.148      38.116   5.23 0.214 0.500 0.508 0.232     344.459     360.000       8.282   47 
-    460000       92000.00      27.262       9.053      36.315   7.57 0.143 0.333 0.152 0.541     247.339     360.000      11.303   47 
-    470000       94000.00      29.405       0.094      29.499   4.44 0.214 0.625 0.210 0.479     266.773     360.000       7.734   47 
-    480000       96000.00      46.135      20.895      67.030   6.92 0.000 1.000 0.136 0.759     418.563     360.000      11.449   47 
-    490000       98000.00      26.958       5.516      32.474   6.23 0.071 0.750 0.250 0.829     244.580     360.000       8.315   47 
-    500000      100000.00      40.333       8.359      48.692   8.00 0.143 0.667 0.205 0.301     365.922     360.000       9.869   47 
-    510000      102000.00      43.707       3.552      47.259   5.60 0.143 0.778 0.283 0.361     396.535     380.000       7.100   47 
-    520000      104000.00      34.747      19.669      54.416   5.56 0.071 0.500 0.159 0.791     315.239     380.000       8.178   47 
-    530000      106000.00      34.795      13.459      48.254   5.56 0.000 1.000 0.182 0.240     315.678     380.000      10.019   47 
-    540000      108000.00      43.990       2.145      46.135   4.53 0.000 1.000 0.227 0.215     399.098     380.000       8.745   47 
-    550000      110000.00      50.785      11.213      61.998   6.22 0.071 0.900 0.373 1.261     460.752     380.000       7.667   47 
-    560000      112000.00      41.262       7.943      49.205   5.51 0.000 1.000 0.326 0.608     374.354     380.000       9.039   47 
-    570000      114000.00      36.048      13.220      49.268   6.87 0.000   NaN   NaN 0.132     327.047     380.000       9.629   47 
-    580000      116000.00      36.103       9.283      45.386   6.40 0.000 1.000 0.609 0.445     327.543     380.000       8.302   47 
-    590000      118000.00      38.973       9.363      48.336   7.01 0.000 1.000 0.424 0.262     353.581     380.000       9.029   47 
-    600000      120000.00      44.982      12.466      57.448   6.15 0.071 0.800 0.200 0.211     408.098     380.000      10.516   47 
-    610000      122000.00      41.506       6.541      48.047   7.51 0.071 0.750 0.170 0.555     376.560     380.000      10.384   47 
-    620000      124000.00      44.054      16.887      60.941  11.55 0.071 0.000 0.136 0.669     399.683     380.000      15.054   47 
-    630000      126000.00      31.905      16.564      48.468   7.66 0.000 1.000 0.182 0.898     289.457     380.000      10.404   47 
-    640000      128000.00      36.245       4.495      40.740   6.26 0.071 0.667 0.152 0.289     328.836     380.000      10.066   47 
-    650000      130000.00      39.773       6.829      46.603   9.09 0.143 0.000 0.136 0.374     360.844     380.000      11.344   47 
-    660000      132000.00      37.600      15.022      52.621   3.88 0.143 0.600 0.491 1.487     341.123     380.000       7.727   47 
-    670000      134000.00      46.539       8.717      55.256   4.91 0.071 0.833 0.341 0.633     422.226     380.000       7.783   47 
-    680000      136000.00      45.151      14.747      59.898   6.31 0.000   NaN   NaN 0.778     409.630     380.000      10.518   47 
-    690000      138000.00      41.299      12.408      53.707   6.27 0.071 0.800 0.200 0.922     374.684     380.000       9.578   47 
-    700000      140000.00      42.492       9.027      51.519   7.43 0.071 0.000 0.136 0.444     385.507     380.000       9.399   47 
-    710000      142000.00      38.158       9.130      47.287   8.93 0.071 0.500 0.136 0.435     346.187     370.000      11.567   47 
-    720000      144000.00      39.542       4.047      43.589   5.78 0.071 0.800 0.400 0.571     358.746     370.000       8.665   47 
-    730000      146000.00      37.373       0.436      37.810   6.09 0.000 1.000 0.312 0.304     339.072     370.000       8.165   47 
-    740000      148000.00      36.067      -3.052      33.015   4.96 0.357 0.444 0.253 0.527     327.220     370.000       7.593   47 
-    750000      150000.00      33.517      -3.011      30.506   5.07 0.214 0.667 0.253 0.891     304.083     370.000       7.409   47 
-    760000      152000.00      40.545      18.542      59.087   5.97 0.000 1.000 0.205 0.414     367.843     370.000       8.902   47 
-    770000      154000.00      37.600       6.437      44.038   5.27 0.071 0.800 0.445 0.155     341.128     370.000       9.088   47 
-    780000      156000.00      29.461       1.386      30.847   6.76 0.000 1.000 0.545 0.460     267.286     370.000       7.945   47 
-    790000      158000.00      31.853       9.239      41.091   9.19 0.071 0.800 0.173 0.232     288.984     370.000      11.175   47 
-    800000      160000.00      28.041       4.645      32.686   6.04 0.143 0.600 0.282 0.503     254.399     370.000       7.930   47 
-    810000      162000.00      42.354       2.598      44.952   6.48 0.143 0.750 0.244 0.277     384.260     360.000       8.308   47 
-    820000      164000.00      50.393      -8.383      42.010   4.33 0.071 0.857 0.331 0.464     457.191     360.000       7.712   47 
-    830000      166000.00      39.252       7.100      46.352   6.45 0.143 0.750 0.205 0.325     356.119     360.000       8.962   47 
-    840000      168000.00      45.876      10.024      55.900   4.13 0.214 0.250 0.170 0.432     416.211     360.000       8.024   47 
-    850000      170000.00      44.685       0.905      45.590   4.39 0.000 1.000 0.242 0.262     405.402     360.000       8.095   47 
-    860000      172000.00      41.896       2.860      44.756   5.82 0.000 1.000 0.386 0.864     380.104     360.000       8.005   47 
-    870000      174000.00      36.684      11.345      48.029   4.77 0.143 0.800 0.223 0.899     332.814     360.000       7.229   47 
-    880000      176000.00      37.843       4.507      42.350   5.96 0.071 0.500 0.182 0.710     343.333     360.000       9.338   47 
-    890000      178000.00      36.614       7.367      43.982   5.78 0.071 0.500 0.364 1.049     332.184     360.000       7.914   47 
-    900000      180000.00      35.163       4.624      39.787   6.46 0.214 0.500 0.167 1.043     319.019     360.000       8.664   47 
-    910000      182000.00      37.956      -8.595      29.361   4.83 0.214 0.571 0.182 0.368     344.358     340.000       8.220   47 
-    920000      184000.00      25.897       2.331      28.228   4.54 0.071 0.500 0.136 0.378     234.947     340.000       9.082   47 
-    930000      186000.00      33.689      -7.816      25.873   5.99 0.286 0.500 0.210 0.203     305.643     340.000       7.602   47 
-    940000      188000.00      31.597      -4.524      27.073   4.59 0.071 0.833 0.364 0.596     286.661     340.000       7.664   47 
-    950000      190000.00      31.686       0.716      32.402   3.45 0.143 0.500 0.318 0.476     287.476     340.000       7.597   47 
-    960000      192000.00      40.207       5.574      45.782   6.76 0.071 0.800 0.209 0.205     364.780     340.000       9.260   47 
-    970000      194000.00      42.338      10.441      52.779   7.03 0.071 0.833 0.348 0.410     384.114     340.000       8.124   47 
-    980000      196000.00      35.800      -5.279      30.522   4.30 0.286 0.500 0.335 1.355     324.800     340.000       7.273   47 
-    990000      198000.00      31.646       5.167      36.813   3.96 0.143 0.750 0.415 0.236     287.112     340.000       7.670   47 
-   1000000      200000.00      37.183      -9.573      27.611   3.95 0.143 0.714 0.240 0.654     337.345     340.000       7.383   47 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB048.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB048.stat
deleted file mode 100644
index a8cee90..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB048.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      43.229     112.930     156.159  12.87 0.000   NaN   NaN 4.850     392.194     370.000      15.552   48 
-     10000        2000.00      34.614       5.834      40.448   6.57 0.143 0.667 0.258 1.128     314.032     370.000       7.777   48 
-     20000        4000.00      36.625       3.333      39.958   4.76 0.143 0.750 0.375 0.778     332.283     370.000       7.681   48 
-     30000        6000.00      36.735      10.716      47.451   7.19 0.071 0.667 0.333 0.637     333.280     370.000       8.402   48 
-     40000        8000.00      38.802       6.604      45.405   5.54 0.000 1.000 0.364 0.900     352.029     370.000       7.711   48 
-     50000       10000.00      35.758       6.101      41.859   4.23 0.214 0.667 0.308 0.538     324.419     370.000       7.982   48 
-     60000       12000.00      45.646       7.865      53.512   5.76 0.071 0.750 0.250 0.718     414.128     370.000       9.248   48 
-     70000       14000.00      37.481      13.311      50.792   6.20 0.214 0.625 0.352 0.632     340.051     370.000       8.498   48 
-     80000       16000.00      35.620       0.526      36.147   3.63 0.071 0.750 0.216 0.545     323.167     370.000       7.374   48 
-     90000       18000.00      35.680       1.664      37.344   6.53 0.000 1.000 0.212 0.859     323.707     370.000       8.230   48 
-    100000       20000.00      35.804      16.338      52.142   7.95 0.071 0.667 0.136 0.517     324.833     370.000      11.661   48 
-    110000       22000.00      38.735      -0.261      38.475   7.17 0.000 1.000 0.432 0.492     351.427     370.000       7.451   48 
-    120000       24000.00      36.215       5.843      42.058   9.48 0.143 0.000 0.159 1.167     328.565     370.000      12.419   48 
-    130000       26000.00      34.173      13.827      48.000   5.04 0.071 0.500 0.182 0.619     310.031     370.000       8.861   48 
-    140000       28000.00      37.070      -4.496      32.573   5.83 0.000 1.000 0.136 0.458     336.315     370.000       8.308   48 
-    150000       30000.00      39.419       5.454      44.873   5.26 0.000 1.000 0.424 0.868     357.632     370.000       8.128   48 
-    160000       32000.00      36.361       8.552      44.912   5.44 0.143 0.667 0.205 0.797     329.884     370.000       8.693   48 
-    170000       34000.00      39.707       4.695      44.402   6.10 0.000 1.000 0.682 0.231     360.243     370.000       9.156   48 
-    180000       36000.00      49.792      11.366      61.157   5.40 0.071 0.800 0.373 0.303     451.737     370.000       7.869   48 
-    190000       38000.00      43.028      15.628      58.656   4.67 0.143 0.333 0.227 0.613     390.375     370.000       9.591   48 
-    200000       40000.00      40.801       3.315      44.116   6.46 0.000 1.000 0.279 0.595     370.169     370.000       8.115   48 
-    210000       42000.00      42.747      11.947      54.694   4.96 0.071 0.875 0.312 0.588     387.823     350.000       8.218   48 
-    220000       44000.00      39.167       0.885      40.051   5.79 0.071 0.750 0.182 0.307     355.343     350.000       9.524   48 
-    230000       46000.00      38.583       2.188      40.771   6.20 0.071 0.857 0.286 0.654     350.042     350.000       7.833   48 
-    240000       48000.00      37.707      -0.964      36.743   7.35 0.143 0.714 0.351 0.702     342.097     350.000       7.161   48 
-    250000       50000.00      34.993      -1.102      33.890   4.87 0.286 0.500 0.182 0.321     317.471     350.000       8.536   48 
-    260000       52000.00      32.682      -6.617      26.065   6.87 0.071 0.875 0.267 0.156     296.508     350.000       7.568   48 
-    270000       54000.00      39.003       2.828      41.831   5.96 0.143 0.714 0.260 0.640     353.854     350.000       9.046   48 
-    280000       56000.00      42.121       5.090      47.211   4.85 0.071 0.750 0.284 1.063     382.145     350.000       8.379   48 
-    290000       58000.00      37.384      -8.916      28.468   5.50 0.071 0.875 0.295 1.084     339.168     350.000       8.242   48 
-    300000       60000.00      35.164       0.451      35.615   6.21 0.214 0.769 0.241 0.686     319.026     350.000       8.315   48 
-    310000       62000.00      41.691      -3.100      38.591   5.34 0.000 1.000 0.295 0.457     378.239     340.000       8.496   48 
-    320000       64000.00      31.188      -5.681      25.507   3.70 0.071 0.875 0.250 0.546     282.949     340.000       7.838   48 
-    330000       66000.00      37.349     -12.372      24.977   6.68 0.071 0.909 0.273 0.259     338.852     340.000       8.038   48 
-    340000       68000.00      29.259     -15.466      13.793   3.27 0.357 0.615 0.276 0.990     265.455     340.000       6.906   48 
-    350000       70000.00      33.548       6.917      40.465   6.15 0.143 0.500 0.148 1.224     304.368     340.000       9.394   48 
-    360000       72000.00      40.891      10.554      51.445   5.39 0.000 1.000 0.170 0.684     370.984     340.000       9.531   48 
-    370000       74000.00      38.017      -1.866      36.151   5.88 0.357 0.583 0.489 0.431     344.906     340.000       7.229   48 
-    380000       76000.00      31.538      -9.517      22.021   5.51 0.143 0.714 0.221 1.054     286.125     340.000       8.056   48 
-    390000       78000.00      40.121      -6.916      33.205   5.58 0.071 0.667 0.212 0.629     363.996     340.000       8.397   48 
-    400000       80000.00      34.433       3.947      38.380   6.18 0.071 0.500 0.409 0.965     312.396     340.000       7.674   48 
-    410000       82000.00      41.469       7.883      49.351   6.87 0.071 0.800 0.173 0.344     376.224     340.000       9.687   48 
-    420000       84000.00      34.733      -6.494      28.239   5.39 0.000 1.000 0.341 0.292     315.114     340.000       7.714   48 
-    430000       86000.00      34.134       1.575      35.708   6.91 0.143 0.818 0.248 0.523     309.677     340.000       7.601   48 
-    440000       88000.00      32.441      -0.300      32.141   6.98 0.214 0.500 0.174 0.508     294.322     340.000      10.605   48 
-    450000       90000.00      33.826       0.669      34.495   7.57 0.071 0.857 0.234 0.480     306.886     340.000       9.042   48 
-    460000       92000.00      37.719       2.469      40.188   7.17 0.071 0.750 0.193 0.448     342.209     340.000       9.223   48 
-    470000       94000.00      34.557       3.625      38.182   7.07 0.000 1.000 0.205 0.754     313.520     340.000      10.458   48 
-    480000       96000.00      35.633     -16.676      18.956   4.73 0.071 0.875 0.330 0.509     323.278     340.000       7.423   48 
-    490000       98000.00      27.885      -2.515      25.370   6.18 0.071 0.800 0.209 0.958     252.988     340.000       9.126   48 
-    500000      100000.00      32.958      -1.985      30.973   5.45 0.000 1.000 0.324 0.859     299.013     340.000       7.461   48 
-    510000      102000.00      36.509     -12.831      23.678   5.81 0.143 0.818 0.351 0.839     331.228     350.000       7.582   48 
-    520000      104000.00      36.966      -7.669      29.297   7.48 0.143 0.714 0.169 0.354     335.376     350.000       8.054   48 
-    530000      106000.00      27.433      -3.176      24.258   4.15 0.143 0.800 0.223 0.433     248.889     350.000       7.094   48 
-    540000      108000.00      32.224       4.127      36.351   6.01 0.143 0.778 0.323 0.926     292.351     350.000       8.527   48 
-    550000      110000.00      35.719       7.423      43.142   5.64 0.143 0.500 0.170 0.893     324.060     350.000       8.908   48 
-    560000      112000.00      34.251      12.227      46.478   4.06 0.071 0.750 0.375 0.672     310.741     350.000       7.246   48 
-    570000      114000.00      39.678      -8.090      31.588   7.38 0.143 0.818 0.339 0.512     359.982     350.000       7.497   48 
-    580000      116000.00      32.962      -6.868      26.094   5.90 0.071 0.800 0.336 1.188     299.046     350.000       8.132   48 
-    590000      118000.00      41.391      -3.346      38.044   5.34 0.214 0.500 0.348 0.412     375.517     350.000       7.568   48 
-    600000      120000.00      33.009       2.001      35.010   3.50 0.286 0.600 0.350 1.175     299.478     350.000       7.865   48 
-    610000      122000.00      32.081     -11.771      20.310   3.14 0.357 0.375 0.188 0.199     291.056     340.000       7.697   48 
-    620000      124000.00      38.905      -5.798      33.108   5.79 0.143 0.818 0.376 0.682     352.971     340.000       6.809   48 
-    630000      126000.00      39.762      -8.489      31.273   4.14 0.000 1.000 0.295 0.622     360.738     340.000       7.101   48 
-    640000      128000.00      32.982      -6.870      26.113   5.63 0.143 0.600 0.200 0.220     299.234     340.000       8.559   48 
-    650000      130000.00      35.595       7.710      43.305   4.60 0.000 1.000 0.477 0.255     322.932     340.000       8.427   48 
-    660000      132000.00      30.970     -10.350      20.619   3.81 0.286 0.556 0.308 1.474     280.974     340.000       7.501   48 
-    670000      134000.00      41.311     -15.052      26.260   3.97 0.143 0.750 0.386 0.661     374.799     340.000       7.615   48 
-    680000      136000.00      39.763      -1.136      38.627   5.72 0.214 0.750 0.258 0.684     360.747     340.000       7.505   48 
-    690000      138000.00      37.469      -5.744      31.726   3.49 0.143 0.750 0.159 0.305     339.942     340.000       8.169   48 
-    700000      140000.00      38.920      -1.770      37.150   5.86 0.071 0.500 0.295 0.302     353.104     340.000       8.913   48 
-    710000      142000.00      38.400      -3.793      34.608   5.83 0.000 1.000 0.239 0.390     348.388     330.000       8.968   48 
-    720000      144000.00      32.297     -12.038      20.259   3.68 0.143 0.667 0.280 0.583     293.011     330.000       7.645   48 
-    730000      146000.00      38.872      -8.221      30.650   3.91 0.214 0.700 0.364 0.520     352.665     330.000       7.142   48 
-    740000      148000.00      36.290      -7.317      28.972   4.33 0.214 0.727 0.240 0.387     329.240     330.000       7.803   48 
-    750000      150000.00      31.656      -3.443      28.213   6.17 0.143 0.818 0.202 0.807     287.199     330.000       8.820   48 
-    760000      152000.00      33.055       5.642      38.697   6.13 0.143 0.667 0.220 0.841     299.888     330.000       9.257   48 
-    770000      154000.00      36.317      -5.645      30.672   5.67 0.000 1.000 0.500 0.610     329.485     330.000       6.703   48 
-    780000      156000.00      31.515      -2.463      29.051   4.79 0.071 0.889 0.374 0.251     285.917     330.000       7.547   48 
-    790000      158000.00      31.040      -9.669      21.372   3.32 0.214 0.700 0.205 1.029     281.612     330.000       7.453   48 
-    800000      160000.00      26.739      -3.814      22.924   3.35 0.071 0.833 0.220 0.431     242.587     330.000       7.270   48 
-    810000      162000.00      31.487      -9.056      22.432   4.87 0.143 0.750 0.216 0.443     285.670     320.000       7.449   48 
-    820000      164000.00      36.328      -9.190      27.138   4.09 0.071 0.800 0.191 0.851     329.587     320.000       7.930   48 
-    830000      166000.00      29.687     -22.040       7.647   2.60 0.286 0.500 0.273 0.554     269.335     320.000       7.215   48 
-    840000      168000.00      25.629     -13.499      12.130   4.00 0.143 0.867 0.436 1.703     232.516     320.000       6.487   48 
-    850000      170000.00      27.939     -16.393      11.547   4.25 0.286 0.636 0.256 0.757     253.481     320.000       6.917   48 
-    860000      172000.00      33.608     -10.519      23.089   4.67 0.143 0.800 0.314 1.067     304.907     320.000       6.910   48 
-    870000      174000.00      40.384      -6.859      33.526   4.41 0.214 0.786 0.286 0.774     366.387     320.000       7.138   48 
-    880000      176000.00      25.250      -1.686      23.563   6.39 0.143 0.667 0.212 1.152     229.079     320.000       8.566   48 
-    890000      178000.00      32.801     -23.608       9.193   5.04 0.071 0.889 0.177 0.294     297.586     320.000       8.237   48 
-    900000      180000.00      35.554      -2.144      33.410   5.87 0.214 0.750 0.208 1.006     322.561     320.000       7.332   48 
-    910000      182000.00      40.876       2.298      43.175   7.75 0.143 0.818 0.240 0.304     370.849     340.000       8.003   48 
-    920000      184000.00      36.537      -9.927      26.610   4.58 0.214 0.625 0.307 0.484     331.480     340.000       7.331   48 
-    930000      186000.00      35.493      -7.301      28.192   3.78 0.071 0.889 0.455 1.271     322.010     340.000       7.135   48 
-    940000      188000.00      29.698      -2.588      27.111   5.50 0.071 0.833 0.371 0.837     269.439     340.000       7.839   48 
-    950000      190000.00      43.131      -0.693      42.438   4.96 0.214 0.625 0.199 0.686     391.309     340.000       7.750   48 
-    960000      192000.00      31.065      -1.714      29.351   5.80 0.000 1.000 0.398 0.198     281.842     340.000       7.784   48 
-    970000      194000.00      50.866      -3.687      47.178   5.70 0.000 1.000 0.487 0.233     461.479     340.000       8.358   48 
-    980000      196000.00      38.929      -1.315      37.614   4.28 0.143 0.714 0.455 1.066     353.181     340.000       8.037   48 
-    990000      198000.00      40.124      -6.359      33.765   4.53 0.214 0.625 0.216 0.435     364.025     340.000       6.992   48 
-   1000000      200000.00      38.458     -11.421      27.037   4.05 0.214 0.750 0.223 0.555     348.914     340.000       7.152   48 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB049.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB049.stat
deleted file mode 100644
index 99553a6..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB049.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      29.716     112.930     142.646  12.87 0.000   NaN   NaN 4.850     269.596     370.000      15.552   49 
-     10000        2000.00      36.521       5.891      42.412   6.88 0.000 1.000 0.279 0.920     331.336     370.000       8.786   49 
-     20000        4000.00      39.856       2.512      42.369   4.82 0.143 0.667 0.432 1.269     361.599     370.000       8.314   49 
-     30000        6000.00      39.855       6.136      45.991   6.28 0.071 0.750 0.170 0.362     361.588     370.000       8.820   49 
-     40000        8000.00      42.513      10.775      53.288   7.02 0.143 0.667 0.197 0.313     385.701     370.000       8.565   49 
-     50000       10000.00      38.629      10.959      49.587   4.87 0.143 0.667 0.295 0.983     350.459     370.000       7.473   49 
-     60000       12000.00      43.620       4.385      48.005   6.85 0.071 0.750 0.216 0.368     395.744     370.000       9.105   49 
-     70000       14000.00      41.635       4.971      46.606   5.17 0.000 1.000 0.295 0.990     377.736     370.000       8.795   49 
-     80000       16000.00      45.475       9.955      55.429   7.69 0.143 0.714 0.344 0.407     412.570     370.000       8.575   49 
-     90000       18000.00      31.227      -2.123      29.104   6.77 0.143 0.500 0.182 0.659     283.310     370.000       9.580   49 
-    100000       20000.00      38.211       9.070      47.282   7.61 0.000 1.000 0.288 1.150     346.673     370.000      10.212   49 
-    110000       22000.00      36.583      12.324      48.907   9.80 0.071 0.500 0.159 0.291     331.896     370.000      13.176   49 
-    120000       24000.00      41.456       2.436      43.892   9.71 0.000   NaN   NaN 0.459     376.106     370.000      12.565   49 
-    130000       26000.00      35.313       3.213      38.525   6.98 0.071 0.750 0.170 1.183     320.374     370.000      10.117   49 
-    140000       28000.00      52.785       6.202      58.988   4.70 0.071 0.750 0.273 0.895     478.896     370.000       8.271   49 
-    150000       30000.00      42.966       6.970      49.936   4.41 0.071 0.833 0.197 0.364     389.810     370.000       7.735   49 
-    160000       32000.00      34.403       1.222      35.625   5.22 0.071 0.857 0.383 0.286     312.125     370.000       8.697   49 
-    170000       34000.00      39.464      -3.001      36.463   4.15 0.071 0.875 0.205 0.458     358.035     370.000       7.366   49 
-    180000       36000.00      37.579      16.642      54.222   5.05 0.000 1.000 0.568 0.574     340.941     370.000       8.856   49 
-    190000       38000.00      36.576      11.630      48.206   5.40 0.000 1.000 0.182 1.001     331.839     370.000       9.627   49 
-    200000       40000.00      34.779       3.122      37.901   5.49 0.143 0.750 0.415 0.676     315.529     370.000       7.367   49 
-    210000       42000.00      48.266      10.797      59.064   5.97 0.071 0.750 0.205 0.576     437.898     370.000       8.379   49 
-    220000       44000.00      34.046       3.039      37.086   4.06 0.000 1.000 0.424 0.687     308.887     370.000       7.742   49 
-    230000       46000.00      47.842       6.126      53.969   5.18 0.143 0.750 0.284 0.593     434.051     370.000       7.678   49 
-    240000       48000.00      38.265       8.391      46.656   6.10 0.143 0.778 0.263 0.482     347.159     370.000       8.471   49 
-    250000       50000.00      37.933       4.651      42.585   6.56 0.071 0.800 0.200 0.979     344.151     370.000       7.645   49 
-    260000       52000.00      41.458      10.628      52.086   5.08 0.000 1.000 0.455 0.344     376.132     370.000       8.189   49 
-    270000       54000.00      42.401      20.505      62.906   6.98 0.071 0.667 0.212 0.964     384.686     370.000      10.730   49 
-    280000       56000.00      47.114       6.504      53.618   5.87 0.000 1.000 0.227 0.607     427.441     370.000       8.589   49 
-    290000       58000.00      32.981      13.682      46.663   5.89 0.143 0.600 0.382 0.285     299.224     370.000       8.094   49 
-    300000       60000.00      45.077       2.827      47.904   8.09 0.000 1.000 0.356 0.894     408.957     370.000       9.270   49 
-    310000       62000.00      38.415       3.433      41.848   6.04 0.071 0.000 0.136 1.072     348.522     360.000       8.786   49 
-    320000       64000.00      36.520       4.717      41.237   4.94 0.071 0.857 0.247 0.377     331.326     360.000       8.682   49 
-    330000       66000.00      32.078      -6.510      25.569   5.49 0.000 1.000 0.364 0.486     291.030     360.000       8.551   49 
-    340000       68000.00      28.300      12.667      40.967   6.16 0.071 0.500 0.159 0.253     256.753     360.000       9.128   49 
-    350000       70000.00      43.313       9.201      52.515   7.56 0.000 1.000 0.386 0.549     392.961     360.000       7.662   49 
-    360000       72000.00      38.374       9.230      47.604   7.31 0.071 0.500 0.159 0.445     348.149     360.000      10.878   49 
-    370000       74000.00      49.836       6.104      55.940   8.46 0.000 1.000 0.159 0.647     452.137     360.000      10.497   49 
-    380000       76000.00      34.218       6.164      40.382   6.69 0.143 0.714 0.221 0.516     310.442     360.000       8.117   49 
-    390000       78000.00      38.355       6.607      44.962   6.21 0.143 0.600 0.209 0.757     347.976     360.000       8.361   49 
-    400000       80000.00      31.226      16.167      47.393   8.99 0.000   NaN   NaN 0.540     283.301     360.000      12.273   49 
-    410000       82000.00      38.833      10.607      49.440  10.86 0.000 1.000 0.136 0.671     352.309     400.000      13.878   49 
-    420000       84000.00      36.264      13.666      49.930   7.54 0.000 1.000 0.182 0.739     329.008     400.000       9.567   49 
-    430000       86000.00      47.710      15.459      63.169   5.01 0.071 0.800 0.391 0.485     432.853     400.000       8.326   49 
-    440000       88000.00      35.694       3.673      39.366   6.06 0.143 0.750 0.267 0.434     323.830     400.000       7.750   49 
-    450000       90000.00      45.383      14.051      59.434   5.11 0.000 1.000 0.159 0.274     411.738     400.000       9.772   49 
-    460000       92000.00      34.346      11.728      46.074   6.13 0.000 1.000 0.273 0.395     311.603     400.000       8.359   49 
-    470000       94000.00      41.290      15.939      57.229   6.57 0.143 0.500 0.148 0.439     374.608     400.000       9.983   49 
-    480000       96000.00      41.499      19.316      60.816   7.39 0.000 1.000 0.136 0.457     376.505     400.000      11.287   49 
-    490000       98000.00      44.561      20.250      64.811   7.04 0.071 0.000 0.136 1.203     404.279     400.000      11.241   49 
-    500000      100000.00      46.335      15.422      61.758   5.83 0.071 0.667 0.348 0.401     420.376     400.000       7.613   49 
-    510000      102000.00      41.350      21.208      62.558   6.91 0.143 0.600 0.191 0.550     375.152     400.000       8.500   49 
-    520000      104000.00      44.211      17.938      62.150   8.33 0.000 1.000 0.227 0.750     401.107     400.000      12.411   49 
-    530000      106000.00      39.160      13.634      52.794   6.15 0.071 0.857 0.396 0.582     355.279     400.000       8.656   49 
-    540000      108000.00      41.392      18.217      59.609   8.77 0.071 0.000 0.136 0.596     375.531     400.000      12.502   49 
-    550000      110000.00      44.903      13.641      58.544   6.00 0.143 0.500 0.159 0.491     407.382     400.000      10.271   49 
-    560000      112000.00      55.575       3.949      59.523   5.58 0.071 0.667 0.591 1.934     504.202     400.000       7.807   49 
-    570000      114000.00      40.114      11.352      51.466   4.11 0.357 0.500 0.395 0.226     363.939     400.000       8.409   49 
-    580000      116000.00      54.662      17.525      72.187   5.37 0.071 0.000 0.182 0.587     495.923     400.000       8.763   49 
-    590000      118000.00      54.826       6.134      60.960   6.70 0.143 0.667 0.174 1.032     497.408     400.000       9.642   49 
-    600000      120000.00      43.223       9.251      52.474   5.64 0.000 1.000 0.500 0.492     392.144     400.000       7.934   49 
-    610000      122000.00      43.806      14.429      58.235   7.73 0.000 1.000 0.205 0.490     397.428     400.000      11.433   49 
-    620000      124000.00      37.502      20.038      57.540   7.67 0.000 1.000 0.250 0.935     340.236     400.000      11.153   49 
-    630000      126000.00      44.484      32.789      77.273   7.41 0.071 0.500 0.136 1.257     403.584     400.000      11.356   49 
-    640000      128000.00      35.136      12.634      47.770   9.15 0.071 0.667 0.152 0.894     318.770     400.000      11.982   49 
-    650000      130000.00      44.547      16.418      60.966   5.08 0.000 1.000 0.591 0.798     404.157     400.000       7.476   49 
-    660000      132000.00      46.558       8.918      55.476   5.67 0.071 0.833 0.379 1.052     422.395     400.000       9.274   49 
-    670000      134000.00      37.109      14.147      51.256   7.18 0.071 0.750 0.227 0.350     336.672     400.000       9.852   49 
-    680000      136000.00      39.835      18.192      58.027   7.41 0.000 1.000 0.242 1.008     361.407     400.000      10.232   49 
-    690000      138000.00      46.964       1.116      48.080   5.96 0.000 1.000 0.159 0.312     426.080     400.000       8.419   49 
-    700000      140000.00      45.455       8.122      53.577   7.47 0.143 0.500 0.148 0.305     412.395     400.000       9.871   49 
-    710000      142000.00      48.318       6.724      55.042   5.30 0.214 0.250 0.250 0.822     438.361     400.000       8.941   49 
-    720000      144000.00      34.609      13.116      47.725   8.12 0.143 0.667 0.288 0.226     313.988     400.000       9.741   49 
-    730000      146000.00      45.427       9.116      54.542   6.85 0.000 1.000 0.268 0.925     412.134     400.000       8.002   49 
-    740000      148000.00      29.491      11.202      40.693   5.73 0.071 0.750 0.466 0.413     267.559     400.000       8.066   49 
-    750000      150000.00      37.483       7.623      45.106   4.96 0.000 1.000 0.216 0.694     340.062     400.000      10.075   49 
-    760000      152000.00      37.778      25.060      62.837   7.41 0.000   NaN   NaN 0.574     342.737     400.000      11.172   49 
-    770000      154000.00      35.437       9.202      44.639   5.55 0.000 1.000 0.136 1.165     321.504     400.000       9.975   49 
-    780000      156000.00      55.450      18.296      73.746   5.63 0.000 1.000 0.303 1.974     503.071     400.000       8.895   49 
-    790000      158000.00      37.231      10.766      47.997   6.68 0.071 0.800 0.436 0.257     337.778     400.000       8.243   49 
-    800000      160000.00      37.198      11.921      49.119   9.22 0.000   NaN   NaN 0.872     337.483     400.000      11.630   49 
-    810000      162000.00      46.983      11.939      58.923   5.95 0.071 0.500 0.136 0.526     426.257     400.000      10.157   49 
-    820000      164000.00      37.230      12.435      49.665   5.85 0.071 0.667 0.182 0.908     337.772     400.000      10.076   49 
-    830000      166000.00      39.440      11.634      51.074   8.62 0.000 1.000 0.182 0.665     357.817     400.000      12.638   49 
-    840000      168000.00      49.658      17.642      67.299   6.99 0.000 1.000 0.364 0.910     450.522     400.000       9.516   49 
-    850000      170000.00      42.205       4.474      46.679   8.47 0.000 1.000 0.182 0.236     382.908     400.000      12.581   49 
-    860000      172000.00      44.053      17.010      61.063   5.58 0.143 0.857 0.386 0.816     399.671     400.000       6.958   49 
-    870000      174000.00      35.521      11.689      47.211   9.76 0.000   NaN   NaN 0.173     322.266     400.000      13.386   49 
-    880000      176000.00      41.573      12.460      54.033   7.52 0.071 0.800 0.282 0.450     377.173     400.000      10.084   49 
-    890000      178000.00      45.853      11.490      57.343   7.10 0.000 1.000 0.136 0.908     416.004     400.000      10.567   49 
-    900000      180000.00      36.798      13.693      50.491   5.16 0.000 1.000 0.167 0.377     333.847     400.000       9.617   49 
-    910000      182000.00      38.716      19.662      58.378   8.09 0.071 0.667 0.212 0.403     351.254     400.000      10.783   49 
-    920000      184000.00      37.655      19.353      57.008   5.77 0.000 1.000 0.227 0.889     341.623     400.000       8.826   49 
-    930000      186000.00      34.108       7.025      41.132   5.00 0.071 0.667 0.227 0.097     309.441     400.000       7.178   49 
-    940000      188000.00      40.477      20.477      60.954   7.91 0.000   NaN   NaN 0.371     367.227     400.000      12.149   49 
-    950000      190000.00      41.662      11.022      52.684  10.41 0.000   NaN   NaN 0.979     377.981     400.000      14.085   49 
-    960000      192000.00      35.506      28.534      64.039   5.47 0.000 1.000 0.500 0.973     322.127     400.000       8.491   49 
-    970000      194000.00      39.258      23.448      62.706   6.05 0.143 0.600 0.182 0.415     356.166     400.000       8.037   49 
-    980000      196000.00      40.728       8.240      48.968   4.72 0.000 1.000 0.182 0.553     369.505     400.000       9.272   49 
-    990000      198000.00      47.166      -1.670      45.496   4.74 0.214 0.700 0.336 0.240     427.917     400.000       7.661   49 
-   1000000      200000.00      40.592      12.048      52.639   5.89 0.071 0.857 0.506 0.754     368.267     400.000       7.832   49 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB050.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB050.stat
deleted file mode 100644
index e51821e..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB050.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      30.214     112.930     143.144  12.87 0.000   NaN   NaN 4.850     274.121     370.000      15.552   50 
-     10000        2000.00      42.402       6.196      48.598   4.45 0.071 0.800 0.255 0.594     384.691     370.000       7.241   50 
-     20000        4000.00      42.836       8.559      51.395   4.54 0.071 0.750 0.216 0.863     388.632     370.000       7.830   50 
-     30000        6000.00      44.829      -5.194      39.636   3.77 0.143 0.778 0.247 1.237     406.715     370.000       7.786   50 
-     40000        8000.00      36.103      10.971      47.074   5.72 0.071 0.833 0.341 0.655     327.543     370.000       8.208   50 
-     50000       10000.00      42.219       2.025      44.244   7.64 0.071 0.750 0.205 0.646     383.028     370.000      10.155   50 
-     60000       12000.00      35.703       4.058      39.760   5.19 0.143 0.667 0.220 0.933     323.915     370.000       7.625   50 
-     70000       14000.00      27.294      14.062      41.356   5.06 0.000 1.000 0.375 1.114     247.626     370.000       8.229   50 
-     80000       16000.00      36.009      11.835      47.844   5.48 0.143 0.500 0.250 0.555     326.693     370.000      10.426   50 
-     90000       18000.00      47.168       8.277      55.445   6.18 0.143 0.000 0.136 0.762     427.931     370.000      10.497   50 
-    100000       20000.00      42.784       5.478      48.261   5.84 0.071 0.500 0.227 0.341     388.156     370.000      10.344   50 
-    110000       22000.00      36.351      15.013      51.364   7.00 0.071 0.833 0.265 0.528     329.800     360.000       9.838   50 
-    120000       24000.00      42.216       2.019      44.235   8.13 0.143 0.500 0.148 0.433     383.004     360.000      10.772   50 
-    130000       26000.00      39.141       7.032      46.173   5.07 0.071 0.833 0.417 0.529     355.106     360.000       7.732   50 
-    140000       28000.00      47.411      12.536      59.948   6.72 0.071 0.875 0.381 1.637     430.140     360.000       7.618   50 
-    150000       30000.00      41.993       2.347      44.341   6.02 0.000 1.000 0.205 0.334     380.985     360.000      10.064   50 
-    160000       32000.00      41.146       3.134      44.280   8.69 0.000 1.000 0.182 0.454     373.301     360.000      11.221   50 
-    170000       34000.00      30.486      -3.742      26.744   4.88 0.071 0.833 0.402 0.857     276.588     360.000       7.409   50 
-    180000       36000.00      45.255       2.906      48.161   4.29 0.071 0.667 0.167 0.410     410.580     360.000       8.743   50 
-    190000       38000.00      38.654      13.609      52.263   4.47 0.214 0.500 0.500 0.715     350.685     360.000       8.631   50 
-    200000       40000.00      42.197       5.082      47.280   6.89 0.000 1.000 0.236 0.447     382.834     360.000       8.560   50 
-    210000       42000.00      33.324      -0.144      33.181   6.89 0.143 0.667 0.280 1.135     302.336     340.000       7.895   50 
-    220000       44000.00      25.896     -11.859      14.037   4.97 0.143 0.750 0.369 0.557     234.939     340.000       7.233   50 
-    230000       46000.00      29.559       7.334      36.893   5.18 0.071 0.750 0.341 0.608     268.177     340.000       8.274   50 
-    240000       48000.00      33.914      -2.582      31.332   6.34 0.071 0.000 0.136 0.789     307.688     340.000       9.768   50 
-    250000       50000.00      29.527      -6.005      23.522   4.78 0.000 1.000 0.292 0.760     267.887     340.000       7.609   50 
-    260000       52000.00      35.186      -7.282      27.904   4.10 0.071 0.875 0.290 0.243     319.227     340.000       7.196   50 
-    270000       54000.00      28.884      -5.856      23.028   4.78 0.000 1.000 0.306 0.325     262.047     340.000       7.769   50 
-    280000       56000.00      32.132      -6.632      25.499   6.09 0.071 0.833 0.227 0.242     291.514     340.000       8.960   50 
-    290000       58000.00      31.775      -8.462      23.313   4.39 0.071 0.900 0.355 0.514     288.281     340.000       6.975   50 
-    300000       60000.00      46.871       1.429      48.300   6.12 0.143 0.750 0.188 0.598     425.241     340.000       8.703   50 
-    310000       62000.00      32.933      -8.792      24.141   4.86 0.143 0.500 0.148 0.823     298.785     330.000       8.774   50 
-    320000       64000.00      39.515      -1.575      37.940   3.59 0.286 0.429 0.169 1.003     358.500     330.000       7.860   50 
-    330000       66000.00      29.542     -16.946      12.595   5.59 0.429 0.400 0.182 0.418     268.018     330.000       9.108   50 
-    340000       68000.00      33.727       0.206      33.933   5.74 0.071 0.875 0.256 0.765     305.993     330.000       8.019   50 
-    350000       70000.00      28.251     -11.128      17.123   6.01 0.071 0.667 0.197 0.437     256.307     330.000       9.211   50 
-    360000       72000.00      35.332      -8.478      26.854   4.53 0.071 0.909 0.248 0.369     320.554     330.000       7.480   50 
-    370000       74000.00      40.944      -7.233      33.711   3.80 0.143 0.600 0.318 1.054     371.467     330.000       7.710   50 
-    380000       76000.00      35.921      -5.795      30.125   4.93 0.214 0.700 0.405 0.896     325.891     330.000       7.628   50 
-    390000       78000.00      39.440      -3.123      36.316   4.83 0.143 0.778 0.263 0.803     357.818     330.000       7.862   50 
-    400000       80000.00      38.233      -5.618      32.615   6.10 0.143 0.714 0.201 0.067     346.870     330.000       9.055   50 
-    410000       82000.00      41.127       2.781      43.908   6.58 0.071 0.857 0.325 0.303     373.128     350.000       7.849   50 
-    420000       84000.00      34.648       3.423      38.071   6.05 0.143 0.600 0.227 0.407     314.344     350.000       8.573   50 
-    430000       86000.00      32.085       5.201      37.287   6.46 0.071 0.833 0.205 0.700     291.094     350.000       7.912   50 
-    440000       88000.00      27.381       3.794      31.174   5.80 0.000 1.000 0.227 0.310     248.411     350.000       9.051   50 
-    450000       90000.00      35.290       5.895      41.185   4.82 0.071 0.750 0.170 0.243     320.165     350.000       9.278   50 
-    460000       92000.00      41.413       0.611      42.024   3.89 0.214 0.250 0.182 0.563     375.716     350.000       8.621   50 
-    470000       94000.00      35.242      10.409      45.651   5.53 0.000 1.000 0.250 0.269     319.737     350.000       8.965   50 
-    480000       96000.00      40.163      -6.631      33.532   6.94 0.071 0.909 0.269 0.678     364.382     350.000       7.821   50 
-    490000       98000.00      27.030      -3.243      23.786   4.26 0.143 0.750 0.176 0.278     245.230     350.000       7.288   50 
-    500000      100000.00      43.442       5.049      48.491   6.19 0.000 1.000 0.295 0.729     394.124     350.000       9.778   50 
-    510000      102000.00      37.096      -4.134      32.962   3.59 0.286 0.333 0.197 0.693     336.556     340.000       8.158   50 
-    520000      104000.00      34.181      -8.157      26.024   5.21 0.071 0.800 0.400 0.754     310.106     340.000       7.401   50 
-    530000      106000.00      26.798     -12.089      14.708   4.51 0.143 0.750 0.273 0.384     243.122     340.000       6.642   50 
-    540000      108000.00      34.682       8.677      43.359   6.22 0.000 1.000 0.205 0.148     314.650     340.000       9.437   50 
-    550000      110000.00      33.683      -4.169      29.514   6.12 0.143 0.667 0.341 0.544     305.593     340.000       7.409   50 
-    560000      112000.00      36.018       9.325      45.344   5.38 0.143 0.667 0.227 1.146     326.777     340.000       8.059   50 
-    570000      114000.00      28.416       5.256      33.672   6.16 0.143 0.818 0.269 0.297     257.802     340.000       7.686   50 
-    580000      116000.00      37.337      -7.697      29.640   4.11 0.143 0.778 0.258 0.604     338.744     340.000       7.542   50 
-    590000      118000.00      33.269     -17.360      15.908   3.12 0.357 0.643 0.451 0.284     301.830     340.000       6.647   50 
-    600000      120000.00      41.130      -2.981      38.149   5.92 0.071 0.833 0.402 0.714     373.153     340.000       7.461   50 
-    610000      122000.00      34.215       5.041      39.256   5.32 0.071 0.667 0.227 0.475     310.414     370.000       8.916   50 
-    620000      124000.00      33.767      10.120      43.887   5.52 0.071 0.750 0.295 0.440     306.352     370.000       9.064   50 
-    630000      126000.00      42.355       4.089      46.444   7.34 0.143 0.500 0.159 0.506     384.263     370.000      10.538   50 
-    640000      128000.00      40.848      -1.715      39.133   6.05 0.071 0.833 0.311 0.756     370.591     370.000       8.021   50 
-    650000      130000.00      33.931      14.161      48.092   5.91 0.000   NaN   NaN 0.378     307.836     370.000       9.900   50 
-    660000      132000.00      39.448       7.599      47.047   6.68 0.071 0.857 0.390 0.215     357.892     370.000       8.006   50 
-    670000      134000.00      32.337      -0.343      31.995   4.63 0.143 0.667 0.356 0.378     293.379     370.000       7.294   50 
-    680000      136000.00      31.185       7.954      39.139   6.62 0.071 0.800 0.273 0.904     282.925     370.000       9.549   50 
-    690000      138000.00      46.885       8.360      55.245   5.10 0.000 1.000 0.242 0.373     425.367     370.000       9.240   50 
-    700000      140000.00      32.168      11.765      43.933   5.45 0.000   NaN   NaN 0.352     291.842     370.000       9.583   50 
-    710000      142000.00      47.698       5.838      53.537   6.70 0.000 1.000 0.227 0.504     432.745     360.000       8.853   50 
-    720000      144000.00      47.718       5.451      53.169   5.24 0.143 0.800 0.318 0.852     432.921     360.000       7.589   50 
-    730000      146000.00      32.587       2.696      35.282   5.62 0.000 1.000 0.182 0.615     295.646     360.000       9.701   50 
-    740000      148000.00      37.916       9.460      47.376   6.27 0.071 0.857 0.240 0.784     343.997     360.000       9.202   50 
-    750000      150000.00      42.008      13.788      55.796   5.81 0.357 0.444 0.293 0.369     381.116     360.000       7.409   50 
-    760000      152000.00      48.542       9.025      57.567   5.56 0.000 1.000 0.279 0.722     440.400     360.000       7.300   50 
-    770000      154000.00      36.876       1.461      38.337   4.62 0.286 0.500 0.267 0.699     334.562     360.000       7.380   50 
-    780000      156000.00      40.032       1.305      41.337   6.07 0.214 0.571 0.227 0.656     363.193     360.000       8.265   50 
-    790000      158000.00      38.503      -1.171      37.332   5.02 0.286 0.636 0.281 0.229     349.323     360.000       7.723   50 
-    800000      160000.00      33.143     -15.927      17.216   6.53 0.143 0.750 0.369 0.208     300.690     360.000       7.416   50 
-    810000      162000.00      40.132       0.939      41.071   3.89 0.286 0.789 0.383 0.585     364.103     350.000       6.904   50 
-    820000      164000.00      33.654       7.833      41.487   5.76 0.071 0.875 0.244 0.859     305.325     350.000       8.908   50 
-    830000      166000.00      39.939      -0.254      39.685   5.48 0.000 1.000 0.136 0.288     362.348     350.000       9.763   50 
-    840000      168000.00      44.129       3.215      47.345   4.78 0.143 0.818 0.438 1.221     400.364     350.000       7.358   50 
-    850000      170000.00      31.911       3.754      35.665   5.34 0.000 1.000 0.485 0.540     289.510     350.000       7.798   50 
-    860000      172000.00      33.475      -0.288      33.187   4.76 0.214 0.500 0.220 0.369     303.706     350.000       9.003   50 
-    870000      174000.00      36.281       5.562      41.843   5.06 0.071 0.833 0.273 0.416     329.163     350.000       8.869   50 
-    880000      176000.00      40.880       2.133      43.013   7.94 0.000 1.000 0.205 1.017     370.882     350.000      11.237   50 
-    890000      178000.00      44.958      10.079      55.037   4.48 0.071 0.857 0.286 0.851     407.879     350.000       7.460   50 
-    900000      180000.00      39.436       6.512      45.948   5.72 0.286 0.636 0.388 0.637     357.781     350.000       7.631   50 
-    910000      182000.00      44.729      11.729      56.458   6.26 0.000 1.000 0.159 0.385     405.801     370.000      10.330   50 
-    920000      184000.00      44.067       7.697      51.764   4.76 0.071 0.800 0.391 0.746     399.799     370.000       9.262   50 
-    930000      186000.00      43.739       1.719      45.458   4.75 0.071 0.000 0.136 0.751     396.821     370.000       8.657   50 
-    940000      188000.00      34.319      -5.001      29.319   5.24 0.071 0.833 0.227 0.297     311.363     370.000       7.826   50 
-    950000      190000.00      38.980       7.461      46.441   6.24 0.000 1.000 0.424 1.125     353.650     370.000       7.062   50 
-    960000      192000.00      37.120      17.718      54.838   7.42 0.000 1.000 0.364 0.371     336.774     370.000      10.759   50 
-    970000      194000.00      42.135      17.346      59.481   4.43 0.000 1.000 0.250 0.243     382.273     370.000       8.131   50 
-    980000      196000.00      43.183       5.589      48.772   6.15 0.071 0.750 0.148 0.530     391.780     370.000       9.316   50 
-    990000      198000.00      33.663       5.040      38.703   5.49 0.071 0.833 0.470 0.500     305.410     370.000       7.699   50 
-   1000000      200000.00      30.988      -3.885      27.103   3.52 0.143 0.714 0.383 0.315     281.140     370.000       7.810   50 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB051.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB051.stat
deleted file mode 100644
index 4e30bc6..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB051.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      44.790     112.930     157.720  12.87 0.000   NaN   NaN 4.850     406.359     370.000      15.552   51 
-     10000        2000.00      33.776       8.210      41.985   6.48 0.143 0.500 0.182 0.314     306.432     370.000       8.896   51 
-     20000        4000.00      34.324       7.637      41.961   4.21 0.214 0.400 0.473 0.254     311.403     370.000       8.074   51 
-     30000        6000.00      42.007       4.204      46.211   5.05 0.214 0.571 0.474 0.884     381.106     370.000       8.790   51 
-     40000        8000.00      36.720       7.652      44.372   6.63 0.071 0.750 0.364 0.465     333.147     370.000       8.816   51 
-     50000       10000.00      39.933      14.772      54.704   9.14 0.143 0.000 0.136 0.600     362.292     370.000      13.172   51 
-     60000       12000.00      34.506       6.906      41.412   7.13 0.143 0.500 0.250 0.335     313.052     370.000       7.783   51 
-     70000       14000.00      47.002       3.302      50.304   4.62 0.286 0.500 0.244 0.670     426.429     370.000       7.409   51 
-     80000       16000.00      40.547      12.022      52.570   4.54 0.143 0.600 0.436 0.869     367.867     370.000       7.850   51 
-     90000       18000.00      46.351       5.581      51.933   5.85 0.071 0.750 0.170 0.487     420.521     370.000       8.685   51 
-    100000       20000.00      34.567       4.483      39.050   5.18 0.214 0.571 0.273 0.554     313.613     370.000       7.480   51 
-    110000       22000.00      32.252      -6.004      26.248   7.36 0.143 0.800 0.182 0.459     292.605     340.000       8.885   51 
-    120000       24000.00      27.549       1.339      28.888   4.60 0.071 0.857 0.461 0.430     249.938     340.000       7.622   51 
-    130000       26000.00      32.355       1.711      34.065   8.26 0.357 0.167 0.167 0.350     293.537     340.000      11.349   51 
-    140000       28000.00      41.944       4.600      46.544   6.02 0.214 0.667 0.172 0.407     380.537     340.000       8.111   51 
-    150000       30000.00      38.355      -6.073      32.282   5.76 0.214 0.667 0.253 0.682     347.973     340.000       8.639   51 
-    160000       32000.00      40.460      -3.772      36.688   4.38 0.071 0.857 0.292 0.378     367.073     340.000       7.809   51 
-    170000       34000.00      36.207      -1.127      35.079   7.34 0.071 0.833 0.250 0.523     328.486     340.000       9.421   51 
-    180000       36000.00      32.182       1.010      33.193   8.68 0.000 1.000 0.136 0.661     291.976     340.000      10.372   51 
-    190000       38000.00      47.017      -0.412      46.605   4.91 0.143 0.800 0.386 0.723     426.563     340.000       7.694   51 
-    200000       40000.00      33.834       4.508      38.341   5.69 0.143 0.714 0.195 0.474     306.959     340.000       8.936   51 
-    210000       42000.00      37.695      -5.283      32.412   6.00 0.000 1.000 0.318 0.310     341.991     350.000       9.029   51 
-    220000       44000.00      41.347      -3.787      37.559   5.95 0.000 1.000 0.455 0.287     375.117     350.000       7.520   51 
-    230000       46000.00      25.935      -0.233      25.702   4.17 0.000 1.000 0.152 0.881     235.300     350.000       8.544   51 
-    240000       48000.00      23.232       9.508      32.740   5.70 0.071 0.667 0.242 0.575     210.772     350.000      10.383   51 
-    250000       50000.00      31.434      -2.467      28.967   5.22 0.143 0.750 0.165 0.444     285.183     350.000       9.108   51 
-    260000       52000.00      31.447       3.172      34.619   5.25 0.071 0.833 0.432 1.003     285.299     350.000       7.495   51 
-    270000       54000.00      37.209       3.629      40.838   5.52 0.000 1.000 0.375 0.747     337.580     350.000       9.280   51 
-    280000       56000.00      25.403       6.001      31.404   7.98 0.000 1.000 0.205 0.829     230.465     350.000      10.959   51 
-    290000       58000.00      38.056      -4.601      33.456   4.17 0.286 0.500 0.170 0.484     345.266     350.000       8.638   51 
-    300000       60000.00      32.970      -2.912      30.058   4.89 0.143 0.857 0.231 0.292     299.117     350.000       7.399   51 
-    310000       62000.00      43.594      -5.733      37.861   4.77 0.214 0.625 0.182 0.210     395.509     340.000       7.293   51 
-    320000       64000.00      36.744      -1.394      35.350   4.35 0.000 1.000 0.318 0.637     333.358     340.000       7.488   51 
-    330000       66000.00      35.395      -9.597      25.798   4.46 0.143 0.800 0.255 0.241     321.118     340.000       7.072   51 
-    340000       68000.00      30.216       1.278      31.494   4.89 0.071 0.889 0.343 0.326     274.133     340.000       8.246   51 
-    350000       70000.00      34.776      -1.322      33.454   5.48 0.286 0.500 0.460 0.290     315.510     340.000       7.367   51 
-    360000       72000.00      34.623      -0.237      34.386   4.59 0.071 0.923 0.353 0.374     314.121     340.000       6.771   51 
-    370000       74000.00      35.794      -0.515      35.280   5.66 0.214 0.727 0.240 0.277     324.744     340.000       7.928   51 
-    380000       76000.00      30.710       2.563      33.273   7.61 0.000 1.000 0.205 0.304     278.615     340.000      10.454   51 
-    390000       78000.00      36.239     -12.377      23.862   5.16 0.071 0.889 0.343 0.739     328.783     340.000       6.142   51 
-    400000       80000.00      30.473      -0.730      29.743   5.12 0.000 1.000 0.439 0.608     276.462     340.000       8.584   51 
-    410000       82000.00      33.425     -10.046      23.379   4.50 0.071 0.750 0.182 0.319     303.247     340.000       7.350   51 
-    420000       84000.00      28.564      -3.682      24.882   4.26 0.214 0.500 0.265 0.742     259.149     340.000       7.634   51 
-    430000       86000.00      32.039      -9.005      23.033   5.19 0.143 0.750 0.318 0.604     290.672     340.000       7.497   51 
-    440000       88000.00      28.169       2.717      30.886   4.09 0.214 0.250 0.170 0.694     255.560     340.000       8.053   51 
-    450000       90000.00      34.219       5.081      39.300   6.26 0.143 0.600 0.182 0.621     310.450     340.000      10.636   51 
-    460000       92000.00      30.197      -8.011      22.186   4.16 0.143 0.800 0.423 1.449     273.967     340.000       6.878   51 
-    470000       94000.00      38.937       3.093      42.030   7.47 0.000 1.000 0.291 0.488     353.259     340.000       7.182   51 
-    480000       96000.00      36.202       9.002      45.204   7.41 0.143 0.333 0.136 0.312     328.442     340.000      10.647   51 
-    490000       98000.00      38.466      -8.205      30.261   4.45 0.214 0.400 0.173 0.251     348.983     340.000       8.546   51 
-    500000      100000.00      43.013       4.657      47.670   6.96 0.071 0.667 0.227 0.454     390.238     340.000       9.990   51 
-    510000      102000.00      42.106       6.218      48.324   6.44 0.071 0.857 0.273 0.337     382.007     340.000       8.407   51 
-    520000      104000.00      33.309     -10.994      22.315   3.84 0.286 0.636 0.289 0.837     302.195     340.000       7.318   51 
-    530000      106000.00      38.997      -1.436      37.561   4.08 0.071 0.667 0.258 0.809     353.800     340.000       7.979   51 
-    540000      108000.00      40.002       2.343      42.345   5.11 0.143 0.778 0.247 0.585     362.923     340.000       7.316   51 
-    550000      110000.00      33.099      -0.899      32.200   6.83 0.071 0.857 0.247 0.561     300.290     340.000       8.019   51 
-    560000      112000.00      28.563     -10.508      18.055   6.74 0.214 0.727 0.240 0.360     259.138     340.000       7.853   51 
-    570000      114000.00      33.483      -7.190      26.292   3.46 0.214 0.667 0.237 0.409     303.772     340.000       7.615   51 
-    580000      116000.00      41.407       3.180      44.588   6.43 0.143 0.778 0.222 0.280     375.670     340.000       7.980   51 
-    590000      118000.00      41.050      -3.761      37.289   5.10 0.143 0.778 0.323 0.915     372.428     340.000       7.293   51 
-    600000      120000.00      41.449      -2.135      39.314   5.73 0.000 1.000 0.205 1.116     376.049     340.000       8.743   51 
-    610000      122000.00      35.229      -5.066      30.164   5.41 0.214 0.500 0.182 0.522     319.617     330.000       9.477   51 
-    620000      124000.00      29.482     -15.298      14.184   6.62 0.143 0.714 0.169 0.291     267.472     330.000       8.668   51 
-    630000      126000.00      44.776      -4.643      40.133   7.16 0.071 0.750 0.250 0.796     406.232     330.000       8.843   51 
-    640000      128000.00      30.871      -3.442      27.429   6.70 0.143 0.500 0.159 0.448     280.081     330.000       9.320   51 
-    650000      130000.00      33.125      -7.860      25.265   3.71 0.286 0.500 0.307 0.637     300.526     330.000       6.806   51 
-    660000      132000.00      39.714      -6.024      33.690   6.62 0.214 0.786 0.312 0.529     360.304     330.000       7.323   51 
-    670000      134000.00      30.721     -14.646      16.075   3.61 0.214 0.625 0.261 0.406     278.720     330.000       7.846   51 
-    680000      136000.00      29.251      -8.417      20.834   5.41 0.214 0.700 0.341 0.748     265.377     330.000       7.437   51 
-    690000      138000.00      30.239     -11.304      18.935   4.26 0.143 0.714 0.195 0.213     274.346     330.000       7.833   51 
-    700000      140000.00      38.260     -10.562      27.699   5.23 0.071 0.857 0.286 1.528     347.117     330.000       8.158   51 
-    710000      142000.00      35.153     -12.441      22.712   4.02 0.071 0.900 0.350 0.492     318.927     320.000       6.668   51 
-    720000      144000.00      28.357     -16.333      12.024   3.27 0.357 0.706 0.305 0.369     257.270     320.000       6.673   51 
-    730000      146000.00      37.547     -22.653      14.894   4.61 0.143 0.833 0.364 0.896     340.648     320.000       6.770   51 
-    740000      148000.00      37.639     -16.299      21.341   4.61 0.214 0.750 0.379 0.269     341.483     320.000       6.731   51 
-    750000      150000.00      27.287      -8.641      18.646   6.30 0.214 0.727 0.244 0.330     247.565     320.000       7.388   51 
-    760000      152000.00      28.476       1.030      29.506   9.68 0.000 1.000 0.136 0.560     258.347     320.000      12.061   51 
-    770000      154000.00      31.925      -8.344      23.582   3.97 0.214 0.571 0.234 0.350     289.641     320.000       7.331   51 
-    780000      156000.00      33.752      -3.071      30.681   7.55 0.357 0.375 0.148 0.628     306.215     320.000       9.135   51 
-    790000      158000.00      35.306     -19.819      15.487   4.01 0.214 0.700 0.355 0.446     320.319     320.000       7.378   51 
-    800000      160000.00      31.277      -7.533      23.744   4.77 0.286 0.500 0.347 0.250     283.759     320.000       7.514   51 
-    810000      162000.00      41.442     -15.615      25.827   3.87 0.286 0.556 0.348 0.964     375.980     320.000       6.943   51 
-    820000      164000.00      32.146     -12.777      19.369   5.14 0.143 0.778 0.338 0.830     291.648     320.000       6.859   51 
-    830000      166000.00      37.702     -11.508      26.193   4.06 0.143 0.714 0.370 0.577     342.049     320.000       6.835   51 
-    840000      168000.00      31.148     -10.686      20.462   4.58 0.286 0.667 0.239 0.891     282.591     320.000       7.384   51 
-    850000      170000.00      39.378      -2.154      37.224   4.36 0.071 0.750 0.148 0.266     357.258     320.000       7.982   51 
-    860000      172000.00      36.411      -6.613      29.798   4.81 0.214 0.400 0.382 0.529     330.341     320.000       7.852   51 
-    870000      174000.00      33.836     -15.055      18.781   3.58 0.286 0.636 0.248 0.247     306.976     320.000       6.475   51 
-    880000      176000.00      40.215      -5.004      35.211   5.50 0.071 0.889 0.348 0.577     364.850     320.000       7.122   51 
-    890000      178000.00      33.210     -19.248      13.962   5.79 0.143 0.818 0.335 0.800     301.300     320.000       7.446   51 
-    900000      180000.00      32.205      -9.863      22.342   4.74 0.000 1.000 0.220 1.231     292.178     320.000       8.171   51 
-    910000      182000.00      38.924       3.109      42.033   4.83 0.214 0.500 0.242 0.380     353.137     330.000       7.411   51 
-    920000      184000.00      34.914      -5.741      29.173   5.06 0.214 0.727 0.355 1.597     316.761     330.000       6.568   51 
-    930000      186000.00      41.151       8.815      49.966   4.49 0.071 0.750 0.216 0.577     373.341     330.000       7.804   51 
-    940000      188000.00      34.648      -7.480      27.169   4.51 0.214 0.625 0.182 0.236     314.348     330.000       7.759   51 
-    950000      190000.00      38.218     -20.873      17.345   6.56 0.071 0.900 0.264 0.518     346.730     330.000       7.959   51 
-    960000      192000.00      34.650     -17.684      16.966   3.42 0.357 0.500 0.214 0.243     314.361     330.000       7.906   51 
-    970000      194000.00      36.559      -0.038      36.521   4.07 0.071 0.833 0.174 0.827     331.683     330.000       7.003   51 
-    980000      196000.00      31.176       3.203      34.379   5.48 0.071 0.750 0.227 0.520     282.841     330.000       7.885   51 
-    990000      198000.00      41.061      -9.107      31.954   3.78 0.071 0.917 0.394 0.798     372.528     330.000       6.957   51 
-   1000000      200000.00      33.051      -2.227      30.825   7.07 0.000 1.000 0.279 1.435     299.857     330.000       7.815   51 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB052.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB052.stat
deleted file mode 100644
index d0fb94e..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB052.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      30.498     112.708     143.205  12.87 0.000   NaN   NaN 4.850     276.691     380.000      15.552   52 
-     10000        2000.00      37.515       7.136      44.650   5.28 0.000 1.000 0.364 0.515     340.353     380.000       8.807   52 
-     20000        4000.00      38.720       2.589      41.310   5.90 0.000 1.000 0.477 0.902     351.291     380.000       9.213   52 
-     30000        6000.00      35.525      15.504      51.029   8.38 0.000 1.000 0.216 0.488     322.300     380.000      11.368   52 
-     40000        8000.00      36.021       0.193      36.215   4.30 0.071 0.833 0.295 0.377     326.804     380.000       7.550   52 
-     50000       10000.00      50.157      16.374      66.531   4.72 0.143 0.500 0.193 0.701     455.047     380.000       8.583   52 
-     60000       12000.00      35.356      19.039      54.395   5.40 0.071 0.667 0.348 0.948     320.766     380.000      10.281   52 
-     70000       14000.00      32.248      -1.996      30.251   6.45 0.143 0.750 0.301 0.482     292.567     380.000       7.994   52 
-     80000       16000.00      33.633      11.155      44.788  10.32 0.071 0.500 0.136 0.428     305.138     380.000      12.750   52 
-     90000       18000.00      40.863       3.993      44.857   4.69 0.071 0.833 0.288 0.261     370.734     380.000       7.918   52 
-    100000       20000.00      43.323      12.690      56.013   5.15 0.214 0.625 0.364 0.768     393.048     380.000       8.294   52 
-    110000       22000.00      42.623       5.273      47.896   7.50 0.000 1.000 0.336 0.435     386.694     360.000      10.644   52 
-    120000       24000.00      44.342      13.543      57.885   5.56 0.000 1.000 0.250 0.676     402.292     360.000       9.658   52 
-    130000       26000.00      37.361      -0.326      37.035   6.26 0.071 0.833 0.295 0.747     338.960     360.000       8.179   52 
-    140000       28000.00      48.353       2.761      51.114   5.65 0.071 0.500 0.159 0.252     438.681     360.000      10.476   52 
-    150000       30000.00      31.902      -6.382      25.520   3.60 0.071 0.900 0.318 0.267     289.432     360.000       7.056   52 
-    160000       32000.00      48.840      10.242      59.082   5.03 0.000 1.000 0.197 0.161     443.101     360.000       9.192   52 
-    170000       34000.00      30.162       2.373      32.535   5.17 0.143 0.600 0.191 0.252     273.641     360.000       8.539   52 
-    180000       36000.00      38.509       2.654      41.163   6.56 0.143 0.000 0.182 0.643     349.374     360.000       8.367   52 
-    190000       38000.00      29.052       7.089      36.140   5.26 0.214 0.571 0.481 0.326     263.571     360.000       7.838   52 
-    200000       40000.00      33.305       9.031      42.336   5.76 0.000 1.000 0.182 0.973     302.161     360.000       7.745   52 
-    210000       42000.00      40.809      -1.287      39.521   5.02 0.286 0.333 0.447 0.475     370.239     350.000       7.757   52 
-    220000       44000.00      35.943      -3.028      32.915   7.38 0.000 1.000 0.377 0.805     326.094     350.000       7.320   52 
-    230000       46000.00      40.616      15.760      56.376   6.83 0.000   NaN   NaN 1.368     368.492     350.000      11.146   52 
-    240000       48000.00      28.407       1.531      29.938   3.24 0.286 0.429 0.299 0.871     257.724     350.000       7.970   52 
-    250000       50000.00      40.027     -10.800      29.227   5.63 0.143 0.800 0.300 0.329     363.146     350.000       7.140   52 
-    260000       52000.00      27.378       0.511      27.889   5.69 0.143 0.714 0.240 0.546     248.386     350.000       7.763   52 
-    270000       54000.00      35.840       4.619      40.458   6.40 0.143 0.750 0.256 0.540     325.154     350.000       8.253   52 
-    280000       56000.00      31.109      -4.541      26.569   6.09 0.000 1.000 0.435 0.256     282.239     350.000       7.189   52 
-    290000       58000.00      38.584       6.707      45.291   5.19 0.143 0.500 0.148 0.544     350.052     350.000       8.570   52 
-    300000       60000.00      34.215       5.837      40.051   6.03 0.000 1.000 0.182 0.338     310.414     350.000       8.971   52 
-    310000       62000.00      39.522      -1.648      37.874   5.44 0.214 0.500 0.439 0.441     358.561     350.000       7.471   52 
-    320000       64000.00      33.291     -10.025      23.265   7.03 0.143 0.667 0.159 0.896     302.030     350.000      10.103   52 
-    330000       66000.00      38.916      -6.964      31.952   5.30 0.071 0.833 0.265 0.624     353.070     350.000       8.249   52 
-    340000       68000.00      31.214       2.567      33.781   5.33 0.071 0.800 0.255 0.261     283.188     350.000       7.864   52 
-    350000       70000.00      39.449      -4.961      34.488   6.77 0.000 1.000 0.193 0.576     357.898     350.000       9.606   52 
-    360000       72000.00      39.244      -8.494      30.750   4.79 0.071 0.875 0.386 0.454     356.038     350.000       7.813   52 
-    370000       74000.00      33.381       3.074      36.455   6.15 0.214 0.750 0.246 1.069     302.849     350.000       7.551   52 
-    380000       76000.00      40.748       5.199      45.947   5.33 0.071 0.800 0.218 0.300     369.683     350.000       9.123   52 
-    390000       78000.00      31.101       0.804      31.906   7.09 0.000 1.000 0.182 0.835     282.169     350.000      10.013   52 
-    400000       80000.00      33.600       3.522      37.122   6.11 0.000 1.000 0.351 0.580     304.840     350.000       8.221   52 
-    410000       82000.00      34.871     -10.588      24.283   3.69 0.071 0.875 0.301 0.345     316.371     330.000       7.297   52 
-    420000       84000.00      44.214      -4.180      40.035   5.24 0.071 0.800 0.218 0.338     401.134     330.000       8.330   52 
-    430000       86000.00      30.876      -5.196      25.679   4.62 0.214 0.500 0.189 0.477     280.121     330.000       7.689   52 
-    440000       88000.00      41.188       3.862      45.049   6.54 0.143 0.750 0.341 0.350     373.676     330.000       7.829   52 
-    450000       90000.00      34.602      -0.905      33.697   4.48 0.071 0.750 0.375 0.959     313.928     330.000       7.978   52 
-    460000       92000.00      32.225      -9.535      22.690   5.56 0.143 0.750 0.205 0.205     292.359     330.000       7.976   52 
-    470000       94000.00      30.635      -9.601      21.034   5.73 0.143 0.714 0.188 0.553     277.939     330.000       8.895   52 
-    480000       96000.00      31.690      -9.853      21.837   2.85 0.214 0.700 0.300 0.811     287.511     330.000       7.331   52 
-    490000       98000.00      22.809      -4.208      18.601   4.42 0.071 0.500 0.159 0.280     206.936     330.000       8.284   52 
-    500000      100000.00      34.795     -15.175      19.620   4.31 0.071 0.900 0.414 0.465     315.674     330.000       7.409   52 
-    510000      102000.00      30.824      -0.953      29.871   7.45 0.071 0.750 0.182 0.649     279.651     330.000      10.540   52 
-    520000      104000.00      31.952     -17.937      14.015   3.92 0.214 0.842 0.330 0.785     289.887     330.000       6.565   52 
-    530000      106000.00      41.122     -11.729      29.393   5.27 0.214 0.727 0.463 0.310     373.082     330.000       7.309   52 
-    540000      108000.00      26.427      -1.715      24.711   5.62 0.143 0.667 0.394 0.332     239.756     330.000       7.182   52 
-    550000      110000.00      33.739      -3.521      30.218   4.16 0.214 0.571 0.253 1.269     306.100     330.000       7.252   52 
-    560000      112000.00      35.929     -10.378      25.552   4.26 0.143 0.714 0.351 0.503     325.968     330.000       7.492   52 
-    570000      114000.00      28.386      -1.331      27.055   6.14 0.143 0.600 0.191 0.989     257.533     330.000       8.991   52 
-    580000      116000.00      31.908       4.595      36.503   7.78 0.071 0.500 0.136 0.355     289.490     330.000      10.213   52 
-    590000      118000.00      33.918     -18.036      15.882   3.72 0.357 0.545 0.194 0.815     307.721     330.000       7.425   52 
-    600000      120000.00      26.090      -4.316      21.774   6.01 0.214 0.769 0.273 0.329     236.700     330.000       7.559   52 
-    610000      122000.00      33.559      -7.087      26.471   6.46 0.143 0.333 0.136 1.039     304.461     330.000       9.772   52 
-    620000      124000.00      30.229     -17.287      12.942   3.59 0.286 0.636 0.223 0.423     274.253     330.000       7.032   52 
-    630000      126000.00      31.611     -11.109      20.502   6.36 0.071 0.750 0.182 0.359     286.795     330.000      10.291   52 
-    640000      128000.00      35.079      -4.492      30.587   4.00 0.214 0.500 0.159 0.141     318.257     330.000       8.580   52 
-    650000      130000.00      45.398      -6.661      38.737   6.60 0.143 0.800 0.277 0.485     411.873     330.000       6.827   52 
-    660000      132000.00      33.927       5.727      39.654   3.63 0.286 0.500 0.301 0.688     307.802     330.000       7.797   52 
-    670000      134000.00      33.143      -7.360      25.783   4.33 0.143 0.750 0.210 0.459     300.692     330.000       8.182   52 
-    680000      136000.00      30.022     -10.272      19.750   5.02 0.071 0.889 0.268 0.478     272.379     330.000       7.589   52 
-    690000      138000.00      32.838       0.678      33.516   5.07 0.143 0.600 0.164 0.318     297.920     330.000       8.851   52 
-    700000      140000.00      31.578       6.441      38.019   4.23 0.214 0.571 0.279 0.338     286.491     330.000       8.081   52 
-    710000      142000.00      36.914       7.546      44.459   4.75 0.000 1.000 0.205 1.229     334.899     380.000       8.597   52 
-    720000      144000.00      46.776      -8.062      38.715   4.98 0.143 0.778 0.217 1.332     424.378     380.000       7.701   52 
-    730000      146000.00      37.491       9.051      46.543  10.80 0.000 1.000 0.136 0.505     340.139     380.000      14.544   52 
-    740000      148000.00      41.319      -2.929      38.390   6.31 0.000 1.000 0.514 0.941     374.868     380.000       7.710   52 
-    750000      150000.00      43.629      14.184      57.813   6.24 0.000 1.000 0.418 0.808     395.824     380.000      10.083   52 
-    760000      152000.00      42.449       0.829      43.278   4.00 0.071 0.750 0.239 0.844     385.120     380.000       8.550   52 
-    770000      154000.00      38.547      13.395      51.942   9.19 0.000 1.000 0.159 1.038     349.721     380.000      13.334   52 
-    780000      156000.00      41.322      15.526      56.848   6.42 0.071 0.000 0.136 0.318     374.894     380.000       9.469   52 
-    790000      158000.00      30.132       7.134      37.266   7.30 0.071 0.800 0.200 0.842     273.375     380.000       8.700   52 
-    800000      160000.00      41.979      12.767      54.746   5.55 0.143 0.778 0.409 0.287     380.855     380.000       8.589   52 
-    810000      162000.00      32.562       9.104      41.666   6.56 0.071 0.800 0.218 0.388     295.419     370.000       9.515   52 
-    820000      164000.00      35.856       3.404      39.260   9.37 0.143 0.000 0.159 0.239     325.302     370.000      13.065   52 
-    830000      166000.00      29.524       9.398      38.923   5.65 0.143 0.800 0.341 0.386     267.859     370.000       6.976   52 
-    840000      168000.00      31.907      10.237      42.144   5.33 0.071 0.500 0.273 1.140     289.475     370.000       8.092   52 
-    850000      170000.00      33.413      -2.800      30.612   6.47 0.000 1.000 0.447 0.609     303.139     370.000       7.812   52 
-    860000      172000.00      38.630       9.266      47.896   6.63 0.214 0.625 0.222 0.356     350.469     370.000       8.958   52 
-    870000      174000.00      44.431       5.174      49.606   6.70 0.000 1.000 0.182 0.554     403.104     370.000       9.771   52 
-    880000      176000.00      27.682      11.382      39.064   6.68 0.143 0.667 0.167 0.700     251.148     370.000       8.806   52 
-    890000      178000.00      37.527       9.455      46.983   5.77 0.000   NaN   NaN 0.304     340.467     370.000      10.262   52 
-    900000      180000.00      31.651       5.263      36.914   8.99 0.000 1.000 0.136 0.519     287.153     370.000      12.578   52 
-    910000      182000.00      35.732      13.289      49.021   6.16 0.071 0.667 0.152 0.845     324.175     370.000       9.765   52 
-    920000      184000.00      34.653      15.772      50.425   5.35 0.143 0.667 0.205 0.251     314.388     370.000       9.187   52 
-    930000      186000.00      35.631       7.667      43.298   6.25 0.071 0.750 0.182 1.013     323.264     370.000       9.097   52 
-    940000      188000.00      42.658       1.458      44.116   5.06 0.143 0.800 0.427 0.906     387.012     370.000       6.971   52 
-    950000      190000.00      33.612       8.442      42.054   5.83 0.143 0.778 0.258 0.232     304.946     370.000       7.230   52 
-    960000      192000.00      35.646      14.472      50.117  10.45 0.143 0.000 0.136 0.295     323.395     370.000      13.422   52 
-    970000      194000.00      38.878       3.263      42.141   5.07 0.143 0.600 0.400 0.253     352.725     370.000       8.447   52 
-    980000      196000.00      38.233       7.946      46.178   7.09 0.071 0.833 0.258 0.743     346.867     370.000       9.189   52 
-    990000      198000.00      28.175      10.469      38.644   5.00 0.071 0.875 0.426 0.760     255.617     370.000       7.618   52 
-   1000000      200000.00      44.098      12.980      57.077   8.21 0.143 0.600 0.164 0.527     400.079     370.000      10.983   52 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB053.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB053.stat
deleted file mode 100644
index 982ec02..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB053.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      43.514     112.708     156.222  12.87 0.000   NaN   NaN 4.850     394.782     380.000      15.552   53 
-     10000        2000.00      42.514       7.038      49.552   7.46 0.071 0.800 0.327 1.275     385.711     380.000       8.795   53 
-     20000        4000.00      30.645       7.499      38.143   6.88 0.071 0.750 0.193 0.590     278.023     380.000      10.251   53 
-     30000        6000.00      46.281      15.035      61.316   5.75 0.071 0.500 0.159 0.344     419.882     380.000       9.809   53 
-     40000        8000.00      47.503      12.203      59.707   6.78 0.143 0.500 0.227 0.770     430.973     380.000       9.190   53 
-     50000       10000.00      39.911      10.198      50.109   5.74 0.143 0.600 0.255 0.283     362.094     380.000       7.256   53 
-     60000       12000.00      44.725       5.015      49.740   5.22 0.071 0.667 0.152 1.162     405.765     380.000       8.092   53 
-     70000       14000.00      39.352      19.714      59.066   6.48 0.000 1.000 0.341 0.192     357.024     380.000       9.016   53 
-     80000       16000.00      35.759       7.344      43.104   5.50 0.143 0.000 0.136 0.459     324.427     380.000      10.146   53 
-     90000       18000.00      37.777      12.852      50.629   6.57 0.071 0.750 0.205 0.904     342.731     380.000       9.195   53 
-    100000       20000.00      39.895      10.379      50.275   5.02 0.143 0.600 0.364 0.620     361.949     380.000       7.698   53 
-    110000       22000.00      32.070      13.041      45.111   5.13 0.071 0.667 0.333 0.677     290.955     380.000       7.632   53 
-    120000       24000.00      29.944       9.542      39.486   4.01 0.000 1.000 0.409 0.173     271.667     380.000       8.229   53 
-    130000       26000.00      46.071      17.352      63.423   5.50 0.000 1.000 0.173 0.355     417.978     380.000       9.510   53 
-    140000       28000.00      42.764      12.438      55.201   9.44 0.000   NaN   NaN 0.477     387.974     380.000      11.181   53 
-    150000       30000.00      27.659      12.740      40.399   5.58 0.000 1.000 0.227 0.683     250.938     380.000       9.369   53 
-    160000       32000.00      32.127       5.936      38.062   6.36 0.071 0.667 0.152 0.334     291.470     380.000      10.554   53 
-    170000       34000.00      41.686       9.312      50.998   6.06 0.071 0.800 0.455 0.761     378.198     380.000       8.720   53 
-    180000       36000.00      47.017      17.677      64.694   5.68 0.143 0.667 0.250 0.941     426.565     380.000       8.592   53 
-    190000       38000.00      34.985      14.618      49.604   7.06 0.143 0.600 0.145 0.169     317.403     380.000      10.989   53 
-    200000       40000.00      32.168      14.282      46.450   8.59 0.071 0.800 0.236 0.414     291.842     380.000      11.366   53 
-    210000       42000.00      30.088       0.603      30.691   4.54 0.143 0.750 0.386 0.337     272.971     370.000       8.045   53 
-    220000       44000.00      40.480      11.867      52.347   6.41 0.071 0.857 0.325 0.434     367.259     370.000       7.257   53 
-    230000       46000.00      43.396       1.093      44.489   7.33 0.143 0.714 0.188 0.587     393.709     370.000       9.587   53 
-    240000       48000.00      37.273       4.945      42.218   6.19 0.071 0.667 0.227 0.360     338.164     370.000       9.807   53 
-    250000       50000.00      32.252       8.673      40.925   7.63 0.000 1.000 0.182 0.299     292.609     370.000      10.305   53 
-    260000       52000.00      40.722      14.630      55.352   4.74 0.000 1.000 0.409 0.930     369.454     370.000       8.988   53 
-    270000       54000.00      41.451       2.455      43.906   4.44 0.000 1.000 0.205 0.328     376.068     370.000       8.017   53 
-    280000       56000.00      34.069      11.083      45.151   5.75 0.143 0.778 0.187 1.334     309.088     370.000       8.770   53 
-    290000       58000.00      37.132      10.444      47.575   7.03 0.000 1.000 0.455 0.506     336.877     370.000       7.656   53 
-    300000       60000.00      39.956       5.753      45.708   6.18 0.000 1.000 0.212 0.250     362.497     370.000       9.992   53 
-    310000       62000.00      31.990       5.686      37.676   5.75 0.071 0.833 0.303 0.475     290.230     370.000       9.011   53 
-    320000       64000.00      32.836      12.828      45.664   7.60 0.000   NaN   NaN 0.227     297.909     370.000      12.321   53 
-    330000       66000.00      34.220      12.882      47.103   6.71 0.071 0.875 0.409 0.399     310.465     370.000       8.002   53 
-    340000       68000.00      48.596      11.258      59.853   6.57 0.143 0.500 0.170 1.597     440.885     370.000       9.865   53 
-    350000       70000.00      46.221      13.329      59.550   5.80 0.071 0.500 0.205 0.248     419.337     370.000       9.500   53 
-    360000       72000.00      36.398      12.411      48.808   5.25 0.071 0.667 0.152 0.402     330.217     370.000       9.957   53 
-    370000       74000.00      42.256      -5.617      36.639   4.35 0.214 0.571 0.175 0.219     383.365     370.000       7.724   53 
-    380000       76000.00      43.304      15.171      58.475   8.05 0.071 0.000 0.136 0.679     392.879     370.000      11.763   53 
-    390000       78000.00      38.549       8.973      47.522   5.83 0.143 0.000 0.182 0.278     349.734     370.000       9.274   53 
-    400000       80000.00      38.282      17.208      55.490   7.47 0.000 1.000 0.273 0.824     347.316     370.000      11.313   53 
-    410000       82000.00      35.349      16.372      51.721   7.41 0.143 0.333 0.152 0.559     320.704     360.000       8.943   53 
-    420000       84000.00      38.371       8.957      47.327   6.09 0.071 0.857 0.344 0.671     348.117     360.000       7.579   53 
-    430000       86000.00      37.889       6.883      44.773   5.77 0.000 1.000 0.530 0.608     343.753     360.000       9.069   53 
-    440000       88000.00      37.578       7.630      45.209   4.53 0.143 0.667 0.485 0.432     340.929     360.000       8.337   53 
-    450000       90000.00      39.279      -0.937      38.343   6.78 0.000 1.000 0.373 0.842     356.363     360.000       9.354   53 
-    460000       92000.00      26.543       6.352      32.895   6.58 0.143 0.833 0.352 0.254     240.812     360.000       7.889   53 
-    470000       94000.00      34.577      -0.574      34.003   7.10 0.071 0.800 0.191 0.898     313.699     360.000       8.955   53 
-    480000       96000.00      47.840      -8.395      39.445   3.98 0.071 0.857 0.377 0.270     434.033     360.000       8.282   53 
-    490000       98000.00      39.817      -8.602      31.215   6.09 0.071 0.833 0.258 0.933     361.236     360.000       7.236   53 
-    500000      100000.00      36.559      11.665      48.223   5.23 0.000 1.000 0.273 0.758     331.679     360.000       9.131   53 
-    510000      102000.00      39.309       8.592      47.901   6.61 0.143 0.667 0.242 1.388     356.632     390.000       9.942   53 
-    520000      104000.00      42.790       6.649      49.439   4.85 0.143 0.333 0.152 0.387     388.217     390.000       8.553   53 
-    530000      106000.00      35.586       6.128      41.715   7.25 0.071 0.500 0.205 0.169     322.858     390.000       9.449   53 
-    540000      108000.00      35.549       2.324      37.874   5.76 0.071 0.833 0.288 0.279     322.519     390.000       8.045   53 
-    550000      110000.00      39.794      20.247      60.042   6.88 0.000   NaN   NaN 0.515     361.036     390.000      10.593   53 
-    560000      112000.00      33.987       1.579      35.566   4.57 0.143 0.600 0.355 0.363     308.349     390.000       7.525   53 
-    570000      114000.00      38.568      10.096      48.665   5.80 0.071 0.800 0.418 0.966     349.912     390.000       8.962   53 
-    580000      116000.00      32.538       9.598      42.136   4.74 0.214 0.400 0.264 0.654     295.201     390.000       7.585   53 
-    590000      118000.00      39.606      14.384      53.991   8.27 0.143 0.500 0.159 1.503     359.330     390.000      11.160   53 
-    600000      120000.00      46.450       5.027      51.477   5.27 0.071 0.500 0.159 0.558     421.420     390.000       8.829   53 
-    610000      122000.00      41.277      15.789      57.066   9.03 0.071 0.000 0.136 0.615     374.488     380.000      12.227   53 
-    620000      124000.00      36.507       6.443      42.950   6.29 0.071 0.500 0.182 0.370     331.210     380.000      10.870   53 
-    630000      126000.00      40.390      15.464      55.854   6.66 0.143 0.000 0.341 0.922     366.439     380.000      10.058   53 
-    640000      128000.00      40.702      13.015      53.717   6.17 0.000 1.000 0.291 0.806     369.268     380.000       8.353   53 
-    650000      130000.00      31.904      14.189      46.093   7.09 0.000 1.000 0.136 0.576     289.448     380.000      10.915   53 
-    660000      132000.00      33.006      12.826      45.832   7.65 0.000 1.000 0.260 0.603     299.445     380.000       9.661   53 
-    670000      134000.00      28.716      10.527      39.243   7.87 0.143 0.600 0.200 0.565     260.527     380.000      11.044   53 
-    680000      136000.00      35.253      10.554      45.806   8.18 0.071 0.667 0.197 0.580     319.829     380.000       9.888   53 
-    690000      138000.00      40.913      -4.726      36.187   5.54 0.071 0.833 0.250 0.541     371.182     380.000       8.167   53 
-    700000      140000.00      34.693      18.467      53.161   6.62 0.071 0.800 0.191 0.887     314.756     380.000      10.660   53 
-    710000      142000.00      36.200       9.433      45.633   6.14 0.143 0.750 0.267 0.314     328.425     370.000       8.372   53 
-    720000      144000.00      33.137       3.685      36.821   4.45 0.000 1.000 0.167 0.850     300.632     370.000       8.354   53 
-    730000      146000.00      36.009       4.165      40.174   5.13 0.143 0.600 0.536 1.205     326.695     370.000       7.918   53 
-    740000      148000.00      43.080      13.242      56.323   5.75 0.143 0.600 0.336 0.253     390.847     370.000       7.951   53 
-    750000      150000.00      40.333       8.968      49.302   6.44 0.071 0.833 0.288 0.544     365.923     370.000       8.179   53 
-    760000      152000.00      39.530       0.048      39.579   7.33 0.143 0.750 0.335 1.424     358.639     370.000       7.004   53 
-    770000      154000.00      28.492       7.712      36.203   7.42 0.000 1.000 0.345 0.309     258.492     370.000       8.824   53 
-    780000      156000.00      35.888       3.330      39.217   3.38 0.214 0.786 0.292 0.358     325.590     370.000       6.779   53 
-    790000      158000.00      33.385       8.123      41.507   5.09 0.214 0.400 0.209 1.121     302.882     370.000       8.187   53 
-    800000      160000.00      36.574      18.766      55.340   4.65 0.000 1.000 0.170 0.511     331.815     370.000       9.165   53 
-    810000      162000.00      53.148       2.512      55.660   5.96 0.071 0.889 0.313 0.799     482.187     370.000       7.420   53 
-    820000      164000.00      33.181      11.963      45.145   8.68 0.000 1.000 0.273 1.016     301.037     370.000      12.343   53 
-    830000      166000.00      40.106      -1.443      38.663   7.47 0.071 0.800 0.236 1.196     363.864     370.000      11.117   53 
-    840000      168000.00      36.277      -5.583      30.694   6.04 0.071 0.500 0.136 1.060     329.122     370.000       9.060   53 
-    850000      170000.00      24.855       6.580      31.435   4.87 0.000 1.000 0.212 0.999     225.494     370.000       8.801   53 
-    860000      172000.00      35.391       6.616      42.007   5.63 0.143 0.667 0.371 0.531     321.084     370.000       7.375   53 
-    870000      174000.00      28.593       6.260      34.852   4.80 0.214 0.571 0.266 0.289     259.407     370.000       7.780   53 
-    880000      176000.00      27.710      10.848      38.558   8.87 0.000   NaN   NaN 0.672     251.397     370.000      12.212   53 
-    890000      178000.00      35.273      10.545      45.817   7.51 0.214 0.400 0.200 0.205     320.012     370.000      10.157   53 
-    900000      180000.00      33.800       3.495      37.295   4.54 0.143 0.600 0.227 0.256     306.655     370.000       8.578   53 
-    910000      182000.00      44.870      -1.659      43.212   4.43 0.286 0.333 0.288 1.109     407.085     360.000       7.994   53 
-    920000      184000.00      32.651       7.858      40.508   9.33 0.071 0.667 0.152 0.172     296.222     360.000      11.879   53 
-    930000      186000.00      30.500       3.586      34.086   6.49 0.000 1.000 0.212 0.593     276.714     360.000       8.303   53 
-    940000      188000.00      34.852      -1.871      32.981   6.95 0.071 0.800 0.182 0.816     316.198     360.000      11.077   53 
-    950000      190000.00      39.217       3.764      42.981   5.80 0.071 0.800 0.173 0.313     355.796     360.000       9.746   53 
-    960000      192000.00      34.273      11.556      45.828   6.25 0.000 1.000 0.568 0.439     310.941     360.000       7.643   53 
-    970000      194000.00      32.964      -2.439      30.525   4.30 0.214 0.750 0.356 0.456     299.066     360.000       7.361   53 
-    980000      196000.00      34.443       7.309      41.753   7.24 0.071 0.750 0.205 0.457     312.489     360.000       8.705   53 
-    990000      198000.00      42.787      18.675      61.462   6.85 0.000 1.000 0.239 0.557     388.182     360.000      10.001   53 
-   1000000      200000.00      26.919       8.109      35.028   7.28 0.071 0.667 0.273 0.433     244.225     360.000       8.615   53 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB054.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB054.stat
deleted file mode 100644
index ac3b0c8..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB054.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      51.227     112.708     163.935  12.87 0.000   NaN   NaN 4.850     464.758     380.000      15.552   54 
-     10000        2000.00      36.093       9.175      45.268   5.69 0.000 1.000 0.212 0.597     327.455     380.000       8.844   54 
-     20000        4000.00      42.455       1.457      43.912   5.48 0.071 0.750 0.318 0.446     385.178     380.000       8.391   54 
-     30000        6000.00      37.319       8.466      45.785   6.22 0.214 0.750 0.375 0.257     338.581     380.000       7.436   54 
-     40000        8000.00      38.898       0.584      39.481   4.01 0.000 1.000 0.422 0.468     352.900     380.000       7.157   54 
-     50000       10000.00      41.172      12.499      53.671   9.28 0.143 0.500 0.170 0.448     373.535     380.000      11.752   54 
-     60000       12000.00      38.049      10.716      48.765   4.60 0.071 0.857 0.279 0.195     345.204     380.000       7.627   54 
-     70000       14000.00      34.369      13.116      47.485   6.27 0.143 0.600 0.464 0.951     311.814     380.000       7.471   54 
-     80000       16000.00      28.982      14.898      43.880   7.83 0.071 0.500 0.205 1.031     262.939     380.000      10.617   54 
-     90000       18000.00      44.621      13.762      58.383   8.88 0.071 0.500 0.182 1.362     404.826     380.000      12.684   54 
-    100000       20000.00      31.478       4.507      35.985   6.59 0.000 1.000 0.197 0.637     285.584     380.000       9.542   54 
-    110000       22000.00      31.377      13.785      45.162   9.30 0.143 0.500 0.170 0.210     284.672     370.000      11.138   54 
-    120000       24000.00      39.636       4.615      44.251   4.39 0.071 0.800 0.318 0.634     359.594     370.000       7.743   54 
-    130000       26000.00      33.208       7.685      40.893   7.89 0.071 0.800 0.200 0.670     301.277     370.000      10.583   54 
-    140000       28000.00      40.629       5.484      46.113   8.07 0.000 1.000 0.155 0.510     368.609     370.000      10.359   54 
-    150000       30000.00      43.965      -2.560      41.405   5.70 0.143 0.867 0.370 0.312     398.870     370.000       6.737   54 
-    160000       32000.00      43.136       2.757      45.893   7.67 0.071 0.667 0.152 0.952     391.355     370.000      10.722   54 
-    170000       34000.00      32.791      10.287      43.078   5.37 0.071 0.800 0.391 0.628     297.496     370.000       8.377   54 
-    180000       36000.00      37.787      -0.832      36.954   5.53 0.286 0.714 0.419 0.592     342.822     370.000       7.616   54 
-    190000       38000.00      40.897      11.101      51.998   5.97 0.071 0.800 0.209 0.797     371.036     370.000      10.058   54 
-    200000       40000.00      39.823      19.908      59.732   6.95 0.000 1.000 0.288 0.383     361.299     370.000       9.703   54 
-    210000       42000.00      45.571      19.638      65.208   4.97 0.071 0.500 0.727 0.796     413.441     400.000       7.700   54 
-    220000       44000.00      40.543      15.270      55.813   7.13 0.000 1.000 0.227 0.668     367.828     400.000      11.055   54 
-    230000       46000.00      42.018      14.909      56.928   8.13 0.143 0.000 0.136 0.474     381.213     400.000      11.713   54 
-    240000       48000.00      45.514      13.132      58.646   6.15 0.143 0.600 0.518 0.454     412.928     400.000       8.375   54 
-    250000       50000.00      38.648      19.923      58.571   6.73 0.000 1.000 0.136 0.562     350.633     400.000       9.951   54 
-    260000       52000.00      49.557      15.432      64.989   5.11 0.071 0.800 0.336 1.202     449.609     400.000       8.119   54 
-    270000       54000.00      43.467      12.830      56.297   8.36 0.000 1.000 0.218 1.184     394.352     400.000      10.311   54 
-    280000       56000.00      35.594       6.474      42.068  10.93 0.000 1.000 0.182 0.470     322.930     400.000      14.297   54 
-    290000       58000.00      37.082      12.407      49.489   7.41 0.071 0.667 0.182 0.206     336.424     400.000      10.103   54 
-    300000       60000.00      39.356      17.948      57.304   4.85 0.000 1.000 0.182 0.690     357.059     400.000       8.945   54 
-    310000       62000.00      46.654      16.876      63.530   7.98 0.000   NaN   NaN 0.747     423.272     400.000      12.543   54 
-    320000       64000.00      42.602      18.251      60.854   6.10 0.071 0.750 0.261 0.775     386.511     400.000       8.475   54 
-    330000       66000.00      36.893      11.369      48.262   7.16 0.071 0.800 0.236 0.294     334.713     400.000       7.741   54 
-    340000       68000.00      43.733      15.194      58.927   7.92 0.071 0.800 0.273 1.085     396.769     400.000       9.523   54 
-    350000       70000.00      36.130       5.522      41.651   8.13 0.000 1.000 0.159 0.469     327.789     400.000      11.698   54 
-    360000       72000.00      38.515       1.530      40.045   5.03 0.143 0.500 0.386 0.173     349.427     400.000       8.142   54 
-    370000       74000.00      42.421      15.958      58.379   5.94 0.000 1.000 0.136 0.466     384.862     400.000       8.088   54 
-    380000       76000.00      43.647      18.476      62.123   5.61 0.000   NaN   NaN 0.524     395.984     400.000       9.239   54 
-    390000       78000.00      32.556      21.431      53.986  10.20 0.000 1.000 0.227 0.689     295.362     400.000      13.525   54 
-    400000       80000.00      37.880       8.882      46.762   4.72 0.071 0.889 0.247 0.609     343.670     400.000       6.997   54 
-    410000       82000.00      32.373       9.877      42.250   6.64 0.000 1.000 0.136 0.714     293.702     380.000      10.799   54 
-    420000       84000.00      39.767       5.780      45.546   5.09 0.000 1.000 0.364 0.523     360.782     380.000       8.335   54 
-    430000       86000.00      43.819       9.322      53.141   6.33 0.071 0.500 0.250 0.099     397.548     380.000      10.711   54 
-    440000       88000.00      40.608       3.055      43.662   6.20 0.143 0.800 0.295 0.264     368.414     380.000       7.166   54 
-    450000       90000.00      36.390       8.665      45.055   6.28 0.214 0.571 0.201 0.658     330.147     380.000       7.907   54 
-    460000       92000.00      28.126       5.999      34.125   6.82 0.143 0.333 0.182 0.215     255.177     380.000      10.038   54 
-    470000       94000.00      38.837       8.679      47.516   4.89 0.286 0.000 0.261 0.233     352.350     380.000       8.283   54 
-    480000       96000.00      45.863      -0.405      45.458   3.40 0.214 0.500 0.189 0.878     416.094     380.000       7.711   54 
-    490000       98000.00      50.184       0.556      50.740   6.07 0.071 0.667 0.242 0.690     455.296     380.000       8.980   54 
-    500000      100000.00      35.201      22.426      57.627   8.04 0.286 0.429 0.182 0.580     319.359     380.000      10.368   54 
-    510000      102000.00      47.630       5.584      53.214   9.57 0.071 0.000 0.136 0.523     432.122     380.000      12.314   54 
-    520000      104000.00      37.152       9.490      46.642   5.88 0.143 0.667 0.258 0.611     337.064     380.000       7.568   54 
-    530000      106000.00      27.262      15.528      42.790   7.44 0.071 0.667 0.182 1.701     247.335     380.000      11.438   54 
-    540000      108000.00      43.655      18.510      62.165   6.00 0.000 1.000 0.159 0.377     396.060     380.000      10.489   54 
-    550000      110000.00      37.778       6.866      44.644   6.94 0.000 1.000 0.336 0.862     342.741     380.000       8.774   54 
-    560000      112000.00      34.780      18.100      52.881   5.95 0.143 0.000 0.159 1.059     315.545     380.000      10.227   54 
-    570000      114000.00      31.675      11.610      43.285   4.92 0.000 1.000 0.375 0.450     287.373     380.000       8.452   54 
-    580000      116000.00      44.187       4.432      48.620   4.40 0.143 0.333 0.152 0.499     400.889     380.000       9.024   54 
-    590000      118000.00      40.087      17.868      57.955   6.17 0.000 1.000 0.205 0.162     363.687     380.000      10.518   54 
-    600000      120000.00      44.901       3.872      48.774   6.94 0.000 1.000 0.485 0.854     407.368     380.000       7.663   54 
-    610000      122000.00      35.343       0.317      35.660   4.75 0.071 0.857 0.201 0.330     320.653     360.000       8.751   54 
-    620000      124000.00      28.270       9.966      38.236   6.62 0.143 0.600 0.173 0.186     256.479     360.000       8.592   54 
-    630000      126000.00      37.635      12.288      49.923   7.54 0.071 0.667 0.152 0.265     341.440     360.000      11.862   54 
-    640000      128000.00      33.102      10.508      43.610   5.90 0.071 0.833 0.462 0.427     300.323     360.000       8.030   54 
-    650000      130000.00      35.980       5.028      41.008   8.37 0.071 0.800 0.173 0.416     326.431     360.000      11.635   54 
-    660000      132000.00      31.377      -0.454      30.923   6.15 0.143 0.846 0.343 0.463     284.670     360.000       8.246   54 
-    670000      134000.00      39.217      11.221      50.438   7.68 0.000 1.000 0.205 0.294     355.800     360.000       9.591   54 
-    680000      136000.00      36.054      11.975      48.029   5.92 0.143 0.750 0.369 1.054     327.101     360.000       7.662   54 
-    690000      138000.00      32.577      -1.171      31.406   5.31 0.071 0.857 0.227 0.420     295.558     360.000       7.240   54 
-    700000      140000.00      43.943       7.301      51.244   7.53 0.143 0.333 0.167 0.357     398.671     360.000      11.157   54 
-    710000      142000.00      39.152      -8.293      30.859   3.87 0.143 0.750 0.278 0.283     355.207     350.000       7.742   54 
-    720000      144000.00      34.838       3.908      38.746   4.42 0.000 1.000 0.291 0.303     316.068     350.000       7.456   54 
-    730000      146000.00      41.218      -5.064      36.154   5.17 0.143 0.778 0.323 0.292     373.955     350.000       6.929   54 
-    740000      148000.00      54.903       5.511      60.414   5.96 0.071 0.667 0.212 1.053     498.112     350.000      10.384   54 
-    750000      150000.00      36.872      12.765      49.637   3.21 0.143 0.667 0.212 0.922     334.521     350.000       7.195   54 
-    760000      152000.00      50.760      -1.420      49.340   4.74 0.071 0.857 0.175 0.207     460.518     350.000       7.846   54 
-    770000      154000.00      32.975      -4.706      28.268   6.16 0.000 1.000 0.391 0.880     299.162     350.000       7.942   54 
-    780000      156000.00      34.644       4.111      38.755   7.24 0.000 1.000 0.239 0.645     314.311     350.000      10.926   54 
-    790000      158000.00      31.823      -2.861      28.962   3.96 0.286 0.500 0.165 0.674     288.714     350.000       7.867   54 
-    800000      160000.00      38.321       4.360      42.680   6.91 0.000 1.000 0.136 0.369     347.664     350.000      10.619   54 
-    810000      162000.00      35.565       3.708      39.273   5.50 0.071 0.833 0.439 0.968     322.666     350.000       7.720   54 
-    820000      164000.00      32.127      -2.680      29.447   6.74 0.071 0.500 0.159 0.318     291.474     350.000       9.168   54 
-    830000      166000.00      46.775       1.828      48.603   5.47 0.214 0.700 0.168 0.408     424.367     350.000       9.027   54 
-    840000      168000.00      30.943      10.749      41.691   5.30 0.071 0.750 0.341 0.386     280.727     350.000       8.186   54 
-    850000      170000.00      35.242       9.324      44.566   6.21 0.071 0.750 0.273 0.518     319.738     350.000       9.033   54 
-    860000      172000.00      34.369      -0.605      33.764   6.26 0.071 0.800 0.327 0.335     311.813     350.000       7.003   54 
-    870000      174000.00      37.836      -1.058      36.778   6.83 0.143 0.778 0.192 0.228     343.270     350.000       8.618   54 
-    880000      176000.00      29.693      -4.094      25.599   6.17 0.143 0.667 0.295 0.239     269.390     350.000       7.674   54 
-    890000      178000.00      33.802       7.247      41.049   6.33 0.071 0.857 0.279 0.195     306.667     350.000       8.079   54 
-    900000      180000.00      32.521      -9.784      22.737   4.50 0.143 0.846 0.378 1.420     295.049     350.000       6.993   54 
-    910000      182000.00      31.413      -3.562      27.850   6.08 0.071 0.909 0.318 0.321     284.991     330.000       7.497   54 
-    920000      184000.00      33.710      13.335      47.044   6.95 0.071 0.750 0.182 1.298     305.831     330.000       9.956   54 
-    930000      186000.00      37.005      -7.783      29.222   3.73 0.214 0.700 0.259 0.476     335.728     330.000       6.994   54 
-    940000      188000.00      29.562      -4.329      25.233   5.51 0.143 0.667 0.159 0.544     268.200     330.000       8.580   54 
-    950000      190000.00      26.022     -10.822      15.200   4.04 0.143 0.750 0.170 0.187     236.087     330.000       8.113   54 
-    960000      192000.00      22.696     -10.694      12.002   3.65 0.214 0.625 0.205 0.135     205.913     330.000       7.749   54 
-    970000      194000.00      30.413       1.794      32.208   5.62 0.071 0.909 0.240 0.841     275.923     330.000       8.122   54 
-    980000      196000.00      33.293      -5.818      27.475   8.33 0.071 0.750 0.170 1.098     302.054     330.000      10.593   54 
-    990000      198000.00      29.446      -9.683      19.763   5.26 0.143 0.750 0.182 0.585     267.149     330.000       8.373   54 
-   1000000      200000.00      48.041     -17.553      30.487   2.85 0.286 0.429 0.169 0.693     435.851     330.000       8.007   54 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB055.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB055.stat
deleted file mode 100644
index e3bdd95..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB055.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      32.334     112.708     145.042  12.87 0.000   NaN   NaN 4.850     293.349     380.000      15.552   55 
-     10000        2000.00      44.214       7.859      52.073   8.49 0.071 0.750 0.182 1.305     401.131     380.000      12.092   55 
-     20000        4000.00      30.421      11.824      42.244   6.27 0.000   NaN   NaN 0.312     275.991     380.000       9.963   55 
-     30000        6000.00      36.739       2.269      39.009   5.34 0.000 1.000 0.336 0.606     333.318     380.000       7.309   55 
-     40000        8000.00      39.740       6.066      45.806   5.67 0.143 0.500 0.182 0.466     360.540     380.000       8.615   55 
-     50000       10000.00      40.435      12.927      53.361   6.56 0.143 0.750 0.438 0.287     366.843     380.000       7.563   55 
-     60000       12000.00      53.465      12.621      66.086   6.49 0.071 0.800 0.273 0.445     485.059     380.000      10.301   55 
-     70000       14000.00      29.049      18.145      47.194   6.85 0.000 1.000 0.300 1.022     263.548     380.000       8.874   55 
-     80000       16000.00      36.026      -2.199      33.827   5.56 0.000 1.000 0.197 0.385     326.850     380.000       9.643   55 
-     90000       18000.00      41.124      10.101      51.225   8.00 0.000 1.000 0.295 0.460     373.102     380.000      10.857   55 
-    100000       20000.00      45.327       4.724      50.052   4.38 0.071 0.750 0.352 0.481     411.234     380.000       8.844   55 
-    110000       22000.00      42.428       8.911      51.339   7.86 0.000 1.000 0.318 0.616     384.926     380.000       8.919   55 
-    120000       24000.00      34.959      12.796      47.755   5.05 0.143 0.667 0.280 1.218     317.168     380.000       7.596   55 
-    130000       26000.00      28.739      18.609      47.348   5.77 0.071 0.500 0.273 1.250     260.737     380.000       8.543   55 
-    140000       28000.00      38.282       8.836      47.118   5.44 0.071 0.833 0.485 1.451     347.314     380.000       8.059   55 
-    150000       30000.00      40.465      -1.580      38.885   7.15 0.000 1.000 0.250 0.327     367.121     380.000       8.968   55 
-    160000       32000.00      36.423       8.815      45.237   5.54 0.286 0.500 0.426 0.383     330.444     380.000       7.263   55 
-    170000       34000.00      27.294       9.569      36.863   6.18 0.000 1.000 0.455 0.438     247.629     380.000       9.922   55 
-    180000       36000.00      41.768       8.917      50.684   3.71 0.143 0.600 0.282 0.439     378.939     380.000       8.392   55 
-    190000       38000.00      36.800      11.853      48.653   6.40 0.071 0.800 0.236 0.685     333.870     380.000       9.495   55 
-    200000       40000.00      33.259       9.482      42.741   6.30 0.000 1.000 0.402 0.755     301.744     380.000       8.467   55 
-    210000       42000.00      34.311       3.085      37.397   4.76 0.071 0.667 0.182 0.340     311.291     360.000       8.907   55 
-    220000       44000.00      38.361       9.676      48.037   7.20 0.143 0.600 0.200 0.392     348.031     360.000       9.577   55 
-    230000       46000.00      30.687       2.758      33.444   5.48 0.000 1.000 0.409 0.648     278.405     360.000       7.755   55 
-    240000       48000.00      43.577       5.677      49.254   6.40 0.143 0.714 0.182 0.208     395.353     360.000       8.686   55 
-    250000       50000.00      41.416       5.917      47.332   6.29 0.143 0.600 0.227 0.401     375.746     360.000       7.957   55 
-    260000       52000.00      37.573      21.724      59.297   7.02 0.071 0.750 0.205 0.986     340.881     360.000       7.557   55 
-    270000       54000.00      36.876       4.870      41.746   4.67 0.071 0.833 0.227 1.097     334.560     360.000       8.164   55 
-    280000       56000.00      34.106       4.799      38.905   6.07 0.071 0.750 0.261 0.463     309.425     360.000       9.232   55 
-    290000       58000.00      41.129      -1.364      39.765   4.63 0.071 0.900 0.332 0.919     373.145     360.000       7.484   55 
-    300000       60000.00      41.607       0.669      42.276   6.93 0.071 0.667 0.227 0.191     377.482     360.000       9.719   55 
-    310000       62000.00      39.427       5.493      44.919   7.11 0.071 0.750 0.352 0.542     357.700     400.000       8.633   55 
-    320000       64000.00      58.647      16.198      74.846   8.63 0.000 1.000 0.205 0.456     532.080     400.000      12.204   55 
-    330000       66000.00      41.097      10.864      51.961   9.51 0.000 1.000 0.273 1.220     372.849     400.000      12.359   55 
-    340000       68000.00      28.894      10.622      39.517   6.93 0.071 0.500 0.227 0.203     262.143     400.000      10.211   55 
-    350000       70000.00      41.289      10.272      51.562   6.00 0.000 1.000 0.500 0.715     374.598     400.000       8.567   55 
-    360000       72000.00      41.289       9.297      50.586   7.52 0.071 0.500 0.273 0.301     374.598     400.000      10.011   55 
-    370000       74000.00      35.497       6.549      42.047   6.06 0.071 0.500 0.159 0.573     322.051     400.000       9.145   55 
-    380000       76000.00      37.650       7.693      45.343   4.44 0.071 0.857 0.370 0.458     341.579     400.000       7.917   55 
-    390000       78000.00      39.452      14.103      53.555   5.89 0.000 1.000 0.182 0.302     357.929     400.000      10.147   55 
-    400000       80000.00      44.188      18.458      62.646  10.43 0.000   NaN   NaN 0.851     400.898     400.000      13.617   55 
-    410000       82000.00      50.670      11.524      62.193   3.79 0.143 0.600 0.491 0.897     459.701     390.000       8.032   55 
-    420000       84000.00      47.462       5.962      53.424   5.38 0.071 0.750 0.250 0.851     430.602     390.000       7.872   55 
-    430000       86000.00      40.241       7.021      47.262  12.43 0.143 0.000 0.136 0.552     365.088     390.000      15.396   55 
-    440000       88000.00      40.946      14.820      55.766   6.83 0.000   NaN   NaN 0.652     371.481     390.000      11.871   55 
-    450000       90000.00      43.649      10.942      54.591   6.44 0.000 1.000 0.136 0.864     396.010     390.000      11.095   55 
-    460000       92000.00      46.000      19.646      65.646   9.11 0.000   NaN   NaN 0.496     417.332     390.000      12.656   55 
-    470000       94000.00      42.972      16.341      59.313   5.97 0.143 0.500 0.193 0.569     389.861     390.000       8.921   55 
-    480000       96000.00      44.283      11.393      55.675   4.51 0.000 1.000 0.443 0.399     401.756     390.000       9.224   55 
-    490000       98000.00      61.251      13.230      74.481   4.39 0.143 0.778 0.227 0.608     555.698     390.000       7.803   55 
-    500000      100000.00      29.584      17.932      47.516   7.63 0.071 0.000 0.136 0.543     268.399     390.000      11.131   55 
-    510000      102000.00      52.063      11.275      63.338   8.88 0.071 0.750 0.182 0.413     472.340     400.000      11.952   55 
-    520000      104000.00      38.408      16.692      55.100  11.82 0.000   NaN   NaN 0.805     348.455     400.000      15.738   55 
-    530000      106000.00      43.182      19.408      62.590   7.94 0.000 1.000 0.152 1.022     391.770     400.000      11.884   55 
-    540000      108000.00      40.763       7.824      48.587   5.71 0.143 0.500 0.239 0.577     369.826     400.000       8.921   55 
-    550000      110000.00      48.635      18.785      67.421   6.28 0.000 1.000 0.461 0.581     441.246     400.000       7.365   55 
-    560000      112000.00      58.085      14.444      72.529   5.79 0.071 0.667 0.439 0.688     526.979     400.000       8.084   55 
-    570000      114000.00      41.044       5.576      46.619   6.09 0.143 0.750 0.415 0.198     372.371     400.000       7.081   55 
-    580000      116000.00      46.452      13.384      59.836   8.27 0.071 0.500 0.227 0.836     421.436     400.000      10.216   55 
-    590000      118000.00      45.084       5.801      50.885   3.54 0.071 0.889 0.495 0.854     409.024     400.000       7.594   55 
-    600000      120000.00      44.683       7.558      52.241   5.24 0.071 0.750 0.409 0.795     405.390     400.000       7.957   55 
-    610000      122000.00      33.398      13.267      46.665   3.87 0.143 0.600 0.491 1.190     303.006     390.000       8.056   55 
-    620000      124000.00      44.095      15.016      59.111   7.65 0.000 1.000 0.227 0.461     400.050     390.000      11.627   55 
-    630000      126000.00      41.671      10.267      51.938   4.37 0.214 0.571 0.318 0.553     378.061     390.000       7.898   55 
-    640000      128000.00      33.003      16.044      49.047   6.46 0.000 1.000 0.136 0.387     299.422     390.000      10.216   55 
-    650000      130000.00      44.666      11.921      56.587   6.02 0.071 0.800 0.373 0.420     405.236     390.000       9.020   55 
-    660000      132000.00      41.396       9.585      50.981   6.92 0.000   NaN   NaN 0.786     375.563     390.000       9.956   55 
-    670000      134000.00      41.470      14.746      56.215   4.95 0.214 0.667 0.313 0.714     376.233     390.000       8.218   55 
-    680000      136000.00      40.288      13.554      53.843   8.99 0.000 1.000 0.182 0.843     365.516     390.000      11.377   55 
-    690000      138000.00      47.176      16.079      63.256   6.11 0.143 0.714 0.247 0.383     428.008     390.000       8.424   55 
-    700000      140000.00      39.002      14.161      53.163   5.19 0.000 1.000 0.534 0.812     353.848     390.000       7.883   55 
-    710000      142000.00      41.540      16.825      58.365   9.43 0.000 1.000 0.136 0.381     376.875     390.000      12.678   55 
-    720000      144000.00      36.752       9.095      45.847   8.77 0.071 0.667 0.197 0.279     333.436     390.000      11.711   55 
-    730000      146000.00      32.881      10.735      43.616   5.57 0.071 0.800 0.255 1.258     298.315     390.000       8.343   55 
-    740000      148000.00      43.892       9.351      53.243   6.24 0.071 0.800 0.464 0.341     398.210     390.000       7.601   55 
-    750000      150000.00      33.393      13.118      46.511   4.64 0.000 1.000 0.545 0.526     302.956     390.000       8.571   55 
-    760000      152000.00      32.524      10.615      43.140   6.74 0.000 1.000 0.409 0.793     295.078     390.000       9.979   55 
-    770000      154000.00      34.153      19.135      53.288   7.56 0.000 1.000 0.386 0.388     309.854     390.000       7.498   55 
-    780000      156000.00      40.145      27.524      67.668   7.48 0.000 1.000 0.227 0.713     364.213     390.000      10.485   55 
-    790000      158000.00      35.432       4.319      39.751   6.78 0.000 1.000 0.318 0.425     321.460     390.000       8.091   55 
-    800000      160000.00      43.096       8.990      52.086   7.06 0.071 0.800 0.291 0.411     390.986     390.000       9.668   55 
-    810000      162000.00      32.662      24.804      57.466   9.50 0.071 0.000 0.136 0.202     296.331     400.000      13.115   55 
-    820000      164000.00      52.590      18.888      71.478   9.52 0.000 1.000 0.182 1.098     477.123     400.000      13.203   55 
-    830000      166000.00      52.457      11.500      63.957  10.23 0.071 0.500 0.159 0.204     475.914     400.000      12.902   55 
-    840000      168000.00      45.667      19.800      65.467   9.36 0.000   NaN   NaN 0.372     414.311     400.000      13.999   55 
-    850000      170000.00      38.381      19.956      58.337   7.04 0.071 0.667 0.167 1.529     348.212     400.000      10.672   55 
-    860000      172000.00      43.833      15.897      59.730   5.87 0.000 1.000 0.318 0.736     397.680     400.000       8.329   55 
-    870000      174000.00      39.023      14.069      53.092   6.26 0.000 1.000 0.330 0.840     354.033     400.000       7.816   55 
-    880000      176000.00      42.116      13.582      55.698   6.13 0.000   NaN   NaN 0.388     382.098     400.000       9.735   55 
-    890000      178000.00      45.779      12.233      58.012   5.77 0.071 0.857 0.357 1.118     415.331     400.000       7.737   55 
-    900000      180000.00      48.171      14.542      62.713   5.98 0.000 1.000 0.305 1.338     437.030     400.000       9.108   55 
-    910000      182000.00      44.369       7.741      52.110   8.87 0.071 0.800 0.264 0.893     402.540     400.000      11.057   55 
-    920000      184000.00      46.091       4.735      50.826   9.26 0.000 1.000 0.258 0.950     418.164     400.000      11.279   55 
-    930000      186000.00      43.287      14.688      57.976   6.51 0.071 0.750 0.159 0.973     392.725     400.000       8.089   55 
-    940000      188000.00      40.314       5.577      45.891   6.86 0.071 0.750 0.216 0.397     365.752     400.000       8.208   55 
-    950000      190000.00      35.249       8.179      43.427   4.80 0.143 0.600 0.309 0.427     319.793     400.000       7.943   55 
-    960000      192000.00      31.483      21.531      53.015   7.39 0.000 1.000 0.136 0.740     285.632     400.000      10.484   55 
-    970000      194000.00      37.943      13.589      51.532   9.03 0.000 1.000 0.167 0.915     344.240     400.000      11.344   55 
-    980000      196000.00      33.955       8.502      42.456   5.76 0.071 0.667 0.364 0.341     308.054     400.000       7.651   55 
-    990000      198000.00      42.257       9.792      52.049   7.67 0.071 0.667 0.197 0.266     383.375     400.000       9.823   55 
-   1000000      200000.00      41.049      19.616      60.665   7.88 0.071 0.500 0.159 0.326     372.417     400.000      10.603   55 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB056.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB056.stat
deleted file mode 100644
index 65d9614..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB056.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.835     112.507     153.341  12.87 0.000   NaN   NaN 4.850     370.472     390.000      15.552   56 
-     10000        2000.00      36.091      18.083      54.174   5.68 0.143 0.333 0.167 0.340     327.434     390.000       9.750   56 
-     20000        4000.00      43.756      16.742      60.498   8.85 0.000   NaN   NaN 0.262     396.980     390.000      13.113   56 
-     30000        6000.00      47.487      13.527      61.014   8.65 0.000 1.000 0.212 0.741     430.822     390.000      11.370   56 
-     40000        8000.00      45.767       4.304      50.072   5.86 0.214 0.250 0.500 0.164     415.224     390.000       8.012   56 
-     50000       10000.00      41.028       8.411      49.439   6.46 0.071 0.667 0.242 0.230     372.231     390.000       8.430   56 
-     60000       12000.00      25.873       9.957      35.830   6.29 0.000 1.000 0.485 0.612     234.737     390.000       9.979   56 
-     70000       14000.00      35.019      13.084      48.102   7.78 0.143 0.500 0.295 0.504     317.706     390.000      10.265   56 
-     80000       16000.00      41.437       1.824      43.261   4.59 0.000 1.000 0.443 0.517     375.940     390.000       8.627   56 
-     90000       18000.00      45.720      17.297      63.017   9.11 0.143 0.333 0.167 0.533     414.796     390.000      11.448   56 
-    100000       20000.00      34.045       7.265      41.310   4.43 0.071 0.750 0.273 0.250     308.876     390.000       7.926   56 
-    110000       22000.00      35.287       6.311      41.599   5.05 0.214 0.625 0.222 0.287     320.145     360.000       7.831   56 
-    120000       24000.00      45.783       0.892      46.675   6.24 0.143 0.750 0.273 0.647     415.366     360.000       8.841   56 
-    130000       26000.00      28.737      12.570      41.307   7.44 0.071 0.667 0.152 0.800     260.715     360.000      11.703   56 
-    140000       28000.00      34.765      -6.342      28.423   5.92 0.071 0.667 0.167 0.439     315.403     360.000       8.450   56 
-    150000       30000.00      29.757       4.575      34.332   6.09 0.000 1.000 0.355 1.119     269.970     360.000       7.613   56 
-    160000       32000.00      33.108       9.919      43.027   6.79 0.000 1.000 0.245 0.737     300.375     360.000       8.572   56 
-    170000       34000.00      38.485       0.519      39.004   8.22 0.000 1.000 0.409 0.506     349.158     360.000       7.687   56 
-    180000       36000.00      50.513       1.315      51.828   5.48 0.071 0.667 0.167 0.492     458.279     360.000       7.592   56 
-    190000       38000.00      41.497      11.809      53.305   9.40 0.143 0.500 0.193 0.922     376.478     360.000      12.208   56 
-    200000       40000.00      39.889      18.447      58.335   6.66 0.071 0.000 0.136 0.441     361.889     360.000      11.701   56 
-    210000       42000.00      35.388      24.386      59.774   7.44 0.071 0.500 0.136 0.173     321.055     390.000      10.670   56 
-    220000       44000.00      41.098      13.826      54.923   4.35 0.000 1.000 0.295 0.625     372.858     390.000       8.870   56 
-    230000       46000.00      38.027       6.542      44.568   6.02 0.000 1.000 0.212 0.606     344.999     390.000       8.999   56 
-    240000       48000.00      38.659      10.670      49.329   6.64 0.000 1.000 0.273 0.478     350.734     390.000       9.069   56 
-    250000       50000.00      44.905      13.332      58.237   5.90 0.000 1.000 0.191 0.463     407.402     390.000       8.241   56 
-    260000       52000.00      35.273      15.493      50.766   8.10 0.000 1.000 0.227 0.242     320.012     390.000      11.922   56 
-    270000       54000.00      34.127      10.958      45.086   5.64 0.071 0.800 0.345 0.897     309.620     390.000       8.854   56 
-    280000       56000.00      54.171      15.369      69.540   8.75 0.071 0.500 0.159 0.549     491.463     390.000      11.240   56 
-    290000       58000.00      41.042       7.220      48.262   5.71 0.071 0.667 0.212 0.268     372.354     390.000       8.281   56 
-    300000       60000.00      39.515      16.481      55.996  10.67 0.071 0.000 0.136 0.360     358.503     390.000      14.261   56 
-    310000       62000.00      46.998      15.613      62.611   5.00 0.000 1.000 0.364 0.265     426.392     370.000       8.728   56 
-    320000       64000.00      39.649       5.971      45.621   6.92 0.071 0.667 0.152 0.686     359.720     370.000       8.574   56 
-    330000       66000.00      37.381      -0.443      36.937   5.68 0.143 0.750 0.267 0.693     339.136     370.000       7.875   56 
-    340000       68000.00      41.428       5.720      47.148   6.44 0.214 0.571 0.227 0.433     375.858     370.000       9.172   56 
-    350000       70000.00      39.507      13.856      53.362   4.76 0.143 0.600 0.273 1.008     358.426     370.000       8.609   56 
-    360000       72000.00      37.098      12.737      49.834   8.67 0.071 0.667 0.167 0.662     336.570     370.000      11.437   56 
-    370000       74000.00      31.077      15.329      46.406  10.11 0.143 0.500 0.136 0.225     281.951     370.000      12.357   56 
-    380000       76000.00      33.134      21.475      54.609   6.91 0.000 1.000 0.159 0.409     300.613     370.000       9.515   56 
-    390000       78000.00      44.627      11.810      56.437   6.93 0.000 1.000 0.199 0.450     404.880     370.000       9.467   56 
-    400000       80000.00      28.594       1.213      29.808   9.04 0.071 0.667 0.197 0.336     259.423     370.000      11.575   56 
-    410000       82000.00      50.903      -5.237      45.666   6.55 0.143 0.600 0.173 0.535     461.822     350.000       9.638   56 
-    420000       84000.00      43.773      -0.103      43.670   5.96 0.214 0.400 0.182 0.447     397.130     350.000       7.758   56 
-    430000       86000.00      28.951      -4.934      24.017   7.10 0.071 0.800 0.200 0.330     262.656     350.000       8.330   56 
-    440000       88000.00      35.617      -8.340      27.277   5.41 0.000 1.000 0.216 0.330     323.135     350.000       8.048   56 
-    450000       90000.00      27.281       7.107      34.388   6.76 0.143 0.667 0.159 0.299     247.506     350.000      10.084   56 
-    460000       92000.00      29.213      -6.283      22.930   4.32 0.286 0.500 0.290 0.423     265.033     350.000       7.759   56 
-    470000       94000.00      38.059      -1.944      36.116   6.70 0.000 1.000 0.318 0.670     345.295     350.000       7.680   56 
-    480000       96000.00      39.546       0.625      40.170   6.06 0.214 0.500 0.348 0.515     358.778     350.000       7.615   56 
-    490000       98000.00      30.231      11.852      42.084   6.96 0.000 1.000 0.197 0.895     274.274     350.000       8.401   56 
-    500000      100000.00      40.728       1.113      41.840   6.70 0.000 1.000 0.369 0.403     369.502     350.000       7.404   56 
-    510000      102000.00      37.391       1.117      38.508   4.32 0.000 1.000 0.212 0.896     339.229     350.000       7.710   56 
-    520000      104000.00      32.939      -3.828      29.111   4.21 0.071 0.833 0.250 0.687     298.839     350.000       8.403   56 
-    530000      106000.00      31.521      10.648      42.169   5.57 0.071 0.750 0.170 0.778     285.973     350.000      10.291   56 
-    540000      108000.00      41.771       3.592      45.363   5.82 0.071 0.889 0.359 0.760     378.967     350.000       7.640   56 
-    550000      110000.00      41.128      10.257      51.385   9.86 0.143 0.333 0.136 0.458     373.134     350.000      13.284   56 
-    560000      112000.00      37.342      -0.611      36.731   6.95 0.000 1.000 0.212 0.352     338.782     350.000       8.374   56 
-    570000      114000.00      44.983      15.164      60.147   5.33 0.071 0.000 0.136 1.336     408.109     350.000       8.713   56 
-    580000      116000.00      35.836      15.173      51.009   6.77 0.071 0.800 0.155 0.538     325.119     350.000      10.566   56 
-    590000      118000.00      41.508       5.900      47.408   3.96 0.214 0.400 0.464 0.615     376.583     350.000       7.562   56 
-    600000      120000.00      37.139      -4.153      32.986   4.68 0.000 1.000 0.302 0.366     336.942     350.000       7.184   56 
-    610000      122000.00      25.430       4.657      30.087   5.79 0.214 0.750 0.322 0.287     230.713     350.000       7.088   56 
-    620000      124000.00      26.541      -7.558      18.983   3.77 0.214 0.727 0.372 0.467     240.793     350.000       7.330   56 
-    630000      126000.00      32.998      -2.613      30.385   5.09 0.214 0.571 0.214 0.843     299.379     350.000       7.965   56 
-    640000      128000.00      48.655       3.327      51.982   5.74 0.071 0.667 0.167 1.090     441.424     350.000       9.113   56 
-    650000      130000.00      39.800       4.304      44.104   6.32 0.071 0.750 0.170 0.410     361.085     350.000       9.642   56 
-    660000      132000.00      25.850      20.652      46.503   7.24 0.071 0.667 0.136 0.549     234.527     350.000      10.739   56 
-    670000      134000.00      42.838      -1.162      41.676   7.64 0.000 1.000 0.343 0.202     388.648     350.000       7.411   56 
-    680000      136000.00      29.987      -2.835      27.152   5.58 0.143 0.714 0.364 1.215     272.061     350.000       7.188   56 
-    690000      138000.00      47.806      13.584      61.390   5.48 0.000 1.000 0.136 0.388     433.719     350.000       9.374   56 
-    700000      140000.00      42.403      -3.698      38.705   3.89 0.286 0.333 0.348 0.169     384.702     350.000       7.366   56 
-    710000      142000.00      32.672      -0.762      31.910   7.32 0.143 0.333 0.197 0.510     296.420     350.000       9.611   56 
-    720000      144000.00      34.933      -0.870      34.062   5.15 0.000 1.000 0.302 0.315     316.927     350.000       6.614   56 
-    730000      146000.00      34.927       7.367      42.294   6.15 0.071 0.667 0.212 0.238     316.877     350.000       9.323   56 
-    740000      148000.00      40.872      -6.732      34.140   5.11 0.000 1.000 0.364 0.418     370.813     350.000       7.668   56 
-    750000      150000.00      30.820       7.754      38.574   5.62 0.071 0.500 0.182 0.726     279.611     350.000       9.784   56 
-    760000      152000.00      33.964       0.661      34.625   7.16 0.000 1.000 0.509 0.426     308.140     350.000       7.740   56 
-    770000      154000.00      40.909       9.330      50.239   9.77 0.000   NaN   NaN 0.575     371.148     350.000      13.170   56 
-    780000      156000.00      32.242       8.604      40.846   5.15 0.071 0.833 0.273 0.418     292.512     350.000       7.838   56 
-    790000      158000.00      31.470       4.292      35.761   7.68 0.071 0.833 0.265 0.629     285.510     350.000       7.153   56 
-    800000      160000.00      48.936      -0.005      48.931   5.22 0.143 0.667 0.250 0.437     443.976     350.000       7.501   56 
-    810000      162000.00      32.321       0.558      32.878   4.78 0.071 0.800 0.400 0.978     293.231     340.000       7.508   56 
-    820000      164000.00      37.082       3.516      40.598   7.71 0.071 0.500 0.136 0.436     336.426     340.000      12.232   56 
-    830000      166000.00      40.956       5.787      46.743   4.98 0.071 0.800 0.309 0.414     371.572     340.000       8.279   56 
-    840000      168000.00      37.386       6.650      44.037   5.96 0.429 0.250 0.165 0.429     339.189     340.000       9.443   56 
-    850000      170000.00      32.770       1.940      34.710   5.15 0.214 0.250 0.148 0.388     297.307     340.000       9.464   56 
-    860000      172000.00      30.238       9.241      39.479   9.35 0.000 1.000 0.227 0.845     274.335     340.000      12.118   56 
-    870000      174000.00      29.365       3.051      32.416   6.64 0.071 0.750 0.205 0.590     266.414     340.000       8.450   56 
-    880000      176000.00      34.357     -17.266      17.091   3.78 0.429 0.571 0.338 1.167     311.708     340.000       7.161   56 
-    890000      178000.00      40.477       6.226      46.703   6.60 0.000 1.000 0.273 0.273     367.230     340.000      10.150   56 
-    900000      180000.00      34.103       6.892      40.995   4.35 0.000 1.000 0.338 0.798     309.398     340.000       7.800   56 
-    910000      182000.00      36.131       8.070      44.201   6.60 0.071 0.800 0.164 0.366     327.798     350.000       9.995   56 
-    920000      184000.00      30.963      -0.942      30.021   4.74 0.071 0.833 0.402 0.492     280.917     350.000       8.723   56 
-    930000      186000.00      42.270       2.522      44.792   4.82 0.286 0.600 0.345 0.190     383.498     350.000       6.981   56 
-    940000      188000.00      36.195      10.134      46.328   7.88 0.071 0.667 0.152 0.634     328.376     350.000      10.973   56 
-    950000      190000.00      30.327      -0.723      29.604   5.13 0.071 0.875 0.301 0.478     275.147     350.000       6.869   56 
-    960000      192000.00      36.869       3.807      40.677   8.34 0.357 0.375 0.153 1.302     334.498     350.000      10.919   56 
-    970000      194000.00      32.572       6.594      39.166   7.92 0.000 1.000 0.239 0.463     295.510     350.000      10.044   56 
-    980000      196000.00      37.424       3.242      40.666   5.40 0.071 0.833 0.174 0.684     339.534     350.000       9.172   56 
-    990000      198000.00      35.472      -4.225      31.247   7.14 0.143 0.750 0.341 0.526     321.817     350.000       8.123   56 
-   1000000      200000.00      35.710      -3.238      32.472   6.51 0.071 0.875 0.256 0.408     323.980     350.000       8.188   56 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB057.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB057.stat
deleted file mode 100644
index 2021a83..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB057.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      29.383     112.507     141.890  12.87 0.000   NaN   NaN 4.850     266.578     390.000      15.552   57 
-     10000        2000.00      31.739      21.061      52.799   5.03 0.000   NaN   NaN 0.305     287.950     390.000       9.293   57 
-     20000        4000.00      38.569       2.161      40.730   4.46 0.000 1.000 0.220 0.658     349.918     390.000       8.087   57 
-     30000        6000.00      41.187       5.246      46.433   4.89 0.143 0.500 0.193 0.677     373.670     390.000       8.732   57 
-     40000        8000.00      40.155       9.516      49.671   5.81 0.071 0.800 0.300 0.516     364.308     390.000       9.021   57 
-     50000       10000.00      38.646      15.194      53.840   4.38 0.000 1.000 0.159 0.556     350.615     390.000       9.115   57 
-     60000       12000.00      28.439      10.518      38.958   5.79 0.071 0.500 0.273 0.774     258.016     390.000       8.929   57 
-     70000       14000.00      37.193      24.450      61.642   8.85 0.000 1.000 0.136 0.569     337.430     390.000      12.202   57 
-     80000       16000.00      47.847       9.833      57.680   4.96 0.143 0.600 0.318 0.842     434.097     390.000       7.905   57 
-     90000       18000.00      38.238      15.422      53.660   5.27 0.143 0.500 0.182 0.863     346.915     390.000       8.226   57 
-    100000       20000.00      46.319       7.543      53.862   4.49 0.071 0.800 0.300 1.018     420.230     390.000       8.846   57 
-    110000       22000.00      43.162       9.506      52.669   6.40 0.143 0.500 0.250 0.521     391.590     390.000       8.781   57 
-    120000       24000.00      38.441      16.076      54.517   7.00 0.000 1.000 0.227 0.504     348.755     390.000      10.946   57 
-    130000       26000.00      41.904      16.941      58.844   7.42 0.000 1.000 0.309 0.459     380.171     390.000       7.990   57 
-    140000       28000.00      35.058      15.587      50.645   6.33 0.071 0.750 0.170 0.395     318.065     390.000      10.260   57 
-    150000       30000.00      43.801       3.556      47.357   6.11 0.000 1.000 0.295 0.868     397.387     390.000       7.878   57 
-    160000       32000.00      32.653      11.801      44.454   6.57 0.071 0.857 0.370 0.514     296.243     390.000       6.990   57 
-    170000       34000.00      32.314       0.897      33.211   4.80 0.143 0.750 0.369 0.491     293.171     390.000       7.205   57 
-    180000       36000.00      49.773      10.156      59.929   6.85 0.000 1.000 0.159 0.415     451.562     390.000       9.692   57 
-    190000       38000.00      44.463      -1.039      43.424   6.98 0.143 0.750 0.261 0.474     403.395     390.000       7.143   57 
-    200000       40000.00      38.249       6.800      45.049   5.81 0.071 0.500 0.432 0.490     347.013     390.000       9.318   57 
-    210000       42000.00      49.092      12.727      61.819   8.67 0.214 0.250 0.193 0.621     445.389     380.000      10.041   57 
-    220000       44000.00      38.707      14.011      52.718   4.97 0.071 0.667 0.439 0.478     351.167     380.000       7.963   57 
-    230000       46000.00      36.331      10.885      47.216  11.12 0.000   NaN   NaN 0.576     329.615     380.000      15.015   57 
-    240000       48000.00      39.598      11.643      51.240  10.41 0.143 0.000 0.136 0.782     359.249     380.000      14.027   57 
-    250000       50000.00      43.041      -0.520      42.521   4.92 0.143 0.500 0.205 1.528     390.486     380.000       8.965   57 
-    260000       52000.00      46.571       4.385      50.956   5.82 0.143 0.750 0.415 0.502     422.514     380.000       7.683   57 
-    270000       54000.00      39.031       8.642      47.673   5.72 0.071 0.667 0.318 0.710     354.112     380.000       9.536   57 
-    280000       56000.00      41.290      16.513      57.803   6.85 0.000 1.000 0.477 0.822     374.603     380.000       8.019   57 
-    290000       58000.00      41.899       4.018      45.917   3.74 0.143 0.600 0.382 0.604     380.133     380.000       8.609   57 
-    300000       60000.00      40.440      11.461      51.901   8.71 0.071 0.000 0.136 0.173     366.894     380.000      12.251   57 
-    310000       62000.00      34.411      11.087      45.498   4.81 0.071 0.500 0.159 1.430     312.198     360.000       7.825   57 
-    320000       64000.00      44.631       5.688      50.319   6.27 0.143 0.667 0.220 0.874     404.913     360.000       9.123   57 
-    330000       66000.00      35.093      -0.474      34.619   6.60 0.214 0.571 0.162 0.847     318.382     360.000       9.469   57 
-    340000       68000.00      33.813      11.714      45.527   5.64 0.000 1.000 0.482 0.364     306.771     360.000       8.354   57 
-    350000       70000.00      35.396       2.989      38.385   5.41 0.143 0.600 0.182 0.388     321.131     360.000       8.889   57 
-    360000       72000.00      41.576      -4.054      37.523   5.04 0.143 0.778 0.399 0.332     377.202     360.000       8.521   57 
-    370000       74000.00      30.019       4.575      34.594   8.36 0.214 0.571 0.175 0.202     272.346     360.000      10.684   57 
-    380000       76000.00      41.908      -0.116      41.792   6.73 0.000 1.000 0.382 1.037     380.208     360.000       8.719   57 
-    390000       78000.00      49.138      -0.004      49.134   4.55 0.071 0.800 0.373 0.354     445.810     360.000       8.345   57 
-    400000       80000.00      31.134       1.356      32.490   5.63 0.000 1.000 0.212 0.671     282.465     360.000       8.993   57 
-    410000       82000.00      35.858      -0.648      35.210   5.27 0.000 1.000 0.500 0.260     325.321     360.000       7.609   57 
-    420000       84000.00      37.910      11.465      49.375   7.31 0.000 1.000 0.197 0.530     343.935     360.000       9.191   57 
-    430000       86000.00      41.397       3.107      44.504   4.55 0.429 0.333 0.187 0.208     375.577     360.000       8.248   57 
-    440000       88000.00      39.256       6.433      45.689   6.09 0.071 0.750 0.170 0.300     356.149     360.000       8.159   57 
-    450000       90000.00      39.332      -3.649      35.684   7.33 0.071 0.857 0.260 0.689     356.844     360.000       7.535   57 
-    460000       92000.00      44.993      12.117      57.110   5.58 0.071 0.500 0.273 0.509     408.196     360.000       8.514   57 
-    470000       94000.00      42.811       9.668      52.480   5.46 0.071 0.750 0.159 0.321     388.407     360.000       9.446   57 
-    480000       96000.00      33.275      17.818      51.093   7.44 0.000 1.000 0.136 1.057     301.892     360.000      10.140   57 
-    490000       98000.00      47.319      18.323      65.642   6.23 0.071 0.800 0.264 0.756     429.303     360.000       9.049   57 
-    500000      100000.00      35.380       6.194      41.574   6.35 0.143 0.500 0.182 0.530     320.989     360.000      10.035   57 
-    510000      102000.00      35.839      12.856      48.695   8.36 0.000 1.000 0.136 0.482     325.150     370.000      12.132   57 
-    520000      104000.00      37.135      11.959      49.094   8.65 0.000 1.000 0.250 1.018     336.912     370.000      11.575   57 
-    530000      106000.00      45.481       0.480      45.961   5.38 0.071 0.909 0.339 2.066     412.628     370.000       6.594   57 
-    540000      108000.00      37.544       9.319      46.864   8.55 0.071 0.750 0.193 0.708     340.622     370.000      11.814   57 
-    550000      110000.00      45.877      17.773      63.650   6.34 0.000 1.000 0.159 0.481     416.222     370.000       7.992   57 
-    560000      112000.00      39.635       1.676      41.311   4.72 0.143 0.667 0.402 0.442     359.589     370.000       7.574   57 
-    570000      114000.00      26.034      -3.823      22.211   5.02 0.214 0.667 0.343 0.423     236.194     370.000       7.023   57 
-    580000      116000.00      42.507      15.077      57.585   6.31 0.000 1.000 0.273 0.454     385.650     370.000      10.457   57 
-    590000      118000.00      39.589       8.125      47.714   6.82 0.071 0.800 0.245 0.241     359.169     370.000       8.720   57 
-    600000      120000.00      37.210      13.482      50.692   5.68 0.214 0.250 0.261 1.349     337.586     370.000       7.945   57 
-    610000      122000.00      41.679       6.875      48.554   6.28 0.071 0.667 0.136 0.694     378.131     350.000      10.003   57 
-    620000      124000.00      34.654       2.172      36.826   4.58 0.071 0.800 0.227 0.315     314.403     350.000       8.031   57 
-    630000      126000.00      41.408       2.257      43.665   7.40 0.071 0.667 0.152 1.296     375.672     350.000       9.695   57 
-    640000      128000.00      38.759      10.442      49.202   7.36 0.071 0.750 0.159 1.045     351.646     350.000      10.521   57 
-    650000      130000.00      42.022       6.364      48.387   5.85 0.143 0.333 0.152 0.543     381.248     350.000       8.736   57 
-    660000      132000.00      33.684      -3.230      30.454   5.19 0.000 1.000 0.227 0.194     305.599     350.000       8.004   57 
-    670000      134000.00      27.946       2.187      30.133   9.80 0.071 0.500 0.136 0.313     253.545     350.000      13.005   57 
-    680000      136000.00      33.256       8.482      41.738   8.78 0.071 0.500 0.205 0.684     301.716     350.000      10.752   57 
-    690000      138000.00      38.146      11.090      49.236   8.78 0.000 1.000 0.212 1.072     346.081     350.000      10.871   57 
-    700000      140000.00      33.251       2.450      35.701   5.34 0.071 0.833 0.235 0.518     301.670     350.000       8.261   57 
-    710000      142000.00      35.062       9.793      44.855   4.73 0.214 0.727 0.318 0.437     318.101     340.000       6.851   57 
-    720000      144000.00      34.825      -3.944      30.881   4.38 0.143 0.714 0.221 0.221     315.950     340.000       7.453   57 
-    730000      146000.00      36.789       5.824      42.612   4.66 0.143 0.000 0.136 0.773     333.764     340.000       9.180   57 
-    740000      148000.00      37.834      -5.436      32.398   4.62 0.071 0.750 0.295 0.304     343.249     340.000       7.798   57 
-    750000      150000.00      39.550      -7.485      32.065   4.57 0.071 0.889 0.439 0.633     358.821     340.000       7.421   57 
-    760000      152000.00      32.496       2.213      34.709   5.54 0.000 1.000 0.291 0.242     294.817     340.000       8.459   57 
-    770000      154000.00      29.980      -7.945      22.035   3.54 0.143 0.778 0.222 0.749     271.994     340.000       7.455   57 
-    780000      156000.00      37.993       4.830      42.823   6.45 0.071 0.833 0.220 0.612     344.692     340.000       9.616   57 
-    790000      158000.00      34.626       3.855      38.481   6.49 0.071 0.900 0.295 0.885     314.147     340.000       7.543   57 
-    800000      160000.00      30.492      -5.828      24.664   5.94 0.143 0.600 0.564 0.466     276.643     340.000       7.397   57 
-    810000      162000.00      42.078       7.066      49.143   6.24 0.071 0.750 0.205 0.472     381.752     340.000       8.438   57 
-    820000      164000.00      32.405      -2.295      30.110   4.05 0.071 0.750 0.205 1.205     293.998     340.000       7.654   57 
-    830000      166000.00      32.088       1.174      33.261   4.50 0.214 0.727 0.393 0.418     291.116     340.000       7.110   57 
-    840000      168000.00      34.548      -2.873      31.675   4.30 0.214 0.625 0.227 0.837     313.438     340.000       7.444   57 
-    850000      170000.00      34.742      -5.448      29.293   3.71 0.286 0.636 0.364 0.903     315.193     340.000       7.184   57 
-    860000      172000.00      26.570       4.323      30.893   6.10 0.071 0.833 0.318 0.733     241.059     340.000       8.093   57 
-    870000      174000.00      34.001      -4.479      29.522   6.75 0.000 1.000 0.364 0.288     308.475     340.000       8.447   57 
-    880000      176000.00      46.275       0.849      47.124   5.01 0.214 0.500 0.250 0.672     419.830     340.000       7.476   57 
-    890000      178000.00      33.280      -7.691      25.590   4.51 0.143 0.867 0.336 0.437     301.936     340.000       6.628   57 
-    900000      180000.00      39.453      -9.792      29.661   4.75 0.214 0.667 0.455 0.395     357.939     340.000       7.546   57 
-    910000      182000.00      36.674       4.629      41.303   5.65 0.071 0.889 0.495 0.952     332.724     340.000       7.935   57 
-    920000      184000.00      32.801     -12.389      20.412   4.75 0.214 0.727 0.281 0.981     297.584     340.000       6.698   57 
-    930000      186000.00      31.071      -1.100      29.971   7.02 0.143 0.750 0.233 0.536     281.889     340.000       7.752   57 
-    940000      188000.00      34.016       0.458      34.474   5.65 0.071 0.909 0.273 0.923     308.611     340.000       8.214   57 
-    950000      190000.00      29.346       4.876      34.222   8.98 0.143 0.500 0.148 0.658     266.241     340.000      11.123   57 
-    960000      192000.00      38.930     -11.139      27.791   3.91 0.429 0.500 0.254 0.175     353.189     340.000       7.033   57 
-    970000      194000.00      24.152       0.788      24.940   4.86 0.071 0.909 0.409 0.284     219.123     340.000       7.329   57 
-    980000      196000.00      28.759      -5.787      22.972   2.96 0.071 0.667 0.182 0.281     260.919     340.000       7.894   57 
-    990000      198000.00      32.566       3.612      36.179   7.48 0.071 0.500 0.136 0.640     295.459     340.000      11.049   57 
-   1000000      200000.00      43.765      -8.322      35.442   6.26 0.143 0.778 0.283 0.932     397.054     340.000       8.098   57 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB058.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB058.stat
deleted file mode 100644
index 798af55..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB058.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      46.383     112.507     158.890  12.87 0.000   NaN   NaN 4.850     420.808     390.000      15.552   58 
-     10000        2000.00      40.870       7.906      48.777   4.73 0.000 1.000 0.318 0.852     370.797     390.000       9.121   58 
-     20000        4000.00      47.581       5.710      53.291   5.76 0.357 0.583 0.326 0.840     431.680     390.000       7.348   58 
-     30000        6000.00      35.184       9.334      44.518   5.80 0.071 0.667 0.364 0.887     319.208     390.000       7.757   58 
-     40000        8000.00      42.687      -1.311      41.376   8.08 0.071 0.750 0.170 0.304     387.276     390.000       8.922   58 
-     50000       10000.00      37.847      22.264      60.111   5.08 0.000 1.000 0.318 0.394     343.364     390.000       8.643   58 
-     60000       12000.00      44.688       3.088      47.776   5.67 0.071 0.800 0.318 0.754     405.434     390.000       7.998   58 
-     70000       14000.00      43.729       6.610      50.340   4.34 0.071 0.857 0.292 0.553     396.734     390.000       8.919   58 
-     80000       16000.00      48.121      12.745      60.866   7.09 0.000 1.000 0.318 0.691     436.576     390.000      10.446   58 
-     90000       18000.00      31.624      19.159      50.782   7.74 0.000 1.000 0.182 0.276     286.906     390.000      12.265   58 
-    100000       20000.00      44.191      17.085      61.276   5.23 0.071 0.000 0.136 0.640     400.921     390.000       8.655   58 
-    110000       22000.00      39.375       1.409      40.785   6.87 0.000 1.000 0.443 0.279     357.235     390.000       8.551   58 
-    120000       24000.00      37.369       9.465      46.834   3.61 0.143 0.333 0.242 1.281     339.028     390.000       7.552   58 
-    130000       26000.00      33.786      19.884      53.670   4.83 0.000 1.000 0.159 0.802     306.523     390.000       8.688   58 
-    140000       28000.00      44.456      15.658      60.115   5.38 0.143 0.500 0.170 0.514     403.330     390.000      10.070   58 
-    150000       30000.00      30.823      17.339      48.163   8.91 0.000 1.000 0.136 0.387     279.645     390.000      11.752   58 
-    160000       32000.00      47.228      14.057      61.285  11.84 0.000   NaN   NaN 0.465     428.481     390.000      15.264   58 
-    170000       34000.00      45.621      23.396      69.017  10.12 0.000   NaN   NaN 0.797     413.898     390.000      13.246   58 
-    180000       36000.00      44.501      -0.499      44.001   7.10 0.071 0.857 0.344 0.261     403.734     390.000       7.387   58 
-    190000       38000.00      37.508       1.901      39.409   7.89 0.071 0.500 0.159 0.394     340.292     390.000      12.228   58 
-    200000       40000.00      37.676      10.316      47.992   7.68 0.000 1.000 0.273 0.606     341.818     390.000      10.154   58 
-    210000       42000.00      36.961      11.095      48.056   6.53 0.000 1.000 0.295 0.951     335.330     390.000       9.658   58 
-    220000       44000.00      39.941       9.353      49.294   6.99 0.071 0.667 0.212 0.233     362.364     390.000       8.262   58 
-    230000       46000.00      47.882       5.087      52.969   5.57 0.071 0.750 0.591 0.435     434.408     390.000       8.484   58 
-    240000       48000.00      40.760       9.790      50.550   7.97 0.000   NaN   NaN 0.388     369.795     390.000      11.783   58 
-    250000       50000.00      47.357       8.839      56.196   8.85 0.071 0.000 0.136 0.540     429.648     390.000      13.020   58 
-    260000       52000.00      46.244      11.730      57.974   8.16 0.214 0.625 0.193 0.629     419.550     390.000      11.615   58 
-    270000       54000.00      35.999       2.384      38.384   8.22 0.000 1.000 0.152 0.997     326.606     390.000      11.743   58 
-    280000       56000.00      40.150      -2.864      37.285   6.07 0.214 0.727 0.285 0.304     364.257     390.000       8.005   58 
-    290000       58000.00      35.144       6.062      41.206   7.78 0.143 0.000 0.182 0.798     318.849     390.000       9.281   58 
-    300000       60000.00      38.586      21.437      60.023   9.47 0.000   NaN   NaN 0.832     350.073     390.000      11.118   58 
-    310000       62000.00      45.491      16.846      62.336   6.39 0.071 0.500 0.159 0.807     412.713     380.000      11.134   58 
-    320000       64000.00      35.760       6.086      41.846   8.56 0.071 0.667 0.152 0.611     324.430     380.000      10.725   58 
-    330000       66000.00      37.832       4.328      42.160   3.96 0.071 0.833 0.333 1.303     343.230     380.000       7.673   58 
-    340000       68000.00      42.684       9.494      52.179   7.20 0.000   NaN   NaN 0.699     387.255     380.000       9.404   58 
-    350000       70000.00      33.734      13.959      47.693   8.22 0.071 0.500 0.159 0.653     306.052     380.000      11.076   58 
-    360000       72000.00      38.242       3.456      41.698   6.16 0.286 0.636 0.351 1.606     346.951     380.000       8.281   58 
-    370000       74000.00      28.960       7.316      36.277   6.85 0.071 0.500 0.182 0.766     262.743     380.000      10.739   58 
-    380000       76000.00      37.951      12.153      50.104   5.60 0.000 1.000 0.182 0.417     344.310     380.000       8.719   58 
-    390000       78000.00      30.816      11.246      42.062   8.17 0.071 0.667 0.152 0.274     279.577     380.000      10.697   58 
-    400000       80000.00      30.920      17.281      48.201   6.14 0.000 1.000 0.182 0.200     280.519     380.000      10.530   58 
-    410000       82000.00      34.985       2.666      37.652   9.49 0.000 1.000 0.205 0.333     317.405     370.000      12.535   58 
-    420000       84000.00      41.376      11.041      52.417   6.43 0.143 0.750 0.222 0.569     375.386     370.000       9.780   58 
-    430000       86000.00      35.642      -2.661      32.981   5.00 0.286 0.636 0.277 1.473     323.363     370.000       6.859   58 
-    440000       88000.00      39.134       6.697      45.830   6.08 0.071 0.857 0.325 0.804     355.041     370.000       8.396   58 
-    450000       90000.00      37.147      15.357      52.504   6.34 0.214 0.400 0.164 0.803     337.014     370.000      10.727   58 
-    460000       92000.00      40.604       1.934      42.538   5.19 0.214 0.625 0.210 1.039     368.380     370.000       8.473   58 
-    470000       94000.00      32.525       9.349      41.874   5.36 0.071 0.750 0.239 0.498     295.086     370.000       9.142   58 
-    480000       96000.00      33.860      17.310      51.170   5.91 0.071 0.500 0.273 0.564     307.194     370.000       8.291   58 
-    490000       98000.00      47.786      -2.024      45.762   5.59 0.000 1.000 0.445 0.423     433.542     370.000       8.212   58 
-    500000      100000.00      37.197      12.569      49.766   4.92 0.000 1.000 0.364 1.126     337.472     370.000       9.502   58 
-    510000      102000.00      35.208      -6.346      28.862   5.19 0.214 0.786 0.406 0.681     319.423     360.000       7.088   58 
-    520000      104000.00      35.440       6.649      42.089   7.62 0.071 0.667 0.227 0.715     321.528     360.000       9.357   58 
-    530000      106000.00      31.825       7.284      39.108   5.57 0.071 0.889 0.298 0.323     288.730     360.000       7.073   58 
-    540000      108000.00      37.009      -6.208      30.801   4.49 0.071 0.875 0.312 0.340     335.765     360.000       7.440   58 
-    550000      110000.00      29.819      12.240      42.059   4.91 0.071 0.667 0.212 0.595     270.531     360.000       9.153   58 
-    560000      112000.00      44.206       8.230      52.435   9.10 0.071 0.000 0.136 0.587     401.057     360.000      11.897   58 
-    570000      114000.00      35.174       6.654      41.828   8.05 0.071 0.750 0.148 1.008     319.115     360.000      10.973   58 
-    580000      116000.00      33.755      10.706      44.461   6.12 0.071 0.857 0.286 0.900     306.245     360.000       6.643   58 
-    590000      118000.00      51.395       9.751      61.146   5.63 0.071 0.900 0.332 0.550     466.285     360.000       7.257   58 
-    600000      120000.00      33.603       3.596      37.199   4.61 0.000 1.000 0.356 0.735     304.865     360.000       7.397   58 
-    610000      122000.00      41.893      11.058      52.951   7.83 0.071 0.500 0.136 0.552     380.075     390.000      11.210   58 
-    620000      124000.00      36.980      10.549      47.529   5.69 0.071 0.875 0.250 0.216     335.502     390.000       8.829   58 
-    630000      126000.00      40.916       0.924      41.840   7.85 0.143 0.500 0.205 0.366     371.214     390.000      10.156   58 
-    640000      128000.00      35.983      12.404      48.387   8.41 0.000 1.000 0.167 0.537     326.458     390.000      12.229   58 
-    650000      130000.00      39.650       7.409      47.059   6.02 0.000 1.000 0.221 0.507     359.728     390.000       8.008   58 
-    660000      132000.00      37.190      16.871      54.062   6.51 0.071 0.000 0.136 0.533     337.411     390.000      10.138   58 
-    670000      134000.00      37.309      27.053      64.362   6.64 0.071 0.000 0.136 0.435     338.487     390.000       9.290   58 
-    680000      136000.00      44.164       6.711      50.875   7.71 0.143 0.600 0.209 0.359     400.679     390.000       8.709   58 
-    690000      138000.00      42.845       4.608      47.453   6.34 0.071 0.833 0.462 0.455     388.710     390.000       7.764   58 
-    700000      140000.00      34.196       6.687      40.883   7.20 0.071 0.800 0.364 1.113     310.243     390.000       9.449   58 
-    710000      142000.00      31.642       3.455      35.097   6.73 0.071 0.800 0.418 0.618     287.074     360.000       8.029   58 
-    720000      144000.00      47.128       7.669      54.797   7.58 0.000   NaN   NaN 0.448     427.569     360.000      11.295   58 
-    730000      146000.00      37.243       5.288      42.531   5.90 0.071 0.857 0.292 0.443     337.888     360.000       7.665   58 
-    740000      148000.00      36.222       9.747      45.969   5.26 0.071 0.800 0.273 0.632     328.623     360.000       8.307   58 
-    750000      150000.00      42.508       8.080      50.589   5.43 0.071 0.750 0.159 0.246     385.658     360.000       8.760   58 
-    760000      152000.00      35.822       3.850      39.672   7.31 0.143 0.500 0.182 0.546     324.999     360.000       9.641   58 
-    770000      154000.00      30.781      -0.297      30.484   6.30 0.071 0.800 0.218 0.762     279.258     360.000       9.073   58 
-    780000      156000.00      44.467       5.186      49.653   5.58 0.000 1.000 0.273 0.597     403.424     360.000       8.079   58 
-    790000      158000.00      35.167      -0.606      34.562   4.41 0.000 1.000 0.409 0.460     319.057     360.000       7.195   58 
-    800000      160000.00      47.365      13.790      61.155   5.56 0.214 0.727 0.293 0.739     429.724     360.000       7.192   58 
-    810000      162000.00      43.790      12.872      56.662   5.14 0.071 0.857 0.338 1.408     397.283     360.000       7.684   58 
-    820000      164000.00      35.299       7.806      43.104   5.79 0.071 0.800 0.200 0.358     320.247     360.000       9.223   58 
-    830000      166000.00      35.836      -0.878      34.958   3.62 0.214 0.750 0.292 0.231     325.124     360.000       7.099   58 
-    840000      168000.00      33.023      -0.382      32.642   3.83 0.214 0.812 0.392 0.382     299.606     360.000       7.290   58 
-    850000      170000.00      33.858      12.874      46.732   6.61 0.000 1.000 0.227 0.625     307.178     360.000       7.425   58 
-    860000      172000.00      36.099       3.508      39.606   4.79 0.143 0.750 0.205 0.577     327.506     360.000       8.437   58 
-    870000      174000.00      26.088       3.233      29.321   5.54 0.143 0.600 0.227 0.156     236.680     360.000       9.301   58 
-    880000      176000.00      46.409       0.782      47.191   6.20 0.143 0.500 0.159 0.658     421.051     360.000       9.784   58 
-    890000      178000.00      32.459       3.406      35.865   6.77 0.071 0.667 0.182 0.724     294.487     360.000       8.821   58 
-    900000      180000.00      38.580      -0.481      38.098   5.54 0.071 0.909 0.269 0.588     350.014     360.000       6.904   58 
-    910000      182000.00      40.599      13.070      53.669   5.65 0.143 0.714 0.188 0.674     368.335     360.000       9.276   58 
-    920000      184000.00      34.479      -3.527      30.953   3.72 0.214 0.700 0.245 0.986     312.815     360.000       7.644   58 
-    930000      186000.00      34.248      11.018      45.266   6.19 0.071 0.500 0.136 0.434     310.715     360.000       8.851   58 
-    940000      188000.00      42.422      11.468      53.890   4.20 0.071 0.833 0.439 0.399     384.878     360.000       7.952   58 
-    950000      190000.00      43.939       7.437      51.376   7.94 0.071 0.750 0.250 0.747     398.634     360.000       9.820   58 
-    960000      192000.00      33.928      -0.418      33.510   3.57 0.286 0.556 0.187 0.570     307.815     360.000       8.109   58 
-    970000      194000.00      37.581       9.845      47.425   8.62 0.071 0.000 0.136 0.363     340.950     360.000      11.105   58 
-    980000      196000.00      35.058       3.314      38.373   8.25 0.071 0.750 0.148 0.611     318.067     360.000      11.581   58 
-    990000      198000.00      38.668       9.790      48.458   7.20 0.071 0.833 0.356 0.256     350.817     360.000       9.059   58 
-   1000000      200000.00      35.583       7.026      42.608   3.98 0.214 0.727 0.219 0.717     322.825     360.000       7.527   58 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB059.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB059.stat
deleted file mode 100644
index 988610d..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB059.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.223     112.507     152.730  12.87 0.000   NaN   NaN 4.850     364.923     390.000      15.552   59 
-     10000        2000.00      32.394       8.056      40.449   4.47 0.143 0.500 0.250 0.386     293.891     390.000       8.701   59 
-     20000        4000.00      47.073       9.559      56.631   8.07 0.143 0.714 0.188 0.374     427.068     390.000       9.628   59 
-     30000        6000.00      45.916      11.494      57.410   5.96 0.071 0.000 0.136 0.672     416.575     390.000      10.210   59 
-     40000        8000.00      39.161      -5.019      34.142   4.25 0.071 0.875 0.398 0.601     355.291     390.000       7.554   59 
-     50000       10000.00      36.512       7.947      44.459   5.20 0.071 0.500 0.227 0.644     331.259     390.000       8.830   59 
-     60000       12000.00      40.574      15.837      56.411   6.40 0.000 1.000 0.182 0.818     368.112     390.000       9.085   59 
-     70000       14000.00      43.134       3.976      47.111   5.69 0.000 1.000 0.614 0.387     391.335     390.000       8.669   59 
-     80000       16000.00      50.483      18.622      69.105   6.94 0.143 0.500 0.205 0.366     458.005     390.000       9.477   59 
-     90000       18000.00      45.654      15.002      60.656   5.07 0.071 0.750 0.443 0.308     414.194     390.000       8.778   59 
-    100000       20000.00      43.011      18.299      61.310   5.64 0.071 0.750 0.341 0.581     390.216     390.000       9.303   59 
-    110000       22000.00      38.343      14.510      52.853   7.46 0.000 1.000 0.273 0.529     347.867     380.000      10.864   59 
-    120000       24000.00      38.864       9.537      48.401   5.14 0.071 0.833 0.606 0.531     352.591     380.000       8.884   59 
-    130000       26000.00      33.649       8.647      42.296   6.48 0.071 0.750 0.284 0.594     305.284     380.000       8.201   59 
-    140000       28000.00      49.072      11.697      60.768   4.95 0.143 0.600 0.491 0.470     445.204     380.000       8.059   59 
-    150000       30000.00      43.757      13.318      57.075   6.96 0.071 0.000 0.136 0.370     396.984     380.000      10.166   59 
-    160000       32000.00      36.816       6.223      43.040   5.34 0.000 1.000 0.455 0.678     334.017     380.000       7.811   59 
-    170000       34000.00      42.106      18.347      60.453   4.93 0.143 0.600 0.218 0.118     382.008     380.000       8.331   59 
-    180000       36000.00      43.289       7.887      51.176   5.33 0.000 1.000 0.455 0.888     392.738     380.000       8.208   59 
-    190000       38000.00      35.521      11.273      46.794   6.46 0.071 0.667 0.258 0.258     322.269     380.000      10.113   59 
-    200000       40000.00      38.121      19.552      57.673   5.51 0.143 0.600 0.255 0.908     345.855     380.000       8.742   59 
-    210000       42000.00      38.296      16.465      54.761   6.91 0.071 0.000 0.136 0.879     347.437     370.000      10.895   59 
-    220000       44000.00      36.601       9.751      46.352   5.18 0.143 0.750 0.369 0.588     332.066     370.000       8.066   59 
-    230000       46000.00      30.114       3.652      33.767   7.27 0.071 0.857 0.253 0.439     273.212     370.000       7.784   59 
-    240000       48000.00      40.554       6.625      47.179   7.83 0.071 0.000 0.136 0.734     367.924     370.000      10.594   59 
-    250000       50000.00      46.744      10.686      57.429   6.57 0.000   NaN   NaN 0.713     424.082     370.000      10.176   59 
-    260000       52000.00      30.662       6.399      37.060   6.97 0.143 0.667 0.235 0.847     278.177     370.000       9.935   59 
-    270000       54000.00      40.531      11.718      52.249   6.34 0.071 0.800 0.218 0.180     367.715     370.000       8.943   59 
-    280000       56000.00      35.543       1.693      37.236   4.75 0.071 0.900 0.264 0.493     322.464     370.000       7.891   59 
-    290000       58000.00      51.130       4.019      55.149   6.40 0.071 0.800 0.282 0.643     463.877     370.000       7.910   59 
-    300000       60000.00      44.974      12.210      57.184   8.18 0.071 0.000 0.136 0.455     408.031     370.000      11.967   59 
-    310000       62000.00      45.220      10.826      56.046   5.55 0.000 1.000 0.523 0.737     410.255     390.000       7.668   59 
-    320000       64000.00      36.503       6.283      42.785   5.81 0.071 0.833 0.189 0.248     331.170     390.000       9.041   59 
-    330000       66000.00      39.376      15.985      55.361   6.39 0.071 0.857 0.344 0.554     357.242     390.000       9.226   59 
-    340000       68000.00      40.201       9.643      49.844   6.95 0.000 1.000 0.327 0.405     364.724     390.000       9.687   59 
-    350000       70000.00      38.297      16.652      54.949   6.85 0.000 1.000 0.136 0.939     347.447     390.000       9.776   59 
-    360000       72000.00      36.861      12.553      49.414   8.88 0.143 0.714 0.201 0.759     334.424     390.000      10.417   59 
-    370000       74000.00      34.479       7.732      42.211   6.77 0.000 1.000 0.273 0.466     312.808     390.000       9.244   59 
-    380000       76000.00      42.141      15.482      57.623   6.64 0.071 0.800 0.309 0.308     382.327     390.000       8.574   59 
-    390000       78000.00      38.285       4.367      42.652   3.54 0.071 0.889 0.510 0.451     347.341     390.000       7.494   59 
-    400000       80000.00      37.070      23.551      60.621   8.40 0.000   NaN   NaN 0.439     336.315     390.000      13.074   59 
-    410000       82000.00      47.644       5.249      52.893   8.29 0.071 0.000 0.136 1.009     432.253     390.000      11.759   59 
-    420000       84000.00      36.921       5.701      42.622   5.83 0.071 0.667 0.409 0.324     334.964     390.000       8.461   59 
-    430000       86000.00      44.836      17.270      62.106   5.79 0.071 0.750 0.239 0.397     406.776     390.000       8.866   59 
-    440000       88000.00      42.071       9.460      51.532   8.64 0.071 0.750 0.193 0.647     381.693     390.000      11.467   59 
-    450000       90000.00      35.382       7.350      42.731   4.73 0.214 0.667 0.258 0.461     321.000     390.000       7.580   59 
-    460000       92000.00      49.807      13.860      63.667  10.41 0.071 0.500 0.136 0.502     451.875     390.000      13.787   59 
-    470000       94000.00      41.466      15.806      57.271   8.49 0.000   NaN   NaN 0.798     376.196     390.000      12.285   59 
-    480000       96000.00      38.054      16.998      55.052   6.26 0.071 0.667 0.227 0.278     345.242     390.000       9.006   59 
-    490000       98000.00      41.883      16.013      57.895   5.18 0.071 0.750 0.239 0.491     379.983     390.000       8.046   59 
-    500000      100000.00      31.128      15.814      46.941   6.44 0.071 0.800 0.182 0.920     282.405     390.000       8.379   59 
-    510000      102000.00      45.395       7.595      52.990   5.38 0.000 1.000 0.395 0.629     411.845     390.000       7.747   59 
-    520000      104000.00      34.944      18.021      52.965   4.33 0.143 0.600 0.318 0.273     317.029     390.000       7.850   59 
-    530000      106000.00      38.997      16.136      55.133  10.10 0.143 0.000 0.136 0.617     353.805     390.000      13.492   59 
-    540000      108000.00      29.949       8.970      38.919  10.95 0.000   NaN   NaN 0.299     271.711     390.000      14.317   59 
-    550000      110000.00      40.469       4.060      44.529   5.33 0.143 0.778 0.439 0.461     367.159     390.000       7.836   59 
-    560000      112000.00      32.293      10.635      42.927   7.74 0.286 0.556 0.253 0.627     292.974     390.000      10.190   59 
-    570000      114000.00      33.682       8.962      42.643   4.30 0.071 0.667 0.197 0.568     305.580     390.000       8.913   59 
-    580000      116000.00      40.410      18.668      59.077   6.03 0.071 0.750 0.409 1.238     366.616     390.000       8.018   59 
-    590000      118000.00      46.396      13.514      59.909   5.24 0.214 0.500 0.318 0.911     420.924     390.000       8.676   59 
-    600000      120000.00      38.199      14.375      52.574   8.62 0.143 0.333 0.152 0.860     346.561     390.000      11.022   59 
-    610000      122000.00      31.881       7.663      39.544   4.66 0.214 0.571 0.208 0.825     289.245     370.000       8.547   59 
-    620000      124000.00      37.030      -0.170      36.860   7.46 0.071 0.500 0.182 1.061     335.954     370.000      10.758   59 
-    630000      126000.00      39.283      15.651      54.934   4.06 0.000 1.000 0.364 0.487     356.398     370.000       8.140   59 
-    640000      128000.00      32.551      12.119      44.670  11.30 0.000 1.000 0.182 0.546     295.320     370.000      13.913   59 
-    650000      130000.00      34.696      12.985      47.681   9.38 0.000 1.000 0.182 0.280     314.776     370.000      13.936   59 
-    660000      132000.00      34.463      11.066      45.528   6.55 0.071 0.500 0.227 0.403     312.664     370.000       9.588   59 
-    670000      134000.00      35.199      11.590      46.789  10.35 0.000 1.000 0.136 0.421     319.345     370.000      12.707   59 
-    680000      136000.00      37.973      10.879      48.852   7.21 0.000 1.000 0.136 0.667     344.512     370.000      10.981   59 
-    690000      138000.00      39.337      -0.408      38.929   5.60 0.143 0.778 0.237 0.323     356.884     370.000       9.285   59 
-    700000      140000.00      54.013       5.150      59.163   4.68 0.143 0.600 0.182 1.285     490.031     370.000       8.101   59 
-    710000      142000.00      42.567       5.733      48.300   5.13 0.143 0.667 0.250 0.487     386.189     370.000       8.071   59 
-    720000      144000.00      40.994      16.273      57.267   6.18 0.000 1.000 0.182 0.391     371.920     370.000       9.448   59 
-    730000      146000.00      38.102       3.134      41.236   5.73 0.214 0.625 0.227 0.560     345.678     370.000       7.302   59 
-    740000      148000.00      36.639      11.842      48.481   6.79 0.071 0.750 0.273 0.698     332.407     370.000       7.937   59 
-    750000      150000.00      32.847      23.774      56.621   5.96 0.071 0.857 0.422 0.772     298.004     370.000       7.558   59 
-    760000      152000.00      41.984       1.397      43.382   5.76 0.000 1.000 0.409 0.743     380.902     370.000       7.635   59 
-    770000      154000.00      35.651       8.303      43.954   4.60 0.071 0.500 0.159 0.155     323.443     370.000       8.125   59 
-    780000      156000.00      42.524      14.105      56.629   3.42 0.357 0.444 0.348 0.755     385.800     370.000       7.778   59 
-    790000      158000.00      39.775      -2.874      36.901   5.80 0.143 0.750 0.278 0.404     360.856     370.000       7.388   59 
-    800000      160000.00      40.319      14.681      55.001   4.82 0.143 0.750 0.301 0.270     365.796     370.000       7.403   59 
-    810000      162000.00      27.993      12.133      40.126   5.92 0.143 0.333 0.212 0.228     253.968     360.000       9.459   59 
-    820000      164000.00      41.471      10.207      51.678   7.31 0.071 0.000 0.182 0.530     376.245     360.000      11.655   59 
-    830000      166000.00      39.306      -2.114      37.193   5.54 0.000 1.000 0.420 1.082     356.609     360.000       8.440   59 
-    840000      168000.00      37.033       8.087      45.120   6.64 0.143 0.500 0.170 0.219     335.984     360.000       9.278   59 
-    850000      170000.00      42.824       2.972      45.796   5.06 0.143 0.667 0.356 0.416     388.524     360.000       7.522   59 
-    860000      172000.00      39.776       3.042      42.818   6.24 0.143 0.750 0.398 0.487     360.869     360.000       8.025   59 
-    870000      174000.00      29.499       6.182      35.681   6.88 0.071 0.875 0.369 0.563     267.628     360.000       7.243   59 
-    880000      176000.00      33.204      11.103      44.307   9.04 0.071 0.667 0.167 0.592     301.243     360.000      10.754   59 
-    890000      178000.00      39.398      11.930      51.328   5.05 0.143 0.600 0.300 0.356     357.440     360.000       8.657   59 
-    900000      180000.00      35.890       1.886      37.776   6.81 0.071 0.667 0.197 0.752     325.617     360.000       8.913   59 
-    910000      182000.00      42.561       2.365      44.926   5.48 0.143 0.000 0.341 0.880     386.137     340.000       9.686   59 
-    920000      184000.00      29.770      -1.275      28.495   4.23 0.000 1.000 0.264 0.484     270.087     340.000       8.093   59 
-    930000      186000.00      27.446      -5.967      21.479   4.28 0.143 0.800 0.364 1.004     249.005     340.000       7.093   59 
-    940000      188000.00      41.600       6.065      47.664   3.72 0.071 0.889 0.222 0.824     377.412     340.000       7.663   59 
-    950000      190000.00      29.312      -6.697      22.615   5.68 0.143 0.818 0.227 0.435     265.932     340.000       8.063   59 
-    960000      192000.00      33.563      -1.276      32.287   7.18 0.143 0.800 0.195 0.686     304.501     340.000       8.335   59 
-    970000      194000.00      31.078      10.230      41.308   6.81 0.071 0.750 0.250 0.457     281.956     340.000       9.415   59 
-    980000      196000.00      39.282      16.309      55.591   5.71 0.071 0.750 0.364 1.264     356.385     340.000       7.789   59 
-    990000      198000.00      35.643      -9.500      26.143   5.16 0.071 0.833 0.280 0.191     323.372     340.000       7.988   59 
-   1000000      200000.00      35.897      -8.874      27.023   3.26 0.214 0.500 0.212 0.841     325.679     340.000       7.682   59 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB060.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB060.stat
deleted file mode 100644
index a5c0cfe..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB060.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      36.484     112.326     148.810  12.87 0.000   NaN   NaN 4.849     331.005     400.000      15.552   60 
-     10000        2000.00      46.459       7.709      54.168   6.98 0.000 1.000 0.333 0.741     421.498     400.000       8.162   60 
-     20000        4000.00      37.947      13.933      51.879   7.38 0.071 0.000 0.136 0.401     344.273     400.000      10.668   60 
-     30000        6000.00      44.227      11.825      56.053   9.78 0.000 1.000 0.227 0.546     401.253     400.000      12.628   60 
-     40000        8000.00      40.783      11.414      52.197   7.53 0.000 1.000 0.182 0.740     370.007     400.000       9.136   60 
-     50000       10000.00      32.962      15.474      48.436   8.07 0.143 0.714 0.214 1.083     299.050     400.000      10.875   60 
-     60000       12000.00      37.190       8.717      45.907   8.41 0.071 0.857 0.292 0.360     337.410     400.000      11.261   60 
-     70000       14000.00      41.456      16.686      58.142   7.25 0.071 0.500 0.136 0.751     376.111     400.000       9.227   60 
-     80000       16000.00      54.180      12.486      66.666   5.80 0.000 1.000 0.432 0.583     491.550     400.000       8.721   60 
-     90000       18000.00      31.678      13.836      45.515   5.56 0.071 0.750 0.364 0.296     287.403     400.000       8.917   60 
-    100000       20000.00      46.796       5.359      52.155   5.91 0.071 0.750 0.227 0.495     424.559     400.000       8.338   60 
-    110000       22000.00      39.818      18.834      58.653   6.81 0.071 0.875 0.364 0.543     361.252     380.000       8.609   60 
-    120000       24000.00      40.543       3.076      43.619   7.08 0.143 0.600 0.145 0.312     367.832     380.000       9.811   60 
-    130000       26000.00      32.147       4.156      36.303   6.36 0.071 0.833 0.227 0.398     291.654     380.000       8.488   60 
-    140000       28000.00      46.270       4.529      50.799   4.73 0.071 0.750 0.261 0.549     419.783     380.000       8.124   60 
-    150000       30000.00      31.761       4.319      36.080   8.27 0.143 0.600 0.209 0.468     288.153     380.000      10.318   60 
-    160000       32000.00      36.394      12.389      48.783   7.49 0.000 1.000 0.373 1.499     330.185     380.000       7.187   60 
-    170000       34000.00      38.341      14.135      52.476   7.08 0.000 1.000 0.386 0.503     347.850     380.000       8.043   60 
-    180000       36000.00      36.487       0.543      37.030   6.45 0.000 1.000 0.240 0.279     331.026     380.000       9.198   60 
-    190000       38000.00      38.527       4.052      42.579   5.38 0.000 1.000 0.432 0.254     349.539     380.000       8.540   60 
-    200000       40000.00      41.327      11.412      52.739   6.83 0.000 1.000 0.136 1.217     374.937     380.000      10.932   60 
-    210000       42000.00      33.532      17.510      51.042   8.84 0.071 0.500 0.136 1.197     304.218     380.000      12.914   60 
-    220000       44000.00      29.596      19.138      48.735   8.04 0.143 0.600 0.191 0.400     268.514     380.000      11.373   60 
-    230000       46000.00      42.077      18.578      60.655   5.97 0.071 0.800 0.245 0.296     381.745     380.000       8.382   60 
-    240000       48000.00      40.177       9.487      49.664   6.69 0.000 1.000 0.341 0.385     364.509     380.000       9.031   60 
-    250000       50000.00      41.657      15.797      57.454   6.72 0.143 0.000 0.159 0.581     377.933     380.000       9.813   60 
-    260000       52000.00      31.183       5.168      36.351   5.58 0.000 1.000 0.416 0.809     282.911     380.000       7.584   60 
-    270000       54000.00      31.235      10.877      42.112   4.65 0.071 0.900 0.291 0.266     283.379     380.000       7.955   60 
-    280000       56000.00      36.261       4.779      41.040   5.62 0.000 1.000 0.136 0.456     328.983     380.000       8.997   60 
-    290000       58000.00      30.114       2.063      32.177   7.37 0.000 1.000 0.227 0.262     273.214     380.000       9.534   60 
-    300000       60000.00      34.958      16.858      51.816  12.44 0.000 1.000 0.136 0.354     317.153     380.000      15.066   60 
-    310000       62000.00      34.274       6.569      40.842   8.28 0.286 0.429 0.143 0.472     310.948     380.000      11.142   60 
-    320000       64000.00      42.415       4.845      47.260   5.24 0.143 0.600 0.200 1.335     384.809     380.000       8.129   60 
-    330000       66000.00      36.901      10.326      47.227   5.26 0.071 0.875 0.415 0.631     334.786     380.000       8.712   60 
-    340000       68000.00      43.492       8.332      51.824   5.29 0.000 1.000 0.205 0.444     394.584     380.000       9.485   60 
-    350000       70000.00      43.850      13.043      56.893   5.93 0.071 0.875 0.386 1.023     397.829     380.000       7.386   60 
-    360000       72000.00      33.721       8.830      42.551   5.18 0.000 1.000 0.386 0.582     305.932     380.000       8.321   60 
-    370000       74000.00      39.279      14.935      54.214   7.22 0.000 1.000 0.227 1.316     356.363     380.000       9.311   60 
-    380000       76000.00      46.303      12.523      58.826   5.09 0.000 1.000 0.182 0.765     420.085     380.000       8.668   60 
-    390000       78000.00      49.733      16.945      66.679   6.05 0.000 1.000 0.288 0.820     451.206     380.000       8.884   60 
-    400000       80000.00      40.851       3.584      44.435   6.76 0.071 0.750 0.205 0.793     370.619     380.000      10.279   60 
-    410000       82000.00      29.850      12.217      42.067   4.71 0.071 0.667 0.409 0.729     270.815     370.000       8.384   60 
-    420000       84000.00      34.070      13.371      47.441   5.89 0.143 0.600 0.191 0.752     309.100     370.000       8.772   60 
-    430000       86000.00      34.609       1.748      36.357   5.49 0.214 0.667 0.399 0.268     313.990     370.000       8.336   60 
-    440000       88000.00      34.783       1.602      36.385   7.23 0.071 0.500 0.182 0.885     315.572     370.000      11.645   60 
-    450000       90000.00      33.629      13.209      46.838   5.04 0.071 0.000 0.136 0.429     305.101     370.000       9.356   60 
-    460000       92000.00      40.664      14.173      54.837   4.38 0.000 1.000 0.164 0.379     368.925     370.000       9.026   60 
-    470000       94000.00      45.847       9.122      54.970   5.87 0.143 0.667 0.189 0.500     415.948     370.000       9.912   60 
-    480000       96000.00      37.879       3.429      41.308   5.82 0.071 0.800 0.291 0.537     343.662     370.000       8.162   60 
-    490000       98000.00      47.997      11.648      59.646   7.66 0.000 1.000 0.273 0.525     435.458     370.000       8.362   60 
-    500000      100000.00      42.628      11.997      54.625   4.54 0.286 0.000 0.398 0.542     386.745     370.000       7.901   60 
-    510000      102000.00      30.204       8.511      38.714   5.68 0.143 0.600 0.191 0.518     274.024     370.000       8.366   60 
-    520000      104000.00      27.895      -6.086      21.809   5.57 0.214 0.727 0.302 0.681     253.074     370.000       7.884   60 
-    530000      106000.00      46.896       6.751      53.647   5.16 0.000 1.000 0.348 0.677     425.463     370.000       8.287   60 
-    540000      108000.00      31.596       2.529      34.125   6.68 0.000 1.000 0.303 0.997     286.653     370.000       8.948   60 
-    550000      110000.00      32.197       3.213      35.410   5.63 0.143 0.667 0.417 0.316     292.107     370.000       7.564   60 
-    560000      112000.00      36.848      18.596      55.443   8.20 0.143 0.333 0.152 0.537     334.300     370.000      12.825   60 
-    570000      114000.00      43.096       1.476      44.571   6.95 0.143 0.600 0.200 0.443     390.986     370.000      10.691   60 
-    580000      116000.00      35.987      -2.663      33.324   4.83 0.143 0.833 0.330 0.532     326.492     370.000       7.010   60 
-    590000      118000.00      38.394      14.805      53.200   7.23 0.000 1.000 0.182 0.602     348.334     370.000      10.689   60 
-    600000      120000.00      39.604      15.475      55.080   5.18 0.000 1.000 0.318 1.467     359.312     370.000       8.378   60 
-    610000      122000.00      43.495      17.993      61.488   5.91 0.071 0.500 0.136 1.148     394.613     360.000      10.461   60 
-    620000      124000.00      41.204      -0.092      41.111   6.78 0.071 0.857 0.370 0.153     373.822     360.000       8.396   60 
-    630000      126000.00      38.771       5.438      44.209   6.85 0.071 0.800 0.364 0.278     351.750     360.000       7.869   60 
-    640000      128000.00      42.773       3.801      46.573   5.15 0.071 0.833 0.606 1.223     388.055     360.000       7.988   60 
-    650000      130000.00      38.078       2.909      40.987   7.70 0.071 0.000 0.136 0.511     345.461     360.000      11.079   60 
-    660000      132000.00      42.529      -8.812      33.717   4.32 0.143 0.667 0.386 0.437     385.843     360.000       7.073   60 
-    670000      134000.00      34.417       0.802      35.220   6.07 0.143 0.500 0.205 0.673     312.252     360.000       8.882   60 
-    680000      136000.00      44.955       4.082      49.037   7.32 0.143 0.778 0.424 1.025     407.851     360.000       7.348   60 
-    690000      138000.00      37.112       2.844      39.956   7.33 0.143 0.500 0.193 0.428     336.697     360.000       8.892   60 
-    700000      140000.00      33.326       7.421      40.747  10.00 0.000   NaN   NaN 0.643     302.355     360.000      12.840   60 
-    710000      142000.00      40.345       7.640      47.985   4.70 0.071 0.875 0.256 0.446     366.034     360.000       7.318   60 
-    720000      144000.00      34.071      14.241      48.312   9.56 0.000 1.000 0.182 0.544     309.105     360.000      13.296   60 
-    730000      146000.00      39.315       0.988      40.303   8.63 0.071 0.750 0.170 0.345     356.688     360.000      11.083   60 
-    740000      148000.00      30.622       8.206      38.828   6.67 0.143 0.333 0.212 0.509     277.821     360.000      10.984   60 
-    750000      150000.00      43.903       4.923      48.826   6.48 0.071 0.800 0.236 0.774     398.312     360.000       9.116   60 
-    760000      152000.00      29.946      10.303      40.249   6.78 0.214 0.400 0.227 0.198     271.685     360.000       9.995   60 
-    770000      154000.00      28.213       3.390      31.603   4.38 0.143 0.667 0.508 0.583     255.963     360.000       7.689   60 
-    780000      156000.00      34.388      10.698      45.086   5.95 0.000 1.000 0.455 0.431     311.988     360.000       8.600   60 
-    790000      158000.00      44.155       1.791      45.946   5.12 0.071 0.750 0.170 0.418     400.595     360.000       8.788   60 
-    800000      160000.00      43.073       3.771      46.845   5.76 0.143 0.667 0.227 0.669     390.784     360.000       7.643   60 
-    810000      162000.00      31.299      14.195      45.494   8.03 0.071 0.833 0.189 0.518     283.962     360.000       8.637   60 
-    820000      164000.00      36.863      -1.165      35.698   4.33 0.143 0.833 0.220 0.559     334.444     360.000       7.211   60 
-    830000      166000.00      28.547       7.075      35.622   8.02 0.000 1.000 0.197 0.589     258.991     360.000      10.348   60 
-    840000      168000.00      32.240      11.778      44.017   6.94 0.071 0.800 0.218 0.700     292.494     360.000       9.432   60 
-    850000      170000.00      42.455       5.033      47.488   6.10 0.000 1.000 0.182 0.445     385.170     360.000       9.955   60 
-    860000      172000.00      33.880       5.282      39.162   8.22 0.143 0.500 0.136 0.444     307.374     360.000      10.160   60 
-    870000      174000.00      45.460      -2.979      42.481   6.14 0.071 0.857 0.188 0.175     412.436     360.000       8.204   60 
-    880000      176000.00      43.676       1.869      45.545   5.91 0.000 1.000 0.371 1.111     396.251     360.000       8.845   60 
-    890000      178000.00      40.872       0.624      41.496   6.28 0.143 0.600 0.364 0.905     370.815     360.000       6.942   60 
-    900000      180000.00      38.151      13.992      52.143   6.06 0.143 0.667 0.303 1.354     346.128     360.000       7.831   60 
-    910000      182000.00      44.445      16.799      61.244   5.29 0.143 0.667 0.250 0.253     403.228     390.000       8.993   60 
-    920000      184000.00      39.381      20.213      59.594   7.99 0.000 1.000 0.182 0.737     357.286     390.000      11.259   60 
-    930000      186000.00      39.397      12.171      51.568   6.77 0.000 1.000 0.307 0.305     357.430     390.000       9.708   60 
-    940000      188000.00      28.429      14.280      42.709   7.34 0.000 1.000 0.197 0.499     257.925     390.000       7.950   60 
-    950000      190000.00      37.918      10.529      48.447   5.66 0.071 0.000 0.136 1.085     344.015     390.000       9.446   60 
-    960000      192000.00      54.829       7.976      62.805   6.17 0.143 0.667 0.250 0.262     497.440     390.000       9.255   60 
-    970000      194000.00      40.347       0.818      41.165   4.23 0.214 0.250 0.273 0.334     366.047     390.000       8.543   60 
-    980000      196000.00      48.493      11.502      59.995   7.64 0.071 0.667 0.182 0.769     439.957     390.000       9.038   60 
-    990000      198000.00      44.781       2.735      47.516   5.51 0.143 0.750 0.278 0.732     406.272     390.000       7.822   60 
-   1000000      200000.00      43.512      18.360      61.871   5.11 0.071 0.500 0.227 0.678     394.760     390.000       9.222   60 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB061.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB061.stat
deleted file mode 100644
index b36768b..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB061.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      32.571     112.326     144.897  12.87 0.000   NaN   NaN 4.849     295.503     400.000      15.552   61 
-     10000        2000.00      39.775      16.733      56.508   4.08 0.000 1.000 0.173 0.366     360.857     400.000       9.159   61 
-     20000        4000.00      35.393      16.258      51.651   5.71 0.143 0.333 0.227 0.444     321.105     400.000       9.257   61 
-     30000        6000.00      46.923       7.558      54.481   7.87 0.143 0.667 0.182 0.675     425.712     400.000       9.677   61 
-     40000        8000.00      42.849      12.698      55.546   4.73 0.000 1.000 0.396 0.479     388.745     400.000       7.978   61 
-     50000       10000.00      32.851      25.412      58.263   6.79 0.071 0.000 0.136 0.852     298.042     400.000      10.728   61 
-     60000       12000.00      34.697      15.057      49.754   6.45 0.000 1.000 0.291 0.372     314.786     400.000       7.897   61 
-     70000       14000.00      40.838      19.420      60.259   7.96 0.071 0.750 0.284 0.464     370.506     400.000       9.742   61 
-     80000       16000.00      36.462      15.746      52.208  10.00 0.000   NaN   NaN 0.550     330.801     400.000      12.900   61 
-     90000       18000.00      38.967      17.987      56.955   5.00 0.000   NaN   NaN 0.476     353.532     400.000       9.600   61 
-    100000       20000.00      47.891      11.058      58.949   5.79 0.000 1.000 0.352 0.399     434.491     400.000       7.647   61 
-    110000       22000.00      47.842      16.812      64.654   4.50 0.071 0.857 0.338 0.370     434.050     400.000       8.695   61 
-    120000       24000.00      32.435      18.088      50.523   5.92 0.071 0.500 0.159 0.796     294.264     400.000       9.277   61 
-    130000       26000.00      48.352      14.962      63.314   5.85 0.071 0.857 0.390 0.712     438.675     400.000       8.035   61 
-    140000       28000.00      45.418      11.801      57.219   6.79 0.143 0.500 0.250 0.588     412.052     400.000       8.614   61 
-    150000       30000.00      43.655      11.493      55.148   5.96 0.000 1.000 0.386 0.416     396.062     400.000       8.874   61 
-    160000       32000.00      48.895       9.198      58.093   4.93 0.143 0.667 0.447 0.619     443.602     400.000       8.217   61 
-    170000       34000.00      51.091      24.625      75.717   4.93 0.071 0.800 0.182 0.643     463.525     400.000       8.831   61 
-    180000       36000.00      42.137       9.111      51.248   8.46 0.143 0.333 0.152 1.249     382.288     400.000      11.849   61 
-    190000       38000.00      46.667      -0.177      46.490   5.33 0.000   NaN   NaN 0.736     423.383     400.000       8.324   61 
-    200000       40000.00      36.551      14.390      50.941   6.12 0.143 0.333 0.182 0.260     331.610     400.000       9.411   61 
-    210000       42000.00      36.088      12.484      48.572   4.55 0.071 0.000 0.136 0.621     327.410     400.000       8.795   61 
-    220000       44000.00      46.267      20.858      67.125   8.18 0.000 1.000 0.182 0.300     419.756     400.000      11.832   61 
-    230000       46000.00      41.022      13.436      54.457   7.23 0.071 0.750 0.273 0.364     372.169     400.000       9.962   61 
-    240000       48000.00      42.872      10.614      53.486   8.69 0.071 0.800 0.209 0.159     388.953     400.000      12.175   61 
-    250000       50000.00      47.871      23.266      71.137   8.08 0.000   NaN   NaN 0.601     434.308     400.000      10.837   61 
-    260000       52000.00      46.938      18.731      65.669   6.74 0.071 0.000 0.136 0.357     425.845     400.000      10.204   61 
-    270000       54000.00      31.762      13.332      45.094   5.20 0.000 1.000 0.564 0.334     288.164     400.000       9.468   61 
-    280000       56000.00      34.028       6.896      40.925   5.29 0.071 0.800 0.273 0.488     308.722     400.000       8.638   61 
-    290000       58000.00      36.643       5.255      41.898   5.44 0.000 1.000 0.341 0.758     332.440     400.000      10.386   61 
-    300000       60000.00      41.037       0.593      41.630   6.25 0.071 0.750 0.193 0.622     372.308     400.000       8.528   61 
-    310000       62000.00      41.521       6.459      47.979   6.69 0.071 0.857 0.201 0.608     376.698     400.000       8.655   61 
-    320000       64000.00      37.988       9.793      47.781   4.82 0.143 0.750 0.455 0.277     344.642     400.000       7.598   61 
-    330000       66000.00      50.520      18.244      68.764   5.00 0.143 0.750 0.330 0.656     458.348     400.000       8.801   61 
-    340000       68000.00      41.520       2.940      44.460   5.52 0.071 0.875 0.352 0.565     376.690     400.000       7.415   61 
-    350000       70000.00      38.332      23.772      62.104   6.33 0.000 1.000 0.345 0.404     347.770     400.000       7.283   61 
-    360000       72000.00      41.192      13.719      54.911   9.00 0.000   NaN   NaN 0.690     373.719     400.000      11.679   61 
-    370000       74000.00      41.024      12.709      53.733   6.79 0.000 1.000 0.295 0.961     372.187     400.000       8.300   61 
-    380000       76000.00      47.250      13.120      60.370   5.53 0.143 0.714 0.325 0.539     428.677     400.000       7.733   61 
-    390000       78000.00      40.014       2.632      42.646   6.00 0.143 0.714 0.390 0.420     363.027     400.000       7.485   61 
-    400000       80000.00      33.610      21.264      54.874   9.59 0.000   NaN   NaN 1.318     304.927     400.000      11.503   61 
-    410000       82000.00      49.302      14.391      63.693   7.57 0.071 0.800 0.309 0.499     447.296     400.000       7.863   61 
-    420000       84000.00      38.658      18.701      57.359   6.68 0.000 1.000 0.242 0.288     350.729     400.000      10.134   61 
-    430000       86000.00      38.984      11.395      50.379   7.06 0.071 0.667 0.258 0.398     353.687     400.000       7.877   61 
-    440000       88000.00      39.188       9.807      48.995   6.78 0.071 0.667 0.152 0.652     355.534     400.000       9.920   61 
-    450000       90000.00      33.969      12.119      46.088   5.86 0.071 0.667 0.197 0.306     308.183     400.000       9.477   61 
-    460000       92000.00      46.408       4.461      50.869   8.74 0.071 0.667 0.197 1.119     421.040     400.000      10.859   61 
-    470000       94000.00      41.029      12.818      53.848   7.15 0.143 0.000 0.136 1.198     372.241     400.000      10.002   61 
-    480000       96000.00      36.577      14.595      51.172   6.32 0.143 0.667 0.197 0.593     331.849     400.000       9.152   61 
-    490000       98000.00      37.966       8.163      46.129   6.32 0.071 0.889 0.409 0.310     344.449     400.000       8.494   61 
-    500000      100000.00      45.924      14.922      60.846  10.01 0.000 1.000 0.136 0.995     416.649     400.000      13.602   61 
-    510000      102000.00      46.476      18.356      64.832   6.21 0.071 0.800 0.173 1.128     421.654     400.000       9.986   61 
-    520000      104000.00      45.986       3.412      49.398   6.49 0.143 0.600 0.173 0.651     417.210     400.000       8.325   61 
-    530000      106000.00      38.162       7.297      45.459   7.64 0.071 0.750 0.205 0.174     346.229     400.000      10.013   61 
-    540000      108000.00      42.935      11.993      54.928   6.42 0.071 0.833 0.212 0.604     389.524     400.000       9.461   61 
-    550000      110000.00      35.027      11.418      46.445   6.83 0.071 0.889 0.293 0.467     317.784     400.000       7.699   61 
-    560000      112000.00      47.505      20.391      67.896   8.58 0.071 0.500 0.159 0.209     430.993     400.000      10.858   61 
-    570000      114000.00      40.693      24.049      64.743   6.10 0.071 0.800 0.355 0.851     369.189     400.000       8.719   61 
-    580000      116000.00      39.850       7.283      47.133   4.96 0.000 1.000 0.205 0.591     361.539     400.000       8.208   61 
-    590000      118000.00      42.525       9.146      51.671   7.21 0.000 1.000 0.167 0.464     385.806     400.000       9.593   61 
-    600000      120000.00      45.477       6.024      51.501   5.19 0.071 0.800 0.236 0.429     412.589     400.000       8.106   61 
-    610000      122000.00      43.171      10.238      53.409   6.37 0.143 0.500 0.227 1.275     391.668     390.000       8.689   61 
-    620000      124000.00      41.562       9.774      51.336   5.60 0.071 0.833 0.341 0.248     377.070     390.000       7.871   61 
-    630000      126000.00      44.859      18.433      63.292   7.35 0.000 1.000 0.136 0.841     406.983     390.000      11.889   61 
-    640000      128000.00      39.831       7.621      47.452   7.81 0.071 0.500 0.136 0.491     361.366     390.000      11.163   61 
-    650000      130000.00      40.026       7.839      47.866   5.11 0.071 0.857 0.318 0.295     363.138     390.000       8.140   61 
-    660000      132000.00      41.785       8.561      50.345   6.61 0.000 1.000 0.364 0.447     379.094     390.000       8.972   61 
-    670000      134000.00      39.281      20.792      60.073   8.17 0.071 0.750 0.205 0.326     356.382     390.000      11.501   61 
-    680000      136000.00      39.819      12.032      51.850   5.89 0.071 0.500 0.136 0.462     361.255     390.000      10.529   61 
-    690000      138000.00      38.896      14.668      53.564   7.50 0.143 0.333 0.167 0.460     352.884     390.000      10.890   61 
-    700000      140000.00      41.581      11.614      53.194   5.41 0.071 0.667 0.242 0.413     377.242     390.000       9.804   61 
-    710000      142000.00      42.792       2.423      45.214   7.03 0.071 0.800 0.355 0.830     388.227     380.000       9.364   61 
-    720000      144000.00      26.006      22.773      48.778   6.06 0.071 0.500 0.136 0.443     235.936     380.000       9.811   61 
-    730000      146000.00      37.667       0.292      37.959   4.57 0.071 0.800 0.282 0.472     341.734     380.000       7.716   61 
-    740000      148000.00      38.737      22.766      61.504   8.79 0.000 1.000 0.159 1.109     351.444     380.000      10.999   61 
-    750000      150000.00      37.745       9.409      47.154   6.24 0.143 0.500 0.159 0.117     342.442     380.000      10.782   61 
-    760000      152000.00      42.745       5.114      47.860   6.07 0.143 0.600 0.382 0.562     387.809     380.000       7.963   61 
-    770000      154000.00      40.623       8.374      48.997   5.86 0.000 1.000 0.227 0.917     368.555     380.000       8.423   61 
-    780000      156000.00      43.284      21.667      64.950  10.04 0.000 1.000 0.136 0.288     392.692     380.000      13.780   61 
-    790000      158000.00      32.744      15.016      47.759   6.73 0.071 0.667 0.394 0.616     297.067     380.000       9.042   61 
-    800000      160000.00      34.942      -1.246      33.696   5.67 0.071 0.857 0.279 0.195     317.012     380.000       7.816   61 
-    810000      162000.00      39.311       5.549      44.860   5.26 0.071 0.800 0.364 1.096     356.653     350.000       8.445   61 
-    820000      164000.00      37.495      -0.253      37.242   6.30 0.143 0.333 0.424 0.173     340.177     350.000       7.884   61 
-    830000      166000.00      42.275       5.039      47.314   4.16 0.143 0.818 0.289 0.842     383.538     350.000       7.895   61 
-    840000      168000.00      34.381       3.897      38.279   8.24 0.071 0.800 0.227 0.375     311.925     350.000      10.496   61 
-    850000      170000.00      36.997      -5.390      31.607   3.22 0.286 0.733 0.388 0.386     335.653     350.000       7.121   61 
-    860000      172000.00      34.009      -0.011      33.999   8.09 0.071 0.833 0.220 0.867     308.551     350.000       9.056   61 
-    870000      174000.00      36.465       1.978      38.443   7.03 0.286 0.429 0.195 0.418     330.831     350.000       9.819   61 
-    880000      176000.00      47.138       1.342      48.480   4.47 0.071 0.800 0.309 0.747     427.660     350.000       8.427   61 
-    890000      178000.00      38.041       8.861      46.902   5.12 0.071 0.500 0.182 0.617     345.126     350.000       8.854   61 
-    900000      180000.00      35.658      -1.796      33.862   4.56 0.214 0.571 0.253 0.381     323.511     350.000       7.854   61 
-    910000      182000.00      40.036      -7.948      32.088   5.35 0.071 0.900 0.432 0.388     363.225     350.000       8.367   61 
-    920000      184000.00      31.469       4.602      36.070   6.66 0.000   NaN   NaN 0.906     285.499     350.000      10.054   61 
-    930000      186000.00      29.080       2.791      31.871   9.23 0.143 0.500 0.193 1.040     263.830     350.000      10.826   61 
-    940000      188000.00      32.954      -0.341      32.612   4.54 0.214 0.250 0.170 0.466     298.974     350.000       7.883   61 
-    950000      190000.00      32.921      -2.950      29.971   6.13 0.071 0.875 0.375 0.297     298.678     350.000       7.423   61 
-    960000      192000.00      38.428      -0.426      38.002   5.63 0.071 0.889 0.394 0.264     348.636     350.000       7.419   61 
-    970000      194000.00      25.807       6.442      32.249   9.11 0.143 0.000 0.136 0.396     234.130     350.000      12.318   61 
-    980000      196000.00      27.616      -4.797      22.820   4.67 0.214 0.500 0.197 0.702     250.548     350.000       8.698   61 
-    990000      198000.00      38.369       2.214      40.583   5.07 0.071 0.875 0.278 0.766     348.107     350.000       9.169   61 
-   1000000      200000.00      38.004      17.807      55.810   8.70 0.071 0.500 0.136 0.930     344.788     350.000      12.789   61 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB062.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB062.stat
deleted file mode 100644
index ec6c86c..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB062.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      44.347     112.326     156.673  12.87 0.000   NaN   NaN 4.849     402.340     400.000      15.552   62 
-     10000        2000.00      47.461       6.340      53.801   7.39 0.000 1.000 0.236 0.296     430.587     400.000       8.019   62 
-     20000        4000.00      53.142       5.555      58.697   6.38 0.143 0.714 0.325 0.964     482.132     400.000       8.128   62 
-     30000        6000.00      44.231      15.243      59.473   7.34 0.143 0.600 0.182 0.912     401.285     400.000       8.902   62 
-     40000        8000.00      40.180      16.518      56.698   5.93 0.071 0.833 0.258 0.487     364.535     400.000       8.589   62 
-     50000       10000.00      39.448      13.915      53.364   7.92 0.000 1.000 0.227 0.666     357.896     400.000      12.229   62 
-     60000       12000.00      44.096      10.239      54.335   5.01 0.071 0.750 0.182 0.892     400.059     400.000       8.692   62 
-     70000       14000.00      43.014      17.246      60.260   7.09 0.071 0.500 0.205 1.042     390.248     400.000      10.782   62 
-     80000       16000.00      44.090      10.610      54.700   6.89 0.000 1.000 0.273 0.315     400.004     400.000       8.425   62 
-     90000       18000.00      44.284      18.397      62.681   5.84 0.000 1.000 0.303 0.328     401.767     400.000       9.467   62 
-    100000       20000.00      47.513       5.460      52.973   5.34 0.071 0.500 0.182 1.289     431.059     400.000       9.591   62 
-    110000       22000.00      37.241      11.212      48.453   5.80 0.071 0.500 0.364 0.204     337.866     400.000       9.485   62 
-    120000       24000.00      39.430       8.701      48.131   4.20 0.071 0.857 0.188 0.717     357.728     400.000       7.634   62 
-    130000       26000.00      43.686      16.289      59.975   9.26 0.071 0.000 0.182 0.889     396.345     400.000      11.322   62 
-    140000       28000.00      35.567      20.785      56.352   7.80 0.000 1.000 0.303 1.252     322.683     400.000       9.550   62 
-    150000       30000.00      47.283      12.498      59.781   6.97 0.000 1.000 0.227 1.074     428.976     400.000       9.930   62 
-    160000       32000.00      37.571      12.619      50.190   8.37 0.214 0.571 0.169 0.746     340.866     400.000      10.518   62 
-    170000       34000.00      45.106      24.313      69.419   5.19 0.000 1.000 0.591 0.458     409.222     400.000       8.866   62 
-    180000       36000.00      44.471      16.729      61.201   9.01 0.071 0.500 0.182 0.723     403.468     400.000      10.681   62 
-    190000       38000.00      47.604      13.190      60.794   6.33 0.000 1.000 0.331 0.597     431.884     400.000       7.192   62 
-    200000       40000.00      41.131      15.030      56.161   5.55 0.143 0.333 0.333 0.613     373.161     400.000       8.192   62 
-    210000       42000.00      35.721       4.586      40.307   4.88 0.071 0.500 0.182 0.464     324.076     390.000       8.749   62 
-    220000       44000.00      41.282      22.564      63.846   6.77 0.000 1.000 0.261 1.107     374.535     390.000       9.118   62 
-    230000       46000.00      45.971      13.800      59.771   7.75 0.071 0.800 0.245 0.295     417.071     390.000      10.146   62 
-    240000       48000.00      42.578       3.159      45.736   5.09 0.000 1.000 0.382 0.343     386.285     390.000       8.658   62 
-    250000       50000.00      37.954       7.623      45.577   6.10 0.000 1.000 0.227 0.803     344.337     390.000       9.415   62 
-    260000       52000.00      43.761       9.736      53.496   5.27 0.143 0.500 0.261 0.539     397.020     390.000       8.764   62 
-    270000       54000.00      31.751      13.636      45.387   6.91 0.000 1.000 0.182 0.420     288.062     390.000      10.276   62 
-    280000       56000.00      31.466      14.265      45.732   7.95 0.071 0.000 0.136 1.204     285.480     390.000      10.116   62 
-    290000       58000.00      38.309       6.748      45.057   5.91 0.071 0.667 0.167 0.315     347.561     390.000      10.651   62 
-    300000       60000.00      38.309       9.805      48.113   4.20 0.000 1.000 0.409 0.421     347.558     390.000       7.574   62 
-    310000       62000.00      39.234       3.947      43.180   4.32 0.071 0.500 0.386 0.409     355.949     390.000       8.528   62 
-    320000       64000.00      31.988      14.131      46.119   6.30 0.000 1.000 0.182 0.445     290.211     390.000      10.471   62 
-    330000       66000.00      31.582      14.992      46.574   9.93 0.000 1.000 0.182 0.514     286.531     390.000      11.962   62 
-    340000       68000.00      33.305      17.134      50.439   6.24 0.000 1.000 0.159 0.603     302.163     390.000      10.073   62 
-    350000       70000.00      31.326      16.647      47.973   4.72 0.071 0.750 0.364 0.757     284.207     390.000       8.454   62 
-    360000       72000.00      36.811      10.638      47.449   5.59 0.071 0.667 0.227 0.461     333.966     390.000      10.008   62 
-    370000       74000.00      42.658      12.679      55.337   9.56 0.071 0.667 0.167 0.402     387.019     390.000      12.042   62 
-    380000       76000.00      35.535       6.955      42.490   5.75 0.071 0.800 0.382 0.317     322.388     390.000       7.919   62 
-    390000       78000.00      46.751      21.249      68.000   5.36 0.071 0.667 0.242 0.689     424.151     390.000       9.135   62 
-    400000       80000.00      33.057      -1.246      31.811   6.14 0.071 0.900 0.355 0.195     299.911     390.000       7.097   62 
-    410000       82000.00      33.822       3.421      37.243   4.80 0.214 0.667 0.192 0.214     306.849     370.000       7.614   62 
-    420000       84000.00      33.898      13.270      47.168   7.83 0.143 0.500 0.170 0.468     307.541     370.000       9.387   62 
-    430000       86000.00      35.424       9.947      45.371   9.39 0.071 0.500 0.136 0.346     321.383     370.000      13.305   62 
-    440000       88000.00      40.326       2.231      42.557   6.67 0.143 0.500 0.364 0.498     365.860     370.000       8.063   62 
-    450000       90000.00      33.641       1.717      35.358   5.66 0.071 0.800 0.536 0.194     305.207     370.000       8.608   62 
-    460000       92000.00      39.546       7.380      46.926   5.10 0.071 0.500 0.205 0.500     358.782     370.000       8.432   62 
-    470000       94000.00      36.988      13.064      50.052   5.31 0.071 0.667 0.455 0.336     335.571     370.000       8.418   62 
-    480000       96000.00      39.356       0.637      39.994   6.75 0.000 1.000 0.267 0.302     357.062     370.000       7.896   62 
-    490000       98000.00      36.711       6.724      43.435   5.81 0.143 0.500 0.148 0.177     333.061     370.000       9.397   62 
-    500000      100000.00      39.904       7.221      47.125   8.23 0.071 0.500 0.205 0.378     362.032     370.000      11.536   62 
-    510000      102000.00      35.722      10.084      45.806   5.46 0.071 0.833 0.242 0.798     324.085     360.000       8.819   62 
-    520000      104000.00      31.728      11.721      43.448   6.68 0.143 0.600 0.218 0.244     287.850     360.000       8.707   62 
-    530000      106000.00      38.328       0.632      38.960   3.36 0.143 0.750 0.409 0.502     347.730     360.000       7.222   62 
-    540000      108000.00      37.109       5.525      42.634   7.27 0.000 1.000 0.312 0.919     336.676     360.000       7.308   62 
-    550000      110000.00      29.169      11.471      40.640   6.49 0.000 1.000 0.409 0.762     264.639     360.000       9.408   62 
-    560000      112000.00      49.470       3.527      52.997   5.72 0.143 0.000 0.136 0.393     448.818     360.000       9.337   62 
-    570000      114000.00      46.048       2.862      48.910   6.32 0.071 0.857 0.351 0.438     417.769     360.000       8.052   62 
-    580000      116000.00      37.367      -3.787      33.580   6.15 0.143 0.333 0.152 1.155     339.010     360.000       9.712   62 
-    590000      118000.00      37.290       5.152      42.442   5.13 0.071 0.800 0.382 0.630     338.315     360.000       8.163   62 
-    600000      120000.00      42.781      13.798      56.579   6.60 0.000 1.000 0.273 0.694     388.131     360.000       8.825   62 
-    610000      122000.00      27.011       1.792      28.803   7.69 0.071 0.800 0.264 1.118     245.058     350.000       9.060   62 
-    620000      124000.00      36.740      -1.096      35.643   7.14 0.143 0.714 0.182 0.672     333.322     350.000       8.704   62 
-    630000      126000.00      45.113       8.735      53.848   6.86 0.000 1.000 0.260 0.477     409.291     350.000       8.931   62 
-    640000      128000.00      32.684      -4.239      28.445   4.84 0.071 0.875 0.222 0.315     296.522     350.000       7.768   62 
-    650000      130000.00      38.637      -4.121      34.516   4.61 0.071 0.833 0.250 1.043     350.535     350.000       7.302   62 
-    660000      132000.00      35.630      -1.950      33.680   8.81 0.143 0.333 0.152 0.268     323.250     350.000      12.138   62 
-    670000      134000.00      42.552      -4.548      38.004   5.98 0.214 0.500 0.242 0.459     386.054     350.000       7.568   62 
-    680000      136000.00      41.124      -5.231      35.892   5.00 0.143 0.750 0.233 0.524     373.097     350.000       7.609   62 
-    690000      138000.00      40.419      -4.106      36.312   3.77 0.286 0.714 0.448 0.456     366.700     350.000       6.921   62 
-    700000      140000.00      39.833      -3.214      36.619   5.34 0.143 0.800 0.418 0.323     361.382     350.000       6.706   62 
-    710000      142000.00      30.790      -8.040      22.750   6.25 0.071 0.900 0.214 0.421     279.346     330.000       8.663   62 
-    720000      144000.00      32.143     -13.051      19.091   5.10 0.071 0.750 0.182 0.505     291.616     330.000       8.167   62 
-    730000      146000.00      30.064       3.096      33.160   7.98 0.143 0.714 0.260 0.872     272.759     330.000      10.091   62 
-    740000      148000.00      32.098      -6.039      26.059   6.17 0.071 0.500 0.136 0.577     291.212     330.000       8.591   62 
-    750000      150000.00      35.680      -2.208      33.472   5.41 0.214 0.750 0.303 0.588     323.705     330.000       7.800   62 
-    760000      152000.00      30.362     -14.871      15.491   5.71 0.143 0.800 0.259 0.670     275.458     330.000       7.890   62 
-    770000      154000.00      24.412      -6.702      17.709   5.67 0.143 0.818 0.298 0.511     221.475     330.000       6.944   62 
-    780000      156000.00      33.927      -1.904      32.023   3.46 0.143 0.750 0.290 0.483     307.802     330.000       7.106   62 
-    790000      158000.00      37.743      -5.127      32.616   6.06 0.143 0.000 0.159 0.395     342.424     330.000       9.474   62 
-    800000      160000.00      36.435      -5.174      31.261   4.17 0.143 0.800 0.332 0.329     330.559     330.000       7.545   62 
-    810000      162000.00      38.231     -10.620      27.610   4.14 0.214 0.625 0.182 0.277     346.847     330.000       7.688   62 
-    820000      164000.00      27.894      -2.774      25.120   4.20 0.071 0.889 0.364 0.509     253.073     330.000       7.940   62 
-    830000      166000.00      33.363      -6.247      27.116   5.31 0.143 0.800 0.441 0.325     302.684     330.000       7.429   62 
-    840000      168000.00      32.783     -11.258      21.525   6.37 0.214 0.400 0.182 0.317     297.424     330.000       8.429   62 
-    850000      170000.00      46.980      -4.751      42.229   4.23 0.071 0.857 0.266 0.471     426.228     330.000       7.338   62 
-    860000      172000.00      31.048      -8.445      22.604   6.55 0.000 1.000 0.329 0.507     281.686     330.000       6.696   62 
-    870000      174000.00      34.796      -7.290      27.506   4.33 0.143 0.833 0.277 0.855     315.692     330.000       7.514   62 
-    880000      176000.00      34.289      -8.543      25.746   2.92 0.214 0.571 0.305 0.230     311.091     330.000       7.356   62 
-    890000      178000.00      33.148       6.218      39.366   5.59 0.143 0.600 0.455 0.465     300.738     330.000       8.983   62 
-    900000      180000.00      31.495      -3.551      27.944   6.42 0.143 0.750 0.182 0.182     285.737     330.000       9.498   62 
-    910000      182000.00      24.844      -7.028      17.815   6.11 0.143 0.750 0.176 0.158     225.394     320.000       8.407   62 
-    920000      184000.00      25.502      -6.968      18.534   7.22 0.214 0.750 0.227 0.378     231.370     320.000       7.577   62 
-    930000      186000.00      37.543     -13.395      24.148   2.73 0.214 0.571 0.312 0.700     340.606     320.000       7.225   62 
-    940000      188000.00      33.831     -10.838      22.993   6.72 0.214 0.700 0.223 1.403     306.935     320.000       7.888   62 
-    950000      190000.00      33.130     -20.646      12.483   3.19 0.286 0.692 0.259 0.198     300.569     320.000       6.992   62 
-    960000      192000.00      24.098     -14.142       9.956   2.31 0.286 0.500 0.364 0.431     218.631     320.000       6.881   62 
-    970000      194000.00      27.686     -13.342      14.344   3.02 0.357 0.500 0.159 0.306     251.182     320.000       6.934   62 
-    980000      196000.00      23.427     -19.445       3.982   2.68 0.357 0.615 0.308 0.374     212.545     320.000       7.491   62 
-    990000      198000.00      32.787     -19.190      13.597   5.27 0.214 0.727 0.219 0.480     297.460     320.000       7.396   62 
-   1000000      200000.00      26.351      -1.555      24.796   7.16 0.071 0.800 0.173 0.380     239.073     320.000      10.257   62 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB063.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB063.stat
deleted file mode 100644
index 6e1372b..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB063.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.118     112.326     152.444  12.87 0.000   NaN   NaN 4.849     363.972     400.000      15.552   63 
-     10000        2000.00      46.726       3.282      50.009   8.40 0.071 0.000 0.136 0.271     423.925     400.000      12.320   63 
-     20000        4000.00      38.680       2.196      40.875   4.58 0.071 0.800 0.273 0.254     350.923     400.000       9.224   63 
-     30000        6000.00      46.184      10.653      56.837   7.19 0.143 0.667 0.174 0.454     419.009     400.000      10.534   63 
-     40000        8000.00      41.699      17.810      59.509   8.67 0.000   NaN   NaN 0.490     378.318     400.000      12.263   63 
-     50000       10000.00      38.437      15.946      54.383   6.78 0.000 1.000 0.227 0.260     348.724     400.000      10.158   63 
-     60000       12000.00      55.269      13.470      68.739   8.05 0.000   NaN   NaN 0.214     501.428     400.000      12.051   63 
-     70000       14000.00      42.774      14.105      56.879   6.45 0.000 1.000 0.216 0.731     388.067     400.000      10.217   63 
-     80000       16000.00      35.747       7.971      43.719   6.12 0.071 0.800 0.282 1.016     324.318     400.000       8.438   63 
-     90000       18000.00      48.054       5.830      53.884   7.63 0.143 0.667 0.167 1.324     435.968     400.000       9.871   63 
-    100000       20000.00      37.958      12.830      50.788   7.65 0.071 0.800 0.236 1.392     344.378     400.000       8.849   63 
-    110000       22000.00      41.066       2.560      43.627   4.04 0.071 0.833 0.273 0.671     372.576     390.000       7.854   63 
-    120000       24000.00      41.364       6.884      48.248   5.53 0.000   NaN   NaN 0.643     375.277     390.000       7.998   63 
-    130000       26000.00      45.551       4.395      49.946   5.17 0.214 0.500 0.197 0.518     413.259     390.000       8.938   63 
-    140000       28000.00      44.431      17.892      62.323   6.93 0.000 1.000 0.136 0.260     403.102     390.000       9.418   63 
-    150000       30000.00      35.230       8.788      44.019   7.01 0.143 0.714 0.318 0.639     319.629     390.000       8.437   63 
-    160000       32000.00      33.190       5.657      38.847   5.21 0.071 0.750 0.523 0.311     301.119     390.000       8.949   63 
-    170000       34000.00      48.614      18.438      67.051   5.61 0.071 0.750 0.284 1.055     441.048     390.000       8.054   63 
-    180000       36000.00      45.331       9.054      54.385   6.15 0.071 0.667 0.394 0.459     411.268     390.000       8.459   63 
-    190000       38000.00      37.792      12.441      50.234   7.20 0.071 0.750 0.193 0.537     342.872     390.000       9.055   63 
-    200000       40000.00      39.798      11.661      51.459   6.87 0.000 1.000 0.295 0.629     361.066     390.000       9.824   63 
-    210000       42000.00      33.417       2.253      35.669   4.75 0.143 0.778 0.434 1.141     303.173     370.000       7.624   63 
-    220000       44000.00      34.779      18.057      52.836   7.82 0.071 0.667 0.227 1.060     315.532     370.000       8.898   63 
-    230000       46000.00      32.733       6.100      38.832   5.06 0.000 1.000 0.510 1.185     296.967     370.000       6.715   63 
-    240000       48000.00      39.516      17.796      57.312   7.22 0.071 0.750 0.170 0.408     358.510     370.000      10.591   63 
-    250000       50000.00      40.580      -6.595      33.985   3.60 0.214 0.500 0.205 0.216     368.158     370.000       7.408   63 
-    260000       52000.00      41.167       6.430      47.597   4.02 0.214 0.400 0.182 0.810     373.488     370.000       8.318   63 
-    270000       54000.00      36.929       6.520      43.449   5.07 0.000 1.000 0.227 0.417     335.036     370.000       7.982   63 
-    280000       56000.00      41.915       8.533      50.448   6.40 0.071 0.875 0.403 0.244     380.276     370.000       7.330   63 
-    290000       58000.00      42.923      -0.400      42.523   6.71 0.143 0.714 0.208 0.378     389.421     370.000       8.905   63 
-    300000       60000.00      31.246       7.721      38.967   6.07 0.071 0.800 0.364 0.406     283.484     370.000       7.008   63 
-    310000       62000.00      38.687      -1.974      36.713   5.54 0.143 0.500 0.193 0.212     350.988     350.000       7.306   63 
-    320000       64000.00      38.493      -0.249      38.244   5.60 0.000 1.000 0.236 0.448     349.229     350.000       8.914   63 
-    330000       66000.00      36.451      19.243      55.694   5.66 0.000 1.000 0.288 0.384     330.703     350.000       9.511   63 
-    340000       68000.00      38.353       9.293      47.647   8.97 0.071 0.750 0.170 0.628     347.961     350.000      12.193   63 
-    350000       70000.00      37.186       5.784      42.969   5.21 0.000 1.000 0.364 0.930     337.368     350.000       7.727   63 
-    360000       72000.00      32.371      -3.593      28.779   7.10 0.214 0.700 0.286 0.355     293.690     350.000       9.092   63 
-    370000       74000.00      31.116       0.729      31.846   4.40 0.214 0.727 0.248 0.690     282.302     350.000       7.076   63 
-    380000       76000.00      41.544      12.308      53.852   6.02 0.000 1.000 0.409 0.945     376.905     350.000       8.363   63 
-    390000       78000.00      28.340      -2.362      25.978   4.75 0.143 0.600 0.264 0.322     257.111     350.000       7.774   63 
-    400000       80000.00      40.021       9.094      49.115   7.23 0.143 0.750 0.244 0.843     363.096     350.000       9.003   63 
-    410000       82000.00      46.906       5.692      52.598   4.52 0.071 0.750 0.261 0.573     425.557     350.000       7.614   63 
-    420000       84000.00      35.310       0.556      35.867   8.23 0.071 0.750 0.159 0.252     320.354     350.000      11.085   63 
-    430000       86000.00      30.675      -5.478      25.197   3.65 0.214 0.500 0.205 0.759     278.300     350.000       8.170   63 
-    440000       88000.00      37.622       4.213      41.835   8.90 0.071 0.800 0.173 1.707     341.324     350.000      11.466   63 
-    450000       90000.00      47.545      -2.067      45.479   6.88 0.000 1.000 0.500 0.640     431.357     350.000       7.875   63 
-    460000       92000.00      41.367       9.335      50.703   5.92 0.000 1.000 0.227 0.580     375.307     350.000       9.324   63 
-    470000       94000.00      38.471       2.960      41.431   5.27 0.143 0.600 0.164 0.765     349.033     350.000       8.181   63 
-    480000       96000.00      36.564     -15.258      21.306   3.89 0.143 0.778 0.424 0.439     331.729     350.000       6.683   63 
-    490000       98000.00      29.881     -13.453      16.428   3.94 0.286 0.714 0.390 1.051     271.094     350.000       6.590   63 
-    500000      100000.00      34.926      15.979      50.905   7.73 0.000 1.000 0.242 0.250     316.871     350.000       8.829   63 
-    510000      102000.00      44.881       8.702      53.583   8.34 0.000 1.000 0.159 0.297     407.183     390.000      10.758   63 
-    520000      104000.00      33.841       9.891      43.732   6.33 0.071 0.667 0.197 0.474     307.024     390.000      10.153   63 
-    530000      106000.00      41.583      20.021      61.605  11.02 0.000 1.000 0.136 0.639     377.267     390.000      14.125   63 
-    540000      108000.00      41.194      24.913      66.107   7.33 0.000   NaN   NaN 0.451     373.732     390.000       8.303   63 
-    550000      110000.00      43.060      17.047      60.107   7.11 0.000   NaN   NaN 0.472     390.666     390.000      10.900   63 
-    560000      112000.00      47.717       5.319      53.037   7.61 0.143 0.333 0.197 0.707     432.916     390.000       9.650   63 
-    570000      114000.00      36.573       0.959      37.532   7.00 0.143 0.333 0.152 0.927     331.810     390.000       9.957   63 
-    580000      116000.00      37.518      11.184      48.701  10.59 0.071 0.000 0.136 0.178     340.379     390.000      13.115   63 
-    590000      118000.00      37.894       3.275      41.169   8.63 0.071 0.500 0.205 0.285     343.793     390.000      12.298   63 
-    600000      120000.00      41.621       6.307      47.928   4.94 0.071 0.800 0.273 0.680     377.609     390.000       8.336   63 
-    610000      122000.00      31.871      22.463      54.334   6.77 0.071 0.667 0.364 0.319     289.150     400.000       9.352   63 
-    620000      124000.00      34.090      17.700      51.790   6.53 0.071 0.500 0.318 0.271     309.281     400.000       8.799   63 
-    630000      126000.00      37.127      13.104      50.232   6.82 0.071 0.000 0.136 0.806     336.836     400.000      10.964   63 
-    640000      128000.00      47.564      14.912      62.475  10.78 0.000   NaN   NaN 0.946     431.521     400.000      14.775   63 
-    650000      130000.00      49.098      12.880      61.978   8.65 0.143 0.000 0.136 1.011     445.441     400.000      11.524   63 
-    660000      132000.00      38.418      16.813      55.231   7.68 0.143 0.333 0.152 0.781     348.546     400.000      11.475   63 
-    670000      134000.00      41.633      13.799      55.432   7.76 0.071 0.857 0.292 0.641     377.715     400.000       8.789   63 
-    680000      136000.00      48.136       4.048      52.184   6.02 0.000 1.000 0.352 0.563     436.714     400.000       8.089   63 
-    690000      138000.00      34.292      12.318      46.610   5.12 0.000 1.000 0.432 0.223     311.114     400.000       9.080   63 
-    700000      140000.00      39.562      16.228      55.790   6.49 0.000 1.000 0.258 0.471     358.927     400.000       8.239   63 
-    710000      142000.00      39.807       6.456      46.263   8.82 0.143 0.714 0.169 0.487     361.154     390.000      11.749   63 
-    720000      144000.00      37.366      20.421      57.787   5.91 0.071 0.667 0.364 0.300     339.008     390.000       8.163   63 
-    730000      146000.00      38.742       6.443      45.185   6.25 0.000 1.000 0.483 1.200     351.485     390.000       8.041   63 
-    740000      148000.00      37.929       3.925      41.854   5.59 0.143 0.750 0.233 0.914     344.116     390.000       7.882   63 
-    750000      150000.00      35.388       4.085      39.473   3.87 0.071 0.875 0.375 0.822     321.057     390.000       8.062   63 
-    760000      152000.00      39.027       9.395      48.422   4.92 0.000 1.000 0.455 0.736     354.077     390.000       8.622   63 
-    770000      154000.00      32.778      10.460      43.238   4.05 0.071 0.800 0.418 0.424     297.379     390.000       7.403   63 
-    780000      156000.00      40.712      12.439      53.151   6.25 0.000   NaN   NaN 0.443     369.362     390.000      10.362   63 
-    790000      158000.00      40.052       8.930      48.982  12.32 0.000   NaN   NaN 0.515     363.368     390.000      15.278   63 
-    800000      160000.00      36.651      20.452      57.103   7.84 0.071 0.800 0.236 0.521     332.520     390.000       9.553   63 
-    810000      162000.00      37.893      15.941      53.833   6.17 0.071 0.800 0.536 0.296     343.781     390.000       9.641   63 
-    820000      164000.00      39.302      14.038      53.340   6.67 0.071 0.750 0.182 0.379     356.572     390.000       9.642   63 
-    830000      166000.00      44.866       2.179      47.044   7.35 0.214 0.250 0.148 0.468     407.045     390.000       9.994   63 
-    840000      168000.00      45.544      12.047      57.591   4.50 0.000 1.000 0.333 0.755     413.194     390.000       7.927   63 
-    850000      170000.00      34.792       4.248      39.040   5.94 0.000 1.000 0.205 0.620     315.650     390.000       9.650   63 
-    860000      172000.00      43.467      12.539      56.005   5.23 0.000 1.000 0.182 0.762     394.351     390.000       9.635   63 
-    870000      174000.00      38.670      20.488      59.157   5.88 0.000 1.000 0.545 0.552     350.832     390.000       8.062   63 
-    880000      176000.00      47.244      12.155      59.399   5.52 0.000 1.000 0.227 0.649     428.619     390.000      10.278   63 
-    890000      178000.00      32.181      11.030      43.211   5.59 0.071 0.667 0.182 0.360     291.967     390.000       8.149   63 
-    900000      180000.00      38.204      13.348      51.552   5.86 0.143 0.333 0.242 0.969     346.607     390.000       9.020   63 
-    910000      182000.00      40.369      -1.156      39.212   6.10 0.071 0.833 0.205 1.210     366.245     380.000       8.794   63 
-    920000      184000.00      38.864      -0.145      38.719   4.79 0.143 0.750 0.506 0.600     352.597     380.000       7.387   63 
-    930000      186000.00      34.559      17.846      52.405   5.70 0.000   NaN   NaN 0.792     313.535     380.000       9.839   63 
-    940000      188000.00      49.832      -4.576      45.256   7.02 0.214 0.667 0.439 0.989     452.098     380.000       7.517   63 
-    950000      190000.00      45.581       3.216      48.798   6.83 0.000 1.000 0.193 1.109     413.538     380.000      10.146   63 
-    960000      192000.00      46.291       1.859      48.150   7.90 0.214 0.727 0.252 1.002     419.979     380.000       8.701   63 
-    970000      194000.00      45.610      17.625      63.234  10.72 0.000   NaN   NaN 0.743     413.796     380.000      14.991   63 
-    980000      196000.00      37.817       9.031      46.849   7.61 0.000 1.000 0.386 0.422     343.097     380.000       8.498   63 
-    990000      198000.00      37.101      22.028      59.130   7.21 0.000 1.000 0.273 0.348     336.602     380.000       9.572   63 
-   1000000      200000.00      46.711       7.077      53.788   4.91 0.000 1.000 0.182 0.275     423.785     380.000       8.653   63 
diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_MD000.cx b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_MD000.cx
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diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_mremd.rst b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_mremd.rst
index e99583a5e2a7aa52702af32d6929668424c27d70..d7585e4f6f2b6d73396ed4e46b917966bc7d5022 100644
GIT binary patch
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z=ek^P_bpNE$f*}marAQd?(8}^76X{i0X%hAgteBCVY7r1m~+u)j5k*woHZVp(5YcK
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zwS1(G_qlw00bS6$hmgWe?8`hiI&ympR79vy^U5rIu3SWBbZkU^@K-Wa{{ie@Cdbw2
zzejGHk$7}8vU=WMiRkxiTqm=I&RMetx<vU@;e8rNtT{z&{r$Ka3~3S?lLwn~f8arh
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za&#LqhmQVc1NBKc)s041;f0GKZdvr#-rzt`_#9xKZYaQPpAjH!ssfukEg08SQEtz?
z16N)rFeR=9jfVcoW9j#Y7LitXywZ?}<ct+G-b(|oGg~30=Qwji+z2g`eqciAHx!X8
bfo;cXfpq@FupesZk{!p^*2Zze|6KnE3!r)h

diff --git a/examples/unres/new/MREMD/ff_1l2y/fort.2 b/examples/unres/new/MREMD/ff_1l2y/fort.2
index 0d079b9..c6b6e0a 100644
--- a/examples/unres/new/MREMD/ff_1l2y/fort.2
+++ b/examples/unres/new/MREMD/ff_1l2y/fort.2
@@ -1,104 +1,113 @@
  Start reading THETA_PDB
  End reading THETA_PDB
- acceleration/energy drift too large   3.43185235855872     
-   16.2196086436649       split increased to            2  itime      613371 
+ acceleration/energy drift too large   8.75469407693134     
+   100.947155014428       split increased to            2  itime      970413 
   itsplit           1
- acceleration/energy drift too large   3.66504533433393     
-   16.2646124086846       split increased to            2  itime      754973 
+ acceleration/energy drift too large   11.9813494885241     
+   151.023155270513       split increased to            2  itime      974224 
   itsplit           1
- acceleration/energy drift too large   7.98091478068989     
-   41.0669583196819       split increased to            2  itime      850487 
+ acceleration/energy drift too large   6.34134188119507     
+   33.8591387762422       split increased to            2  itime      849330 
   itsplit           1
- acceleration/energy drift too large   11.9514259433991     
-   262.197871675325       split increased to            2  itime      943100 
+ acceleration/energy drift too large   10.4386757972384     
+   197.930632539386       split increased to            2  itime      998141 
   itsplit           1
- acceleration/energy drift too large   3.82431546162743     
-   10.2319898340853       split increased to            2  itime      973009 
+ acceleration/energy drift too large   3.29672929989142     
+   75.2614666762338       split increased to            4  itime      998141 
+  itsplit           2
+ acceleration/energy drift too large   2.36653778137160     
+   144.675440167035       split increased to            8  itime      998141 
+  itsplit           4
+ acceleration/energy drift too large   1.12808537973992     
+   126.840116141663       split increased to           16  itime      998141 
+  itsplit           7
+ acceleration/energy drift too large  0.643283558309138     
+   165.191761588105       split increased to           32  itime      998141 
+  itsplit          13
+ acceleration/energy drift too large   10.3943279509865     
+   60.3414655409778       split increased to            2  itime      951163 
+  itsplit           1
+ acceleration/energy drift too large   3.26318326765345     
+   22.1400423103924       split increased to            4  itime      951163 
+  itsplit           2
+ acceleration/energy drift too large   4.46702446482154     
+   12.9174595938524       split increased to            2  itime      841267 
   itsplit           1
- acceleration/energy drift too large   10.1245218337678     
-   137.445161607889       split increased to            2  itime      979219 
+ acceleration/energy drift too large   8.71015825849746     
+   45.9740270072640       split increased to            2  itime      853135 
   itsplit           1
- acceleration/energy drift too large   2.14968786460024     
-   25.7279519847659       split increased to            4  itime      979219 
-  itsplit           2
- acceleration/energy drift too large   8.31037047261400     
-   22.8275131151792       split increased to            2  itime      959998 
+ acceleration/energy drift too large   5.22578093845543     
+   36.3963033292437       split increased to            2  itime      935778 
   itsplit           1
- acceleration/energy drift too large   3.53229258083193     
-   19.4128791103592       split increased to            2  itime      992135 
+ acceleration/energy drift too large   17.2977275225635     
+   300.448750398714       split increased to            2  itime      968761 
   itsplit           1
- acceleration/energy drift too large   2.88306927095639     
-   21.2611731301506       split increased to            4  itime      859517 
-  itsplit           2
- acceleration/energy drift too large   2.92264537993241     
-   10.2930575441355       split increased to            2  itime      937590 
+ acceleration/energy drift too large   6.92954827779004     
+   99.2081768941197       split increased to            2  itime      930381 
   itsplit           1
- acceleration/energy drift too large   3.75304623592573     
-   22.3219390021736       split increased to            2  itime      757120 
+ acceleration/energy drift too large   21.9400879393517     
+   300.553629084162       split increased to            2  itime      944336 
   itsplit           1
- acceleration/energy drift too large   4.59284388361391     
-   22.2039424418907       split increased to            2  itime      823998 
+ acceleration/energy drift too large   2.85510125955739     
+   11.3635262600859       split increased to            2  itime      977572 
   itsplit           1
- acceleration/energy drift too large   3.10461678611688     
-   12.1706051890230       split increased to            2  itime      846447 
+ acceleration/energy drift too large   3.51417377277529     
+   10.8713790550659       split increased to            2  itime      977573 
   itsplit           1
- acceleration/energy drift too large   4.41156084454137     
-   22.1137014241566       split increased to            2  itime      937929 
+ acceleration/energy drift too large   5.10982782323423     
+   16.9370203541357       split increased to            2  itime      911018 
   itsplit           1
- acceleration/energy drift too large   3.50039486112450     
-   15.7458458256481       split increased to            2  itime      944460 
+ acceleration/energy drift too large   17.8509240365023     
+   200.471178398803       split increased to            2  itime      925235 
   itsplit           1
- acceleration/energy drift too large   3.30883759229596     
-   10.6280068948011       split increased to            2  itime      933058 
+ acceleration/energy drift too large   8.91893850848231     
+   51.5063648092223       split increased to            2  itime      961803 
   itsplit           1
- acceleration/energy drift too large   3.20356169837237     
-   11.0128739134781       split increased to            2  itime      964157 
+ acceleration/energy drift too large   4.78009519824987     
+   14.7585639383405       split increased to            2  itime      993826 
   itsplit           1
- acceleration/energy drift too large   4.08691541912856     
-   11.3284357678194       split increased to            2  itime      966017 
+ acceleration/energy drift too large   4.69783633685660     
+   19.9091272165687       split increased to            2  itime      987661 
   itsplit           1
- acceleration/energy drift too large   5.05482930949698     
-   35.9740035589400       split increased to            2  itime      992961 
+ acceleration/energy drift too large   4.07146496621216     
+   10.8616089705807       split increased to            2  itime      982655 
   itsplit           1
- acceleration/energy drift too large   4.34413796683001     
-   27.2331580948769       split increased to            2  itime      937156 
+ acceleration/energy drift too large   3.49986118817264     
+   24.2524197529414       split increased to            2  itime      976295 
   itsplit           1
- acceleration/energy drift too large   9.03779826550718     
-   45.6216772286557       split increased to            2  itime      977435 
+ acceleration/energy drift too large   9.62427395120321     
+   602.413168794923       split increased to            4  itime      976295 
   itsplit           1
- acceleration/energy drift too large   3.72624499567532     
-   26.2077680219199       split increased to            4  itime      959124 
+ acceleration/energy drift too large   1.20185405427270     
+   37.6142270255815       split increased to            8  itime      976295 
   itsplit           1
- acceleration/energy drift too large   6.99293382727552     
-   30.6236565559636       split increased to            2  itime      982498 
+ acceleration/energy drift too large   3.66139523296962     
+   18.8311473470532       split increased to            2  itime      981840 
   itsplit           1
- acceleration/energy drift too large   2.02334623342474     
-   10.6899899600383       split increased to            4  itime      982498 
-  itsplit           2
- acceleration/energy drift too large   4.27348446188953     
-   23.8139989316928       split increased to            2  itime      856575 
+ acceleration/energy drift too large   5.63185918335395     
+   157.601376597025       split increased to            4  itime      688199 
   itsplit           1
- acceleration/energy drift too large   5.06908147335636     
-   14.3300662924125       split increased to            2  itime      949603 
+ acceleration/energy drift too large   1.19767870166086     
+   30.2336531567217       split increased to            8  itime      688199 
   itsplit           1
- acceleration/energy drift too large   13.0761251223644     
-   102.769454457586       split increased to            2  itime      975182 
+ acceleration/energy drift too large   7.13125651258700     
+   17.4197684174688       split increased to            2  itime      708828 
   itsplit           1
- acceleration/energy drift too large   5.09641366178938     
-   62.5190751148624       split increased to            4  itime      975182 
+ acceleration/energy drift too large   6.67624630468350     
+   60.0565026510500       split increased to            2  itime      818987 
   itsplit           1
-   
-   119.207570535317       split increased to            2  itime      945173 
+ acceleration/energy drift too large   2.07847064010115     
+   21.6817010181585       split increased to            4  itime      818987 
+  itsplit           2
+ acceleration/energy drift too large   4.61985170896771     
+   11.7915987073102       split increased to            2  itime      835065 
   itsplit           1
- acceleration/energy drift too large   5.16012279221592     
-   20.0653589051293       split increased to            2  itime      959536 
+ acceleration/energy drift too large   7.26178113403994     
+   33.7065992004155       split increased to            2  itime      934007 
   itsplit           1
- acceleration/energy drift too large   5.90106950681416     
-   25.3122291231396       split increased to            2  itime      959537 
+ acceleration/energy drift too large   4.97149663568859     
+   26.0825181221898       split increased to            2  itime      973247 
   itsplit           1
- acceleration/energy drift too large   1.99528407423275     
-   10.4255266715436       split increased to            4  itime      959537 
-  itsplit           2
- acceleration/energy drift too large   2.81448185751381     
-   12.0799811527520       split increased to            2  itime      997247 
+ acceleration/energy drift too large   7.32517334595591     
+   29.3609714595789       split increased to            2  itime      986402 
   itsplit           1
diff --git a/examples/unres/new/MREMD/ff_1l2y/start.mat b/examples/unres/new/MREMD/ff_1l2y/start.mat
index d7520ca..1940b54 100755
--- a/examples/unres/new/MREMD/ff_1l2y/start.mat
+++ b/examples/unres/new/MREMD/ff_1l2y/start.mat
@@ -1,6 +1,6 @@
 #PBS -N ber-1l2y
 #PBS -q dque
-#PBS -l nodes=8:ppn=8
+#PBS -l nodes=4:ppn=8
 # #PBS -l mem=4gb
 #PBS -l walltime=2:00:00
 
diff --git a/examples/unres/new/MREMD/ff_1l2y/unres.csh b/examples/unres/new/MREMD/ff_1l2y/unres.csh
index e2a4fec..df38307 100755
--- a/examples/unres/new/MREMD/ff_1l2y/unres.csh
+++ b/examples/unres/new/MREMD/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.inp b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.inp
index 08aac01..a527e2f 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.inp
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.inp
@@ -4,7 +4,7 @@ nstep=1000000 ntwe=10000 ntwx=10000 dt=0.20 damax=10.0 lang=0 tbf              &
 tau_bath=1.0 t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=64
 nrep=16 nstex=100000 tlist mlist traj1file rest1file sync nsyn=100000
   250  260  270  280  290  300  310  320  330  340  350  360  370  380  390  400
-    4    4    4    4    4    4    4    4    4    4    4    4    4    4    4    4  
+    2    2    2    2    2    2    2    2    2    2    2    2    2    2    2    2  
 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
 WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
 WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.out_GB000 b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.out_GB000
index 05df6ef..1d79f2c 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.out_GB000
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.out_GB000
@@ -5,50 +5,53 @@
  Output file                     : 1L2Y_MREMD.out_GB000
  
  Sidechain potential file        : 
- /users/czarek/UNRES/export_v3/PARAM/scinter_GB.parm
- SCp potential file              : /users/czarek/UNRES/export_v3/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ p8g-sc
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/czarek/UNRES/export_v3/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/czarek/UNRES/export_v3/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/czarek/UNRES/export_v3/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/czarek/UNRES/export_v3/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/czarek/UNRES/export_v3/PARAM/rotcorr_AM1.parm
- Bond & inertia constant file    : /users/czarek/UNRES/export_v3/PARAM/bond.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
  Bending parameter file          : 
- /users/czarek/UNRES/export_v3/PARAM/thetaml.5parm
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
  Rotamer parameter file          : 
- /users/czarek/UNRES/export_v3/PARAM/scgauss.parm
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
  Threading database              : 
- /users/czarek/UNRES/export_v3/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
- ### LAST MODIFIED  04/08/11 11:00AM by czarek
+ ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 36
- compiled Thu Dec  1 05:12:23 2011
- compiled by czarek@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
- OS release: 2.6.34.8-68.fc13.x86_64 
- OS version: #1 SMP Thu Feb 17 15:03:58 UTC 2011 
+ OS release: 2.6.34.9-69.fc13.x86_64 
+ OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
  flags:
- CPPFLAGS = -DCRYST_BOND -DCRYST_THETA -DCRYST_S...
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
- FC= ifort 
- OPT =  -O3 -ip -w 
+ FC= ifort
+ OPT =  -g -ip -w -CB 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
  FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
  FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
  FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
- BIN = ../bin/unres_120111_mpich1_oldparm.exe
  LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
  ARCH = LINUX
  PP = /lib/cpp -P
  object = unres.o arcos.o cartprint.o chainbuild...
+ GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
+ GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
+ E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
+ E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
  ++++ End of compile info ++++
 
 Potential is GB , exponents are   6 12
@@ -58,8 +61,9 @@ S-S bridge energy:      -5.50
 d0cm:      3.78 akcm:     15.10
 akth:     11.00 akct:     12.00
 v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
- MPI: node=            0  iseed=               -3059742
- ran_num  0.273754117333397     
+ MPI: node=            0  iseed(4)=            0           0         -46
+      -45086
+ ran_num  6.422640197456531E-013
 RMSDBC =        3.0
 RMSDBC1 =        0.5
 RMSDBC1MAX =        1.5
@@ -106,10 +110,10 @@ Velocities will be reset at random every     10000 steps
    340.000000000000        350.000000000000        360.000000000000     
    370.000000000000        380.000000000000        390.000000000000     
    400.000000000000     
- mlist           4           4           4           4           4           4
-           4           4           4           4           4           4
-           4           4           4           4
- Total number of replicas           64
+ mlist           2           2           2           2           2           2
+           2           2           2           2           2           2
+           2           2           2           2
+ Total number of replicas           32
 
 ============================== End of REMD run setup =============================
 
@@ -298,180 +302,110 @@ Replica exchange molecular dynamics (REMD) calculation.
 
  Calling chainbuild
  Calling REMD
- MREMD          64 time before  0.558593750000000     
+ MREMD          32 time before  1.562500000000000E-002
  NREP=          16
- i2rep      1      1      1      1      2      2      2      2      3      3
-      3      3      4      4      4      4      5      5      5      5      6
-      6      6      6      7      7      7      7      8      8      8      8
-      9      9      9      9     10     10     10     10     11     11     11
-     11     12     12     12     12     13     13     13     13     14     14
-     14     14     15     15     15     15     16     16     16     16
+ i2rep      1      1      2      2      3      3      4      4      5      5
+      6      6      7      7      8      8      9      9     10     10     11
+     11     12     12     13     13     14     14     15     15     16     16
  i2set      1      1      1      1      1      1      1      1      1      1
       1      1      1      1      1      1      1      1      1      1      1
       1      1      1      1      1      1      1      1      1      1      1
-      1      1      1      1      1      1      1      1      1      1      1
-      1      1      1      1      1      1      1      1      1      1      1
-      1      1      1      1      1      1      1      1      1      1
  i,j,il,il1,i_index(i,j,il,il1)
-ifirst   1   2   3   4
-  nupa   1:   5   6   7   8
+ifirst   1   2
+  nupa   1:   3   4
 ndowna   1:
-  nupa   2:   5   6   7   8
+  nupa   2:   3   4
 ndowna   2:
-  nupa   3:   5   6   7   8
-ndowna   3:
-  nupa   4:   5   6   7   8
-ndowna   4:
-  nupa   5:   9  10  11  12
-ndowna   5:   1   2   3   4
-  nupa   6:   9  10  11  12
-ndowna   6:   1   2   3   4
-  nupa   7:   9  10  11  12
-ndowna   7:   1   2   3   4
-  nupa   8:   9  10  11  12
-ndowna   8:   1   2   3   4
-  nupa   9:  13  14  15  16
-ndowna   9:   5   6   7   8
-  nupa  10:  13  14  15  16
-ndowna  10:   5   6   7   8
-  nupa  11:  13  14  15  16
-ndowna  11:   5   6   7   8
-  nupa  12:  13  14  15  16
-ndowna  12:   5   6   7   8
-  nupa  13:  17  18  19  20
-ndowna  13:   9  10  11  12
-  nupa  14:  17  18  19  20
-ndowna  14:   9  10  11  12
-  nupa  15:  17  18  19  20
-ndowna  15:   9  10  11  12
-  nupa  16:  17  18  19  20
-ndowna  16:   9  10  11  12
-  nupa  17:  21  22  23  24
-ndowna  17:  13  14  15  16
-  nupa  18:  21  22  23  24
-ndowna  18:  13  14  15  16
-  nupa  19:  21  22  23  24
-ndowna  19:  13  14  15  16
-  nupa  20:  21  22  23  24
-ndowna  20:  13  14  15  16
-  nupa  21:  25  26  27  28
-ndowna  21:  17  18  19  20
-  nupa  22:  25  26  27  28
-ndowna  22:  17  18  19  20
-  nupa  23:  25  26  27  28
-ndowna  23:  17  18  19  20
-  nupa  24:  25  26  27  28
-ndowna  24:  17  18  19  20
-  nupa  25:  29  30  31  32
-ndowna  25:  21  22  23  24
-  nupa  26:  29  30  31  32
-ndowna  26:  21  22  23  24
-  nupa  27:  29  30  31  32
-ndowna  27:  21  22  23  24
-  nupa  28:  29  30  31  32
-ndowna  28:  21  22  23  24
-  nupa  29:  33  34  35  36
-ndowna  29:  25  26  27  28
-  nupa  30:  33  34  35  36
-ndowna  30:  25  26  27  28
-  nupa  31:  33  34  35  36
-ndowna  31:  25  26  27  28
-  nupa  32:  33  34  35  36
-ndowna  32:  25  26  27  28
-  nupa  33:  37  38  39  40
-ndowna  33:  29  30  31  32
-  nupa  34:  37  38  39  40
-ndowna  34:  29  30  31  32
-  nupa  35:  37  38  39  40
-ndowna  35:  29  30  31  32
-  nupa  36:  37  38  39  40
-ndowna  36:  29  30  31  32
-  nupa  37:  41  42  43  44
-ndowna  37:  33  34  35  36
-  nupa  38:  41  42  43  44
-ndowna  38:  33  34  35  36
-  nupa  39:  41  42  43  44
-ndowna  39:  33  34  35  36
-  nupa  40:  41  42  43  44
-ndowna  40:  33  34  35  36
-  nupa  41:  45  46  47  48
-ndowna  41:  37  38  39  40
-  nupa  42:  45  46  47  48
-ndowna  42:  37  38  39  40
-  nupa  43:  45  46  47  48
-ndowna  43:  37  38  39  40
-  nupa  44:  45  46  47  48
-ndowna  44:  37  38  39  40
-  nupa  45:  49  50  51  52
-ndowna  45:  41  42  43  44
-  nupa  46:  49  50  51  52
-ndowna  46:  41  42  43  44
-  nupa  47:  49  50  51  52
-ndowna  47:  41  42  43  44
-  nupa  48:  49  50  51  52
-ndowna  48:  41  42  43  44
-  nupa  49:  53  54  55  56
-ndowna  49:  45  46  47  48
-  nupa  50:  53  54  55  56
-ndowna  50:  45  46  47  48
-  nupa  51:  53  54  55  56
-ndowna  51:  45  46  47  48
-  nupa  52:  53  54  55  56
-ndowna  52:  45  46  47  48
-  nupa  53:  57  58  59  60
-ndowna  53:  49  50  51  52
-  nupa  54:  57  58  59  60
-ndowna  54:  49  50  51  52
-  nupa  55:  57  58  59  60
-ndowna  55:  49  50  51  52
-  nupa  56:  57  58  59  60
-ndowna  56:  49  50  51  52
-  nupa  57:  61  62  63  64
-ndowna  57:  53  54  55  56
-  nupa  58:  61  62  63  64
-ndowna  58:  53  54  55  56
-  nupa  59:  61  62  63  64
-ndowna  59:  53  54  55  56
-  nupa  60:  61  62  63  64
-ndowna  60:  53  54  55  56
-  nupa  61:
-ndowna  61:  57  58  59  60
-  nupa  62:
-ndowna  62:  57  58  59  60
-  nupa  63:
-ndowna  63:  57  58  59  60
-  nupa  64:
-ndowna  64:  57  58  59  60
+  nupa   3:   5   6
+ndowna   3:   1   2
+  nupa   4:   5   6
+ndowna   4:   1   2
+  nupa   5:   7   8
+ndowna   5:   3   4
+  nupa   6:   7   8
+ndowna   6:   3   4
+  nupa   7:   9  10
+ndowna   7:   5   6
+  nupa   8:   9  10
+ndowna   8:   5   6
+  nupa   9:  11  12
+ndowna   9:   7   8
+  nupa  10:  11  12
+ndowna  10:   7   8
+  nupa  11:  13  14
+ndowna  11:   9  10
+  nupa  12:  13  14
+ndowna  12:   9  10
+  nupa  13:  15  16
+ndowna  13:  11  12
+  nupa  14:  15  16
+ndowna  14:  11  12
+  nupa  15:  17  18
+ndowna  15:  13  14
+  nupa  16:  17  18
+ndowna  16:  13  14
+  nupa  17:  19  20
+ndowna  17:  15  16
+  nupa  18:  19  20
+ndowna  18:  15  16
+  nupa  19:  21  22
+ndowna  19:  17  18
+  nupa  20:  21  22
+ndowna  20:  17  18
+  nupa  21:  23  24
+ndowna  21:  19  20
+  nupa  22:  23  24
+ndowna  22:  19  20
+  nupa  23:  25  26
+ndowna  23:  21  22
+  nupa  24:  25  26
+ndowna  24:  21  22
+  nupa  25:  27  28
+ndowna  25:  23  24
+  nupa  26:  27  28
+ndowna  26:  23  24
+  nupa  27:  29  30
+ndowna  27:  25  26
+  nupa  28:  29  30
+ndowna  28:  25  26
+  nupa  29:  31  32
+ndowna  29:  27  28
+  nupa  30:  31  32
+ndowna  30:  27  28
+  nupa  31:
+ndowna  31:  29  30
+  nupa  32:
+ndowna  32:  29  30
                                            REMD Temperature: 250.00000
 ====================MD calculation start====================
  Initial velocities randomly generated
  Initial velocities
-  0   0.12886   0.05495   0.00594      0.00000   0.00000   0.00000
+  0   0.02069   0.05735  -0.16550      0.00000   0.00000   0.00000
   1   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
-  2  -0.15678  -0.01140  -0.13996     -0.01907  -0.05287  -0.09020
-  3   0.13945   0.00982   0.14258     -0.00794  -0.01506   0.13649
-  4   0.08867   0.20048  -0.00070     -0.12014   0.00095  -0.12042
-  5  -0.26468  -0.26163  -0.04016     -0.18982  -0.08866   0.05577
-  6   0.02379  -0.08578   0.00111      0.01956   0.02164   0.06186
-  7   0.12819   0.09785   0.10098      0.02754   0.11147   0.13591
-  8  -0.14509   0.04829  -0.04514     -0.08097  -0.05546   0.05046
-  9   0.00076  -0.06136  -0.11724      0.10533  -0.04728  -0.13041
- 10   0.26677  -0.07152   0.11926      0.06679   0.00076   0.10353
- 11  -0.37573   0.13788  -0.01625      0.00000   0.00000   0.00000
- 12   0.25693  -0.01210   0.07525      0.00000   0.00000   0.00000
- 13  -0.30693   0.08532  -0.09866     -0.02731   0.02783  -0.12092
- 14   0.37412   0.00837  -0.02785      0.22008  -0.17506  -0.02567
- 15  -0.12997  -0.03897   0.10342     -0.05840  -0.13283  -0.09576
- 16  -0.10187  -0.01487   0.01414      0.00000   0.00000   0.00000
- 17   0.07953  -0.04324   0.04216      0.02274  -0.12698  -0.03734
- 18  -0.15697  -0.13183  -0.12179      0.12163  -0.01552  -0.05818
- 19   0.12232   0.08896  -0.00534      0.01069   0.09294  -0.02183
- 20  -0.07573  -0.15222   0.15039      0.06752  -0.08884  -0.20281
- 21   0.00000   0.00000   0.00000      0.05227   0.09999  -0.05798
+  2  -0.32876  -0.20726  -0.00156     -0.06303  -0.02233   0.22619
+  3   0.25246   0.18847   0.12917      0.23917   0.13789   0.08528
+  4   0.09890  -0.10900   0.13430      0.09430  -0.08759   0.02991
+  5   0.05293  -0.08192   0.07599      0.03541   0.02418  -0.13426
+  6   0.01106   0.15012  -0.13429     -0.01486   0.10588  -0.15072
+  7  -0.00922  -0.05032   0.03343     -0.17306   0.05869   0.04136
+  8  -0.01642   0.12268  -0.04117      0.02116   0.09728   0.03398
+  9  -0.24153  -0.01761   0.08700     -0.20570  -0.15587  -0.04194
+ 10   0.12837  -0.05524  -0.16763      0.18636  -0.14195  -0.15819
+ 11  -0.12912   0.12012  -0.00669      0.00000   0.00000   0.00000
+ 12   0.18024  -0.22147   0.01606      0.00000   0.00000   0.00000
+ 13  -0.13972   0.25567   0.06619      0.05987   0.13532   0.09181
+ 14   0.10136  -0.29158   0.14318     -0.02692  -0.08844   0.04927
+ 15   0.13268   0.09441  -0.21684     -0.12710   0.07259   0.06988
+ 16  -0.10926   0.13472   0.13695      0.00000   0.00000   0.00000
+ 17  -0.08222  -0.14474  -0.18471     -0.07262  -0.07774  -0.09353
+ 18   0.22036   0.08274   0.12819     -0.01893   0.09330   0.04480
+ 19  -0.13103  -0.06596  -0.26603     -0.11327  -0.06258  -0.02718
+ 20   0.26050   0.08237   0.51647      0.02143   0.14877   0.17591
+ 21   0.00000   0.00000   0.00000     -0.12529  -0.05874  -0.20044
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
- -1.398625787343875E-017 -2.031580523222126E-017 -5.717010517610002E-018
+  2.286804207044001E-017  1.061730524699000E-017 -3.266863152920001E-018
 
 
               alpha-carbon coordinates            centroid coordinates
@@ -527,7 +461,7 @@ D    22     3.800    90.000   180.000     0.000   180.000   180.000
 
 Virtual-chain energies:
 
-EVDW=     -1.947821E+01 WEIGHT=    1.352790D+00 (SC-SC)
+EVDW=     -1.680592E+01 WEIGHT=    1.352790D+00 (SC-SC)
 EVDW2=     2.387106E+01 WEIGHT=    1.593040D+00 (SC-p)
 EES=      -7.520330E+00 WEIGHT=    8.010569D-01 (p-p)
 EVDWPP=   -2.624923E+01 WEIGHT=    1.137100D-01 (p-p VDW)
@@ -536,7 +470,7 @@ EBE=       1.082023E+00 WEIGHT=    1.138730D+00 (bending)
 ESC=       9.168846E+01 WEIGHT=    1.625800D-01 (SC local)
 ETORS=     2.664535E-15 WEIGHT=    2.223965D+00 (torsional)
 ETORSD=   -2.547586E+00 WEIGHT=    1.930120D+00 (double torsional)
-EHBP=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
+EHPB=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
 ECORR4=   -4.501075E+00 WEIGHT=    5.672548D-01 (multi-body)
 ECORR5=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
 ECORR6=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
@@ -548,5558 +482,4070 @@ ESCCOR=    0.000000E+00 WEIGHT=    0.000000D+00 (backbone-rotamer corr)
 EDIHC=     0.000000E+00 (dihedral angle constraints)
 ESS=       0.000000E+00 (disulfide-bridge intrinsic energy)
 UCONST=     0.000000E+00 (Constraint energy)
-ETOT=      2.138049E+01 (total)
+ETOT=      2.499553E+01 (total)
 
 Initial:
-           Kinetic energy   2.17187E+01
-         potential energy   2.13805E+01
-             total energy   4.30992E+01
+           Kinetic energy   2.63515E+01
+         potential energy   2.49955E+01
+             total energy   5.13470E+01
 
-    maximum acceleration    9.38160E-01
+    maximum acceleration    7.10627E-01
 
- Setup time  0.570312500000000     
+ Setup time  2.343750000000000E-002
+ acceleration/energy drift too large   6.01872884623843     
+   20.2592193941127       split increased to            2  itime         139 
+  itsplit           1
+ acceleration/energy drift too large   5.27112114968694     
+   24.5947094282993       split increased to            2  itime         811 
+  itsplit           1
+ acceleration/energy drift too large   4.11749741993015     
+   10.0233573756981       split increased to            2  itime         812 
+  itsplit           1
+ acceleration/energy drift too large   6.78156239205624     
+   46.6376162381685       split increased to            2  itime        1036 
+  itsplit           1
+ acceleration/energy drift too large   9.31079499697821     
+   31.7226708145899       split increased to            2  itime        2891 
+  itsplit           1
+ acceleration/energy drift too large   6.21988967563635     
+   16.7074784854902       split increased to            2  itime        3759 
+  itsplit           1
+ acceleration/energy drift too large   1.80361188606243     
+   12.1415737284860       split increased to            2  itime        4945 
+  itsplit           1
+ acceleration/energy drift too large   5.12402735643209     
+   29.4650551506901       split increased to            2  itime        5095 
+  itsplit           1
+ acceleration/energy drift too large   2.83404312115991     
+   14.2652706563271       split increased to            2  itime        5279 
+  itsplit           1
+ acceleration/energy drift too large   3.34004923031108     
+   13.9147219048335       split increased to            2  itime        5456 
+  itsplit           1
+ acceleration/energy drift too large   3.94199203323793     
+   14.7105414366802       split increased to            2  itime        5684 
+  itsplit           1
+ acceleration/energy drift too large   4.58176126929386     
+   18.9652642544041       split increased to            2  itime        6659 
+  itsplit           1
+ acceleration/energy drift too large   4.23308137134488     
+   20.0605747926315       split increased to            2  itime        7737 
+  itsplit           1
+ acceleration/energy drift too large   5.69874662777226     
+   13.1487157869994       split increased to            2  itime        8176 
+  itsplit           1
+ acceleration/energy drift too large   8.80799290368255     
+   36.1731351413900       split increased to            2  itime        8328 
+  itsplit           1
+ acceleration/energy drift too large   4.83324003078720     
+   10.4766940200828       split increased to            2  itime        8736 
+  itsplit           1
+ acceleration/energy drift too large   2.74481026144746     
+   15.5635977279567       split increased to            2  itime        9154 
+  itsplit           1
 Velocities reset to random values, time             1999.80
+ acceleration/energy drift too large   14.0404045922975     
+   68.7798479910309       split increased to            2  itime       10160 
+  itsplit           1
+ acceleration/energy drift too large   1.50316818806266     
+   10.5002113048853       split increased to            2  itime       10590 
+  itsplit           1
+ acceleration/energy drift too large   5.43166515803004     
+   13.9130864336143       split increased to            2  itime       11052 
+  itsplit           1
+ acceleration/energy drift too large   4.18833595053208     
+   22.5560767264168       split increased to            2  itime       12025 
+  itsplit           1
+ acceleration/energy drift too large   5.05652196479640     
+   14.4921485139768       split increased to            2  itime       13325 
+  itsplit           1
+ acceleration/energy drift too large   4.45939796981960     
+   16.5366763212833       split increased to            2  itime       15176 
+  itsplit           1
+ acceleration/energy drift too large   2.65463078527267     
+   16.4090157418096       split increased to            2  itime       16444 
+  itsplit           1
+ acceleration/energy drift too large   4.83718887683354     
+   14.1174528410817       split increased to            2  itime       17097 
+  itsplit           1
+ acceleration/energy drift too large   6.31119970893411     
+   16.8460396165817       split increased to            2  itime       19697 
+  itsplit           1
+ acceleration/energy drift too large   4.02987312329386     
+   10.3471546915559       split increased to            2  itime       19819 
+  itsplit           1
+ acceleration/energy drift too large   3.99202782706859     
+   10.0203344095428       split increased to            2  itime       19834 
+  itsplit           1
 Velocities reset to random values, time             3999.80
+ acceleration/energy drift too large   6.16108168523388     
+   17.6884977232375       split increased to            2  itime       22438 
+  itsplit           1
+ acceleration/energy drift too large   2.32814200502473     
+   10.4235372979880       split increased to            4  itime       22438 
+  itsplit           1
+ acceleration/energy drift too large   6.04820859670261     
+   17.2116778245396       split increased to            2  itime       22949 
+  itsplit           1
+ acceleration/energy drift too large   9.39321822080475     
+   40.3009380499136       split increased to            2  itime       24190 
+  itsplit           1
+ acceleration/energy drift too large   12.2349397254060     
+   65.3702132086642       split increased to            2  itime       25430 
+  itsplit           1
+ acceleration/energy drift too large   3.56592545350488     
+   18.7333147770938       split increased to            2  itime       26054 
+  itsplit           1
+ acceleration/energy drift too large   4.94539499627627     
+   11.7236757967914       split increased to            2  itime       27422 
+  itsplit           1
+ acceleration/energy drift too large   6.34859604644822     
+   15.8808952575016       split increased to            2  itime       28830 
+  itsplit           1
+ acceleration/energy drift too large   7.97849023708925     
+   18.7636280341567       split increased to            2  itime       29314 
+  itsplit           1
 Velocities reset to random values, time             5999.80
+ acceleration/energy drift too large   5.71322468319090     
+   13.0840605575853       split increased to            2  itime       30269 
+  itsplit           1
+ acceleration/energy drift too large   6.08204819236797     
+   11.5030063880184       split increased to            2  itime       32467 
+  itsplit           1
+ acceleration/energy drift too large   4.62814684819236     
+   15.4269491395818       split increased to            2  itime       33071 
+  itsplit           1
+ acceleration/energy drift too large   4.70153961675083     
+   13.2205867635956       split increased to            2  itime       37548 
+  itsplit           1
+ acceleration/energy drift too large   4.25311269514877     
+   12.1931048233601       split increased to            2  itime       37870 
+  itsplit           1
 Velocities reset to random values, time             7999.80
+ acceleration/energy drift too large   3.85720530076065     
+   10.7533701949358       split increased to            2  itime       40923 
+  itsplit           1
+ acceleration/energy drift too large   4.70796821872959     
+   10.0261038188810       split increased to            2  itime       42324 
+  itsplit           1
+ acceleration/energy drift too large   3.96818438961114     
+   10.8885252102699       split increased to            2  itime       42612 
+  itsplit           1
+ acceleration/energy drift too large   4.09393162352054     
+   11.5790376309746       split increased to            2  itime       43050 
+  itsplit           1
+ acceleration/energy drift too large   4.11712862523380     
+   11.0072201435151       split increased to            2  itime       44766 
+  itsplit           1
+ acceleration/energy drift too large   2.35382036918792     
+   13.3099228493673       split increased to            2  itime       45474 
+  itsplit           1
+ acceleration/energy drift too large   1.94630935135251     
+   10.9177661801165       split increased to            2  itime       46476 
+  itsplit           1
+ acceleration/energy drift too large   2.06980925461797     
+   11.8933888628329       split increased to            2  itime       47581 
+  itsplit           1
+ acceleration/energy drift too large   9.10461204955003     
+   26.4122572834987       split increased to            2  itime       47995 
+  itsplit           1
+ acceleration/energy drift too large   7.65514960946350     
+   16.0520658295329       split increased to            2  itime       48706 
+  itsplit           1
+ acceleration/energy drift too large   5.00524961909485     
+   15.1658758532439       split increased to            2  itime       48825 
+  itsplit           1
 Velocities reset to random values, time             9999.80
+ acceleration/energy drift too large   4.96256603098756     
+   18.3691428119523       split increased to            2  itime       51876 
+  itsplit           1
+ acceleration/energy drift too large   6.17016796366666     
+   21.0175151708704       split increased to            2  itime       53149 
+  itsplit           1
+ acceleration/energy drift too large   5.29951934386337     
+   31.9533628880177       split increased to            2  itime       53272 
+  itsplit           1
+ acceleration/energy drift too large   4.68375061639108     
+   12.7060473695889       split increased to            2  itime       53395 
+  itsplit           1
+ acceleration/energy drift too large   3.20466394431315     
+   19.7717416088959       split increased to            2  itime       53446 
+  itsplit           1
+ acceleration/energy drift too large   4.85961281423604     
+   11.0926402202715       split increased to            2  itime       54681 
+  itsplit           1
+ acceleration/energy drift too large   4.14153258922024     
+   12.0395465482629       split increased to            2  itime       56699 
+  itsplit           1
+ acceleration/energy drift too large   2.72601920768183     
+   12.3525016323719       split increased to            2  itime       58003 
+  itsplit           1
+ acceleration/energy drift too large   6.55696556129599     
+   14.2429255435316       split increased to            2  itime       58834 
+  itsplit           1
 Velocities reset to random values, time            11999.80
+ acceleration/energy drift too large   7.12474949730125     
+   22.0427565925556       split increased to            2  itime       61766 
+  itsplit           1
+ acceleration/energy drift too large   4.57337960000594     
+   13.0230047455612       split increased to            2  itime       61925 
+  itsplit           1
+ acceleration/energy drift too large   5.02909377016599     
+   11.6681422766353       split increased to            2  itime       62314 
+  itsplit           1
+ acceleration/energy drift too large   6.35545410294304     
+   13.7955727228278       split increased to            2  itime       62315 
+  itsplit           1
+ acceleration/energy drift too large   3.84637140197231     
+   15.8731664253529       split increased to            2  itime       62390 
+  itsplit           1
+ acceleration/energy drift too large   7.51463114258450     
+   37.0097708173328       split increased to            2  itime       62628 
+  itsplit           1
+ acceleration/energy drift too large   2.74527858013029     
+   18.5089597227240       split increased to            2  itime       63937 
+  itsplit           1
+ acceleration/energy drift too large   3.02629594123442     
+   15.2557094699447       split increased to            2  itime       67453 
+  itsplit           1
+ acceleration/energy drift too large   4.88402970109660     
+   12.8773440495137       split increased to            2  itime       67756 
+  itsplit           1
 Velocities reset to random values, time            13999.80
+ acceleration/energy drift too large   4.64262254089198     
+   12.9253616962702       split increased to            2  itime       70092 
+  itsplit           1
+ acceleration/energy drift too large   6.53041013165571     
+   25.3486436718531       split increased to            2  itime       70359 
+  itsplit           1
+ acceleration/energy drift too large   7.57807972570140     
+   25.2793900559892       split increased to            2  itime       72857 
+  itsplit           1
+ acceleration/energy drift too large   9.29548902353072     
+   42.5960306524631       split increased to            2  itime       72991 
+  itsplit           1
+ acceleration/energy drift too large   5.75244529897706     
+   10.9510885251213       split increased to            2  itime       73642 
+  itsplit           1
+ acceleration/energy drift too large   11.4395965515086     
+   60.0948035321383       split increased to            2  itime       74388 
+  itsplit           1
+ acceleration/energy drift too large   2.22631705367035     
+   11.4713659959425       split increased to            2  itime       76683 
+  itsplit           1
+ acceleration/energy drift too large   9.84608215173027     
+   34.3450966126282       split increased to            2  itime       77552 
+  itsplit           1
+ acceleration/energy drift too large   4.20929349125431     
+   17.9775830371482       split increased to            2  itime       79436 
+  itsplit           1
+ acceleration/energy drift too large   4.61379006684879     
+   20.2989056521177       split increased to            2  itime       79589 
+  itsplit           1
 Velocities reset to random values, time            15999.80
+ acceleration/energy drift too large   5.50108596343538     
+   10.6878119019872       split increased to            2  itime       80008 
+  itsplit           1
+ acceleration/energy drift too large   2.37118338977475     
+   10.3256968971107       split increased to            2  itime       81194 
+  itsplit           1
+ acceleration/energy drift too large   4.31667605360844     
+   15.2052353631072       split increased to            2  itime       83700 
+  itsplit           1
+ acceleration/energy drift too large   4.82637085599304     
+   23.3381873707151       split increased to            2  itime       84232 
+  itsplit           1
+ acceleration/energy drift too large   4.96954630655769     
+   30.7957769669266       split increased to            2  itime       84269 
+  itsplit           1
+ acceleration/energy drift too large   3.85455979578227     
+   13.9604757007354       split increased to            2  itime       84376 
+  itsplit           1
+ acceleration/energy drift too large   2.67927691395306     
+   12.2165085498758       split increased to            2  itime       86011 
+  itsplit           1
+ acceleration/energy drift too large   2.91031747948615     
+   13.1206077770531       split increased to            2  itime       86348 
+  itsplit           1
+ acceleration/energy drift too large   6.77072466643258     
+   18.4549273126829       split increased to            2  itime       88337 
+  itsplit           1
+ acceleration/energy drift too large   5.03953151137243     
+   12.7177514592325       split increased to            2  itime       89436 
+  itsplit           1
 Velocities reset to random values, time            17999.80
+ acceleration/energy drift too large   2.11777019420856     
+   10.7749222926264       split increased to            2  itime       92164 
+  itsplit           1
+ acceleration/energy drift too large   1.90319180289364     
+   10.2714078201419       split increased to            2  itime       94344 
+  itsplit           1
+ acceleration/energy drift too large   4.49449982744576     
+   16.6526232289962       split increased to            2  itime       98465 
+  itsplit           1
 Velocities reset to random values, time            19999.80
  REMD synchro at      100000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   48.9648437500000       0.000000000000000E+000
+ REMD gather times=   40.9687500000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
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+ACC   4   280.00000     1.00000    2
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+ACC   6   300.00000     1.00000    2
+ACC   7   310.00000     1.00000    2
+ACC   8   320.00000     0.50000    2
+ACC   9   330.00000     0.50000    2
+ACC  10   340.00000     0.50000    2
+ACC  11   350.00000     1.00000    2
+ACC  12   360.00000     1.00000    2
+ACC  13   370.00000     1.00000    2
+ACC  14   380.00000     1.00000    2
+ACC  15   390.00000     1.00000    2
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   5.30479153111135     
+   32.7183846714053       split increased to            2  itime      100827 
+  itsplit           1
+ acceleration/energy drift too large   9.22099333317887     
+   37.7678774510184       split increased to            2  itime      101064 
+  itsplit           1
+ acceleration/energy drift too large   6.83705434534516     
+   19.7948572520227       split increased to            2  itime      103347 
+  itsplit           1
+ acceleration/energy drift too large   3.62758568381967     
+   13.3868723618269       split increased to            2  itime      104771 
+  itsplit           1
+ acceleration/energy drift too large   1.28740660298988     
+   10.9625518324737       split increased to            2  itime      104877 
+  itsplit           1
+ acceleration/energy drift too large   3.00359038965876     
+   10.9089748353496       split increased to            2  itime      105225 
+  itsplit           1
+ acceleration/energy drift too large   6.59710964322336     
+   19.9436512291436       split increased to            2  itime      105571 
+  itsplit           1
+ acceleration/energy drift too large   2.59450950912824     
+   15.9477257800052       split increased to            2  itime      107435 
+  itsplit           1
+ acceleration/energy drift too large   11.8469126797054     
+   62.6720329303470       split increased to            2  itime      109698 
+  itsplit           1
 Velocities reset to random values, time            21999.80
+ acceleration/energy drift too large   4.67667714775613     
+   14.3220169779296       split increased to            2  itime      114515 
+  itsplit           1
+ acceleration/energy drift too large   1.47149135649588     
+   13.2849595556945       split increased to            2  itime      114516 
+  itsplit           1
+ acceleration/energy drift too large   6.53334308136208     
+   17.1429048544320       split increased to            2  itime      114687 
+  itsplit           1
+ acceleration/energy drift too large   5.49126088265693     
+   15.0726841996235       split increased to            2  itime      116232 
+  itsplit           1
+ acceleration/energy drift too large   2.35083952362108     
+   16.2615651242920       split increased to            2  itime      119069 
+  itsplit           1
+ acceleration/energy drift too large   2.53374937388076     
+   13.7890630887510       split increased to            2  itime      119365 
+  itsplit           1
+ acceleration/energy drift too large   5.68869941458716     
+   17.1251864508609       split increased to            2  itime      119589 
+  itsplit           1
 Velocities reset to random values, time            23999.80
+ acceleration/energy drift too large   3.46875069672194     
+   14.1650871917352       split increased to            2  itime      120024 
+  itsplit           1
+ acceleration/energy drift too large   5.35983273753198     
+   17.7545992959714       split increased to            2  itime      120722 
+  itsplit           1
+ acceleration/energy drift too large   2.69115114165305     
+   12.5578282153985       split increased to            2  itime      121072 
+  itsplit           1
+ acceleration/energy drift too large   8.92426812054165     
+   43.0380153963682       split increased to            2  itime      121593 
+  itsplit           1
+ acceleration/energy drift too large   2.80862827736768     
+   17.8780743426604       split increased to            4  itime      121593 
+  itsplit           1
+ acceleration/energy drift too large   6.44963434250421     
+   27.0704195221939       split increased to            2  itime      123932 
+  itsplit           1
+ acceleration/energy drift too large   11.4204880014522     
+   77.2449800161233       split increased to            2  itime      125528 
+  itsplit           1
+ acceleration/energy drift too large   6.26956083802194     
+   15.0033705470759       split increased to            2  itime      129953 
+  itsplit           1
 Velocities reset to random values, time            25999.80
+ acceleration/energy drift too large   11.9950337692422     
+   66.7445687178871       split increased to            2  itime      131446 
+  itsplit           1
+ acceleration/energy drift too large   7.39799040535664     
+   25.4558017873048       split increased to            2  itime      133388 
+  itsplit           1
+ acceleration/energy drift too large   7.80533028372326     
+   49.8575549355695       split increased to            2  itime      133766 
+  itsplit           1
+ acceleration/energy drift too large   4.57106664339688     
+   11.5383805377247       split increased to            2  itime      135200 
+  itsplit           1
+ acceleration/energy drift too large   2.46638430907786     
+   12.0236663284555       split increased to            2  itime      138415 
+  itsplit           1
 Velocities reset to random values, time            27999.80
+ acceleration/energy drift too large   4.09953985498909     
+   11.4755856424183       split increased to            2  itime      140183 
+  itsplit           1
+ acceleration/energy drift too large   3.04683218402603     
+   11.2554979946582       split increased to            2  itime      140926 
+  itsplit           1
+ acceleration/energy drift too large   3.79217439911290     
+   10.8635749654404       split increased to            2  itime      142747 
+  itsplit           1
+ acceleration/energy drift too large   3.26775080400935     
+   19.8580527907864       split increased to            2  itime      143947 
+  itsplit           1
+ acceleration/energy drift too large   6.91951069605565     
+   21.0009780640194       split increased to            2  itime      144124 
+  itsplit           1
+ acceleration/energy drift too large   4.23198220778981     
+   11.7038874075694       split increased to            2  itime      144960 
+  itsplit           1
+ acceleration/energy drift too large   3.61395855980471     
+   26.7041938628218       split increased to            2  itime      145575 
+  itsplit           1
+ acceleration/energy drift too large   9.06140948726832     
+   38.5046050873916       split increased to            2  itime      146889 
+  itsplit           1
+ acceleration/energy drift too large   4.36632722688913     
+   14.8000149348647       split increased to            2  itime      148748 
+  itsplit           1
+ acceleration/energy drift too large   4.54092210925177     
+   13.4100664026597       split increased to            2  itime      149897 
+  itsplit           1
 Velocities reset to random values, time            29999.80
+ acceleration/energy drift too large   6.47119178764283     
+   10.7719348396560       split increased to            2  itime      151203 
+  itsplit           1
+ acceleration/energy drift too large   8.00413343430371     
+   25.0047637139609       split increased to            2  itime      152674 
+  itsplit           1
+ acceleration/energy drift too large   8.11033650851310     
+   43.2921294888434       split increased to            2  itime      153906 
+  itsplit           1
+ acceleration/energy drift too large   5.73774808748230     
+   41.3121996205828       split increased to            2  itime      154566 
+  itsplit           1
+ acceleration/energy drift too large   4.83658630972499     
+   11.2263777037460       split increased to            2  itime      156598 
+  itsplit           1
+ acceleration/energy drift too large   15.4574211568038     
+   110.492945675102       split increased to            2  itime      157700 
+  itsplit           1
+ acceleration/energy drift too large   2.33923685921131     
+   11.1333985374754       split increased to            4  itime      157700 
+  itsplit           2
+ acceleration/energy drift too large   2.67362685257378     
+   24.5366014360706       split increased to            2  itime      157902 
+  itsplit           1
+ acceleration/energy drift too large   4.20358949652687     
+   15.5833076545541       split increased to            2  itime      158586 
+  itsplit           1
+ acceleration/energy drift too large   7.17712699417804     
+   26.9852030152952       split increased to            2  itime      159307 
+  itsplit           1
 Velocities reset to random values, time            31999.80
+ acceleration/energy drift too large   3.24794940144217     
+   14.2734384626896       split increased to            2  itime      160193 
+  itsplit           1
+ acceleration/energy drift too large   3.43970294419817     
+   10.1171354204279       split increased to            2  itime      160199 
+  itsplit           1
+ acceleration/energy drift too large   2.06897556646671     
+   10.6296009166735       split increased to            2  itime      160200 
+  itsplit           1
+ acceleration/energy drift too large   2.77169775964682     
+   14.7755942435251       split increased to            2  itime      160211 
+  itsplit           1
+ acceleration/energy drift too large   3.42977414913289     
+   11.8186996365778       split increased to            2  itime      160217 
+  itsplit           1
+ acceleration/energy drift too large   3.50975405150415     
+   15.0678438787267       split increased to            2  itime      162389 
+  itsplit           1
+ acceleration/energy drift too large   3.41646887105571     
+   13.0056729464677       split increased to            2  itime      162559 
+  itsplit           1
+ acceleration/energy drift too large   4.20560385169009     
+   12.6608673993539       split increased to            2  itime      162629 
+  itsplit           1
+ acceleration/energy drift too large   8.85761141711838     
+   34.9170962666287       split increased to            2  itime      163319 
+  itsplit           1
+ acceleration/energy drift too large   3.06853395465094     
+   23.2095134557028       split increased to            2  itime      165420 
+  itsplit           1
+ acceleration/energy drift too large   11.5215696811755     
+   73.0001952199420       split increased to            2  itime      167940 
+  itsplit           1
+ acceleration/energy drift too large   14.2581978392574     
+   78.8414676738210       split increased to            2  itime      168392 
+  itsplit           1
+ acceleration/energy drift too large   8.11137643447097     
+   25.7749786429328       split increased to            2  itime      168987 
+  itsplit           1
 Velocities reset to random values, time            33999.80
+ acceleration/energy drift too large   4.94449710560333     
+   27.5960117047999       split increased to            2  itime      170962 
+  itsplit           1
+ acceleration/energy drift too large   5.80114466418178     
+   37.0142957243123       split increased to            2  itime      171123 
+  itsplit           1
+ acceleration/energy drift too large   8.17697353258330     
+   32.5607784627130       split increased to            2  itime      171238 
+  itsplit           1
+ acceleration/energy drift too large   4.67706335661793     
+   13.8446094467380       split increased to            2  itime      171951 
+  itsplit           1
+ acceleration/energy drift too large   3.55821361094147     
+   12.6928119421075       split increased to            2  itime      172153 
+  itsplit           1
+ acceleration/energy drift too large   2.68882159975445     
+   18.7046804242565       split increased to            2  itime      172383 
+  itsplit           1
+ acceleration/energy drift too large   4.81339966386691     
+   11.0429044904753       split increased to            2  itime      173978 
+  itsplit           1
+ acceleration/energy drift too large   6.44559547568225     
+   17.5187311550819       split increased to            2  itime      175581 
+  itsplit           1
 Velocities reset to random values, time            35999.80
+ acceleration/energy drift too large   7.63015780686967     
+   38.2167304588196       split increased to            2  itime      181534 
+  itsplit           1
+ acceleration/energy drift too large   4.24586808539030     
+   27.1452160067227       split increased to            2  itime      184738 
+  itsplit           1
+ acceleration/energy drift too large   2.52604350435751     
+   12.8679021516249       split increased to            2  itime      185131 
+  itsplit           1
+ acceleration/energy drift too large   3.07991978539439     
+   18.4856171599058       split increased to            2  itime      187016 
+  itsplit           1
+ acceleration/energy drift too large   17.2341559140548     
+   109.558196953544       split increased to            2  itime      187263 
+  itsplit           1
+ acceleration/energy drift too large   2.70407111680038     
+   11.9766440019272       split increased to            2  itime      187797 
+  itsplit           1
+ acceleration/energy drift too large   2.85601163420964     
+   10.4667912218996       split increased to            2  itime      187962 
+  itsplit           1
+ acceleration/energy drift too large   3.54860371888249     
+   17.0409764352721       split increased to            2  itime      189108 
+  itsplit           1
 Velocities reset to random values, time            37999.80
+ acceleration/energy drift too large   4.17545222375564     
+   14.0350918790853       split increased to            2  itime      190536 
+  itsplit           1
+ acceleration/energy drift too large   5.38725125175909     
+   13.7194815171194       split increased to            2  itime      192983 
+  itsplit           1
+ acceleration/energy drift too large   4.13121779390983     
+   10.4707404865971       split increased to            2  itime      195632 
+  itsplit           1
+ acceleration/energy drift too large   2.69929022213329     
+   13.1670958223454       split increased to            2  itime      195633 
+  itsplit           1
+ acceleration/energy drift too large   4.30213556284370     
+   16.6021758474957       split increased to            2  itime      196151 
+  itsplit           1
 Velocities reset to random values, time            39999.80
  REMD synchro at      200000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   98.2773437500000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
-   1   310.00000   -28.55583
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-    -1.83632    14.29374    -3.64495     0.00000   -33.28115    73.59227
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-   2   250.00000   -54.53549
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-    -1.15220    13.91112    -2.42642     0.00000   -21.48999    70.61526
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-   4   290.00000   -38.04290
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- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          63  nupa(0,i)           0
- i          16
- i          16  nupa(0,i)           4
- i           6  nupa(0,i)           4
- i           6  nupa(0,i)           4
- i           6  nupa(0,i)           4
- i           6  nupa(0,i)           4
- i           8  nupa(0,i)           4
- i           8  nupa(0,i)           4
- i          31  nupa(0,i)           4
- i          31  nupa(0,i)           4
- i          31  nupa(0,i)           4
- i          52  nupa(0,i)           4
- i          52  nupa(0,i)           4
- i          52  nupa(0,i)           4
- i          52  nupa(0,i)           4
- i          64  nupa(0,i)           4
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
- i          64  nupa(0,i)           0
+ REMD gather times=   82.4257812500000       0.000000000000000E+000
+ REMD writing rst time=  7.812500000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.75000    8
-ACC   2   260.00000     1.00000    8
-ACC   3   270.00000     0.75000    8
-ACC   4   280.00000     0.62500    8
-ACC   5   290.00000     0.62500    8
-ACC   6   300.00000     0.62500    8
-ACC   7   310.00000     0.25000    8
-ACC   8   320.00000     0.75000    8
-ACC   9   330.00000     0.75000    8
-ACC  10   340.00000     0.75000    8
-ACC  11   350.00000     0.75000    8
-ACC  12   360.00000     0.75000    8
-ACC  13   370.00000     1.00000    8
-ACC  14   380.00000     0.75000    8
-ACC  15   390.00000     0.62500    8
+ACC   1   250.00000     0.25000    4
+ACC   2   260.00000     0.25000    4
+ACC   3   270.00000     0.50000    4
+ACC   4   280.00000     0.75000    4
+ACC   5   290.00000     1.00000    4
+ACC   6   300.00000     0.75000    4
+ACC   7   310.00000     0.50000    4
+ACC   8   320.00000     0.75000    4
+ACC   9   330.00000     0.50000    4
+ACC  10   340.00000     0.50000    4
+ACC  11   350.00000     1.00000    4
+ACC  12   360.00000     0.75000    4
+ACC  13   370.00000     1.00000    4
+ACC  14   380.00000     1.00000    4
+ACC  15   390.00000     1.00000    4
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  1.171875000000000E-002
+ acceleration/energy drift too large   7.30090016283820     
+   15.7095332932774       split increased to            2  itime      200041 
+  itsplit           1
+ acceleration/energy drift too large   2.42357508774481     
+   13.8339712481104       split increased to            2  itime      201335 
+  itsplit           1
+ acceleration/energy drift too large   2.56339983715425     
+   16.0371804329780       split increased to            2  itime      201526 
+  itsplit           1
+ acceleration/energy drift too large   7.55589930988574     
+   24.6175594354758       split increased to            2  itime      202603 
+  itsplit           1
+ acceleration/energy drift too large   2.93841099794953     
+   18.6718639219353       split increased to            2  itime      207848 
+  itsplit           1
+ acceleration/energy drift too large   6.57747310707990     
+   24.5034800133647       split increased to            2  itime      208740 
+  itsplit           1
+ acceleration/energy drift too large   2.83168809868655     
+   16.7704745262047       split increased to            2  itime      209346 
+  itsplit           1
+ acceleration/energy drift too large   3.76135969385638     
+   10.4831455893703       split increased to            2  itime      209988 
+  itsplit           1
 Velocities reset to random values, time            41999.80
+ acceleration/energy drift too large   2.68658560955684     
+   20.0265063324112       split increased to            2  itime      211006 
+  itsplit           1
+ acceleration/energy drift too large   7.00458441848942     
+   22.0926248300972       split increased to            2  itime      212729 
+  itsplit           1
+ acceleration/energy drift too large   2.30068733485124     
+   12.1738774115241       split increased to            2  itime      212950 
+  itsplit           1
+ acceleration/energy drift too large   8.55397300503514     
+   31.6111139472683       split increased to            2  itime      213200 
+  itsplit           1
+ acceleration/energy drift too large   2.12345485781168     
+   14.9237985195986       split increased to            2  itime      213449 
+  itsplit           1
+ acceleration/energy drift too large   9.11976435795469     
+   52.2898887375870       split increased to            2  itime      213545 
+  itsplit           1
+ acceleration/energy drift too large   2.88176433900706     
+   11.7912237553042       split increased to            2  itime      214716 
+  itsplit           1
 Velocities reset to random values, time            43999.80
+ acceleration/energy drift too large   4.76808917908119     
+   15.9308946339895       split increased to            2  itime      220144 
+  itsplit           1
+ acceleration/energy drift too large   2.36642618455310     
+   11.0144061062010       split increased to            2  itime      221270 
+  itsplit           1
+ acceleration/energy drift too large   2.92527334489512     
+   15.6715426426950       split increased to            2  itime      221668 
+  itsplit           1
+ acceleration/energy drift too large   3.59894411448008     
+   11.1107191014724       split increased to            2  itime      222058 
+  itsplit           1
+ acceleration/energy drift too large   5.78835431098490     
+   13.3093708837810       split increased to            2  itime      224122 
+  itsplit           1
+ acceleration/energy drift too large   3.99231761831174     
+   12.8986251999848       split increased to            2  itime      225566 
+  itsplit           1
+ acceleration/energy drift too large   5.03770169547065     
+   14.4393902079831       split increased to            2  itime      226145 
+  itsplit           1
+ acceleration/energy drift too large   10.3554665602495     
+   51.5033654655858       split increased to            2  itime      228607 
+  itsplit           1
 Velocities reset to random values, time            45999.80
+ acceleration/energy drift too large   8.05806531710266     
+   28.8555573947498       split increased to            2  itime      231119 
+  itsplit           1
+ acceleration/energy drift too large   3.60727368031391     
+   22.0785135191138       split increased to            2  itime      234080 
+  itsplit           1
+ acceleration/energy drift too large   1.70525784718388     
+   10.7413446217379       split increased to            2  itime      235449 
+  itsplit           1
+ acceleration/energy drift too large   1.57628025985414     
+   11.1728863903929       split increased to            2  itime      235708 
+  itsplit           1
+ acceleration/energy drift too large   3.79752381663291     
+   24.4572348002863       split increased to            2  itime      235813 
+  itsplit           1
+ acceleration/energy drift too large   3.65596796870913     
+   23.1880298720412       split increased to            2  itime      238988 
+  itsplit           1
+ acceleration/energy drift too large   2.71936314809597     
+   18.8825708665668       split increased to            2  itime      239232 
+  itsplit           1
 Velocities reset to random values, time            47999.80
+ acceleration/energy drift too large   2.47032591107281     
+   10.9075046296878       split increased to            2  itime      245214 
+  itsplit           1
+ acceleration/energy drift too large   6.68159249653997     
+   23.4360536297165       split increased to            2  itime      246124 
+  itsplit           1
+ acceleration/energy drift too large   5.17277593040770     
+   11.4891680647349       split increased to            2  itime      249861 
+  itsplit           1
 Velocities reset to random values, time            49999.80
+ acceleration/energy drift too large   5.15567827352112     
+   14.6234668383740       split increased to            2  itime      252279 
+  itsplit           1
+ acceleration/energy drift too large   5.45218898768761     
+   19.6740849541865       split increased to            2  itime      253840 
+  itsplit           1
+ acceleration/energy drift too large   4.27674928918327     
+   12.0560902957838       split increased to            2  itime      256317 
+  itsplit           1
+ acceleration/energy drift too large   5.89510846708766     
+   20.1060453055151       split increased to            2  itime      257318 
+  itsplit           1
 Velocities reset to random values, time            51999.80
+ acceleration/energy drift too large   5.92801510090747     
+   22.8305382087534       split increased to            2  itime      260439 
+  itsplit           1
+ acceleration/energy drift too large   6.18507516147294     
+   19.0999571280660       split increased to            2  itime      263163 
+  itsplit           1
+ acceleration/energy drift too large   7.24020986098480     
+   31.4291107757521       split increased to            2  itime      266460 
+  itsplit           1
+ acceleration/energy drift too large   6.04665066325909     
+   13.2045410376898       split increased to            2  itime      266886 
+  itsplit           1
+ acceleration/energy drift too large   4.66026841148865     
+   20.5167921658422       split increased to            2  itime      266956 
+  itsplit           1
+ acceleration/energy drift too large   5.70423760883707     
+   15.4259467242031       split increased to            2  itime      268777 
+  itsplit           1
+ acceleration/energy drift too large   7.53428887904614     
+   20.2300158871391       split increased to            2  itime      269194 
+  itsplit           1
+ acceleration/energy drift too large   2.60621408685723     
+   16.3155411539841       split increased to            2  itime      269853 
+  itsplit           1
 Velocities reset to random values, time            53999.80
+ acceleration/energy drift too large   5.74325060053348     
+   15.4945115980728       split increased to            2  itime      270770 
+  itsplit           1
+ acceleration/energy drift too large   9.87939218979541     
+   33.7837453874661       split increased to            2  itime      276194 
+  itsplit           1
+ acceleration/energy drift too large   5.21156391837195     
+   10.0979936026060       split increased to            2  itime      276527 
+  itsplit           1
+ acceleration/energy drift too large   6.14672081204588     
+   16.5305278849373       split increased to            2  itime      277215 
+  itsplit           1
+ acceleration/energy drift too large   8.62006136446299     
+   33.8226291806146       split increased to            2  itime      277544 
+  itsplit           1
+ acceleration/energy drift too large   2.60884468541901     
+   12.7434801487574       split increased to            4  itime      277544 
+  itsplit           1
+ acceleration/energy drift too large   5.16077804443159     
+   11.8794425656279       split increased to            2  itime      277758 
+  itsplit           1
+ acceleration/energy drift too large   4.94426554045047     
+   14.8093307012506       split increased to            2  itime      277904 
+  itsplit           1
 Velocities reset to random values, time            55999.80
+ acceleration/energy drift too large   7.17459655174860     
+   13.2412304825822       split increased to            2  itime      282778 
+  itsplit           1
+ acceleration/energy drift too large   4.22641348778808     
+   10.1440059139484       split increased to            2  itime      284911 
+  itsplit           1
+ acceleration/energy drift too large   4.64582996423248     
+   15.4837273910564       split increased to            2  itime      286473 
+  itsplit           1
+ acceleration/energy drift too large   4.08595625781387     
+   11.1460974323839       split increased to            2  itime      286933 
+  itsplit           1
+ acceleration/energy drift too large   2.19067749869458     
+   11.8843351515195       split increased to            2  itime      287486 
+  itsplit           1
 Velocities reset to random values, time            57999.80
+ acceleration/energy drift too large   4.57648020139244     
+   12.5786733316445       split increased to            2  itime      290348 
+  itsplit           1
+ acceleration/energy drift too large   5.80267876042894     
+   17.1998318064312       split increased to            2  itime      291055 
+  itsplit           1
+ acceleration/energy drift too large   8.40274351953998     
+   39.4857927014631       split increased to            2  itime      292852 
+  itsplit           1
+ acceleration/energy drift too large   8.53178193741574     
+   35.1859515915814       split increased to            2  itime      296389 
+  itsplit           1
+ acceleration/energy drift too large   2.40076289210309     
+   18.2372146671887       split increased to            2  itime      296736 
+  itsplit           1
+ acceleration/energy drift too large   1.66755721706243     
+   11.3829331634424       split increased to            2  itime      296804 
+  itsplit           1
+ acceleration/energy drift too large   4.95069416582966     
+   16.5582299633402       split increased to            2  itime      297326 
+  itsplit           1
+ acceleration/energy drift too large   5.44096351126932     
+   13.0203131736102       split increased to            2  itime      297849 
+  itsplit           1
+ acceleration/energy drift too large   1.96041354960641     
+   13.2275501941364       split increased to            2  itime      299073 
+  itsplit           1
 Velocities reset to random values, time            59999.80
  REMD synchro at      300000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   147.941406250000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
-   1   300.00000   -41.86598
-   -39.19089    35.44404   -61.28864   -41.84315     0.00000     0.00000
-    -4.36851    10.13486    -0.89748     0.00000   -31.95306    66.57211
-     7.46355     3.57697     0.00000   -35.94810     9.87937     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   280.00000   -50.68687
-   -38.94731    38.77464   -72.35159   -53.53490     0.00000     0.00000
-     1.95599    14.89914    -3.24289     0.00000   -37.49801    71.77977
-     7.80719    -0.32189     0.00000   -30.67029    13.95301     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   260.00000   -49.25193
-   -37.89117    48.15433   -85.16528   -61.07299     0.00000     0.00000
-     0.41981    14.25576     1.08679     0.00000   -31.43958    85.67044
-     8.04414    -2.21656     0.00000   -21.65285     6.60587     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   290.00000   -36.39428
-   -42.23700    38.11234   -65.27216   -45.98757     0.00000     0.00000
-    -0.17490    14.37861    -2.85211     0.00000   -30.90600    83.51073
-     7.01456    -0.78870     0.00000   -30.97669    17.71607     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   260.00000   -54.22747
-   -42.91653    43.21872   -87.17650   -64.20112     0.00000     0.00000
-    -5.95243    17.36945    -2.24245     0.00000   -35.70418    68.96921
-    10.32766     0.56175     0.00000   -21.17088    14.72730     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   290.00000   -47.11236
-   -43.45351    52.91111  -101.86205   -75.54419     0.00000     0.00000
-    -7.06675    17.58801    -1.96083     0.00000   -27.99806    96.82841
-     9.71261    -0.39591     0.00000    -3.15065     5.47383     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   250.00000   -67.50674
-   -42.23741    96.28984  -193.22912  -151.75177     0.00000     0.00000
-    -0.53560    24.12435     4.98764     0.00000   -28.49679    57.90623
-    13.70839    -2.86164     0.00000    98.21179     9.73083     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   8   310.00000   -30.85764
-   -37.85600    25.96526   -30.34399   -22.24972     0.00000     0.00000
-     8.27868     6.98848     5.69551     0.00000   -28.11279    81.77590
-     1.67968    -1.96064     0.00000   -37.84202    15.76479     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   9   250.00000   -67.90485
-   -48.68604    53.62436  -109.54255   -80.24134     0.00000     0.00000
-    -2.75283    19.34200    -2.13978     0.00000   -30.71829    87.35392
-     9.62865    -0.29611     0.00000    -1.13854     8.17838     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  10   250.00000   -58.14297
-   -44.57531    52.81325  -101.83746   -73.91772     0.00000     0.00000
-    -3.85845    17.35248    -6.19766     0.00000   -27.96374    84.41910
-     6.50370     0.20025     0.00000     4.78798    14.46792     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  11   270.00000   -48.63895
-   -41.48508    46.31919  -101.74683   -72.59343     0.00000     0.00000
-     0.92422    20.54515    -2.98648     0.00000   -31.38762    86.56506
-     9.20558    -0.80144     0.00000     1.16473    15.15706     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  12   260.00000   -54.15550
-   -43.02844    54.29628  -106.09245   -77.11709     0.00000     0.00000
-    -2.64200    20.27156    -1.80634     0.00000   -33.89813    76.92498
-     8.81500    -2.02870     0.00000    18.54811    12.56821     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  13   280.00000   -53.93795
-   -45.73545    51.78219  -100.75607   -73.39920     0.00000     0.00000
-    -7.88794    18.32365    -0.44969     0.00000   -33.43352    63.65450
-    10.56280     0.11865     0.00000     6.75046     9.36672     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  14   280.00000   -48.53469
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- i          52  nupa(0,i)           0
- i           7
- i           7  nupa(0,i)           4
- i          10  nupa(0,i)           4
- i          10  nupa(0,i)           4
- i          20  nupa(0,i)           4
- i          20  nupa(0,i)           4
- i          20  nupa(0,i)           4
- i           8  nupa(0,i)           4
- i           8  nupa(0,i)           4
- i          46  nupa(0,i)           4
- i          46  nupa(0,i)           4
- i          46  nupa(0,i)           4
- i          46  nupa(0,i)           4
- i          46  nupa(0,i)           4
- i          59  nupa(0,i)           4
- i          59  nupa(0,i)           4
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          12
- i          12  nupa(0,i)           4
- i          12  nupa(0,i)           4
- i          12  nupa(0,i)           4
- i           2  nupa(0,i)           4
- i           2  nupa(0,i)           4
- i           2  nupa(0,i)           4
- i          33  nupa(0,i)           4
- i          33  nupa(0,i)           4
- i          38  nupa(0,i)           4
- i          38  nupa(0,i)           4
- i          30  nupa(0,i)           4
- i          30  nupa(0,i)           4
- i          30  nupa(0,i)           4
- i          30  nupa(0,i)           4
- i          30  nupa(0,i)           4
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i          30  nupa(0,i)           0
- i           7
- i           7  nupa(0,i)           4
- i          24  nupa(0,i)           4
- i          24  nupa(0,i)           4
- i           6  nupa(0,i)           4
- i           6  nupa(0,i)           4
- i          28  nupa(0,i)           4
- i          28  nupa(0,i)           4
- i          25  nupa(0,i)           4
- i          25  nupa(0,i)           4
- i          25  nupa(0,i)           4
- i          54  nupa(0,i)           4
- i          54  nupa(0,i)           4
- i          62  nupa(0,i)           4
- i          62  nupa(0,i)           4
- i          62  nupa(0,i)           4
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
- i          62  nupa(0,i)           0
+ REMD gather times=   124.101562500000       0.000000000000000E+000
+ REMD writing rst time=  7.812500000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.66667   12
-ACC   2   260.00000     0.91667   12
-ACC   3   270.00000     0.50000   12
-ACC   4   280.00000     0.66667   12
-ACC   5   290.00000     0.66667   12
-ACC   6   300.00000     0.50000   12
-ACC   7   310.00000     0.41667   12
-ACC   8   320.00000     0.58333   12
-ACC   9   330.00000     0.83333   12
-ACC  10   340.00000     0.66667   12
-ACC  11   350.00000     0.83333   12
-ACC  12   360.00000     0.75000   12
-ACC  13   370.00000     0.83333   12
-ACC  14   380.00000     0.83333   12
-ACC  15   390.00000     0.75000   12
+ACC   1   250.00000     0.16667    6
+ACC   2   260.00000     0.16667    6
+ACC   3   270.00000     0.66667    6
+ACC   4   280.00000     0.83333    6
+ACC   5   290.00000     0.83333    6
+ACC   6   300.00000     0.83333    6
+ACC   7   310.00000     0.66667    6
+ACC   8   320.00000     0.66667    6
+ACC   9   330.00000     0.66667    6
+ACC  10   340.00000     0.50000    6
+ACC  11   350.00000     1.00000    6
+ACC  12   360.00000     0.83333    6
+ACC  13   370.00000     0.83333    6
+ACC  14   380.00000     1.00000    6
+ACC  15   390.00000     1.00000    6
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  1.171875000000000E-002
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   11.8835850656472     
+   59.3605813372361       split increased to            2  itime      300687 
+  itsplit           1
+ acceleration/energy drift too large   3.03188083380591     
+   20.0776219255604       split increased to            2  itime      302450 
+  itsplit           1
+ acceleration/energy drift too large   7.18724375516662     
+   18.8235967892789       split increased to            2  itime      307116 
+  itsplit           1
+ acceleration/energy drift too large   5.23440751513935     
+   15.5328261688308       split increased to            2  itime      307978 
+  itsplit           1
+ acceleration/energy drift too large   5.18891311133133     
+   11.5486517135082       split increased to            2  itime      309048 
+  itsplit           1
 Velocities reset to random values, time            61999.80
+ acceleration/energy drift too large   5.94596316829142     
+   15.6697169716881       split increased to            2  itime      310771 
+  itsplit           1
+ acceleration/energy drift too large   4.50128909677026     
+   11.7188941428861       split increased to            2  itime      311184 
+  itsplit           1
+ acceleration/energy drift too large   2.88727459001362     
+   17.0613881289454       split increased to            2  itime      315121 
+  itsplit           1
+ acceleration/energy drift too large   5.99451845301504     
+   14.7446320304424       split increased to            2  itime      316666 
+  itsplit           1
+ acceleration/energy drift too large   4.69555790040009     
+   10.2635773873968       split increased to            2  itime      316770 
+  itsplit           1
+ acceleration/energy drift too large   5.61109984052246     
+   23.5248838504998       split increased to            2  itime      317009 
+  itsplit           1
+ acceleration/energy drift too large   3.97626273882810     
+   10.7050158097533       split increased to            2  itime      318451 
+  itsplit           1
+ acceleration/energy drift too large   3.93026888825868     
+   14.4340790296369       split increased to            2  itime      319151 
+  itsplit           1
+ acceleration/energy drift too large   3.76885090296648     
+   18.0826927449576       split increased to            2  itime      319805 
+  itsplit           1
 Velocities reset to random values, time            63999.80
+ acceleration/energy drift too large   4.08803942705843     
+   11.8205873394884       split increased to            2  itime      322007 
+  itsplit           1
+ acceleration/energy drift too large   3.92579781793047     
+   15.7690873890693       split increased to            2  itime      323090 
+  itsplit           1
+ acceleration/energy drift too large   4.27265135737032     
+   14.1668109960266       split increased to            2  itime      325937 
+  itsplit           1
+ acceleration/energy drift too large   5.43768307623320     
+   23.9371557270110       split increased to            2  itime      328670 
+  itsplit           1
+ acceleration/energy drift too large   4.21832835656375     
+   31.0777205779123       split increased to            2  itime      328707 
+  itsplit           1
+ acceleration/energy drift too large   1.70192975547704     
+   10.4776889889865       split increased to            2  itime      328842 
+  itsplit           1
 Velocities reset to random values, time            65999.80
+ acceleration/energy drift too large   2.00267703933908     
+   15.3628840282712       split increased to            2  itime      330736 
+  itsplit           1
+ acceleration/energy drift too large   1.95149143561907     
+   12.0354335193892       split increased to            2  itime      331015 
+  itsplit           1
+ acceleration/energy drift too large   8.50880094431559     
+   36.0291693574321       split increased to            2  itime      331576 
+  itsplit           1
+ acceleration/energy drift too large   4.11280909622188     
+   12.6777598090510       split increased to            2  itime      332833 
+  itsplit           1
+ acceleration/energy drift too large   2.22760588862768     
+   10.8649737769088       split increased to            2  itime      333353 
+  itsplit           1
+ acceleration/energy drift too large   2.49037525269784     
+   14.4140412569917       split increased to            2  itime      333954 
+  itsplit           1
+ acceleration/energy drift too large   9.35824594007578     
+   38.9619479321842       split increased to            2  itime      334287 
+  itsplit           1
+ acceleration/energy drift too large   3.04840990182969     
+   11.3509207152102       split increased to            2  itime      335521 
+  itsplit           1
+ acceleration/energy drift too large   3.61934285190469     
+   25.7081689100085       split increased to            2  itime      336824 
+  itsplit           1
+ acceleration/energy drift too large   5.95062799615278     
+   17.9255368522967       split increased to            2  itime      339137 
+  itsplit           1
 Velocities reset to random values, time            67999.80
+ acceleration/energy drift too large   3.45314811481441     
+   10.0210100363967       split increased to            2  itime      341392 
+  itsplit           1
+ acceleration/energy drift too large   1.58845073930669     
+   10.6098090008530       split increased to            2  itime      341393 
+  itsplit           1
+ acceleration/energy drift too large   6.21668524740143     
+   14.9376410344947       split increased to            2  itime      344017 
+  itsplit           1
+ acceleration/energy drift too large   10.3177225098124     
+   50.2717257267007       split increased to            2  itime      345783 
+  itsplit           1
+ acceleration/energy drift too large   6.39059870300033     
+   23.5681868470340       split increased to            2  itime      346085 
+  itsplit           1
+ acceleration/energy drift too large   9.20679280045481     
+   37.6232587936596       split increased to            2  itime      347528 
+  itsplit           1
+ acceleration/energy drift too large   6.59503915040581     
+   19.6680568385312       split increased to            2  itime      347864 
+  itsplit           1
+ acceleration/energy drift too large   2.65626970328201     
+   10.9481060188250       split increased to            2  itime      347865 
+  itsplit           1
+ acceleration/energy drift too large   5.49042150473414     
+   12.9021779746950       split increased to            2  itime      348025 
+  itsplit           1
 Velocities reset to random values, time            69999.80
+ acceleration/energy drift too large   5.97944405569452     
+   20.1039031952161       split increased to            2  itime      351493 
+  itsplit           1
+ acceleration/energy drift too large   15.2963949499821     
+   103.353946536942       split increased to            2  itime      352446 
+  itsplit           1
+ acceleration/energy drift too large   3.06470587628376     
+   14.3345739538126       split increased to            2  itime      353215 
+  itsplit           1
+ acceleration/energy drift too large   5.57433151031143     
+   38.2541405007332       split increased to            2  itime      353228 
+  itsplit           1
+ acceleration/energy drift too large   5.39193319947123     
+   12.4747610144976       split increased to            2  itime      355975 
+  itsplit           1
+ acceleration/energy drift too large   6.18131488988839     
+   12.9297812066157       split increased to            2  itime      356620 
+  itsplit           1
+ acceleration/energy drift too large   6.22923911003962     
+   19.7207711455965       split increased to            2  itime      358243 
+  itsplit           1
 Velocities reset to random values, time            71999.80
+ acceleration/energy drift too large   3.87235344064219     
+   10.1210735436387       split increased to            2  itime      360556 
+  itsplit           1
+ acceleration/energy drift too large   2.86176734731506     
+   23.9901172813311       split increased to            2  itime      361159 
+  itsplit           1
+ acceleration/energy drift too large   2.99764827998036     
+   11.5689534933833       split increased to            2  itime      362896 
+  itsplit           1
+ acceleration/energy drift too large   5.58999297362174     
+   13.6066182154703       split increased to            2  itime      365252 
+  itsplit           1
+ acceleration/energy drift too large   3.97199902684499     
+   22.5436941512342       split increased to            2  itime      365611 
+  itsplit           1
+ acceleration/energy drift too large   4.21567840004456     
+   10.6009727213378       split increased to            2  itime      367534 
+  itsplit           1
 Velocities reset to random values, time            73999.80
+ acceleration/energy drift too large   5.91942291413027     
+   20.7471231299233       split increased to            2  itime      370129 
+  itsplit           1
+ acceleration/energy drift too large   6.25563074698015     
+   23.8579054180979       split increased to            2  itime      374181 
+  itsplit           1
+ acceleration/energy drift too large   3.84134767331433     
+   12.1971843818663       split increased to            2  itime      374295 
+  itsplit           1
+ acceleration/energy drift too large   4.24090764754051     
+   11.2489538446443       split increased to            2  itime      374597 
+  itsplit           1
+ acceleration/energy drift too large   5.48727927291931     
+   33.2378616431118       split increased to            2  itime      375491 
+  itsplit           1
+ acceleration/energy drift too large   4.14974596991423     
+   21.5975911906477       split increased to            2  itime      376451 
+  itsplit           1
+ acceleration/energy drift too large   5.59031435196680     
+   10.2633124685847       split increased to            2  itime      377003 
+  itsplit           1
+ acceleration/energy drift too large   3.73198654291689     
+   17.8973424463536       split increased to            2  itime      377712 
+  itsplit           1
 Velocities reset to random values, time            75999.80
+ acceleration/energy drift too large   10.2393218649492     
+   59.1942278126544       split increased to            2  itime      380872 
+  itsplit           1
+ acceleration/energy drift too large   3.20515871787138     
+   15.4418107051870       split increased to            2  itime      381099 
+  itsplit           1
+ acceleration/energy drift too large   8.87256116114153     
+   39.4609076906812       split increased to            2  itime      381911 
+  itsplit           1
+ acceleration/energy drift too large   3.64874574606788     
+   16.9939705715486       split increased to            2  itime      382370 
+  itsplit           1
+ acceleration/energy drift too large   6.79420380742341     
+   29.8186737799615       split increased to            2  itime      382471 
+  itsplit           1
+ acceleration/energy drift too large   10.3675808868022     
+   52.2640308590989       split increased to            2  itime      385042 
+  itsplit           1
+ acceleration/energy drift too large   5.48088579585186     
+   10.0756626819146       split increased to            2  itime      385578 
+  itsplit           1
+ acceleration/energy drift too large   2.09137444106022     
+   13.4934710508630       split increased to            2  itime      388224 
+  itsplit           1
+ acceleration/energy drift too large   8.44874727981708     
+   31.8804504890599       split increased to            2  itime      389246 
+  itsplit           1
 Velocities reset to random values, time            77999.80
+ acceleration/energy drift too large   5.23778880725004     
+   21.7315411929465       split increased to            2  itime      390309 
+  itsplit           1
+ acceleration/energy drift too large   5.31767249130026     
+   11.6382724895183       split increased to            2  itime      393673 
+  itsplit           1
+ acceleration/energy drift too large   4.35515625559030     
+   13.2041317374769       split increased to            2  itime      393899 
+  itsplit           1
+ acceleration/energy drift too large   3.00916457256979     
+   19.9929199155991       split increased to            2  itime      395128 
+  itsplit           1
+ acceleration/energy drift too large   7.18287904236072     
+   17.2442328139823       split increased to            2  itime      395629 
+  itsplit           1
+ acceleration/energy drift too large   4.95402334956287     
+   10.5139037712410       split increased to            2  itime      396033 
+  itsplit           1
+ acceleration/energy drift too large   8.65499609457530     
+   27.8476204575101       split increased to            2  itime      396532 
+  itsplit           1
+ acceleration/energy drift too large   6.36182556517703     
+   21.8885867397166       split increased to            2  itime      396890 
+  itsplit           1
+ acceleration/energy drift too large   2.86024237243479     
+   15.7876634364277       split increased to            4  itime      396890 
+  itsplit           1
+ acceleration/energy drift too large   5.13634510980324     
+   18.5477778744243       split increased to            2  itime      397527 
+  itsplit           1
 Velocities reset to random values, time            79999.80
  REMD synchro at      400000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   197.652343750000       0.000000000000000E+000
- REMD writing rst time=  7.812500000000000E-003
+ REMD gather times=   165.867187500000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
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-   -18.97762    12.82796   -10.95780    -5.86631     0.00000     0.00000
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-     3.29460    -0.45099     0.00000   -19.21102    20.39724     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  58   360.00000   -15.41328
-   -19.75003    15.98726   -13.46378    -7.48441     0.00000     0.00000
-     5.74895     2.48858     4.61176     0.00000   -28.37954    62.55587
-     2.55843     0.75071     0.00000   -23.60587    10.00087     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  59   400.00000     3.12972
-   -20.94173    11.23947    -7.61670    -3.68706     0.00000     0.00000
-    13.42326     4.44469     5.19336     0.00000   -20.29077   120.04933
-     1.19495    -1.95953     0.00000   -16.28942    16.48710     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  60   380.00000    -6.87245
-   -23.78304    15.33808   -13.27589    -7.67762     0.00000     0.00000
-     5.52741     3.96744     4.69860     0.00000   -21.59667    88.37544
-     1.59585    -0.81670     0.00000   -23.14621    14.81539     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  61   400.00000    -0.48691
-   -20.80037    12.42366    -8.97881    -5.02501     0.00000     0.00000
-     3.47986     4.57305     3.61722     0.00000   -18.19747    83.33620
-     0.45581    -0.22125     0.00000   -18.23891    16.48717     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  62   400.00000     1.50647
-   -18.51427    11.09131    -5.45872    -2.92979     0.00000     0.00000
-     4.76287     4.12226     3.55818     0.00000   -24.72795   113.67513
-     1.11699     0.44251     0.00000   -14.94908    15.84604     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  63   400.00000    14.59621
-   -17.03341    13.84576   -11.48071    -6.85789     0.00000     0.00000
-     7.64658     4.83533     3.33701     0.00000   -22.20332    98.77777
-     2.60037     0.33530     0.00000   -19.00331    23.58161     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  64   390.00000   -13.86216
-   -33.67658    23.12410   -26.55163   -16.08352     0.00000     0.00000
-     4.13325     6.54593     3.88879     0.00000   -24.05607   100.86085
-     4.85160     0.02229     0.00000   -29.13791    11.38169     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           4  nodes          64
- remd_m(1)           4
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- i          62  nupa(0,i)           0
  NREP          16
-ACC   1   250.00000     0.56250   16
-ACC   2   260.00000     0.81250   16
-ACC   3   270.00000     0.50000   16
-ACC   4   280.00000     0.56250   16
-ACC   5   290.00000     0.56250   16
-ACC   6   300.00000     0.43750   16
-ACC   7   310.00000     0.43750   16
-ACC   8   320.00000     0.56250   16
-ACC   9   330.00000     0.75000   16
-ACC  10   340.00000     0.75000   16
-ACC  11   350.00000     0.87500   16
-ACC  12   360.00000     0.68750   16
-ACC  13   370.00000     0.87500   16
-ACC  14   380.00000     0.81250   16
-ACC  15   390.00000     0.81250   16
+ACC   1   250.00000     0.25000    8
+ACC   2   260.00000     0.25000    8
+ACC   3   270.00000     0.62500    8
+ACC   4   280.00000     0.75000    8
+ACC   5   290.00000     0.75000    8
+ACC   6   300.00000     0.87500    8
+ACC   7   310.00000     0.62500    8
+ACC   8   320.00000     0.62500    8
+ACC   9   330.00000     0.75000    8
+ACC  10   340.00000     0.62500    8
+ACC  11   350.00000     0.87500    8
+ACC  12   360.00000     0.75000    8
+ACC  13   370.00000     0.62500    8
+ACC  14   380.00000     1.00000    8
+ACC  15   390.00000     0.87500    8
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  1.171875000000000E-002
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   4.08131104433865     
+   28.1214069943210       split increased to            2  itime      400520 
+  itsplit           1
+ acceleration/energy drift too large   2.68546289740008     
+   19.2504803511104       split increased to            2  itime      401559 
+  itsplit           1
+ acceleration/energy drift too large   3.65092498874972     
+   12.7372514704889       split increased to            2  itime      402250 
+  itsplit           1
+ acceleration/energy drift too large   3.69529495445388     
+   10.5592900051384       split increased to            2  itime      402558 
+  itsplit           1
+ acceleration/energy drift too large   8.58321631406168     
+   35.5301679067614       split increased to            2  itime      403454 
+  itsplit           1
+ acceleration/energy drift too large   5.89506313455245     
+   22.5097543780549       split increased to            2  itime      404329 
+  itsplit           1
+ acceleration/energy drift too large   2.42166556921768     
+   10.2095056219588       split increased to            2  itime      405408 
+  itsplit           1
+ acceleration/energy drift too large   5.82335807818702     
+   10.8549644336888       split increased to            2  itime      406497 
+  itsplit           1
+ acceleration/energy drift too large   6.09315136008160     
+   16.0551397541081       split increased to            2  itime      406736 
+  itsplit           1
+ acceleration/energy drift too large   6.10829318400511     
+   30.0463360999633       split increased to            2  itime      407121 
+  itsplit           1
+ acceleration/energy drift too large   6.79774409551392     
+   26.7507801989400       split increased to            2  itime      409603 
+  itsplit           1
+ acceleration/energy drift too large   4.63909560024811     
+   11.1537360813933       split increased to            2  itime      409648 
+  itsplit           1
 Velocities reset to random values, time            81999.80
+ acceleration/energy drift too large   3.44189022432154     
+   21.7710428922571       split increased to            2  itime      413946 
+  itsplit           1
+ acceleration/energy drift too large   5.10165621132056     
+   12.5489215229761       split increased to            2  itime      413975 
+  itsplit           1
+ acceleration/energy drift too large   3.68775356786942     
+   15.0518447274982       split increased to            2  itime      413976 
+  itsplit           1
+ acceleration/energy drift too large   5.73712258860992     
+   28.4695493296148       split increased to            2  itime      414140 
+  itsplit           1
+ acceleration/energy drift too large   5.57709538150628     
+   11.9589836077116       split increased to            2  itime      414583 
+  itsplit           1
+ acceleration/energy drift too large   2.39252674362135     
+   17.6382499065707       split increased to            2  itime      416651 
+  itsplit           1
+ acceleration/energy drift too large   4.63784037850490     
+   16.1308152674910       split increased to            2  itime      416711 
+  itsplit           1
+ acceleration/energy drift too large   2.66129801062715     
+   10.0309315599572       split increased to            2  itime      419592 
+  itsplit           1
+ acceleration/energy drift too large   2.77020354478237     
+   10.2650644471345       split increased to            2  itime      419919 
+  itsplit           1
 Velocities reset to random values, time            83999.80
+ acceleration/energy drift too large   2.97696674649760     
+   17.7250677071281       split increased to            2  itime      421250 
+  itsplit           1
+ acceleration/energy drift too large   2.96875111277707     
+   17.2227980858951       split increased to            2  itime      422059 
+  itsplit           1
+ acceleration/energy drift too large   4.68122032429797     
+   26.9812980480402       split increased to            2  itime      423154 
+  itsplit           1
+ acceleration/energy drift too large   2.26424666114932     
+   13.0007141827916       split increased to            2  itime      424789 
+  itsplit           1
+ acceleration/energy drift too large   4.67513722974459     
+   12.0557143057046       split increased to            2  itime      425202 
+  itsplit           1
+ acceleration/energy drift too large   2.71592608059469     
+   12.2888955798954       split increased to            2  itime      427298 
+  itsplit           1
+ acceleration/energy drift too large   10.1089063652153     
+   46.1714055530536       split increased to            2  itime      427584 
+  itsplit           1
+ acceleration/energy drift too large   5.14945938779930     
+   20.2003085866792       split increased to            2  itime      429063 
+  itsplit           1
 Velocities reset to random values, time            85999.80
+ acceleration/energy drift too large   2.89783185551242     
+   23.2076019551570       split increased to            2  itime      431683 
+  itsplit           1
+ acceleration/energy drift too large   5.65681766975093     
+   20.2744130535160       split increased to            2  itime      432934 
+  itsplit           1
+ acceleration/energy drift too large   4.42669842749397     
+   11.0745023704507       split increased to            2  itime      433314 
+  itsplit           1
+ acceleration/energy drift too large   2.64300034012740     
+   19.7197273095589       split increased to            2  itime      433909 
+  itsplit           1
+ acceleration/energy drift too large   5.27669373346948     
+   17.2535025548032       split increased to            2  itime      434027 
+  itsplit           1
+ acceleration/energy drift too large   4.19082813980399     
+   11.3353741850572       split increased to            2  itime      434266 
+  itsplit           1
+ acceleration/energy drift too large   3.83123080852383     
+   22.5494514024701       split increased to            2  itime      434268 
+  itsplit           1
+ acceleration/energy drift too large   13.3843247843890     
+   97.0198699757399       split increased to            2  itime      437216 
+  itsplit           1
+ acceleration/energy drift too large   3.21453272257655     
+   24.0262884531644       split increased to            2  itime      437643 
+  itsplit           1
+ acceleration/energy drift too large   5.58309206386641     
+   34.8731192386739       split increased to            2  itime      437865 
+  itsplit           1
+ acceleration/energy drift too large   4.08927457417570     
+   18.8614037483303       split increased to            2  itime      439344 
+  itsplit           1
 Velocities reset to random values, time            87999.80
+ acceleration/energy drift too large   2.84092081062721     
+   18.2818596292938       split increased to            2  itime      440902 
+  itsplit           1
+ acceleration/energy drift too large   7.61378505729166     
+   27.9273058029887       split increased to            2  itime      441207 
+  itsplit           1
+ acceleration/energy drift too large   6.71741245272129     
+   18.3666169032081       split increased to            2  itime      441498 
+  itsplit           1
+ acceleration/energy drift too large   2.09797310899579     
+   15.8538736910526       split increased to            2  itime      441964 
+  itsplit           1
+ acceleration/energy drift too large   4.79259265862290     
+   23.8624282961871       split increased to            2  itime      443290 
+  itsplit           1
+ acceleration/energy drift too large   9.61283488733788     
+   42.2861471824891       split increased to            2  itime      446254 
+  itsplit           1
+ acceleration/energy drift too large   5.80010767319744     
+   11.6594933889414       split increased to            2  itime      446677 
+  itsplit           1
+ acceleration/energy drift too large   5.54363461747517     
+   11.3470711278185       split increased to            2  itime      447740 
+  itsplit           1
 Velocities reset to random values, time            89999.80
+ acceleration/energy drift too large   2.19411944625419     
+   10.5867598635033       split increased to            2  itime      453246 
+  itsplit           1
+ acceleration/energy drift too large   5.24153589803471     
+   13.1606676254627       split increased to            2  itime      453846 
+  itsplit           1
+ acceleration/energy drift too large   3.53813905744832     
+   19.2476536725415       split increased to            2  itime      454556 
+  itsplit           1
+ acceleration/energy drift too large   3.48911372254137     
+   21.6847586376759       split increased to            2  itime      454927 
+  itsplit           1
+ acceleration/energy drift too large   10.4056972241836     
+   57.9255616918442       split increased to            2  itime      455339 
+  itsplit           1
+ acceleration/energy drift too large   5.90589318946003     
+   15.6300978326363       split increased to            2  itime      456330 
+  itsplit           1
+ acceleration/energy drift too large   4.45985492448762     
+   11.9203321288071       split increased to            2  itime      456530 
+  itsplit           1
+ acceleration/energy drift too large   4.26928155884929     
+   12.0138039899545       split increased to            2  itime      456841 
+  itsplit           1
+ acceleration/energy drift too large   4.68747752629654     
+   16.6195962770648       split increased to            2  itime      458999 
+  itsplit           1
+ acceleration/energy drift too large   5.28483581931999     
+   20.3142444413269       split increased to            2  itime      459546 
+  itsplit           1
+ acceleration/energy drift too large   6.21508537208734     
+   40.3172032563645       split increased to            2  itime      459736 
+  itsplit           1
 Velocities reset to random values, time            91999.80
+ acceleration/energy drift too large   2.04425009165896     
+   15.4407702813567       split increased to            2  itime      460271 
+  itsplit           1
+ acceleration/energy drift too large   8.72646906074623     
+   31.0150046007286       split increased to            2  itime      462796 
+  itsplit           1
+ acceleration/energy drift too large   3.76270007579637     
+   13.7473479513912       split increased to            2  itime      465030 
+  itsplit           1
+ acceleration/energy drift too large   5.81215140118286     
+   16.9247933799676       split increased to            2  itime      465151 
+  itsplit           1
+ acceleration/energy drift too large   2.16165827062120     
+   11.8896945460193       split increased to            2  itime      466342 
+  itsplit           1
+ acceleration/energy drift too large   2.44206101459086     
+   13.9903850053909       split increased to            2  itime      466870 
+  itsplit           1
+ acceleration/energy drift too large   4.02120415915202     
+   21.6859134970394       split increased to            2  itime      467898 
+  itsplit           1
+ acceleration/energy drift too large   3.87168348522190     
+   16.4798814083216       split increased to            2  itime      467943 
+  itsplit           1
+ acceleration/energy drift too large   3.01339281786167     
+   10.6156224334280       split increased to            2  itime      468434 
+  itsplit           1
+ acceleration/energy drift too large   4.94584161337681     
+   12.7515244987281       split increased to            2  itime      468441 
+  itsplit           1
+ acceleration/energy drift too large   9.37809517237604     
+   33.0826214426526       split increased to            2  itime      468589 
+  itsplit           1
+ acceleration/energy drift too large   3.01413489471433     
+   24.9640039243721       split increased to            2  itime      469009 
+  itsplit           1
 Velocities reset to random values, time            93999.80
+ acceleration/energy drift too large   10.3896166341715     
+   53.8415749834004       split increased to            2  itime      471685 
+  itsplit           1
+ acceleration/energy drift too large   4.45448289851289     
+   10.8729787504265       split increased to            2  itime      471820 
+  itsplit           1
+ acceleration/energy drift too large   2.25622477190417     
+   15.5567641243196       split increased to            2  itime      472338 
+  itsplit           1
+ acceleration/energy drift too large   6.92195296793394     
+   23.5797596205209       split increased to            2  itime      472831 
+  itsplit           1
+ acceleration/energy drift too large   5.59436721052518     
+   17.6959900514576       split increased to            2  itime      472991 
+  itsplit           1
+ acceleration/energy drift too large   2.78698486538341     
+   12.7112384526543       split increased to            2  itime      475631 
+  itsplit           1
+ acceleration/energy drift too large   5.57423946814562     
+   14.2960297707255       split increased to            2  itime      475870 
+  itsplit           1
+ acceleration/energy drift too large   4.72454624800943     
+   10.3231887148999       split increased to            2  itime      479609 
+  itsplit           1
+ acceleration/energy drift too large   7.16693288846281     
+   23.4992816951361       split increased to            2  itime      479896 
+  itsplit           1
 Velocities reset to random values, time            95999.80
+ acceleration/energy drift too large   9.58994641667122     
+   40.7844280188477       split increased to            2  itime      480049 
+  itsplit           1
+ acceleration/energy drift too large   2.06188903875319     
+   12.2895571958580       split increased to            2  itime      480050 
+  itsplit           1
+ acceleration/energy drift too large   7.49742729929865     
+   25.9150998948367       split increased to            2  itime      480670 
+  itsplit           1
+ acceleration/energy drift too large   4.39415164043224     
+   14.1851658298882       split increased to            2  itime      480921 
+  itsplit           1
+ acceleration/energy drift too large   3.92127864719573     
+   10.5919582119646       split increased to            2  itime      481710 
+  itsplit           1
+ acceleration/energy drift too large   5.37594934608175     
+   10.4078903723203       split increased to            2  itime      484531 
+  itsplit           1
+ acceleration/energy drift too large   2.69899722065388     
+   12.4817540714063       split increased to            2  itime      485014 
+  itsplit           1
+ acceleration/energy drift too large   3.23076363681653     
+   14.4085071140903       split increased to            2  itime      485430 
+  itsplit           1
+ acceleration/energy drift too large   3.59014128046676     
+   10.4310076618583       split increased to            2  itime      485633 
+  itsplit           1
+ acceleration/energy drift too large   9.52306636646957     
+   45.1706982129731       split increased to            2  itime      485752 
+  itsplit           1
+ acceleration/energy drift too large   4.32984886380681     
+   21.5592146709994       split increased to            2  itime      486544 
+  itsplit           1
 Velocities reset to random values, time            97999.80
+ acceleration/energy drift too large   6.99897096133961     
+   22.3465353698062       split increased to            2  itime      490836 
+  itsplit           1
+ acceleration/energy drift too large   6.08294740363342     
+   23.8878793681183       split increased to            2  itime      494465 
+  itsplit           1
+ acceleration/energy drift too large   5.40740415215286     
+   22.0534182303298       split increased to            2  itime      495178 
+  itsplit           1
+ acceleration/energy drift too large   6.51972053879967     
+   13.4453918384358       split increased to            2  itime      498272 
+  itsplit           1
+ acceleration/energy drift too large   1.93706319042993     
+   10.3690093699879       split increased to            2  itime      498903 
+  itsplit           1
 Velocities reset to random values, time            99999.80
  REMD synchro at      500000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   247.175781250000       0.000000000000000E+000
+ REMD gather times=   206.769531250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
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- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
- i          46  nupa(0,i)           0
  NREP          16
-ACC   1   250.00000     0.60000   20
-ACC   2   260.00000     0.80000   20
-ACC   3   270.00000     0.50000   20
-ACC   4   280.00000     0.45000   20
-ACC   5   290.00000     0.50000   20
-ACC   6   300.00000     0.55000   20
-ACC   7   310.00000     0.40000   20
-ACC   8   320.00000     0.60000   20
-ACC   9   330.00000     0.70000   20
-ACC  10   340.00000     0.70000   20
-ACC  11   350.00000     0.90000   20
-ACC  12   360.00000     0.75000   20
-ACC  13   370.00000     0.90000   20
-ACC  14   380.00000     0.80000   20
-ACC  15   390.00000     0.75000   20
+ACC   1   250.00000     0.30000   10
+ACC   2   260.00000     0.20000   10
+ACC   3   270.00000     0.60000   10
+ACC   4   280.00000     0.80000   10
+ACC   5   290.00000     0.70000   10
+ACC   6   300.00000     0.90000   10
+ACC   7   310.00000     0.60000   10
+ACC   8   320.00000     0.50000   10
+ACC   9   330.00000     0.80000   10
+ACC  10   340.00000     0.70000   10
+ACC  11   350.00000     0.80000   10
+ACC  12   360.00000     0.80000   10
+ACC  13   370.00000     0.60000   10
+ACC  14   380.00000     1.00000   10
+ACC  15   390.00000     0.90000   10
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  1.171875000000000E-002
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   2.73779437149400     
+   13.7042452529319       split increased to            2  itime      502437 
+  itsplit           1
+ acceleration/energy drift too large   8.92676375386783     
+   34.3730580914860       split increased to            2  itime      505769 
+  itsplit           1
+ acceleration/energy drift too large   3.17870217561276     
+   13.2574384589638       split increased to            2  itime      506721 
+  itsplit           1
+ acceleration/energy drift too large   5.45352126749485     
+   11.1034727871275       split increased to            2  itime      507313 
+  itsplit           1
+ acceleration/energy drift too large   4.77983446875819     
+   16.4391412026538       split increased to            2  itime      507612 
+  itsplit           1
+ acceleration/energy drift too large   5.22337562803196     
+   15.4898404810955       split increased to            2  itime      509048 
+  itsplit           1
+ acceleration/energy drift too large   5.73452479788637     
+   13.9017423021263       split increased to            2  itime      509216 
+  itsplit           1
+ acceleration/energy drift too large   3.01895127368496     
+   10.7312036900092       split increased to            2  itime      509794 
+  itsplit           1
 Velocities reset to random values, time           101999.80
+ acceleration/energy drift too large   4.24098171167066     
+   13.8707299083046       split increased to            2  itime      510270 
+  itsplit           1
+ acceleration/energy drift too large   3.58514130334633     
+   13.5889827814111       split increased to            2  itime      510532 
+  itsplit           1
+ acceleration/energy drift too large   4.61878397799056     
+   24.8229884465746       split increased to            2  itime      511343 
+  itsplit           1
+ acceleration/energy drift too large   13.2303902550074     
+   81.6156018691102       split increased to            2  itime      511988 
+  itsplit           1
+ acceleration/energy drift too large   3.94365997870155     
+   13.7675694047874       split increased to            2  itime      512122 
+  itsplit           1
+ acceleration/energy drift too large   10.5156904941394     
+   33.4604926752452       split increased to            2  itime      512664 
+  itsplit           1
+ acceleration/energy drift too large   6.18409968291872     
+   17.1960113597582       split increased to            2  itime      513527 
+  itsplit           1
+ acceleration/energy drift too large   2.68090931151968     
+   11.2637218207440       split increased to            2  itime      515123 
+  itsplit           1
+ acceleration/energy drift too large   4.80604846241625     
+   14.0350195957669       split increased to            2  itime      515611 
+  itsplit           1
+ acceleration/energy drift too large   4.66509978160827     
+   15.8018652207700       split increased to            2  itime      516366 
+  itsplit           1
+ acceleration/energy drift too large   4.59552571661929     
+   14.8933253791265       split increased to            2  itime      517839 
+  itsplit           1
+ acceleration/energy drift too large   8.09975270056622     
+   30.9755867545556       split increased to            2  itime      518672 
+  itsplit           1
+ acceleration/energy drift too large   10.3978015559707     
+   52.4503095829216       split increased to            2  itime      519283 
+  itsplit           1
+ acceleration/energy drift too large   7.09341611400089     
+   16.0403702332936       split increased to            2  itime      519923 
+  itsplit           1
 Velocities reset to random values, time           103999.80
+ acceleration/energy drift too large   2.39647937906399     
+   14.8000252997061       split increased to            2  itime      520034 
+  itsplit           1
+ acceleration/energy drift too large   4.13324535479762     
+   12.4242500132600       split increased to            2  itime      520238 
+  itsplit           1
+ acceleration/energy drift too large   4.29368500932871     
+   17.9139191035096       split increased to            2  itime      521292 
+  itsplit           1
+ acceleration/energy drift too large   3.40288322546732     
+   11.1699337249036       split increased to            2  itime      521941 
+  itsplit           1
+ acceleration/energy drift too large   5.86127208064540     
+   21.5475122168981       split increased to            2  itime      523007 
+  itsplit           1
+ acceleration/energy drift too large   6.48003821181801     
+   12.4616890128783       split increased to            2  itime      523235 
+  itsplit           1
+ acceleration/energy drift too large   4.26770150397311     
+   10.4731894279542       split increased to            2  itime      523372 
+  itsplit           1
+ acceleration/energy drift too large   3.57543545320117     
+   11.0745750833288       split increased to            2  itime      524193 
+  itsplit           1
+ acceleration/energy drift too large   2.15091910476234     
+   11.1362747835414       split increased to            2  itime      524270 
+  itsplit           1
+ acceleration/energy drift too large   2.92315785523942     
+   15.4141166957378       split increased to            2  itime      525376 
+  itsplit           1
+ acceleration/energy drift too large   2.86526795238280     
+   10.9832820574567       split increased to            2  itime      525708 
+  itsplit           1
+ acceleration/energy drift too large   4.27820140216715     
+   22.1539414461780       split increased to            2  itime      525709 
+  itsplit           1
+ acceleration/energy drift too large  0.973987471568014     
+   10.2739248935335       split increased to            2  itime      525741 
+  itsplit           1
+ acceleration/energy drift too large   3.47307217571836     
+   10.1972649570678       split increased to            2  itime      525752 
+  itsplit           1
+ acceleration/energy drift too large   3.02448643736156     
+   13.8157094429412       split increased to            2  itime      525915 
+  itsplit           1
+ acceleration/energy drift too large   2.77223477219073     
+   21.0148696987104       split increased to            2  itime      525916 
+  itsplit           1
+ acceleration/energy drift too large   6.02273308155385     
+   13.0049229654569       split increased to            2  itime      526051 
+  itsplit           1
+ acceleration/energy drift too large   4.33031213551804     
+   11.6584020723687       split increased to            2  itime      526405 
+  itsplit           1
+ acceleration/energy drift too large   2.89987660969666     
+   10.2115294208513       split increased to            2  itime      526791 
+  itsplit           1
+ acceleration/energy drift too large   5.52372885536780     
+   13.5535612140281       split increased to            2  itime      528993 
+  itsplit           1
 Velocities reset to random values, time           105999.80
+ acceleration/energy drift too large   3.70275636200919     
+   13.4710861934146       split increased to            2  itime      530474 
+  itsplit           1
+ acceleration/energy drift too large   2.41571166696613     
+   12.4602175693832       split increased to            2  itime      530858 
+  itsplit           1
+ acceleration/energy drift too large   2.68349680397989     
+   12.1152426457625       split increased to            2  itime      531249 
+  itsplit           1
+ acceleration/energy drift too large   8.77758438657475     
+   37.8439925956811       split increased to            2  itime      533008 
+  itsplit           1
+ acceleration/energy drift too large   6.89339877829263     
+   21.7218260282651       split increased to            2  itime      533631 
+  itsplit           1
+ acceleration/energy drift too large   3.27003317336367     
+   11.2969528184949       split increased to            2  itime      533632 
+  itsplit           1
+ acceleration/energy drift too large   3.21117952990719     
+   15.9270185873155       split increased to            2  itime      534114 
+  itsplit           1
+ acceleration/energy drift too large   4.11978610302706     
+   10.2979167192968       split increased to            2  itime      535361 
+  itsplit           1
+ acceleration/energy drift too large   4.67166826625491     
+   14.8946478841010       split increased to            2  itime      536759 
+  itsplit           1
+ acceleration/energy drift too large   5.58771635661948     
+   13.4983520798147       split increased to            2  itime      538072 
+  itsplit           1
+ acceleration/energy drift too large   5.67939528348656     
+   14.7626563059495       split increased to            2  itime      538922 
+  itsplit           1
+ acceleration/energy drift too large   3.67716290810597     
+   10.4469947285147       split increased to            2  itime      539096 
+  itsplit           1
 Velocities reset to random values, time           107999.80
+ acceleration/energy drift too large   5.98249217089775     
+   16.2681936870645       split increased to            2  itime      540086 
+  itsplit           1
+ acceleration/energy drift too large   4.77919757657508     
+   20.8551686810403       split increased to            2  itime      540115 
+  itsplit           1
+ acceleration/energy drift too large   2.32227318681514     
+   10.7568571871876       split increased to            2  itime      540346 
+  itsplit           1
+ acceleration/energy drift too large   9.07865693339212     
+   43.1400048375336       split increased to            2  itime      540569 
+  itsplit           1
+ acceleration/energy drift too large   4.47200704294252     
+   12.6234219067852       split increased to            2  itime      540607 
+  itsplit           1
+ acceleration/energy drift too large   6.28151566451018     
+   28.0760975183786       split increased to            2  itime      541808 
+  itsplit           1
+ acceleration/energy drift too large   5.24540037412473     
+   17.8347197786324       split increased to            2  itime      541812 
+  itsplit           1
+ acceleration/energy drift too large   2.96884080837995     
+   18.6125200481597       split increased to            2  itime      542954 
+  itsplit           1
+ acceleration/energy drift too large   3.55964969473170     
+   10.6880795424455       split increased to            2  itime      543072 
+  itsplit           1
+ acceleration/energy drift too large   7.22762546435958     
+   19.5068981460213       split increased to            2  itime      544650 
+  itsplit           1
+ acceleration/energy drift too large   4.73231833786203     
+   11.3983392091166       split increased to            2  itime      546478 
+  itsplit           1
+ acceleration/energy drift too large   7.18463896191423     
+   22.9634768465345       split increased to            2  itime      548340 
+  itsplit           1
+ acceleration/energy drift too large   8.32539664982766     
+   31.3709421649855       split increased to            2  itime      548949 
+  itsplit           1
 Velocities reset to random values, time           109999.80
+ acceleration/energy drift too large   2.26466889492993     
+   14.7346518116248       split increased to            2  itime      550130 
+  itsplit           1
+ acceleration/energy drift too large   2.17718572580954     
+   10.7152320023957       split increased to            2  itime      550305 
+  itsplit           1
+ acceleration/energy drift too large   5.66823796957432     
+   24.1623378667029       split increased to            2  itime      552142 
+  itsplit           1
+ acceleration/energy drift too large   4.72338143136115     
+   18.0162489470414       split increased to            2  itime      555455 
+  itsplit           1
+ acceleration/energy drift too large   1.21814115993528     
+   10.6557817486501       split increased to            2  itime      555456 
+  itsplit           1
+ acceleration/energy drift too large   4.71873874217820     
+   12.3045997542898       split increased to            2  itime      556735 
+  itsplit           1
+ acceleration/energy drift too large   2.81864181280901     
+   10.7578415287717       split increased to            2  itime      557254 
+  itsplit           1
+ acceleration/energy drift too large   5.38880875585498     
+   10.9436705870048       split increased to            2  itime      558322 
+  itsplit           1
+ acceleration/energy drift too large   5.25018694787945     
+   16.1244969217503       split increased to            2  itime      558825 
+  itsplit           1
+ acceleration/energy drift too large   3.51199583606620     
+   22.0186433413395       split increased to            2  itime      559533 
+  itsplit           1
 Velocities reset to random values, time           111999.80
+ acceleration/energy drift too large   4.77525032659885     
+   17.3570393117425       split increased to            2  itime      560152 
+  itsplit           1
+ acceleration/energy drift too large   4.52364989727569     
+   25.7705556381578       split increased to            2  itime      560454 
+  itsplit           1
+ acceleration/energy drift too large   3.82043543989368     
+   32.6071138534380       split increased to            2  itime      560856 
+  itsplit           1
+ acceleration/energy drift too large   7.07007806179116     
+   34.6319487991988       split increased to            2  itime      560882 
+  itsplit           1
+ acceleration/energy drift too large   5.07201300847438     
+   11.5321401734334       split increased to            2  itime      560972 
+  itsplit           1
+ acceleration/energy drift too large   9.41746917352430     
+   42.4261388221302       split increased to            2  itime      561044 
+  itsplit           1
+ acceleration/energy drift too large   2.45719993108579     
+   18.2177606644448       split increased to            2  itime      561045 
+  itsplit           1
+ acceleration/energy drift too large   4.11245820046070     
+   15.0806991924647       split increased to            2  itime      562198 
+  itsplit           1
+ acceleration/energy drift too large   4.38648055271156     
+   17.9415976419972       split increased to            2  itime      562861 
+  itsplit           1
+ acceleration/energy drift too large   4.56956996152755     
+   12.8363047721838       split increased to            2  itime      563277 
+  itsplit           1
+ acceleration/energy drift too large   5.68343818585799     
+   13.7260979365542       split increased to            2  itime      563331 
+  itsplit           1
+ acceleration/energy drift too large   4.53254443278119     
+   16.2112364416784       split increased to            2  itime      564928 
+  itsplit           1
+ acceleration/energy drift too large   4.65429783387595     
+   19.7944729571123       split increased to            2  itime      565795 
+  itsplit           1
+ acceleration/energy drift too large   5.39440195026612     
+   28.4885176569247       split increased to            2  itime      566161 
+  itsplit           1
+ acceleration/energy drift too large   10.6183688712963     
+   43.2355563358334       split increased to            2  itime      566444 
+  itsplit           1
+ acceleration/energy drift too large   5.08037841573996     
+   13.3624995456930       split increased to            2  itime      567423 
+  itsplit           1
+ acceleration/energy drift too large   3.45423612561341     
+   23.1607365253115       split increased to            2  itime      567900 
+  itsplit           1
+ acceleration/energy drift too large   3.67477965825423     
+   16.4053479040359       split increased to            2  itime      567961 
+  itsplit           1
+ acceleration/energy drift too large   6.92070055837482     
+   13.1209837779539       split increased to            2  itime      568164 
+  itsplit           1
+ acceleration/energy drift too large   1.99306230078888     
+   11.1972243208649       split increased to            2  itime      568857 
+  itsplit           1
+ acceleration/energy drift too large   2.60812848850784     
+   11.0977367348434       split increased to            2  itime      569587 
+  itsplit           1
 Velocities reset to random values, time           113999.80
+ acceleration/energy drift too large   6.28172894596124     
+   11.2712082102487       split increased to            2  itime      570005 
+  itsplit           1
+ acceleration/energy drift too large   4.13233596187048     
+   19.1027698226643       split increased to            2  itime      572060 
+  itsplit           1
+ acceleration/energy drift too large   5.07142743836596     
+   10.0105242034786       split increased to            2  itime      576537 
+  itsplit           1
+ acceleration/energy drift too large   4.78234998724306     
+   28.3637842214095       split increased to            2  itime      576766 
+  itsplit           1
+ acceleration/energy drift too large   7.85647226617631     
+   33.9096284304355       split increased to            2  itime      577827 
+  itsplit           1
+ acceleration/energy drift too large   12.1547666968091     
+   61.5552743439312       split increased to            2  itime      578165 
+  itsplit           1
+ acceleration/energy drift too large   5.60545467241018     
+   12.8911474229217       split increased to            2  itime      578294 
+  itsplit           1
+ acceleration/energy drift too large   5.28724211735095     
+   15.0235032714999       split increased to            2  itime      579476 
+  itsplit           1
 Velocities reset to random values, time           115999.80
+ acceleration/energy drift too large   4.92922965632018     
+   11.8603665701726       split increased to            2  itime      580181 
+  itsplit           1
+ acceleration/energy drift too large   4.46550576324055     
+   21.4281685054746       split increased to            2  itime      580330 
+  itsplit           1
+ acceleration/energy drift too large   9.76432722024679     
+   41.8692898231217       split increased to            2  itime      583975 
+  itsplit           1
+ acceleration/energy drift too large   6.13619205016591     
+   23.5295855051616       split increased to            2  itime      584053 
+  itsplit           1
+ acceleration/energy drift too large   5.18273644482176     
+   10.5043036926326       split increased to            2  itime      584058 
+  itsplit           1
+ acceleration/energy drift too large   5.93598969960208     
+   27.4274710032168       split increased to            2  itime      584505 
+  itsplit           1
+ acceleration/energy drift too large   5.53944690650803     
+   23.2831330385874       split increased to            2  itime      585031 
+  itsplit           1
+ acceleration/energy drift too large   4.93526147090713     
+   28.6609024456121       split increased to            2  itime      585720 
+  itsplit           1
+ acceleration/energy drift too large   7.49020620161100     
+   11.1566603817866       split increased to            2  itime      586060 
+  itsplit           1
+ acceleration/energy drift too large   8.51949685575566     
+   23.9195135922850       split increased to            2  itime      586207 
+  itsplit           1
+ acceleration/energy drift too large   6.72631274834742     
+   18.0245772265330       split increased to            2  itime      586255 
+  itsplit           1
+ acceleration/energy drift too large   10.9772059466190     
+   52.3850210891664       split increased to            2  itime      586271 
+  itsplit           1
+ acceleration/energy drift too large   3.48170788648421     
+   21.2732599466495       split increased to            2  itime      588402 
+  itsplit           1
+ acceleration/energy drift too large   4.66058414765870     
+   25.6568673378139       split increased to            2  itime      589444 
+  itsplit           1
+ acceleration/energy drift too large   5.89327729894395     
+   12.2381292016813       split increased to            2  itime      589560 
+  itsplit           1
 Velocities reset to random values, time           117999.80
+ acceleration/energy drift too large   3.00030800947840     
+   18.9623731678106       split increased to            2  itime      591034 
+  itsplit           1
+ acceleration/energy drift too large   4.70606209721646     
+   15.4517098276840       split increased to            2  itime      591331 
+  itsplit           1
+ acceleration/energy drift too large   3.27422476910192     
+   12.9785460637501       split increased to            2  itime      591332 
+  itsplit           1
+ acceleration/energy drift too large   5.31096362913954     
+   11.8983323477478       split increased to            2  itime      591978 
+  itsplit           1
+ acceleration/energy drift too large   4.80816018632338     
+   22.8806385435214       split increased to            2  itime      593075 
+  itsplit           1
+ acceleration/energy drift too large   4.94943194016466     
+   28.8570977704755       split increased to            2  itime      598368 
+  itsplit           1
+ acceleration/energy drift too large   4.84183126113497     
+   25.7807680143686       split increased to            2  itime      598458 
+  itsplit           1
+ acceleration/energy drift too large   7.74343932153576     
+   24.0554717752143       split increased to            2  itime      599415 
+  itsplit           1
+ acceleration/energy drift too large   5.97341098091524     
+   48.7993556690080       split increased to            2  itime      599443 
+  itsplit           1
+ acceleration/energy drift too large   1.37476309967977     
+   10.2693332351367       split increased to            4  itime      599443 
+  itsplit           2
 Velocities reset to random values, time           119999.80
  REMD synchro at      600000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   296.582031250000       0.000000000000000E+000
+ REMD gather times=   248.367187500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
-   1   290.00000   -52.79866
-   -39.52138    39.09293   -78.97124   -57.24348     0.00000     0.00000
-     0.06697    17.02344    -4.53078     0.00000   -32.82975    68.64703
-     7.77136    -0.57503     0.00000   -19.10261     9.10406     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   300.00000   -31.45875
-   -43.08670    30.66340   -51.04391   -36.38177     0.00000     0.00000
-     5.62541    13.05913    -0.90541     0.00000   -29.20372   101.79913
-     9.70376    -1.67314     0.00000   -32.99175    11.57379     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   260.00000   -57.52216
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-     0.00000     0.00000     0.00000     0.00000     0.00000
-  62   390.00000     1.35838
-   -27.72099    20.79724   -24.00973   -13.93614     0.00000     0.00000
-     1.26341     6.37655     2.70096     0.00000   -22.09011    75.38916
-     6.56349    -1.13389     0.00000   -29.56435    21.52289     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  63   390.00000    -7.61415
-   -24.69632    12.48520    -7.48162    -4.20774     0.00000     0.00000
-     5.82880     4.76992     4.12886     0.00000   -19.20971    81.08175
-     2.37242    -2.58787     0.00000   -17.11781    13.38029     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  64   360.00000   -14.34195
-   -25.84192    16.34179   -20.28722   -10.08336     0.00000     0.00000
-     9.29772     6.66154     3.46134     0.00000   -23.52543   100.31649
-     1.82563    -1.71445     0.00000   -16.60246    10.21842     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           4  nodes          64
- remd_m(1)           4
- i           7
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- i          25  nupa(0,i)           0
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- i           7
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- i           2  nupa(0,i)           4
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- i           7
- i           7  nupa(0,i)           4
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- i           6  nupa(0,i)           4
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- i          48  nupa(0,i)           4
- i          48  nupa(0,i)           0
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- i          48  nupa(0,i)           0
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- i          48  nupa(0,i)           0
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- i          48  nupa(0,i)           0
- i          48  nupa(0,i)           0
- i          48  nupa(0,i)           0
  NREP          16
-ACC   1   250.00000     0.50000   24
-ACC   2   260.00000     0.75000   24
-ACC   3   270.00000     0.45833   24
-ACC   4   280.00000     0.50000   24
-ACC   5   290.00000     0.50000   24
-ACC   6   300.00000     0.50000   24
-ACC   7   310.00000     0.41667   24
-ACC   8   320.00000     0.58333   24
-ACC   9   330.00000     0.70833   24
-ACC  10   340.00000     0.70833   24
-ACC  11   350.00000     0.87500   24
-ACC  12   360.00000     0.75000   24
-ACC  13   370.00000     0.91667   24
-ACC  14   380.00000     0.79167   24
-ACC  15   390.00000     0.75000   24
+ACC   1   250.00000     0.41667   12
+ACC   2   260.00000     0.16667   12
+ACC   3   270.00000     0.66667   12
+ACC   4   280.00000     0.75000   12
+ACC   5   290.00000     0.66667   12
+ACC   6   300.00000     0.83333   12
+ACC   7   310.00000     0.66667   12
+ACC   8   320.00000     0.50000   12
+ACC   9   330.00000     0.75000   12
+ACC  10   340.00000     0.58333   12
+ACC  11   350.00000     0.83333   12
+ACC  12   360.00000     0.83333   12
+ACC  13   370.00000     0.66667   12
+ACC  14   380.00000     1.00000   12
+ACC  15   390.00000     0.91667   12
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  1.171875000000000E-002
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   6.25754695601952     
+   16.0138492056977       split increased to            2  itime      600975 
+  itsplit           1
+ acceleration/energy drift too large   3.25174991181445     
+   12.0550990148146       split increased to            2  itime      600992 
+  itsplit           1
+ acceleration/energy drift too large   12.3319863554273     
+   71.6417017996117       split increased to            2  itime      601216 
+  itsplit           1
+ acceleration/energy drift too large   6.25151631607253     
+   21.8765548204327       split increased to            2  itime      602298 
+  itsplit           1
+ acceleration/energy drift too large   8.63609835663977     
+   36.3026138271237       split increased to            2  itime      603041 
+  itsplit           1
+ acceleration/energy drift too large   8.60251448226929     
+   34.3979732941485       split increased to            2  itime      603163 
+  itsplit           1
+ acceleration/energy drift too large   4.95134287218677     
+   14.7499243340670       split increased to            2  itime      604436 
+  itsplit           1
+ acceleration/energy drift too large   2.28267096421602     
+   13.7541501907709       split increased to            2  itime      604998 
+  itsplit           1
+ acceleration/energy drift too large   7.83944263263716     
+   28.0577344302289       split increased to            2  itime      605000 
+  itsplit           1
+ acceleration/energy drift too large   6.62004344972939     
+   50.7128989712119       split increased to            2  itime      605202 
+  itsplit           1
+ acceleration/energy drift too large   1.66239150994189     
+   12.2246505708942       split increased to            4  itime      605202 
+  itsplit           2
+ acceleration/energy drift too large   4.46922322511910     
+   26.4172622085791       split increased to            2  itime      605903 
+  itsplit           1
+ acceleration/energy drift too large   3.56815604225865     
+   34.7819824336585       split increased to            2  itime      605907 
+  itsplit           1
+ acceleration/energy drift too large   4.34038675391365     
+   22.9625423136930       split increased to            2  itime      605908 
+  itsplit           1
+ acceleration/energy drift too large   5.12439612206967     
+   12.8560558237277       split increased to            2  itime      605983 
+  itsplit           1
+ acceleration/energy drift too large   10.2070435174598     
+   53.0745108984771       split increased to            2  itime      606191 
+  itsplit           1
+ acceleration/energy drift too large   2.49345997190288     
+   12.9109411539299       split increased to            4  itime      606191 
+  itsplit           2
+ acceleration/energy drift too large   3.57573247638144     
+   13.3291307634903       split increased to            2  itime      606440 
+  itsplit           1
+ acceleration/energy drift too large   4.25532031284735     
+   11.7143305137870       split increased to            2  itime      607540 
+  itsplit           1
+ acceleration/energy drift too large   4.76461993962858     
+   28.5691397689605       split increased to            2  itime      607562 
+  itsplit           1
+ acceleration/energy drift too large   3.85460790591855     
+   16.2444585238539       split increased to            2  itime      607590 
+  itsplit           1
+ acceleration/energy drift too large   3.64765651925315     
+   10.7113929610203       split increased to            2  itime      607755 
+  itsplit           1
+ acceleration/energy drift too large   6.21296939623000     
+   30.0296721727243       split increased to            2  itime      608048 
+  itsplit           1
+ acceleration/energy drift too large   2.48037796460787     
+   11.7610928969634       split increased to            2  itime      608086 
+  itsplit           1
+ acceleration/energy drift too large   2.78709775318731     
+   10.4327571196836       split increased to            2  itime      608221 
+  itsplit           1
+ acceleration/energy drift too large   4.28793301306952     
+   13.2853518882747       split increased to            2  itime      608480 
+  itsplit           1
+ acceleration/energy drift too large   7.34175924172900     
+   23.8992907548958       split increased to            2  itime      609591 
+  itsplit           1
+ acceleration/energy drift too large   2.35604254849620     
+   13.6989367907869       split increased to            2  itime      609804 
+  itsplit           1
 Velocities reset to random values, time           121999.80
+ acceleration/energy drift too large   2.23073242682005     
+   13.2884722954553       split increased to            2  itime      610143 
+  itsplit           1
+ acceleration/energy drift too large   4.60247782431103     
+   15.1902279665381       split increased to            2  itime      611002 
+  itsplit           1
+ acceleration/energy drift too large   1.89120048049976     
+   12.6818570236140       split increased to            2  itime      611003 
+  itsplit           1
+ acceleration/energy drift too large   3.73325672849185     
+   22.3064888639184       split increased to            2  itime      611807 
+  itsplit           1
+ acceleration/energy drift too large   8.35585347043471     
+   34.7076259246126       split increased to            2  itime      612000 
+  itsplit           1
+ acceleration/energy drift too large   1.38971879403589     
+   11.7651402071369       split increased to            2  itime      612001 
+  itsplit           1
+ acceleration/energy drift too large   2.78978626180830     
+   19.3385754660593       split increased to            2  itime      612857 
+  itsplit           1
+ acceleration/energy drift too large   10.5728475675563     
+   54.8655375689583       split increased to            2  itime      613125 
+  itsplit           1
+ acceleration/energy drift too large   5.78335799316959     
+   15.2599184361043       split increased to            2  itime      613661 
+  itsplit           1
+ acceleration/energy drift too large   6.81465661008858     
+   17.2129199407860       split increased to            2  itime      614402 
+  itsplit           1
+ acceleration/energy drift too large   6.45535852359543     
+   12.4561185889454       split increased to            2  itime      614448 
+  itsplit           1
+ acceleration/energy drift too large   4.29347696641623     
+   12.6176394806597       split increased to            2  itime      614525 
+  itsplit           1
+ acceleration/energy drift too large   5.85673512317867     
+   12.3331535839340       split increased to            2  itime      615027 
+  itsplit           1
+ acceleration/energy drift too large   9.37493821680777     
+   18.2143744448797       split increased to            2  itime      615028 
+  itsplit           1
+ acceleration/energy drift too large   10.3102338783809     
+   53.7544533773782       split increased to            2  itime      615037 
+  itsplit           1
+ acceleration/energy drift too large   9.16679508179453     
+   39.2153933201181       split increased to            2  itime      615795 
+  itsplit           1
+ acceleration/energy drift too large   3.78382215052233     
+   31.9648666740243       split increased to            2  itime      616217 
+  itsplit           1
+ acceleration/energy drift too large   15.4752934626938     
+   69.3784821315056       split increased to            2  itime      617539 
+  itsplit           1
+ acceleration/energy drift too large   3.16679187772658     
+   10.8469354081524       split increased to            2  itime      617795 
+  itsplit           1
+ acceleration/energy drift too large   4.26131033939983     
+   19.5691117336311       split increased to            2  itime      617938 
+  itsplit           1
+ acceleration/energy drift too large   6.27560260663197     
+   10.5131592949516       split increased to            2  itime      618323 
+  itsplit           1
+ acceleration/energy drift too large   5.74578890944388     
+   22.3583387751031       split increased to            2  itime      618521 
+  itsplit           1
+ acceleration/energy drift too large   7.00726666413875     
+   24.1058400897520       split increased to            2  itime      618596 
+  itsplit           1
+ acceleration/energy drift too large   17.7138168462027     
+   101.247922258645       split increased to            2  itime      618668 
+  itsplit           1
+ acceleration/energy drift too large   4.55320871021421     
+   26.9304761145780       split increased to            4  itime      618668 
+  itsplit           2
+ acceleration/energy drift too large   3.61468688004105     
+   12.2901039955406       split increased to            2  itime      619019 
+  itsplit           1
+ acceleration/energy drift too large   11.8535324647124     
+   67.9230414874380       split increased to            2  itime      619052 
+  itsplit           1
+ acceleration/energy drift too large   2.82890558233372     
+   16.0632128021099       split increased to            4  itime      619052 
+  itsplit           2
+ acceleration/energy drift too large   5.24726174362651     
+   19.3357497549723       split increased to            2  itime      619445 
+  itsplit           1
+ acceleration/energy drift too large   7.40759773403780     
+   16.1497113697539       split increased to            2  itime      619940 
+  itsplit           1
 Velocities reset to random values, time           123999.80
+ acceleration/energy drift too large   4.61281068663170     
+   13.3610025264939       split increased to            2  itime      620002 
+  itsplit           1
+ acceleration/energy drift too large   7.34373576827458     
+   14.8394865742088       split increased to            2  itime      620586 
+  itsplit           1
+ acceleration/energy drift too large   2.71735752984788     
+   25.0945308135358       split increased to            2  itime      621783 
+  itsplit           1
+ acceleration/energy drift too large   2.58777998840925     
+   11.4619099291705       split increased to            2  itime      622120 
+  itsplit           1
+ acceleration/energy drift too large   6.55602809534122     
+   34.2219751637132       split increased to            2  itime      622167 
+  itsplit           1
+ acceleration/energy drift too large   5.04860873994601     
+   16.8609309840067       split increased to            2  itime      623443 
+  itsplit           1
+ acceleration/energy drift too large   10.0064370227291     
+   45.2458059724488       split increased to            2  itime      623680 
+  itsplit           1
+ acceleration/energy drift too large   2.15901251155502     
+   10.6571525717496       split increased to            2  itime      623791 
+  itsplit           1
+ acceleration/energy drift too large   4.27762630948463     
+   14.5709551524407       split increased to            2  itime      623793 
+  itsplit           1
+ acceleration/energy drift too large   4.58889291725837     
+   14.2957309506940       split increased to            2  itime      623970 
+  itsplit           1
+ acceleration/energy drift too large   5.26103380848589     
+   10.6162014271031       split increased to            2  itime      624188 
+  itsplit           1
+ acceleration/energy drift too large   2.92413424083488     
+   14.6043235682637       split increased to            2  itime      625715 
+  itsplit           1
+ acceleration/energy drift too large   5.05806167116464     
+   18.2217928754235       split increased to            2  itime      625990 
+  itsplit           1
+ acceleration/energy drift too large   4.98250238317497     
+   11.7229564869578       split increased to            2  itime      626303 
+  itsplit           1
+ acceleration/energy drift too large   4.74658966537367     
+   10.9677800534330       split increased to            2  itime      627881 
+  itsplit           1
+ acceleration/energy drift too large   8.68585246123989     
+   22.4625026217366       split increased to            2  itime      628038 
+  itsplit           1
+ acceleration/energy drift too large   6.13159924740396     
+   15.5249058036236       split increased to            2  itime      628482 
+  itsplit           1
+ acceleration/energy drift too large   15.5992483537993     
+   77.7324895343476       split increased to            2  itime      628669 
+  itsplit           1
+ acceleration/energy drift too large   8.26938046478706     
+   31.0927882180708       split increased to            2  itime      628767 
+  itsplit           1
+ acceleration/energy drift too large   4.50418472045375     
+   23.4801428375969       split increased to            2  itime      629607 
+  itsplit           1
+ acceleration/energy drift too large   3.41999600473549     
+   13.7792186998930       split increased to            2  itime      629715 
+  itsplit           1
 Velocities reset to random values, time           125999.80
+ acceleration/energy drift too large   5.03449400802504     
+   28.7422167096999       split increased to            2  itime      631056 
+  itsplit           1
+ acceleration/energy drift too large   5.57155139157944     
+   21.9129303963323       split increased to            2  itime      631893 
+  itsplit           1
+ acceleration/energy drift too large   4.39099602346958     
+   12.2343994016366       split increased to            2  itime      632023 
+  itsplit           1
+ acceleration/energy drift too large   12.4693925353863     
+   63.6582093229182       split increased to            2  itime      632121 
+  itsplit           1
+ acceleration/energy drift too large   4.67203082448706     
+   14.2071918329760       split increased to            2  itime      632191 
+  itsplit           1
+ acceleration/energy drift too large   4.59910855946983     
+   21.0772021116032       split increased to            2  itime      632375 
+  itsplit           1
+ acceleration/energy drift too large   3.22145382098193     
+   17.7117307941751       split increased to            2  itime      632509 
+  itsplit           1
+ acceleration/energy drift too large   3.08755073441423     
+   12.7826819184458       split increased to            2  itime      633356 
+  itsplit           1
+ acceleration/energy drift too large   6.66042233571607     
+   26.2620896744813       split increased to            2  itime      633626 
+  itsplit           1
+ acceleration/energy drift too large   3.97185444107807     
+   23.6478393886705       split increased to            2  itime      633903 
+  itsplit           1
+ acceleration/energy drift too large   5.77241667580570     
+   17.1748855819711       split increased to            2  itime      633949 
+  itsplit           1
+ acceleration/energy drift too large   4.64482397370444     
+   19.8304872303560       split increased to            2  itime      634704 
+  itsplit           1
+ acceleration/energy drift too large   3.68931892751294     
+   12.0639327743879       split increased to            2  itime      634809 
+  itsplit           1
+ acceleration/energy drift too large   14.6035450979379     
+   77.5595625943338       split increased to            2  itime      634956 
+  itsplit           1
+ acceleration/energy drift too large   2.76654006098027     
+   12.2562888872987       split increased to            4  itime      634956 
+  itsplit           2
+ acceleration/energy drift too large   10.4973631985309     
+   50.4338624550633       split increased to            2  itime      635596 
+  itsplit           1
+ acceleration/energy drift too large   2.65927462498442     
+   13.2725300250988       split increased to            4  itime      635596 
+  itsplit           2
+ acceleration/energy drift too large   16.9345762685632     
+   80.3946911566731       split increased to            2  itime      636196 
+  itsplit           1
+ acceleration/energy drift too large   3.52277443468522     
+   14.5400653761354       split increased to            4  itime      636196 
+  itsplit           2
+ acceleration/energy drift too large   9.47748468759106     
+   40.4111345876325       split increased to            2  itime      636822 
+  itsplit           1
+ acceleration/energy drift too large   2.39681730586056     
+   10.2977279545475       split increased to            4  itime      636822 
+  itsplit           2
+ acceleration/energy drift too large   6.03028562793473     
+   31.2746718014368       split increased to            2  itime      636975 
+  itsplit           1
+ acceleration/energy drift too large   3.40481718430390     
+   22.8278404282965       split increased to            2  itime      638790 
+  itsplit           1
+ acceleration/energy drift too large   6.73002467562677     
+   11.9141295367997       split increased to            2  itime      638987 
+  itsplit           1
 Velocities reset to random values, time           127999.80
+ acceleration/energy drift too large   3.98175252438783     
+   10.2917524815949       split increased to            2  itime      640019 
+  itsplit           1
+ acceleration/energy drift too large   6.79757148910487     
+   13.8348662532623       split increased to            2  itime      640231 
+  itsplit           1
+ acceleration/energy drift too large   8.00915343075990     
+   22.0738465078218       split increased to            2  itime      640277 
+  itsplit           1
+ acceleration/energy drift too large   3.91266132812530     
+   11.9369064925071       split increased to            2  itime      640296 
+  itsplit           1
+ acceleration/energy drift too large   3.22851326933295     
+   10.3607228423339       split increased to            2  itime      640300 
+  itsplit           1
+ acceleration/energy drift too large   5.73429033103735     
+   12.4491087336185       split increased to            2  itime      640471 
+  itsplit           1
+ acceleration/energy drift too large   6.11086242511048     
+   24.9213039169619       split increased to            2  itime      640631 
+  itsplit           1
+ acceleration/energy drift too large   7.22598447497305     
+   16.5604493187080       split increased to            2  itime      640681 
+  itsplit           1
+ acceleration/energy drift too large   14.1894928413524     
+   62.7618145737475       split increased to            2  itime      640962 
+  itsplit           1
+ acceleration/energy drift too large   3.62329406771329     
+   16.0700551189854       split increased to            4  itime      640962 
+  itsplit           2
+ acceleration/energy drift too large   3.42122869387669     
+   11.2231233514544       split increased to            2  itime      641041 
+  itsplit           1
+ acceleration/energy drift too large   3.00276085415953     
+   21.1159239383801       split increased to            2  itime      641353 
+  itsplit           1
+ acceleration/energy drift too large   2.99971789979545     
+   13.2195348311053       split increased to            2  itime      641357 
+  itsplit           1
+ acceleration/energy drift too large   6.24077546962863     
+   25.1056089413894       split increased to            2  itime      642481 
+  itsplit           1
+ acceleration/energy drift too large   3.67728639548230     
+   16.7744147609823       split increased to            2  itime      642633 
+  itsplit           1
+ acceleration/energy drift too large   4.37370556165024     
+   10.4741172758471       split increased to            2  itime      642644 
+  itsplit           1
+ acceleration/energy drift too large   1.55725923554902     
+   13.6925817338256       split increased to            2  itime      643488 
+  itsplit           1
+ acceleration/energy drift too large   2.86169899824971     
+   12.2327401660200       split increased to            2  itime      643586 
+  itsplit           1
+ acceleration/energy drift too large   11.3785494097924     
+   60.0756999535705       split increased to            2  itime      645678 
+  itsplit           1
+ acceleration/energy drift too large   2.49108326243160     
+   12.1734851098433       split increased to            4  itime      645678 
+  itsplit           2
+ acceleration/energy drift too large   4.74749423461805     
+   12.8307181304668       split increased to            2  itime      647087 
+  itsplit           1
+ acceleration/energy drift too large   5.58180536363731     
+   16.6679035142346       split increased to            2  itime      647593 
+  itsplit           1
+ acceleration/energy drift too large   17.1724466865508     
+   113.567449114696       split increased to            2  itime      649068 
+  itsplit           1
+ acceleration/energy drift too large   2.91463226374264     
+   18.8877731971016       split increased to            4  itime      649068 
+  itsplit           1
+ acceleration/energy drift too large   9.73044598716956     
+   53.6852826646586       split increased to            2  itime      649667 
+  itsplit           1
+ acceleration/energy drift too large   5.99619247055488     
+   23.7624336633405       split increased to            2  itime      649999 
+  itsplit           1
 Velocities reset to random values, time           129999.80
+ acceleration/energy drift too large   4.62535878963817     
+   27.4696798603177       split increased to            2  itime      650344 
+  itsplit           1
+ acceleration/energy drift too large   3.73293135178210     
+   27.5178361182993       split increased to            2  itime      650978 
+  itsplit           1
+ acceleration/energy drift too large   5.34322696411000     
+   32.4767098829050       split increased to            2  itime      652742 
+  itsplit           1
+ acceleration/energy drift too large   3.12061448278396     
+   20.1713319381800       split increased to            2  itime      656414 
+  itsplit           1
+ acceleration/energy drift too large   10.4783122146943     
+   48.9719079925684       split increased to            2  itime      657555 
+  itsplit           1
+ acceleration/energy drift too large   2.41371230094004     
+   14.5809220120447       split increased to            2  itime      659872 
+  itsplit           1
 Velocities reset to random values, time           131999.80
+ acceleration/energy drift too large   4.78850153589871     
+   13.0931366521131       split increased to            2  itime      660723 
+  itsplit           1
+ acceleration/energy drift too large   9.66072181704057     
+   44.7055256230949       split increased to            2  itime      660909 
+  itsplit           1
+ acceleration/energy drift too large   6.28298310165240     
+   25.8316018068304       split increased to            2  itime      662105 
+  itsplit           1
+ acceleration/energy drift too large   4.61032849705654     
+   22.0150139035228       split increased to            2  itime      663230 
+  itsplit           1
+ acceleration/energy drift too large   6.00982697522521     
+   16.7808143561205       split increased to            2  itime      665126 
+  itsplit           1
+ acceleration/energy drift too large   4.29761659187874     
+   13.8389430916353       split increased to            2  itime      665427 
+  itsplit           1
+ acceleration/energy drift too large   4.49294367021075     
+   10.0015674199440       split increased to            2  itime      665478 
+  itsplit           1
+ acceleration/energy drift too large   3.82219634840162     
+   10.4916655336026       split increased to            2  itime      668130 
+  itsplit           1
+ acceleration/energy drift too large   5.96094732042994     
+   17.7703967803927       split increased to            2  itime      668261 
+  itsplit           1
+ acceleration/energy drift too large   4.89829468611348     
+   12.0538031415534       split increased to            2  itime      668336 
+  itsplit           1
+ acceleration/energy drift too large   12.1335050769766     
+   64.3482700132136       split increased to            2  itime      668445 
+  itsplit           1
+ acceleration/energy drift too large   4.02320339839840     
+   14.8937021816675       split increased to            2  itime      669040 
+  itsplit           1
+ acceleration/energy drift too large   4.37223349949132     
+   17.1658710500645       split increased to            2  itime      669860 
+  itsplit           1
 Velocities reset to random values, time           133999.80
+ acceleration/energy drift too large   4.39898780391572     
+   19.4765180536983       split increased to            2  itime      670481 
+  itsplit           1
+ acceleration/energy drift too large   4.04788139707366     
+   10.6701854910575       split increased to            2  itime      674226 
+  itsplit           1
+ acceleration/energy drift too large   4.24798732802235     
+   25.6638290593318       split increased to            2  itime      674771 
+  itsplit           1
+ acceleration/energy drift too large   4.32785464484765     
+   13.3743245923795       split increased to            2  itime      675004 
+  itsplit           1
+ acceleration/energy drift too large   6.01749921922012     
+   31.1557172474781       split increased to            2  itime      675048 
+  itsplit           1
+ acceleration/energy drift too large   5.07111953847073     
+   21.4290652104006       split increased to            2  itime      675391 
+  itsplit           1
+ acceleration/energy drift too large   5.12391341884474     
+   10.2864342656937       split increased to            2  itime      675607 
+  itsplit           1
+ acceleration/energy drift too large   5.50944853554163     
+   31.2879529447634       split increased to            2  itime      676330 
+  itsplit           1
+ acceleration/energy drift too large   6.48040329681869     
+   32.8386781768475       split increased to            2  itime      676420 
+  itsplit           1
+ acceleration/energy drift too large   3.10262433842975     
+   10.6509109753339       split increased to            2  itime      676898 
+  itsplit           1
+ acceleration/energy drift too large   10.8623951163489     
+   69.5898491294610       split increased to            2  itime      678300 
+  itsplit           1
+ acceleration/energy drift too large   2.52441412857642     
+   12.9910731840389       split increased to            4  itime      678300 
+  itsplit           1
+ acceleration/energy drift too large   6.52804814000305     
+   41.9147165499755       split increased to            2  itime      679552 
+  itsplit           1
+ acceleration/energy drift too large   5.40281236555388     
+   19.2514326680344       split increased to            2  itime      679567 
+  itsplit           1
+ acceleration/energy drift too large   7.44131593506286     
+   41.6093859695981       split increased to            2  itime      679651 
+  itsplit           1
+ acceleration/energy drift too large   5.90304691180671     
+   32.8391081927771       split increased to            2  itime      679674 
+  itsplit           1
+ acceleration/energy drift too large   6.71109743673371     
+   31.1593000749481       split increased to            2  itime      679676 
+  itsplit           1
+ acceleration/energy drift too large   2.73450640564816     
+   12.8698419784926       split increased to            4  itime      679676 
+  itsplit           1
+ acceleration/energy drift too large   8.32782148441198     
+   19.4817813475231       split increased to            2  itime      679885 
+  itsplit           1
 Velocities reset to random values, time           135999.80
+ acceleration/energy drift too large   3.83668976079277     
+   19.2109693149152       split increased to            2  itime      680329 
+  itsplit           1
+ acceleration/energy drift too large   5.88609447897641     
+   12.0648264981557       split increased to            2  itime      681431 
+  itsplit           1
+ acceleration/energy drift too large   5.86053054257781     
+   33.8877650497518       split increased to            2  itime      681719 
+  itsplit           1
+ acceleration/energy drift too large   6.52500619191552     
+   20.7599067078987       split increased to            2  itime      682815 
+  itsplit           1
+ acceleration/energy drift too large   3.04880828463340     
+   13.7398773015852       split increased to            2  itime      683020 
+  itsplit           1
+ acceleration/energy drift too large   6.69369321616485     
+   13.9990975724032       split increased to            2  itime      683283 
+  itsplit           1
+ acceleration/energy drift too large   5.23618767133098     
+   12.9703143621347       split increased to            2  itime      683312 
+  itsplit           1
+ acceleration/energy drift too large   3.47848308236124     
+   10.8920710917359       split increased to            2  itime      683420 
+  itsplit           1
+ acceleration/energy drift too large   5.77425574531984     
+   15.9321698489354       split increased to            2  itime      685001 
+  itsplit           1
+ acceleration/energy drift too large   4.78576434663960     
+   18.9848114224845       split increased to            2  itime      685486 
+  itsplit           1
+ acceleration/energy drift too large   8.95051829270475     
+   26.0985813353001       split increased to            2  itime      686410 
+  itsplit           1
+ acceleration/energy drift too large   5.27035803402023     
+   13.8537643596133       split increased to            2  itime      686850 
+  itsplit           1
+ acceleration/energy drift too large   1.88185288139653     
+   10.4752137226399       split increased to            2  itime      686982 
+  itsplit           1
+ acceleration/energy drift too large   11.9606352779224     
+   57.7497909705213       split increased to            2  itime      687931 
+  itsplit           1
+ acceleration/energy drift too large   2.83487525808160     
+   18.4142484922531       split increased to            4  itime      687931 
+  itsplit           1
+ acceleration/energy drift too large   1.92726508569327     
+   14.2430931373822       split increased to            2  itime      688754 
+  itsplit           1
 Velocities reset to random values, time           137999.80
+ acceleration/energy drift too large   2.56681668890711     
+   21.4948796680863       split increased to            2  itime      690006 
+  itsplit           1
+ acceleration/energy drift too large   5.99179532566691     
+   26.7553438186719       split increased to            2  itime      690211 
+  itsplit           1
+ acceleration/energy drift too large   3.77067773605480     
+   30.2275892304465       split increased to            2  itime      691436 
+  itsplit           1
+ acceleration/energy drift too large   4.27292919771583     
+   10.4478680604994       split increased to            2  itime      692106 
+  itsplit           1
+ acceleration/energy drift too large   5.03333260400241     
+   10.0274498767210       split increased to            2  itime      692207 
+  itsplit           1
+ acceleration/energy drift too large   3.20278003715589     
+   11.5202100793791       split increased to            2  itime      692465 
+  itsplit           1
+ acceleration/energy drift too large   5.40751042129251     
+   17.7742270714383       split increased to            2  itime      692791 
+  itsplit           1
+ acceleration/energy drift too large   4.94308070782740     
+   29.5717274262642       split increased to            2  itime      692896 
+  itsplit           1
+ acceleration/energy drift too large   3.87741995325826     
+   13.6294726409417       split increased to            2  itime      693298 
+  itsplit           1
+ acceleration/energy drift too large   7.98258418567227     
+   29.1179350889020       split increased to            2  itime      693612 
+  itsplit           1
+ acceleration/energy drift too large   2.36914242216512     
+   19.5036457789073       split increased to            2  itime      693685 
+  itsplit           1
+ acceleration/energy drift too large   5.69669794276481     
+   40.6102684986143       split increased to            2  itime      694057 
+  itsplit           1
+ acceleration/energy drift too large   5.29315047918184     
+   19.3889190534506       split increased to            2  itime      694116 
+  itsplit           1
+ acceleration/energy drift too large   3.52756650183848     
+   16.7841416036274       split increased to            2  itime      694125 
+  itsplit           1
+ acceleration/energy drift too large   3.67691171695912     
+   21.5675516107547       split increased to            2  itime      695307 
+  itsplit           1
+ acceleration/energy drift too large   10.8443086473719     
+   56.1597685559824       split increased to            2  itime      695756 
+  itsplit           1
+ acceleration/energy drift too large   6.94299291214412     
+   14.0161820417590       split increased to            2  itime      695932 
+  itsplit           1
+ acceleration/energy drift too large   5.19062647677710     
+   12.6170613958460       split increased to            2  itime      696519 
+  itsplit           1
+ acceleration/energy drift too large   6.09415057912963     
+   16.5106176715828       split increased to            2  itime      696932 
+  itsplit           1
+ acceleration/energy drift too large   3.05986622896694     
+   11.3104934820040       split increased to            2  itime      697046 
+  itsplit           1
+ acceleration/energy drift too large   8.54028904963511     
+   46.4148481767631       split increased to            2  itime      697320 
+  itsplit           1
+ acceleration/energy drift too large   5.69987716389526     
+   31.7005497307753       split increased to            2  itime      699002 
+  itsplit           1
+ acceleration/energy drift too large   6.46115438065238     
+   13.6621065528287       split increased to            2  itime      699205 
+  itsplit           1
 Velocities reset to random values, time           139999.80
  REMD synchro at      700000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   346.011718750000       0.000000000000000E+000
+ REMD gather times=   289.394531250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
-   1   290.00000   -52.23554
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-     0.00000     0.00000     0.00000     0.00000     0.00000
-  60   390.00000    -8.15861
-   -22.28884    11.25028    -6.87314    -3.37222     0.00000     0.00000
-     5.07298     5.29593     3.83335     0.00000   -20.32116    82.40153
-     2.28313    -1.13307     0.00000   -15.97977    10.17791     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  61   350.00000   -14.36967
-   -29.34394    17.69982   -17.05730   -11.15960     0.00000     0.00000
-     7.28123     4.99191     5.63511     0.00000   -24.45934    77.44559
-     2.34140    -1.08329     0.00000   -25.37638    16.52505     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  62   370.00000    -1.57048
-   -23.05083    12.45464   -11.02949    -6.01589     0.00000     0.00000
-    10.02071     4.57478     4.80789     0.00000   -22.89841    89.57781
-     4.43532    -2.13963     0.00000   -18.20061    17.91921     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  63   390.00000    -3.56612
-   -26.59576    21.47162   -31.82421   -19.43945     0.00000     0.00000
-    -2.03797     7.77740     0.30629     0.00000   -25.74822    73.49532
-     7.07364     1.45900     0.00000   -25.83934    19.96280     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  64   340.00000   -22.14205
-   -34.91347    19.78610   -21.57930   -13.64871     0.00000     0.00000
-     3.26136     5.70818     2.14050     0.00000   -26.00334    86.16113
-     1.92520    -0.73447     0.00000   -26.54651    18.65889     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           4  nodes          64
- remd_m(1)           4
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- i          18  nupa(0,i)           0
- i          18  nupa(0,i)           0
  NREP          16
-ACC   1   250.00000     0.46429   28
-ACC   2   260.00000     0.67857   28
-ACC   3   270.00000     0.39286   28
-ACC   4   280.00000     0.57143   28
-ACC   5   290.00000     0.50000   28
-ACC   6   300.00000     0.53571   28
-ACC   7   310.00000     0.50000   28
-ACC   8   320.00000     0.57143   28
-ACC   9   330.00000     0.71429   28
-ACC  10   340.00000     0.67857   28
-ACC  11   350.00000     0.82143   28
-ACC  12   360.00000     0.75000   28
-ACC  13   370.00000     0.89286   28
-ACC  14   380.00000     0.78571   28
-ACC  15   390.00000     0.78571   28
+ACC   1   250.00000     0.42857   14
+ACC   2   260.00000     0.28571   14
+ACC   3   270.00000     0.64286   14
+ACC   4   280.00000     0.64286   14
+ACC   5   290.00000     0.71429   14
+ACC   6   300.00000     0.78571   14
+ACC   7   310.00000     0.71429   14
+ACC   8   320.00000     0.57143   14
+ACC   9   330.00000     0.71429   14
+ACC  10   340.00000     0.64286   14
+ACC  11   350.00000     0.78571   14
+ACC  12   360.00000     0.85714   14
+ACC  13   370.00000     0.71429   14
+ACC  14   380.00000     1.00000   14
+ACC  15   390.00000     0.92857   14
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  1.171875000000000E-002
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   8.11720449887750     
+   35.9480100658249       split increased to            2  itime      700837 
+  itsplit           1
+ acceleration/energy drift too large   5.20286849453995     
+   12.8545924301821       split increased to            2  itime      700972 
+  itsplit           1
+ acceleration/energy drift too large   3.65116170912629     
+   14.3466085630485       split increased to            2  itime      701242 
+  itsplit           1
+ acceleration/energy drift too large   2.91870628148037     
+   11.4368301937584       split increased to            2  itime      701344 
+  itsplit           1
+ acceleration/energy drift too large   3.80146513655856     
+   23.4488948333596       split increased to            2  itime      702310 
+  itsplit           1
+ acceleration/energy drift too large   6.13751273749208     
+   14.3244520265397       split increased to            2  itime      702326 
+  itsplit           1
+ acceleration/energy drift too large   3.03443628466139     
+   18.3422873181726       split increased to            2  itime      703114 
+  itsplit           1
+ acceleration/energy drift too large   3.44391616236463     
+   18.5905922480110       split increased to            2  itime      703490 
+  itsplit           1
+ acceleration/energy drift too large   4.85689491137434     
+   10.4491899217320       split increased to            2  itime      703885 
+  itsplit           1
+ acceleration/energy drift too large   2.57350219389582     
+   10.3015361013323       split increased to            2  itime      704065 
+  itsplit           1
+ acceleration/energy drift too large   8.97585198007661     
+   41.1269172966464       split increased to            2  itime      704832 
+  itsplit           1
+ acceleration/energy drift too large   6.72849882921725     
+   16.4846300918076       split increased to            2  itime      707001 
+  itsplit           1
+ acceleration/energy drift too large   16.4469352140303     
+   97.2940181309860       split increased to            2  itime      707127 
+  itsplit           1
+ acceleration/energy drift too large   6.61555808148272     
+   23.2879786306406       split increased to            2  itime      708229 
+  itsplit           1
+ acceleration/energy drift too large   9.10617472573240     
+   42.4662918953065       split increased to            2  itime      708329 
+  itsplit           1
+ acceleration/energy drift too large   4.02172850170034     
+   13.7115458243418       split increased to            2  itime      708521 
+  itsplit           1
+ acceleration/energy drift too large   5.11370333388024     
+   13.8433798174794       split increased to            2  itime      708774 
+  itsplit           1
+ acceleration/energy drift too large   7.04000769985109     
+   13.7544815544171       split increased to            2  itime      709858 
+  itsplit           1
 Velocities reset to random values, time           141999.80
+ acceleration/energy drift too large   5.41956251847003     
+   11.8718423596905       split increased to            2  itime      710179 
+  itsplit           1
+ acceleration/energy drift too large   4.81696801389753     
+   26.3718841761635       split increased to            2  itime      710750 
+  itsplit           1
+ acceleration/energy drift too large   5.38576592170803     
+   28.6667942437354       split increased to            2  itime      710936 
+  itsplit           1
+ acceleration/energy drift too large   6.61411892544192     
+   30.0768132868370       split increased to            2  itime      711316 
+  itsplit           1
+ acceleration/energy drift too large   5.58278496491360     
+   31.9213860315535       split increased to            2  itime      713478 
+  itsplit           1
+ acceleration/energy drift too large   2.31104493200979     
+   13.7926843226157       split increased to            2  itime      715117 
+  itsplit           1
+ acceleration/energy drift too large   12.4344436210483     
+   69.9848558146578       split increased to            2  itime      715463 
+  itsplit           1
+ acceleration/energy drift too large   5.90543797327927     
+   10.5072962885552       split increased to            2  itime      715686 
+  itsplit           1
+ acceleration/energy drift too large   6.42985738275233     
+   27.5992434588681       split increased to            2  itime      715718 
+  itsplit           1
+ acceleration/energy drift too large   4.65908160790281     
+   28.1598205863369       split increased to            2  itime      716098 
+  itsplit           1
+ acceleration/energy drift too large   2.23121348824216     
+   13.1518524731892       split increased to            2  itime      716145 
+  itsplit           1
+ acceleration/energy drift too large   5.56272107748309     
+   13.8763371375724       split increased to            2  itime      716363 
+  itsplit           1
+ acceleration/energy drift too large   2.98462205643197     
+   17.8720134155159       split increased to            2  itime      716884 
+  itsplit           1
+ acceleration/energy drift too large   3.33009756929900     
+   10.2609663529504       split increased to            2  itime      717177 
+  itsplit           1
+ acceleration/energy drift too large   5.57847995984232     
+   11.5085069218216       split increased to            2  itime      717572 
+  itsplit           1
+ acceleration/energy drift too large   4.67674970316485     
+   12.8904797847084       split increased to            2  itime      717756 
+  itsplit           1
+ acceleration/energy drift too large   3.29465335465414     
+   14.1381280155952       split increased to            2  itime      719911 
+  itsplit           1
 Velocities reset to random values, time           143999.80
+ acceleration/energy drift too large   4.17876882041245     
+   12.6188064936655       split increased to            2  itime      720634 
+  itsplit           1
+ acceleration/energy drift too large   11.4380824747569     
+   68.3078496706706       split increased to            2  itime      721232 
+  itsplit           1
+ acceleration/energy drift too large   5.11039078682322     
+   11.8668300255710       split increased to            2  itime      723487 
+  itsplit           1
+ acceleration/energy drift too large   4.20128522536592     
+   13.2073982530203       split increased to            2  itime      724395 
+  itsplit           1
+ acceleration/energy drift too large   7.32910906097292     
+   15.3965348106003       split increased to            2  itime      724995 
+  itsplit           1
+ acceleration/energy drift too large   5.59800121191789     
+   16.3143181601815       split increased to            2  itime      726181 
+  itsplit           1
+ acceleration/energy drift too large   5.35721270345146     
+   16.8490833272991       split increased to            2  itime      727235 
+  itsplit           1
+ acceleration/energy drift too large   7.38290872145886     
+   16.2037233603391       split increased to            2  itime      727292 
+  itsplit           1
+ acceleration/energy drift too large   4.14860702237382     
+   26.5630068950048       split increased to            4  itime      727292 
+  itsplit           2
 Velocities reset to random values, time           145999.80
+ acceleration/energy drift too large   2.93984517309579     
+   16.6782394655914       split increased to            2  itime      730311 
+  itsplit           1
+ acceleration/energy drift too large   2.87219861895303     
+   19.2097047407069       split increased to            2  itime      731608 
+  itsplit           1
+ acceleration/energy drift too large   4.58372514549138     
+   11.5546377752536       split increased to            2  itime      732658 
+  itsplit           1
+ acceleration/energy drift too large   6.12112685378053     
+   18.0574184678024       split increased to            2  itime      732661 
+  itsplit           1
+ acceleration/energy drift too large   4.63558059761805     
+   16.0132457848208       split increased to            2  itime      733127 
+  itsplit           1
+ acceleration/energy drift too large   4.95334629856386     
+   11.7491351593690       split increased to            2  itime      733757 
+  itsplit           1
+ acceleration/energy drift too large   7.13269906841022     
+   27.3481393944862       split increased to            2  itime      733784 
+  itsplit           1
+ acceleration/energy drift too large   5.34162759775089     
+   10.3869080051152       split increased to            2  itime      733867 
+  itsplit           1
+ acceleration/energy drift too large   8.02238040168975     
+   12.2542596578837       split increased to            2  itime      735302 
+  itsplit           1
+ acceleration/energy drift too large   9.12264549381156     
+   19.6528535756718       split increased to            2  itime      735337 
+  itsplit           1
+ acceleration/energy drift too large   5.02297643618615     
+   25.3981467102304       split increased to            2  itime      736573 
+  itsplit           1
+ acceleration/energy drift too large   2.88742437039917     
+   10.7222733878431       split increased to            2  itime      736574 
+  itsplit           1
+ acceleration/energy drift too large   4.97219204837219     
+   12.3981382578386       split increased to            2  itime      737065 
+  itsplit           1
+ acceleration/energy drift too large   3.72757055319022     
+   10.1054772523544       split increased to            2  itime      737335 
+  itsplit           1
+ acceleration/energy drift too large   2.81868967659850     
+   11.2431565642037       split increased to            2  itime      737675 
+  itsplit           1
+ acceleration/energy drift too large   6.50604436404839     
+   16.6885463296399       split increased to            2  itime      738314 
+  itsplit           1
+ acceleration/energy drift too large   8.70774623624325     
+   18.2012777646865       split increased to            2  itime      738546 
+  itsplit           1
+ acceleration/energy drift too large   2.47782988433004     
+   10.0135387853222       split increased to            2  itime      738712 
+  itsplit           1
+ acceleration/energy drift too large   9.65720027644816     
+   24.6737706627431       split increased to            2  itime      739966 
+  itsplit           1
 Velocities reset to random values, time           147999.80
+ acceleration/energy drift too large   5.83490275310682     
+   17.2734500308748       split increased to            2  itime      740293 
+  itsplit           1
+ acceleration/energy drift too large   2.41967888178194     
+   16.5005673295931       split increased to            2  itime      740294 
+  itsplit           1
+ acceleration/energy drift too large   5.92684639184068     
+   15.7753993440322       split increased to            2  itime      740501 
+  itsplit           1
+ acceleration/energy drift too large   12.2378054799971     
+   59.1222401237592       split increased to            2  itime      740859 
+  itsplit           1
+ acceleration/energy drift too large   4.71147203452646     
+   15.9378132209512       split increased to            2  itime      742086 
+  itsplit           1
+ acceleration/energy drift too large   10.1241154141147     
+   49.5651476664475       split increased to            2  itime      742230 
+  itsplit           1
+ acceleration/energy drift too large   8.55238928648374     
+   38.8082947300162       split increased to            2  itime      742508 
+  itsplit           1
+ acceleration/energy drift too large   4.63291759153817     
+   11.1657627033866       split increased to            2  itime      743021 
+  itsplit           1
+ acceleration/energy drift too large   6.13868702936043     
+   15.0285456202743       split increased to            2  itime      744307 
+  itsplit           1
+ acceleration/energy drift too large   12.3268103576927     
+   71.5848824410426       split increased to            2  itime      745411 
+  itsplit           1
+ acceleration/energy drift too large   6.43333392431065     
+   25.1487072571966       split increased to            2  itime      745503 
+  itsplit           1
+ acceleration/energy drift too large   4.42890359526283     
+   28.2654360317681       split increased to            2  itime      745910 
+  itsplit           1
+ acceleration/energy drift too large   7.42291403604513     
+   24.8953925887195       split increased to            2  itime      746575 
+  itsplit           1
+ acceleration/energy drift too large   6.35426872326548     
+   27.2522682659169       split increased to            2  itime      746750 
+  itsplit           1
+ acceleration/energy drift too large   9.94254704370798     
+   47.4011936929260       split increased to            2  itime      747315 
+  itsplit           1
+ acceleration/energy drift too large   1.86492680196737     
+   16.1965681695899       split increased to            2  itime      747316 
+  itsplit           1
 Velocities reset to random values, time           149999.80
+ acceleration/energy drift too large   9.18073560331282     
+   40.8131448443545       split increased to            2  itime      750272 
+  itsplit           1
+ acceleration/energy drift too large   8.02506036965276     
+   27.3447807980334       split increased to            2  itime      750382 
+  itsplit           1
+ acceleration/energy drift too large   5.60951223725942     
+   35.9614690629819       split increased to            2  itime      750508 
+  itsplit           1
+ acceleration/energy drift too large   4.95595725865051     
+   17.4492818381553       split increased to            2  itime      751304 
+  itsplit           1
+ acceleration/energy drift too large   3.73181631291966     
+   10.4755639424838       split increased to            2  itime      752293 
+  itsplit           1
+ acceleration/energy drift too large   6.90583579822753     
+   24.6091661110682       split increased to            2  itime      752848 
+  itsplit           1
+ acceleration/energy drift too large   5.24105425922398     
+   11.9415380346706       split increased to            2  itime      753876 
+  itsplit           1
+ acceleration/energy drift too large   8.52361774962486     
+   32.4861818878236       split increased to            2  itime      754187 
+  itsplit           1
+ acceleration/energy drift too large   2.73130154577056     
+   18.1237370995500       split increased to            2  itime      755400 
+  itsplit           1
+ acceleration/energy drift too large   6.70424968925215     
+   16.4283046687343       split increased to            2  itime      755767 
+  itsplit           1
+ acceleration/energy drift too large   3.33215995949377     
+   16.4680278816705       split increased to            2  itime      756496 
+  itsplit           1
+ acceleration/energy drift too large   5.33228968024792     
+   17.3087721044395       split increased to            2  itime      757093 
+  itsplit           1
+ acceleration/energy drift too large   6.14438587743912     
+   38.1088809303817       split increased to            2  itime      757895 
+  itsplit           1
+ acceleration/energy drift too large   4.50686292909664     
+   20.9265187146252       split increased to            2  itime      757896 
+  itsplit           1
+ acceleration/energy drift too large   4.75898405283910     
+   24.3325506372013       split increased to            2  itime      757945 
+  itsplit           1
+ acceleration/energy drift too large   4.13289930847467     
+   15.3431473940614       split increased to            2  itime      759483 
+  itsplit           1
+ acceleration/energy drift too large   4.61127655077977     
+   17.4779517495459       split increased to            2  itime      759498 
+  itsplit           1
+ acceleration/energy drift too large   8.71369381594099     
+   49.7366412149935       split increased to            2  itime      759632 
+  itsplit           1
 Velocities reset to random values, time           151999.80
+ acceleration/energy drift too large   6.43580397827309     
+   16.4233096795613       split increased to            2  itime      760152 
+  itsplit           1
+ acceleration/energy drift too large   11.3122136603536     
+   56.1496273279264       split increased to            2  itime      760332 
+  itsplit           1
+ acceleration/energy drift too large   10.5746997896608     
+   54.3289665205038       split increased to            2  itime      761220 
+  itsplit           1
+ acceleration/energy drift too large   2.41838248175020     
+   10.4293443716903       split increased to            4  itime      761220 
+  itsplit           1
+ acceleration/energy drift too large   4.98992831216492     
+   27.6345901284655       split increased to            2  itime      761240 
+  itsplit           1
+ acceleration/energy drift too large   6.41191990956657     
+   12.9059647831487       split increased to            2  itime      761412 
+  itsplit           1
+ acceleration/energy drift too large   5.39856174090225     
+   13.6998856578941       split increased to            2  itime      761745 
+  itsplit           1
+ acceleration/energy drift too large   10.9372724975527     
+   52.1245815935940       split increased to            2  itime      762041 
+  itsplit           1
+ acceleration/energy drift too large  0.871225091661636     
+   17.5098023455650       split increased to            2  itime      762042 
+  itsplit           1
+ acceleration/energy drift too large   2.66028331637075     
+   17.1256845723536       split increased to            2  itime      762933 
+  itsplit           1
+ acceleration/energy drift too large   1.99596918528786     
+   10.1375597393198       split increased to            2  itime      764429 
+  itsplit           1
+ acceleration/energy drift too large   4.76122578243500     
+   33.2316986484702       split increased to            2  itime      765387 
+  itsplit           1
+ acceleration/energy drift too large   2.20348187658971     
+   13.1574881122650       split increased to            2  itime      765565 
+  itsplit           1
+ acceleration/energy drift too large   6.73122130913325     
+   20.3494918023678       split increased to            2  itime      765762 
+  itsplit           1
+ acceleration/energy drift too large   4.05257069096200     
+   13.7211572297740       split increased to            2  itime      766130 
+  itsplit           1
+ acceleration/energy drift too large   5.29862556826967     
+   18.6732141953551       split increased to            2  itime      766149 
+  itsplit           1
+ acceleration/energy drift too large   7.34969421196595     
+   28.4653834893784       split increased to            2  itime      766196 
+  itsplit           1
+ acceleration/energy drift too large   4.10560066737414     
+   13.9493792661245       split increased to            2  itime      766322 
+  itsplit           1
+ acceleration/energy drift too large   6.88546908694253     
+   26.3549059304166       split increased to            2  itime      766694 
+  itsplit           1
+ acceleration/energy drift too large   4.98283677444414     
+   26.9657731682248       split increased to            2  itime      766871 
+  itsplit           1
+ acceleration/energy drift too large   5.26777550871686     
+   20.4828325361774       split increased to            2  itime      768135 
+  itsplit           1
+ acceleration/energy drift too large   4.11280396191990     
+   11.1876323328568       split increased to            2  itime      768926 
+  itsplit           1
+ acceleration/energy drift too large   8.82345757363100     
+   36.5298472303389       split increased to            2  itime      769591 
+  itsplit           1
 Velocities reset to random values, time           153999.80
+ acceleration/energy drift too large   11.1910424687684     
+   40.7188092355586       split increased to            2  itime      770235 
+  itsplit           1
+ acceleration/energy drift too large   10.5854544304928     
+   25.9528329783793       split increased to            2  itime      770726 
+  itsplit           1
+ acceleration/energy drift too large   4.69032627165788     
+   11.5541667518256       split increased to            2  itime      770731 
+  itsplit           1
+ acceleration/energy drift too large   4.80943699344173     
+   23.1316211490282       split increased to            2  itime      771598 
+  itsplit           1
+ acceleration/energy drift too large   2.17229198486053     
+   13.6663633568850       split increased to            2  itime      772197 
+  itsplit           1
+ acceleration/energy drift too large   7.76051794799924     
+   29.0857784015039       split increased to            2  itime      774249 
+  itsplit           1
+ acceleration/energy drift too large   3.20373989756117     
+   18.6902964243555       split increased to            4  itime      774249 
+  itsplit           1
+ acceleration/energy drift too large   3.79313504265284     
+   11.8255465091502       split increased to            2  itime      774655 
+  itsplit           1
+ acceleration/energy drift too large   7.91957039254655     
+   22.6103948475217       split increased to            2  itime      774855 
+  itsplit           1
+ acceleration/energy drift too large   9.35138659701622     
+   40.1408374545245       split increased to            2  itime      774986 
+  itsplit           1
+ acceleration/energy drift too large   4.10039017596775     
+   12.0957930486731       split increased to            2  itime      775749 
+  itsplit           1
+ acceleration/energy drift too large   4.40218727179321     
+   15.4243037897106       split increased to            2  itime      776727 
+  itsplit           1
+ acceleration/energy drift too large   6.20964998360838     
+   13.9519295998203       split increased to            2  itime      776745 
+  itsplit           1
+ acceleration/energy drift too large   8.14494633948772     
+   31.1615276441521       split increased to            2  itime      776813 
+  itsplit           1
+ acceleration/energy drift too large   6.80920668896092     
+   18.1177734149848       split increased to            2  itime      777058 
+  itsplit           1
+ acceleration/energy drift too large   3.42789236439444     
+   10.5155884635245       split increased to            2  itime      779369 
+  itsplit           1
+ acceleration/energy drift too large   5.32212115567097     
+   13.4852111934292       split increased to            2  itime      779490 
+  itsplit           1
 Velocities reset to random values, time           155999.80
+ acceleration/energy drift too large   7.89059523579495     
+   29.7824564856205       split increased to            2  itime      780514 
+  itsplit           1
+ acceleration/energy drift too large   2.71836043120833     
+   16.4688426410573       split increased to            2  itime      781975 
+  itsplit           1
+ acceleration/energy drift too large   5.42582174827306     
+   16.8035911065003       split increased to            2  itime      782225 
+  itsplit           1
+ acceleration/energy drift too large   8.79604114949452     
+   29.9117030853523       split increased to            2  itime      784403 
+  itsplit           1
+ acceleration/energy drift too large   4.34478328475579     
+   13.0516309207492       split increased to            2  itime      785038 
+  itsplit           1
+ acceleration/energy drift too large   12.0267992958826     
+   64.9158377959301       split increased to            2  itime      785502 
+  itsplit           1
+ acceleration/energy drift too large   2.86927783949805     
+   15.0302174377880       split increased to            4  itime      785502 
+  itsplit           2
+ acceleration/energy drift too large   6.74416749588866     
+   24.7782896947259       split increased to            2  itime      785868 
+  itsplit           1
+ acceleration/energy drift too large   3.99836343483443     
+   24.2067372343023       split increased to            2  itime      785966 
+  itsplit           1
+ acceleration/energy drift too large   8.82858130530756     
+   25.5700047616842       split increased to            2  itime      786111 
+  itsplit           1
+ acceleration/energy drift too large   5.26427715361465     
+   12.6662623681970       split increased to            2  itime      786136 
+  itsplit           1
+ acceleration/energy drift too large   9.96173353016672     
+   43.6827276596895       split increased to            2  itime      786329 
+  itsplit           1
+ acceleration/energy drift too large   4.52902428315935     
+   25.9415672960537       split increased to            2  itime      786588 
+  itsplit           1
+ acceleration/energy drift too large   4.92084190225243     
+   17.8031580601729       split increased to            2  itime      786765 
+  itsplit           1
+ acceleration/energy drift too large   1.35539646830949     
+   10.3713693132301       split increased to            2  itime      786881 
+  itsplit           1
+ acceleration/energy drift too large   2.27825760356459     
+   13.3588520840026       split increased to            2  itime      787466 
+  itsplit           1
+ acceleration/energy drift too large   5.19137047009736     
+   11.9724768790205       split increased to            2  itime      788231 
+  itsplit           1
+ acceleration/energy drift too large   4.15474330978859     
+   11.3954412117450       split increased to            2  itime      789090 
+  itsplit           1
 Velocities reset to random values, time           157999.80
+ acceleration/energy drift too large   2.07413870656877     
+   10.0887247025908       split increased to            2  itime      790839 
+  itsplit           1
+ acceleration/energy drift too large   7.03703398252484     
+   20.9053438238816       split increased to            2  itime      791459 
+  itsplit           1
+ acceleration/energy drift too large   3.34588286521393     
+   15.5168908264045       split increased to            2  itime      792734 
+  itsplit           1
+ acceleration/energy drift too large   5.12104252925255     
+   28.0971337976728       split increased to            2  itime      792914 
+  itsplit           1
+ acceleration/energy drift too large   3.86619542414277     
+   12.7648498051125       split increased to            2  itime      793586 
+  itsplit           1
+ acceleration/energy drift too large   4.55321589755684     
+   11.3463573333294       split increased to            2  itime      793865 
+  itsplit           1
+ acceleration/energy drift too large   5.71154648315159     
+   16.3890263704544       split increased to            2  itime      794091 
+  itsplit           1
+ acceleration/energy drift too large   4.10128754379293     
+   11.1876083265659       split increased to            2  itime      794172 
+  itsplit           1
+ acceleration/energy drift too large   5.10858270950534     
+   10.3132624488177       split increased to            2  itime      794243 
+  itsplit           1
+ acceleration/energy drift too large   4.09453632971990     
+   12.0594182273070       split increased to            2  itime      794372 
+  itsplit           1
+ acceleration/energy drift too large   10.4882739446551     
+   55.2994676774204       split increased to            2  itime      794866 
+  itsplit           1
+ acceleration/energy drift too large   3.14512498490513     
+   18.4241954271156       split increased to            2  itime      796099 
+  itsplit           1
+ acceleration/energy drift too large   7.67277000254915     
+   22.4377690971799       split increased to            2  itime      796173 
+  itsplit           1
+ acceleration/energy drift too large   5.90764020005741     
+   14.3886987817941       split increased to            2  itime      796453 
+  itsplit           1
+ acceleration/energy drift too large   2.36630146620928     
+   13.2441099504989       split increased to            2  itime      796454 
+  itsplit           1
+ acceleration/energy drift too large   5.75106229184658     
+   14.6408888372617       split increased to            2  itime      796582 
+  itsplit           1
+ acceleration/energy drift too large   4.89563322388087     
+   16.2882302874806       split increased to            2  itime      796962 
+  itsplit           1
+ acceleration/energy drift too large   4.39014934673668     
+   18.8559177610733       split increased to            2  itime      797056 
+  itsplit           1
+ acceleration/energy drift too large   6.45080488641976     
+   15.9675085022738       split increased to            2  itime      797057 
+  itsplit           1
+ acceleration/energy drift too large   8.70225101762707     
+   29.8320767651172       split increased to            2  itime      797127 
+  itsplit           1
+ acceleration/energy drift too large   4.77883556629849     
+   12.6676495324686       split increased to            2  itime      797259 
+  itsplit           1
+ acceleration/energy drift too large   3.97847034476097     
+   17.9089733006466       split increased to            2  itime      797870 
+  itsplit           1
+ acceleration/energy drift too large   13.9046206736496     
+   82.0800534834106       split increased to            2  itime      799043 
+  itsplit           1
 Velocities reset to random values, time           159999.80
  REMD synchro at      800000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   395.421875000000       0.000000000000000E+000
+ REMD gather times=   330.421875000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
- REMD exchange temp,ene
-   1   280.00000   -52.07185
-   -38.74603    44.83444   -86.71445   -62.69384     0.00000     0.00000
-    -3.72306    18.14203    -3.12132     0.00000   -34.61544    63.96633
-     7.80678    -1.15351     0.00000   -25.34342    11.59055     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   300.00000   -36.02367
-   -39.45949    35.89268   -66.06099   -45.29908     0.00000     0.00000
-    -2.16102    14.51784    -3.16333     0.00000   -34.98219    76.71886
-     8.91012     1.67639     0.00000   -32.98934    15.59361     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   270.00000   -53.37043
-   -43.20854    60.04290  -126.09239   -92.31632     0.00000     0.00000
-    -9.11768    20.60391    -4.78776     0.00000   -26.25862    82.29349
-     9.06346     0.12430     0.00000    25.07075    13.62864     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   290.00000   -40.40447
-   -39.26084    38.13277   -74.89146   -54.61782     0.00000     0.00000
-    -0.74343    15.11219    -7.73965     0.00000   -26.63002    69.56940
-     7.17598     1.67357     0.00000   -19.80090    14.65107     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   270.00000   -52.40637
-   -45.31999    39.19066   -70.31202   -51.96956     0.00000     0.00000
-    -0.62048    14.73685    -2.34733     0.00000   -30.06017    66.47259
-     6.81155    -0.17613     0.00000   -28.37044    13.25039     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   340.00000   -29.10531
-   -34.44132    26.69506   -40.98127   -25.53868     0.00000     0.00000
-    -0.44084     8.26033    -0.96767     0.00000   -27.53286    48.64026
-     6.23011     1.16596     0.00000   -34.75503    13.49099     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   250.00000   -70.11165
-   -36.10503    93.50371  -177.99643  -153.71922     0.00000     0.00000
-     5.88205    17.91008     0.17471     0.00000   -30.58142    56.51815
-    13.41570    -0.43629     0.00000    86.68031     7.89841     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   8   320.00000   -25.28725
-   -33.77038    28.80121   -49.50032   -30.25620     0.00000     0.00000
-     0.22503    10.87632    -3.86692     0.00000   -31.26995    69.34679
-    11.04956     0.53655     0.00000   -30.36589    11.12518     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   9   260.00000   -64.14794
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- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          43  nupa(0,i)           0
- i          21
- i          21  nupa(0,i)           4
- i          21  nupa(0,i)           4
- i          14  nupa(0,i)           4
- i          14  nupa(0,i)           4
- i          14  nupa(0,i)           4
- i          45  nupa(0,i)           4
- i          45  nupa(0,i)           4
- i          45  nupa(0,i)           4
- i          58  nupa(0,i)           4
- i          58  nupa(0,i)           4
- i          58  nupa(0,i)           4
- i          58  nupa(0,i)           4
- i          58  nupa(0,i)           4
- i          58  nupa(0,i)           4
- i          58  nupa(0,i)           4
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i          59  nupa(0,i)           0
- i           7
- i           7  nupa(0,i)           4
- i          10  nupa(0,i)           4
- i          10  nupa(0,i)           4
- i          26  nupa(0,i)           4
- i          26  nupa(0,i)           4
- i          26  nupa(0,i)           4
- i          26  nupa(0,i)           4
- i          26  nupa(0,i)           4
- i          64  nupa(0,i)           4
- i          64  nupa(0,i)           4
- i          57  nupa(0,i)           4
- i          57  nupa(0,i)           4
- i          57  nupa(0,i)           4
- i          57  nupa(0,i)           4
- i          57  nupa(0,i)           4
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          57  nupa(0,i)           0
- i          12
- i          12  nupa(0,i)           4
- i          21  nupa(0,i)           4
- i          10  nupa(0,i)           4
- i          10  nupa(0,i)           4
- i          10  nupa(0,i)           4
- i          39  nupa(0,i)           4
- i          39  nupa(0,i)           4
- i          39  nupa(0,i)           4
- i          39  nupa(0,i)           4
- i          55  nupa(0,i)           4
- i          47  nupa(0,i)           4
- i          47  nupa(0,i)           4
- i          47  nupa(0,i)           4
- i          47  nupa(0,i)           4
- i          47  nupa(0,i)           4
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
- i          47  nupa(0,i)           0
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.46875   32
-ACC   2   260.00000     0.62500   32
-ACC   3   270.00000     0.43750   32
-ACC   4   280.00000     0.62500   32
-ACC   5   290.00000     0.46875   32
-ACC   6   300.00000     0.59375   32
-ACC   7   310.00000     0.56250   32
-ACC   8   320.00000     0.53125   32
-ACC   9   330.00000     0.71875   32
-ACC  10   340.00000     0.62500   32
-ACC  11   350.00000     0.84375   32
-ACC  12   360.00000     0.78125   32
-ACC  13   370.00000     0.87500   32
-ACC  14   380.00000     0.81250   32
-ACC  15   390.00000     0.78125   32
+ACC   1   250.00000     0.37500   16
+ACC   2   260.00000     0.31250   16
+ACC   3   270.00000     0.62500   16
+ACC   4   280.00000     0.68750   16
+ACC   5   290.00000     0.75000   16
+ACC   6   300.00000     0.75000   16
+ACC   7   310.00000     0.75000   16
+ACC   8   320.00000     0.56250   16
+ACC   9   330.00000     0.75000   16
+ACC  10   340.00000     0.56250   16
+ACC  11   350.00000     0.75000   16
+ACC  12   360.00000     0.87500   16
+ACC  13   370.00000     0.75000   16
+ACC  14   380.00000     1.00000   16
+ACC  15   390.00000     0.87500   16
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   10.1858531917160     
+   49.9919055433977       split increased to            2  itime      800546 
+  itsplit           1
+ acceleration/energy drift too large   6.61474356672286     
+   18.3511876009471       split increased to            2  itime      802527 
+  itsplit           1
+ acceleration/energy drift too large   5.21083478084351     
+   10.3681522438434       split increased to            2  itime      804118 
+  itsplit           1
+ acceleration/energy drift too large   4.36692923036785     
+   25.4941574775791       split increased to            2  itime      805344 
+  itsplit           1
+ acceleration/energy drift too large   4.79987247340460     
+   11.6800415168608       split increased to            2  itime      805409 
+  itsplit           1
+ acceleration/energy drift too large   3.30152052270426     
+   14.7276305437980       split increased to            2  itime      805757 
+  itsplit           1
+ acceleration/energy drift too large   4.00801745839127     
+   28.3955531769657       split increased to            2  itime      807191 
+  itsplit           1
+ acceleration/energy drift too large   5.21173836606324     
+   12.2168054952948       split increased to            2  itime      808236 
+  itsplit           1
+ acceleration/energy drift too large   2.76797011334551     
+   11.2865727348839       split increased to            2  itime      808237 
+  itsplit           1
+ acceleration/energy drift too large   11.0079970507706     
+   52.8200178425537       split increased to            2  itime      808820 
+  itsplit           1
 Velocities reset to random values, time           161999.80
+ acceleration/energy drift too large   3.35046415160692     
+   10.4383116816673       split increased to            2  itime      811809 
+  itsplit           1
+ acceleration/energy drift too large   4.55862164829432     
+   12.5028868093941       split increased to            2  itime      812396 
+  itsplit           1
+ acceleration/energy drift too large   6.27634706559778     
+   35.6139263812836       split increased to            2  itime      812922 
+  itsplit           1
+ acceleration/energy drift too large   3.83550076493065     
+   11.6014717005044       split increased to            2  itime      812946 
+  itsplit           1
+ acceleration/energy drift too large   4.61436679818368     
+   23.1127673739172       split increased to            2  itime      813170 
+  itsplit           1
+ acceleration/energy drift too large   6.39564402444074     
+   40.2069995174404       split increased to            2  itime      814544 
+  itsplit           1
+ acceleration/energy drift too large   4.10887449328207     
+   10.8941575395608       split increased to            2  itime      815618 
+  itsplit           1
+ acceleration/energy drift too large   11.7745541114932     
+   72.0105161904506       split increased to            2  itime      815631 
+  itsplit           1
+ acceleration/energy drift too large   2.28214975501604     
+   11.8708049838113       split increased to            4  itime      815631 
+  itsplit           2
+ acceleration/energy drift too large   4.75834098985964     
+   28.5794833996746       split increased to            2  itime      815802 
+  itsplit           1
+ acceleration/energy drift too large   6.44938426589426     
+   26.3602793948603       split increased to            2  itime      816021 
+  itsplit           1
+ acceleration/energy drift too large   3.72090282647722     
+   11.1383410967662       split increased to            2  itime      816082 
+  itsplit           1
+ acceleration/energy drift too large   4.80507441603727     
+   12.2874470750706       split increased to            2  itime      816890 
+  itsplit           1
+ acceleration/energy drift too large   5.59374898201894     
+   14.1866285962887       split increased to            2  itime      817194 
+  itsplit           1
+ acceleration/energy drift too large   4.29296785944024     
+   10.3657773872582       split increased to            2  itime      817224 
+  itsplit           1
+ acceleration/energy drift too large   3.84651600551193     
+   12.7341021194992       split increased to            2  itime      818387 
+  itsplit           1
+ acceleration/energy drift too large   2.22360495738591     
+   14.0847637383396       split increased to            2  itime      818601 
+  itsplit           1
+ acceleration/energy drift too large   5.16983473584117     
+   11.2129225123064       split increased to            2  itime      818714 
+  itsplit           1
 Velocities reset to random values, time           163999.80
+ acceleration/energy drift too large   8.97951013222568     
+   14.8450933627680       split increased to            2  itime      821347 
+  itsplit           1
+ acceleration/energy drift too large   10.7281184582967     
+   44.0727871101872       split increased to            2  itime      821714 
+  itsplit           1
+ acceleration/energy drift too large   4.51341949115924     
+   16.7004237366531       split increased to            2  itime      821890 
+  itsplit           1
+ acceleration/energy drift too large   5.52141665366594     
+   23.8090023103709       split increased to            2  itime      822026 
+  itsplit           1
+ acceleration/energy drift too large   4.42315563535048     
+   20.4081954978863       split increased to            2  itime      822360 
+  itsplit           1
+ acceleration/energy drift too large   4.43118357066480     
+   17.6242038569295       split increased to            2  itime      822949 
+  itsplit           1
+ acceleration/energy drift too large   4.45232538918048     
+   22.7001080092999       split increased to            2  itime      823754 
+  itsplit           1
+ acceleration/energy drift too large   4.31179799890165     
+   21.8605874214936       split increased to            2  itime      823963 
+  itsplit           1
+ acceleration/energy drift too large   6.27097032162734     
+   17.3929106261447       split increased to            2  itime      825274 
+  itsplit           1
+ acceleration/energy drift too large   16.1231050188181     
+   88.9445794602708       split increased to            2  itime      825453 
+  itsplit           1
+ acceleration/energy drift too large   5.06534911294876     
+   30.7306392610330       split increased to            2  itime      826381 
+  itsplit           1
+ acceleration/energy drift too large   6.66773689953335     
+   21.1417291266588       split increased to            2  itime      828759 
+  itsplit           1
+ acceleration/energy drift too large   4.69846345548895     
+   14.2850723594923       split increased to            2  itime      828897 
+  itsplit           1
 Velocities reset to random values, time           165999.80
+ acceleration/energy drift too large   9.10020872936095     
+   36.8845664715708       split increased to            2  itime      833523 
+  itsplit           1
+ acceleration/energy drift too large   2.10529538187782     
+   10.3597285968010       split increased to            2  itime      834469 
+  itsplit           1
+ acceleration/energy drift too large   5.10179818315932     
+   21.0053173142724       split increased to            2  itime      835664 
+  itsplit           1
+ acceleration/energy drift too large   4.10983826305805     
+   24.6806120989868       split increased to            2  itime      835827 
+  itsplit           1
+ acceleration/energy drift too large   5.15978255256110     
+   18.4695534302812       split increased to            2  itime      835967 
+  itsplit           1
+ acceleration/energy drift too large   5.80631599840364     
+   25.3401051176140       split increased to            2  itime      836133 
+  itsplit           1
+ acceleration/energy drift too large   3.76238538502701     
+   10.6939381889576       split increased to            2  itime      836140 
+  itsplit           1
+ acceleration/energy drift too large   4.71958085722966     
+   15.9122227252988       split increased to            2  itime      839727 
+  itsplit           1
 Velocities reset to random values, time           167999.80
+ acceleration/energy drift too large   4.26927082160644     
+   15.5471866777299       split increased to            2  itime      840317 
+  itsplit           1
+ acceleration/energy drift too large   4.71791412322011     
+   14.1516194197991       split increased to            2  itime      841422 
+  itsplit           1
+ acceleration/energy drift too large   7.80259106109826     
+   38.9559636911525       split increased to            2  itime      843256 
+  itsplit           1
+ acceleration/energy drift too large   6.24246610723308     
+   23.1909798726841       split increased to            2  itime      846051 
+  itsplit           1
+ acceleration/energy drift too large   5.42152683843393     
+   36.4638939198863       split increased to            2  itime      846945 
+  itsplit           1
+ acceleration/energy drift too large   2.72470774264122     
+   10.1781621424218       split increased to            2  itime      848328 
+  itsplit           1
+ acceleration/energy drift too large   2.98628975273830     
+   11.5252323082825       split increased to            2  itime      848535 
+  itsplit           1
+ acceleration/energy drift too large   7.59765432138732     
+   36.0831963586074       split increased to            2  itime      849072 
+  itsplit           1
+ acceleration/energy drift too large   7.11045682808745     
+   16.0713168218446       split increased to            2  itime      849123 
+  itsplit           1
+ acceleration/energy drift too large   1.76251954056545     
+   10.6930352230154       split increased to            2  itime      849364 
+  itsplit           1
+ acceleration/energy drift too large   9.39581665933674     
+   47.1173070435289       split increased to            2  itime      849466 
+  itsplit           1
+ acceleration/energy drift too large   2.48090034179985     
+   11.0370189796659       split increased to            4  itime      849466 
+  itsplit           1
+ acceleration/energy drift too large   4.85368603575384     
+   26.1364330278783       split increased to            2  itime      849606 
+  itsplit           1
+ acceleration/energy drift too large   5.54226555254511     
+   31.3092905996061       split increased to            2  itime      849695 
+  itsplit           1
+ acceleration/energy drift too large   3.70270590445924     
+   10.3665933714424       split increased to            2  itime      849926 
+  itsplit           1
 Velocities reset to random values, time           169999.80
+ acceleration/energy drift too large   3.68185342994993     
+   11.3821760217665       split increased to            2  itime      851041 
+  itsplit           1
+ acceleration/energy drift too large   1.30272849302438     
+   11.5255973493773       split increased to            2  itime      851510 
+  itsplit           1
+ acceleration/energy drift too large   3.87880302633644     
+   12.3183228758084       split increased to            2  itime      851778 
+  itsplit           1
+ acceleration/energy drift too large   5.33004720940022     
+   15.5440018808535       split increased to            2  itime      851819 
+  itsplit           1
+ acceleration/energy drift too large   3.41304475117642     
+   11.2777203505534       split increased to            2  itime      854377 
+  itsplit           1
+ acceleration/energy drift too large   2.27500270613526     
+   15.9377053001000       split increased to            2  itime      855018 
+  itsplit           1
+ acceleration/energy drift too large   10.2867316676197     
+   36.7553411283993       split increased to            2  itime      855060 
+  itsplit           1
+ acceleration/energy drift too large   6.24895785298984     
+   15.6085990016604       split increased to            2  itime      855349 
+  itsplit           1
+ acceleration/energy drift too large   5.90725842630384     
+   39.0462466429432       split increased to            2  itime      855571 
+  itsplit           1
+ acceleration/energy drift too large   3.79779225813693     
+   15.5739170626962       split increased to            2  itime      856361 
+  itsplit           1
+ acceleration/energy drift too large   4.28449275870720     
+   19.6576330725434       split increased to            2  itime      857531 
+  itsplit           1
+ acceleration/energy drift too large   6.62333786343115     
+   12.6131954903391       split increased to            2  itime      858035 
+  itsplit           1
+ acceleration/energy drift too large   6.43179702188010     
+   16.1897983967648       split increased to            2  itime      858155 
+  itsplit           1
+ acceleration/energy drift too large   8.11650383037319     
+   15.6602078767251       split increased to            2  itime      858432 
+  itsplit           1
+ acceleration/energy drift too large   6.35903095929199     
+   23.4297110756282       split increased to            2  itime      858761 
+  itsplit           1
+ acceleration/energy drift too large   2.37405421642417     
+   15.1472486608351       split increased to            2  itime      858924 
+  itsplit           1
+ acceleration/energy drift too large   6.09358470738852     
+   10.9077721929170       split increased to            2  itime      859471 
+  itsplit           1
 Velocities reset to random values, time           171999.80
+ acceleration/energy drift too large   2.99205006305992     
+   10.2350419819350       split increased to            2  itime      860018 
+  itsplit           1
+ acceleration/energy drift too large   3.40837723928827     
+   25.7902701486737       split increased to            2  itime      860135 
+  itsplit           1
+ acceleration/energy drift too large   7.62635741992279     
+   31.4351267351660       split increased to            2  itime      860901 
+  itsplit           1
+ acceleration/energy drift too large   6.93431461412510     
+   15.1613228587910       split increased to            2  itime      861303 
+  itsplit           1
+ acceleration/energy drift too large   1.00987298164245     
+   10.3397339799149       split increased to            2  itime      861995 
+  itsplit           1
+ acceleration/energy drift too large   4.16853171169325     
+   13.0027043121091       split increased to            2  itime      863287 
+  itsplit           1
+ acceleration/energy drift too large   3.41312242463000     
+   11.5196222844960       split increased to            2  itime      865038 
+  itsplit           1
+ acceleration/energy drift too large   13.0330892078029     
+   57.0795780246197       split increased to            2  itime      868783 
+  itsplit           1
+ acceleration/energy drift too large   2.12413786848346     
+   10.0067532313556       split increased to            2  itime      868784 
+  itsplit           1
 Velocities reset to random values, time           173999.80
+ acceleration/energy drift too large   4.48316920487698     
+   15.3642270727834       split increased to            2  itime      870014 
+  itsplit           1
+ acceleration/energy drift too large   5.46663248460850     
+   17.7620124333731       split increased to            2  itime      870462 
+  itsplit           1
+ acceleration/energy drift too large   3.68493117330259     
+   15.0465686409301       split increased to            2  itime      871407 
+  itsplit           1
+ acceleration/energy drift too large   6.64682869143959     
+   24.9070890424714       split increased to            2  itime      871529 
+  itsplit           1
+ acceleration/energy drift too large   5.14654974865849     
+   29.8324859553264       split increased to            2  itime      871817 
+  itsplit           1
+ acceleration/energy drift too large   8.42810352971725     
+   17.9736890336102       split increased to            2  itime      872861 
+  itsplit           1
+ acceleration/energy drift too large   8.05814780717397     
+   30.6379757016150       split increased to            2  itime      874388 
+  itsplit           1
+ acceleration/energy drift too large   8.33355163012773     
+   38.3922122885332       split increased to            2  itime      874537 
+  itsplit           1
+ acceleration/energy drift too large   4.68644641701786     
+   16.0673717023889       split increased to            2  itime      876317 
+  itsplit           1
+ acceleration/energy drift too large   5.54838238836925     
+   10.2436358313971       split increased to            2  itime      876597 
+  itsplit           1
+ acceleration/energy drift too large   5.00469925291067     
+   27.3154930108518       split increased to            2  itime      877533 
+  itsplit           1
+ acceleration/energy drift too large   5.59046583329068     
+   26.8590207082939       split increased to            2  itime      877548 
+  itsplit           1
+ acceleration/energy drift too large   5.48771666783080     
+   28.7019627916702       split increased to            2  itime      878543 
+  itsplit           1
+ acceleration/energy drift too large   3.73201268096728     
+   11.0757880270104       split increased to            2  itime      878693 
+  itsplit           1
+ acceleration/energy drift too large   9.05475934756846     
+   37.2516124384736       split increased to            2  itime      878702 
+  itsplit           1
+ acceleration/energy drift too large   5.05447404120733     
+   25.2698507175826       split increased to            2  itime      879010 
+  itsplit           1
 Velocities reset to random values, time           175999.80
+ acceleration/energy drift too large   9.75728425299078     
+   41.0870040318110       split increased to            2  itime      881324 
+  itsplit           1
+ acceleration/energy drift too large   4.47116429398335     
+   14.1341879857286       split increased to            2  itime      881606 
+  itsplit           1
+ acceleration/energy drift too large   5.64122344751255     
+   18.8058428574082       split increased to            2  itime      881685 
+  itsplit           1
+ acceleration/energy drift too large   3.38201272748284     
+   14.2758439607364       split increased to            2  itime      881738 
+  itsplit           1
+ acceleration/energy drift too large   6.24012822934427     
+   18.0100837224270       split increased to            2  itime      882462 
+  itsplit           1
+ acceleration/energy drift too large   8.07778553109738     
+   25.6531995482950       split increased to            2  itime      882553 
+  itsplit           1
+ acceleration/energy drift too large   9.02012689384697     
+   45.8986493682498       split increased to            2  itime      883151 
+  itsplit           1
+ acceleration/energy drift too large   4.38698856093318     
+   13.0492338203838       split increased to            2  itime      883152 
+  itsplit           1
+ acceleration/energy drift too large   3.77344730739846     
+   31.4190984399745       split increased to            2  itime      883483 
+  itsplit           1
+ acceleration/energy drift too large   6.64034466081295     
+   13.3128353634422       split increased to            2  itime      883906 
+  itsplit           1
+ acceleration/energy drift too large   2.99139857812002     
+   11.1499735253225       split increased to            2  itime      883907 
+  itsplit           1
+ acceleration/energy drift too large   4.24537943309958     
+   18.7215985233019       split increased to            2  itime      883926 
+  itsplit           1
+ acceleration/energy drift too large   4.81741301780442     
+   20.8858375981111       split increased to            2  itime      884371 
+  itsplit           1
+ acceleration/energy drift too large   6.52081369720799     
+   24.9620853130424       split increased to            2  itime      884974 
+  itsplit           1
+ acceleration/energy drift too large  0.263370944738246     
+   12.0317858012129       split increased to            2  itime      884975 
+  itsplit           1
+ acceleration/energy drift too large   3.98878456038785     
+   13.0035973568009       split increased to            2  itime      885542 
+  itsplit           1
+ acceleration/energy drift too large   3.18261729071186     
+   11.0608343884385       split increased to            2  itime      885578 
+  itsplit           1
+ acceleration/energy drift too large   4.92939709666047     
+   18.2408544479708       split increased to            2  itime      885837 
+  itsplit           1
+ acceleration/energy drift too large   4.34515561364903     
+   13.1606681215121       split increased to            2  itime      886867 
+  itsplit           1
+ acceleration/energy drift too large   4.64805771470019     
+   28.0828383580426       split increased to            2  itime      887096 
+  itsplit           1
+ acceleration/energy drift too large   5.31018609394849     
+   32.0949137523407       split increased to            2  itime      889001 
+  itsplit           1
+ acceleration/energy drift too large   6.82513543801012     
+   23.6627509990968       split increased to            2  itime      889901 
+  itsplit           1
+ acceleration/energy drift too large   10.9629338214056     
+   58.8838096980452       split increased to            2  itime      889927 
+  itsplit           1
 Velocities reset to random values, time           177999.80
+ acceleration/energy drift too large   4.36779603957700     
+   24.8966689634780       split increased to            2  itime      890498 
+  itsplit           1
+ acceleration/energy drift too large   4.47372517857774     
+   19.6760890913935       split increased to            2  itime      890596 
+  itsplit           1
+ acceleration/energy drift too large   4.14351180458100     
+   10.4511039981667       split increased to            2  itime      890712 
+  itsplit           1
+ acceleration/energy drift too large   10.2963683940520     
+   45.2861029725464       split increased to            2  itime      890950 
+  itsplit           1
+ acceleration/energy drift too large   8.00597792217140     
+   28.6236925691628       split increased to            2  itime      892274 
+  itsplit           1
+ acceleration/energy drift too large   5.02319824980618     
+   10.7412013842596       split increased to            2  itime      892567 
+  itsplit           1
+ acceleration/energy drift too large   5.66486812447466     
+   21.2749068812215       split increased to            2  itime      892592 
+  itsplit           1
+ acceleration/energy drift too large   5.81284141455630     
+   28.0663381368691       split increased to            2  itime      893061 
+  itsplit           1
+ acceleration/energy drift too large   4.30815622737141     
+   15.5949203230660       split increased to            2  itime      893492 
+  itsplit           1
+ acceleration/energy drift too large   12.1819107276745     
+   65.0361040217672       split increased to            2  itime      893925 
+  itsplit           1
+ acceleration/energy drift too large   7.80254918281608     
+   14.5743526834994       split increased to            2  itime      894184 
+  itsplit           1
+ acceleration/energy drift too large   3.90420148861399     
+   18.7112169089617       split increased to            2  itime      894537 
+  itsplit           1
+ acceleration/energy drift too large   8.09224840033428     
+   23.0036447957748       split increased to            2  itime      894588 
+  itsplit           1
+ acceleration/energy drift too large   5.75108790283350     
+   22.1618084409864       split increased to            2  itime      895492 
+  itsplit           1
+ acceleration/energy drift too large   8.08098119782837     
+   32.6098455266172       split increased to            2  itime      897411 
+  itsplit           1
+ acceleration/energy drift too large   2.27046515056975     
+   12.9209978044190       split increased to            2  itime      897412 
+  itsplit           1
+ acceleration/energy drift too large   2.81204518953327     
+   10.7801647430719       split increased to            2  itime      897898 
+  itsplit           1
+ acceleration/energy drift too large   6.00422851541804     
+   18.6321947426595       split increased to            2  itime      898369 
+  itsplit           1
+ acceleration/energy drift too large   6.13140200018052     
+   10.2266616808305       split increased to            2  itime      899966 
+  itsplit           1
 Velocities reset to random values, time           179999.80
  REMD synchro at      900000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   444.828125000000       0.000000000000000E+000
+ REMD gather times=   373.199218750000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
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- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i          40  nupa(0,i)           0
- i           7
- i           7  nupa(0,i)           4
- i          23  nupa(0,i)           4
- i          23  nupa(0,i)           4
- i          11  nupa(0,i)           4
- i          29  nupa(0,i)           4
- i          29  nupa(0,i)           4
- i          45  nupa(0,i)           4
- i           2  nupa(0,i)           4
- i           2  nupa(0,i)           4
- i           2  nupa(0,i)           4
- i          54  nupa(0,i)           4
- i          54  nupa(0,i)           4
- i          54  nupa(0,i)           4
- i          54  nupa(0,i)           4
- i          54  nupa(0,i)           4
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
- i          54  nupa(0,i)           0
  NREP          16
-ACC   1   250.00000     0.41667   36
-ACC   2   260.00000     0.63889   36
-ACC   3   270.00000     0.41667   36
-ACC   4   280.00000     0.63889   36
-ACC   5   290.00000     0.44444   36
-ACC   6   300.00000     0.61111   36
-ACC   7   310.00000     0.52778   36
-ACC   8   320.00000     0.52778   36
-ACC   9   330.00000     0.72222   36
-ACC  10   340.00000     0.63889   36
-ACC  11   350.00000     0.83333   36
-ACC  12   360.00000     0.77778   36
-ACC  13   370.00000     0.88889   36
-ACC  14   380.00000     0.80556   36
-ACC  15   390.00000     0.80556   36
+ACC   1   250.00000     0.38889   18
+ACC   2   260.00000     0.27778   18
+ACC   3   270.00000     0.61111   18
+ACC   4   280.00000     0.66667   18
+ACC   5   290.00000     0.77778   18
+ACC   6   300.00000     0.72222   18
+ACC   7   310.00000     0.66667   18
+ACC   8   320.00000     0.61111   18
+ACC   9   330.00000     0.72222   18
+ACC  10   340.00000     0.55556   18
+ACC  11   350.00000     0.77778   18
+ACC  12   360.00000     0.88889   18
+ACC  13   370.00000     0.72222   18
+ACC  14   380.00000     1.00000   18
+ACC  15   390.00000     0.88889   18
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  1.171875000000000E-002
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   4.93437115929913     
+   15.0101778190027       split increased to            2  itime      901458 
+  itsplit           1
+ acceleration/energy drift too large   6.23402609252654     
+   14.4562536827666       split increased to            2  itime      902306 
+  itsplit           1
+ acceleration/energy drift too large   2.99968056491140     
+   20.4446159912064       split increased to            2  itime      902468 
+  itsplit           1
+ acceleration/energy drift too large   3.58446877753617     
+   10.2761800414219       split increased to            2  itime      904271 
+  itsplit           1
+ acceleration/energy drift too large   4.00651805994318     
+   22.1471642208457       split increased to            2  itime      906132 
+  itsplit           1
+ acceleration/energy drift too large   4.85938913669745     
+   14.5226291007124       split increased to            2  itime      906133 
+  itsplit           1
+ acceleration/energy drift too large   4.80027462530083     
+   16.3990832941431       split increased to            2  itime      906140 
+  itsplit           1
+ acceleration/energy drift too large   4.29442321794351     
+   17.7722159592652       split increased to            2  itime      906286 
+  itsplit           1
+ acceleration/energy drift too large   3.08903550090499     
+   12.5731053522371       split increased to            2  itime      906287 
+  itsplit           1
+ acceleration/energy drift too large   6.80185232783696     
+   27.1935372158233       split increased to            2  itime      907678 
+  itsplit           1
+ acceleration/energy drift too large   3.87821223950876     
+   22.7963857622274       split increased to            2  itime      908163 
+  itsplit           1
+ acceleration/energy drift too large   3.83402775545744     
+   11.3250287229579       split increased to            2  itime      908164 
+  itsplit           1
+ acceleration/energy drift too large   3.35094012711318     
+   16.4693126884373       split increased to            2  itime      908232 
+  itsplit           1
+ acceleration/energy drift too large   6.30726425217768     
+   19.7459594678826       split increased to            2  itime      908549 
+  itsplit           1
+ acceleration/energy drift too large   5.07988741659012     
+   17.6543755976998       split increased to            2  itime      908770 
+  itsplit           1
+ acceleration/energy drift too large   2.30347111871892     
+   10.3511918379433       split increased to            2  itime      909562 
+  itsplit           1
+ acceleration/energy drift too large   4.22646771764469     
+   20.1576902483019       split increased to            2  itime      909591 
+  itsplit           1
+ acceleration/energy drift too large   5.47939704292618     
+   22.8704872452274       split increased to            2  itime      909731 
+  itsplit           1
 Velocities reset to random values, time           181999.80
+ acceleration/energy drift too large   5.09467054175795     
+   26.3969122856032       split increased to            2  itime      910687 
+  itsplit           1
+ acceleration/energy drift too large   5.67033361430972     
+   25.6818534970529       split increased to            2  itime      910770 
+  itsplit           1
+ acceleration/energy drift too large   4.99579558348459     
+   24.0473705823683       split increased to            2  itime      910798 
+  itsplit           1
+ acceleration/energy drift too large   3.86536720461861     
+   21.5771872582344       split increased to            2  itime      913346 
+  itsplit           1
+ acceleration/energy drift too large   3.44077645781660     
+   10.2419034181596       split increased to            2  itime      913372 
+  itsplit           1
+ acceleration/energy drift too large   5.28482377800547     
+   32.3645650565124       split increased to            2  itime      913588 
+  itsplit           1
+ acceleration/energy drift too large   13.4909664207648     
+   69.4081346804915       split increased to            2  itime      915749 
+  itsplit           1
+ acceleration/energy drift too large   12.1372326604667     
+   65.6913078401244       split increased to            2  itime      916042 
+  itsplit           1
+ acceleration/energy drift too large   4.40131450822704     
+   22.1495751135271       split increased to            2  itime      916232 
+  itsplit           1
+ acceleration/energy drift too large   10.2989448147296     
+   51.9670279406022       split increased to            2  itime      917267 
+  itsplit           1
+ acceleration/energy drift too large   3.88462128949334     
+   12.4411002466979       split increased to            2  itime      917627 
+  itsplit           1
+ acceleration/energy drift too large   5.31411568143583     
+   15.7333203477963       split increased to            2  itime      917720 
+  itsplit           1
+ acceleration/energy drift too large   3.66157513459153     
+   12.5476649583374       split increased to            2  itime      917968 
+  itsplit           1
+ acceleration/energy drift too large   5.70706498520026     
+   16.5581569994549       split increased to            2  itime      918387 
+  itsplit           1
 Velocities reset to random values, time           183999.80
+ acceleration/energy drift too large   5.56429193417560     
+   29.3175208962556       split increased to            2  itime      920148 
+  itsplit           1
+ acceleration/energy drift too large   6.64284676109226     
+   40.1256986281886       split increased to            2  itime      920893 
+  itsplit           1
+ acceleration/energy drift too large   4.38787227250577     
+   21.6276639104141       split increased to            2  itime      921366 
+  itsplit           1
+ acceleration/energy drift too large   3.19740832964449     
+   10.1014459500854       split increased to            2  itime      921375 
+  itsplit           1
+ acceleration/energy drift too large   7.38527854588811     
+   29.6312062575902       split increased to            2  itime      921552 
+  itsplit           1
+ acceleration/energy drift too large  0.438305168966215     
+   10.5232281253846       split increased to            2  itime      921553 
+  itsplit           1
+ acceleration/energy drift too large   1.58109993029180     
+   14.7565363565881       split increased to            2  itime      921769 
+  itsplit           1
+ acceleration/energy drift too large   5.67760329803003     
+   22.2165147218619       split increased to            2  itime      922374 
+  itsplit           1
+ acceleration/energy drift too large   12.2130329960643     
+   70.1010473279690       split increased to            2  itime      922481 
+  itsplit           1
+ acceleration/energy drift too large   8.60481415122008     
+   31.1592249184065       split increased to            2  itime      923609 
+  itsplit           1
+ acceleration/energy drift too large   8.23813611453226     
+   32.1689412432831       split increased to            2  itime      923896 
+  itsplit           1
+ acceleration/energy drift too large   1.06703222250487     
+   13.4953480246859       split increased to            2  itime      923897 
+  itsplit           1
+ acceleration/energy drift too large   4.12304869493284     
+   15.3307047070699       split increased to            2  itime      924596 
+  itsplit           1
+ acceleration/energy drift too large   9.22935151192767     
+   47.5203519308285       split increased to            2  itime      925930 
+  itsplit           1
+ acceleration/energy drift too large   4.29060269682502     
+   21.6584126945005       split increased to            2  itime      926384 
+  itsplit           1
+ acceleration/energy drift too large   3.72724613327602     
+   11.7006581107728       split increased to            2  itime      926784 
+  itsplit           1
+ acceleration/energy drift too large   9.90482414129620     
+   32.5056758649788       split increased to            2  itime      927004 
+  itsplit           1
+ acceleration/energy drift too large   4.68488846071996     
+   19.5894347673683       split increased to            2  itime      927131 
+  itsplit           1
+ acceleration/energy drift too large   5.79449162997045     
+   15.0490214221326       split increased to            2  itime      927860 
+  itsplit           1
+ acceleration/energy drift too large   3.80198701355842     
+   14.4179139400938       split increased to            2  itime      927922 
+  itsplit           1
+ acceleration/energy drift too large   5.33716600225005     
+   10.5087033948092       split increased to            2  itime      927964 
+  itsplit           1
+ acceleration/energy drift too large   4.71105565978845     
+   15.7922639658713       split increased to            2  itime      928961 
+  itsplit           1
+ acceleration/energy drift too large   6.08600055206621     
+   21.4112799856860       split increased to            2  itime      929176 
+  itsplit           1
 Velocities reset to random values, time           185999.80
+ acceleration/energy drift too large   4.47317438085271     
+   13.9918727493533       split increased to            2  itime      930716 
+  itsplit           1
+ acceleration/energy drift too large   7.61542398160146     
+   20.9377285698323       split increased to            2  itime      930936 
+  itsplit           1
+ acceleration/energy drift too large   5.84231354053295     
+   11.9979614683458       split increased to            2  itime      931112 
+  itsplit           1
+ acceleration/energy drift too large   5.14036544416182     
+   13.2956735478108       split increased to            2  itime      931812 
+  itsplit           1
+ acceleration/energy drift too large   12.4085325018450     
+   72.9235885011681       split increased to            2  itime      931956 
+  itsplit           1
+ acceleration/energy drift too large   4.25445784132679     
+   19.7286268432905       split increased to            2  itime      931988 
+  itsplit           1
+ acceleration/energy drift too large   9.30921243877480     
+   40.2095483022950       split increased to            2  itime      932199 
+  itsplit           1
+ acceleration/energy drift too large   7.35008464542795     
+   21.7813388810560       split increased to            2  itime      932200 
+  itsplit           1
+ acceleration/energy drift too large   1.48243780969227     
+   10.6102583561273       split increased to            2  itime      932201 
+  itsplit           1
+ acceleration/energy drift too large   4.25633512692957     
+   12.1440705603712       split increased to            2  itime      933754 
+  itsplit           1
+ acceleration/energy drift too large   8.99919094893868     
+   36.5826445520266       split increased to            2  itime      933767 
+  itsplit           1
+ acceleration/energy drift too large   4.68498523088640     
+   21.4274055628450       split increased to            2  itime      934373 
+  itsplit           1
+ acceleration/energy drift too large   3.72150962358112     
+   14.6551097639788       split increased to            2  itime      935499 
+  itsplit           1
+ acceleration/energy drift too large   2.96165562232275     
+   12.8539171781291       split increased to            2  itime      935923 
+  itsplit           1
+ acceleration/energy drift too large   3.03855160784851     
+   12.5300022063457       split increased to            2  itime      937073 
+  itsplit           1
+ acceleration/energy drift too large   7.60834068261137     
+   19.2801094092748       split increased to            2  itime      937329 
+  itsplit           1
+ acceleration/energy drift too large   3.91825253642270     
+   10.5284529658647       split increased to            2  itime      937379 
+  itsplit           1
+ acceleration/energy drift too large   12.8377656694859     
+   66.2483337549252       split increased to            2  itime      939014 
+  itsplit           1
+ acceleration/energy drift too large   5.68191649703531     
+   30.6533963098847       split increased to            2  itime      939506 
+  itsplit           1
 Velocities reset to random values, time           187999.80
+ acceleration/energy drift too large   5.24740822173693     
+   25.0947241812972       split increased to            2  itime      940152 
+  itsplit           1
+ acceleration/energy drift too large   4.48255840922835     
+   18.0958424953358       split increased to            2  itime      941590 
+  itsplit           1
+ acceleration/energy drift too large   3.82879880331392     
+   15.8016757913401       split increased to            2  itime      942863 
+  itsplit           1
+ acceleration/energy drift too large   5.43918886244314     
+   27.8890555309109       split increased to            2  itime      943738 
+  itsplit           1
+ acceleration/energy drift too large   4.19823988057940     
+   14.1900815764153       split increased to            2  itime      944063 
+  itsplit           1
+ acceleration/energy drift too large   3.10258815927535     
+   10.8904351399417       split increased to            2  itime      945234 
+  itsplit           1
+ acceleration/energy drift too large   1.95775952733817     
+   11.5335341263733       split increased to            2  itime      946027 
+  itsplit           1
+ acceleration/energy drift too large   7.69451164938157     
+   32.3971720271101       split increased to            2  itime      946129 
+  itsplit           1
+ acceleration/energy drift too large   3.78812930180239     
+   13.0566190076797       split increased to            2  itime      946137 
+  itsplit           1
+ acceleration/energy drift too large   3.34611334403611     
+   11.0468787276732       split increased to            2  itime      946168 
+  itsplit           1
+ acceleration/energy drift too large   6.02605362164031     
+   12.0312683397919       split increased to            2  itime      946722 
+  itsplit           1
+ acceleration/energy drift too large   6.01642971241327     
+   12.9319001467940       split increased to            2  itime      946801 
+  itsplit           1
+ acceleration/energy drift too large   5.04887898131533     
+   10.1685634966359       split increased to            2  itime      947009 
+  itsplit           1
+ acceleration/energy drift too large   5.16001033979912     
+   14.4744643571712       split increased to            2  itime      947612 
+  itsplit           1
+ acceleration/energy drift too large   4.07991984644002     
+   23.3995076657738       split increased to            2  itime      947620 
+  itsplit           1
+ acceleration/energy drift too large   4.11639392149935     
+   12.9072302676626       split increased to            2  itime      948104 
+  itsplit           1
+ acceleration/energy drift too large   3.04719165085300     
+   13.1226507930868       split increased to            2  itime      948317 
+  itsplit           1
+ acceleration/energy drift too large   5.09789646580244     
+   10.0500170251243       split increased to            2  itime      948393 
+  itsplit           1
+ acceleration/energy drift too large   5.45734651817151     
+   15.8517923503394       split increased to            2  itime      949390 
+  itsplit           1
+ acceleration/energy drift too large   11.4665036224663     
+   62.6447240694330       split increased to            2  itime      949453 
+  itsplit           1
+ acceleration/energy drift too large   4.08603411271666     
+   11.2556477421009       split increased to            2  itime      949465 
+  itsplit           1
 Velocities reset to random values, time           189999.80
+ acceleration/energy drift too large   5.85287446296466     
+   14.9991102514819       split increased to            2  itime      950305 
+  itsplit           1
+ acceleration/energy drift too large   3.71477119655034     
+   16.3182533353808       split increased to            2  itime      950339 
+  itsplit           1
+ acceleration/energy drift too large   2.83743387635930     
+   16.8383827088342       split increased to            2  itime      951329 
+  itsplit           1
+ acceleration/energy drift too large   3.90670326374004     
+   15.3220640230232       split increased to            2  itime      953690 
+  itsplit           1
+ acceleration/energy drift too large   2.62861239174918     
+   10.7410202238117       split increased to            2  itime      954006 
+  itsplit           1
+ acceleration/energy drift too large   8.86715714960890     
+   32.9070869824575       split increased to            2  itime      954055 
+  itsplit           1
+ acceleration/energy drift too large   7.22473560415109     
+   28.6103141790460       split increased to            2  itime      954440 
+  itsplit           1
+ acceleration/energy drift too large   5.30416133201391     
+   11.4141641246531       split increased to            2  itime      954673 
+  itsplit           1
+ acceleration/energy drift too large   5.94109047559299     
+   20.8563622923526       split increased to            2  itime      956224 
+  itsplit           1
+ acceleration/energy drift too large   10.6676691962792     
+   54.2823662230696       split increased to            2  itime      956372 
+  itsplit           1
+ acceleration/energy drift too large   3.11409700438409     
+   11.9370765376507       split increased to            2  itime      956373 
+  itsplit           1
+ acceleration/energy drift too large   9.99337950790110     
+   50.6344725381340       split increased to            2  itime      957377 
+  itsplit           1
+ acceleration/energy drift too large   8.76686080597280     
+   33.1394526880058       split increased to            2  itime      957624 
+  itsplit           1
+ acceleration/energy drift too large   4.83868928694961     
+   15.2407387496088       split increased to            2  itime      959250 
+  itsplit           1
 Velocities reset to random values, time           191999.80
+ acceleration/energy drift too large   6.42933846314199     
+   10.8511750843030       split increased to            2  itime      960109 
+  itsplit           1
+ acceleration/energy drift too large   3.75593246380607     
+   11.3652767625915       split increased to            2  itime      961040 
+  itsplit           1
+ acceleration/energy drift too large   4.06342056085148     
+   13.0522576387192       split increased to            2  itime      961573 
+  itsplit           1
+ acceleration/energy drift too large   1.89710333313758     
+   13.1122808625410       split increased to            2  itime      963062 
+  itsplit           1
+ acceleration/energy drift too large   4.23920866831200     
+   11.4845842268528       split increased to            2  itime      963422 
+  itsplit           1
+ acceleration/energy drift too large   5.35973488462845     
+   24.8876589245069       split increased to            2  itime      964362 
+  itsplit           1
+ acceleration/energy drift too large   14.6799926241109     
+   91.7903279572226       split increased to            2  itime      964694 
+  itsplit           1
+ acceleration/energy drift too large   5.85462317938537     
+   24.4728598938659       split increased to            2  itime      966087 
+  itsplit           1
+ acceleration/energy drift too large   6.67269614419787     
+   23.6469460395627       split increased to            2  itime      966156 
+  itsplit           1
+ acceleration/energy drift too large   4.52312566278489     
+   13.0889079479931       split increased to            2  itime      966325 
+  itsplit           1
+ acceleration/energy drift too large   5.47356410412379     
+   18.2121923372165       split increased to            2  itime      969072 
+  itsplit           1
+ acceleration/energy drift too large   6.46212752820196     
+   21.4560259385226       split increased to            2  itime      969115 
+  itsplit           1
 Velocities reset to random values, time           193999.80
+ acceleration/energy drift too large   7.59783226207096     
+   20.3838446732889       split increased to            2  itime      970164 
+  itsplit           1
+ acceleration/energy drift too large   7.68605738823907     
+   25.7785069050754       split increased to            2  itime      971406 
+  itsplit           1
+ acceleration/energy drift too large   3.34888668030859     
+   20.1752881212538       split increased to            2  itime      972465 
+  itsplit           1
+ acceleration/energy drift too large   3.56399452097903     
+   12.8160196910087       split increased to            2  itime      972736 
+  itsplit           1
+ acceleration/energy drift too large   4.82836545198027     
+   13.2089217090868       split increased to            2  itime      972779 
+  itsplit           1
+ acceleration/energy drift too large   5.97141397664501     
+   15.1370584478844       split increased to            2  itime      976108 
+  itsplit           1
+ acceleration/energy drift too large   10.5923629945406     
+   71.9190696934368       split increased to            2  itime      978542 
+  itsplit           1
+ acceleration/energy drift too large   5.88501413398793     
+   13.5630053549221       split increased to            2  itime      978603 
+  itsplit           1
+ acceleration/energy drift too large   4.63888612685780     
+   13.1342235544612       split increased to            2  itime      979238 
+  itsplit           1
 Velocities reset to random values, time           195999.80
+ acceleration/energy drift too large   6.60743137668364     
+   16.6153955908116       split increased to            2  itime      980986 
+  itsplit           1
+ acceleration/energy drift too large   7.92518090623341     
+   30.3280729314424       split increased to            2  itime      981068 
+  itsplit           1
+ acceleration/energy drift too large   4.94810485676927     
+   11.0035827892719       split increased to            2  itime      981132 
+  itsplit           1
+ acceleration/energy drift too large   8.33704383212318     
+   26.4873381265814       split increased to            2  itime      981351 
+  itsplit           1
+ acceleration/energy drift too large   2.45411157116396     
+   14.4319185810067       split increased to            2  itime      981392 
+  itsplit           1
+ acceleration/energy drift too large   5.06038857354386     
+   18.0610226812088       split increased to            2  itime      981581 
+  itsplit           1
+ acceleration/energy drift too large   5.31079782616808     
+   19.5726040559181       split increased to            2  itime      983607 
+  itsplit           1
+ acceleration/energy drift too large   5.12211749847086     
+   31.0571937142762       split increased to            2  itime      983656 
+  itsplit           1
+ acceleration/energy drift too large   3.46727590646042     
+   10.4410338698411       split increased to            2  itime      983719 
+  itsplit           1
+ acceleration/energy drift too large   5.15745027275192     
+   14.3517863433870       split increased to            2  itime      984132 
+  itsplit           1
+ acceleration/energy drift too large   5.60382704448450     
+   33.8135120505602       split increased to            2  itime      984205 
+  itsplit           1
+ acceleration/energy drift too large   10.7354551007698     
+   41.0754013691474       split increased to            2  itime      984760 
+  itsplit           1
+ acceleration/energy drift too large   4.13227015195393     
+   13.2763627139170       split increased to            2  itime      986890 
+  itsplit           1
+ acceleration/energy drift too large   5.24773554968488     
+   20.4821532794208       split increased to            2  itime      987203 
+  itsplit           1
+ acceleration/energy drift too large   2.72906214504816     
+   13.2112571800807       split increased to            2  itime      987553 
+  itsplit           1
+ acceleration/energy drift too large   6.78875247695467     
+   10.8197900661571       split increased to            2  itime      987865 
+  itsplit           1
+ acceleration/energy drift too large   3.08908612570232     
+   17.0662214989227       split increased to            2  itime      988663 
+  itsplit           1
+ acceleration/energy drift too large   2.12819697520283     
+   10.9914915667223       split increased to            2  itime      988970 
+  itsplit           1
 Velocities reset to random values, time           197999.80
+ acceleration/energy drift too large   5.31336084563101     
+   20.1247269319571       split increased to            2  itime      993048 
+  itsplit           1
+ acceleration/energy drift too large   4.01904876552316     
+   15.3342747479772       split increased to            2  itime      994096 
+  itsplit           1
+ acceleration/energy drift too large   8.31183759775714     
+   33.8268155226665       split increased to            2  itime      994111 
+  itsplit           1
+ acceleration/energy drift too large   6.01317140278755     
+   10.7920252565202       split increased to            2  itime      995266 
+  itsplit           1
+ acceleration/energy drift too large   5.12941728574690     
+   11.8982786194202       split increased to            2  itime      995668 
+  itsplit           1
+ acceleration/energy drift too large   5.57555697467394     
+   19.4554076874888       split increased to            2  itime      995915 
+  itsplit           1
+ acceleration/energy drift too large   3.63926980681538     
+   10.4007927953560       split increased to            2  itime      996505 
+  itsplit           1
+ acceleration/energy drift too large   2.74788309447201     
+   11.3400041220690       split increased to            2  itime      996905 
+  itsplit           1
+ acceleration/energy drift too large   7.53816938717903     
+   12.3424458674330       split increased to            2  itime      997275 
+  itsplit           1
+ acceleration/energy drift too large   5.59712098102105     
+   14.9258324621881       split increased to            2  itime      999687 
+  itsplit           1
+ acceleration/energy drift too large   13.7419429546435     
+   88.2455049087783       split increased to            2  itime      999918 
+  itsplit           1
 Velocities reset to random values, time           199999.80
  REMD synchro at     1000000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
  writing restart at the end of run
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    4.61539E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.73910E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.94711E+02
+                               MD steps:    4.14270E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   495.281250000000       sec
+ Total wall clock time   414.292968750000       sec
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB000.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB000.stat
index 6776a5a..57883ac 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB000.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB000.stat
@@ -1,101 +1,101 @@
-         0           0.00      21.719      21.380      43.099  12.87 0.000   NaN   NaN 0.938     197.043     250.000      15.552    0 
-     10000        2000.00      22.794     -46.908     -24.114   6.88 0.214 0.786 0.325 1.346     206.800     250.000       6.741    0 
-     20000        4000.00      24.026     -54.279     -30.253   6.84 0.214 0.800 0.400 1.490     217.972     250.000       6.987    0 
-     30000        6000.00      27.367     -54.141     -26.774   7.14 0.286 0.750 0.332 1.525     248.289     250.000       6.468    0 
-     40000        8000.00      24.790     -51.711     -26.921   7.05 0.286 0.765 0.318 1.018     224.908     250.000       6.834    0 
-     50000       10000.00      22.836     -46.775     -23.939   7.42 0.357 0.706 0.281 0.892     207.178     250.000       6.779    0 
-     60000       12000.00      28.647     -47.682     -19.035   7.11 0.214 0.750 0.295 2.085     259.901     250.000       6.881    0 
-     70000       14000.00      28.107     -51.209     -23.102   6.23 0.286 0.667 0.265 1.202     255.000     250.000       6.935    0 
-     80000       16000.00      20.401     -44.976     -24.575   4.13 0.143 0.846 0.287 1.455     185.091     250.000       6.497    0 
-     90000       18000.00      29.405     -51.969     -22.564   5.58 0.286 0.692 0.287 1.134     266.778     250.000       6.628    0 
-    100000       20000.00      24.044     -39.674     -15.629   6.36 0.143 0.800 0.300 1.936     218.142     250.000       7.315    0 
-    110000       22000.00      31.310     -11.683      19.627   7.53 0.000 1.000 0.325 1.645     284.059     310.000       7.910    0 
-    120000       24000.00      31.995     -17.223      14.772   6.17 0.071 0.750 0.295 1.292     290.274     310.000       8.065    0 
-    130000       26000.00      28.621     -20.749       7.871   8.19 0.286 0.500 0.188 1.895     259.660     310.000      10.735    0 
-    140000       28000.00      29.837     -36.325      -6.488   5.75 0.214 0.750 0.409 1.143     270.698     310.000       6.858    0 
-    150000       30000.00      28.632     -27.790       0.842   4.58 0.214 0.667 0.217 1.585     259.765     310.000       7.584    0 
-    160000       32000.00      36.559     -31.093       5.465   2.89 0.571 0.467 0.339 2.181     331.680     310.000       6.616    0 
-    170000       34000.00      27.612     -34.332      -6.720   3.04 0.286 0.636 0.438 1.047     250.514     310.000       7.134    0 
-    180000       36000.00      32.581     -38.504      -5.923   3.16 0.357 0.500 0.364 1.805     295.594     310.000       7.081    0 
-    190000       38000.00      36.413     -31.710       4.703   4.64 0.143 0.833 0.386 2.253     330.356     310.000       6.702    0 
-    200000       40000.00      25.625     -28.556      -2.931   4.49 0.214 0.625 0.193 2.678     232.483     310.000       7.633    0 
-    210000       42000.00      25.922     -34.576      -8.654   4.38 0.071 0.833 0.227 2.017     235.179     300.000       7.827    0 
-    220000       44000.00      33.666     -40.295      -6.629   3.71 0.143 0.667 0.303 1.305     305.438     300.000       7.086    0 
-    230000       46000.00      30.501     -41.626     -11.125   2.71 0.286 0.692 0.266 1.667     276.719     300.000       6.402    0 
-    240000       48000.00      28.020     -27.038       0.982   5.10 0.071 0.889 0.404 1.669     254.211     300.000       7.455    0 
-    250000       50000.00      32.874     -36.423      -3.549   3.68 0.286 0.600 0.386 1.664     298.247     300.000       6.847    0 
-    260000       52000.00      34.135     -39.822      -5.687   3.36 0.143 0.778 0.273 1.038     309.690     300.000       7.178    0 
-    270000       54000.00      25.079     -42.513     -17.434   3.60 0.286 0.636 0.318 1.258     227.531     300.000       6.619    0 
-    280000       56000.00      28.480     -43.155     -14.675   4.05 0.143 0.846 0.311 2.077     258.384     300.000       6.853    0 
-    290000       58000.00      26.642     -31.626      -4.984   4.05 0.357 0.545 0.426 1.997     241.710     300.000       7.149    0 
-    300000       60000.00      27.937     -41.866     -13.929   3.45 0.286 0.733 0.382 1.197     253.458     300.000       6.867    0 
-    310000       62000.00      31.852     -34.705      -2.853   3.46 0.357 0.444 0.308 2.093     288.980     300.000       7.019    0 
-    320000       64000.00      30.444     -37.822      -7.377   2.07 0.357 0.583 0.345 1.819     276.208     300.000       6.816    0 
-    330000       66000.00      32.580     -34.387      -1.807   3.58 0.357 0.583 0.212 1.705     295.579     300.000       7.752    0 
-    340000       68000.00      28.171     -45.385     -17.214   6.71 0.357 0.688 0.250 1.952     255.581     300.000       6.415    0 
-    350000       70000.00      26.415     -39.163     -12.748   6.17 0.357 0.583 0.379 2.875     239.650     300.000       6.814    0 
-    360000       72000.00      32.459     -38.762      -6.303   5.19 0.214 0.667 0.232 1.382     294.483     300.000       7.311    0 
-    370000       74000.00      29.515     -41.601     -12.086   6.61 0.286 0.667 0.273 1.740     267.780     300.000       7.269    0 
-    380000       76000.00      41.137     -40.732       0.405   5.11 0.429 0.571 0.227 1.152     373.212     300.000       7.492    0 
-    390000       78000.00      31.566     -40.896      -9.330   3.32 0.143 0.778 0.298 1.483     286.384     300.000       7.257    0 
-    400000       80000.00      30.292     -38.626      -8.334   5.43 0.286 0.600 0.191 2.571     274.828     300.000       8.184    0 
-    410000       82000.00      31.146     -43.987     -12.841   2.70 0.214 0.750 0.235 0.927     282.573     290.000       6.879    0 
-    420000       84000.00      26.690     -49.276     -22.585   4.80 0.286 0.692 0.248 1.146     242.149     290.000       7.712    0 
-    430000       86000.00      25.126     -33.080      -7.954   5.85 0.143 0.714 0.364 2.317     227.959     290.000       7.398    0 
-    440000       88000.00      36.814     -40.971      -4.157   5.32 0.143 0.750 0.261 2.621     334.000     290.000       6.840    0 
-    450000       90000.00      29.153     -40.094     -10.941   5.73 0.214 0.700 0.323 0.939     264.495     290.000       6.796    0 
-    460000       92000.00      28.794     -47.924     -19.130   6.54 0.214 0.769 0.203 1.454     261.235     290.000       7.672    0 
-    470000       94000.00      28.140     -41.964     -13.824   4.13 0.143 0.714 0.338 1.897     255.296     290.000       7.483    0 
-    480000       96000.00      31.584     -52.105     -20.521   4.74 0.143 0.833 0.280 1.761     286.547     290.000       6.739    0 
-    490000       98000.00      29.225     -50.245     -21.020   5.13 0.214 0.727 0.219 2.446     265.148     290.000       7.415    0 
-    500000      100000.00      31.377     -45.655     -14.277   4.89 0.214 0.727 0.256 1.269     284.670     290.000       6.819    0 
-    510000      102000.00      32.882     -37.950      -5.068   3.72 0.214 0.750 0.337 2.621     298.325     290.000       7.201    0 
-    520000      104000.00      23.451     -38.622     -15.171   5.23 0.357 0.444 0.177 1.527     212.763     290.000       7.957    0 
-    530000      106000.00      24.093     -37.943     -13.850   3.65 0.286 0.667 0.333 1.601     218.586     290.000       6.701    0 
-    540000      108000.00      31.733     -39.793      -8.061   3.99 0.357 0.444 0.202 2.644     287.897     290.000       7.621    0 
-    550000      110000.00      26.527     -45.224     -18.696   5.37 0.214 0.667 0.232 2.271     240.671     290.000       8.235    0 
-    560000      112000.00      28.500     -37.764      -9.264   6.29 0.357 0.545 0.194 1.423     258.571     290.000       7.332    0 
-    570000      114000.00      33.873     -42.531      -8.658   2.59 0.286 0.667 0.227 1.915     307.315     290.000       6.797    0 
-    580000      116000.00      25.606     -40.120     -14.514   6.16 0.143 0.800 0.382 1.497     232.307     290.000       6.945    0 
-    590000      118000.00      29.520     -47.351     -17.831   5.81 0.143 0.778 0.328 1.551     267.822     290.000       6.922    0 
-    600000      120000.00      26.241     -52.799     -26.558   4.86 0.429 0.455 0.277 2.508     238.070     290.000       7.221    0 
-    610000      122000.00      27.276     -42.683     -15.407   6.83 0.357 0.615 0.241 1.359     247.460     290.000       6.797    0 
-    620000      124000.00      32.502     -45.450     -12.948   6.04 0.286 0.556 0.202 1.842     294.875     290.000       8.009    0 
-    630000      126000.00      31.927     -43.669     -11.742   5.34 0.214 0.571 0.299 3.040     289.658     290.000       6.824    0 
-    640000      128000.00      28.580     -43.582     -15.002   5.25 0.214 0.625 0.216 0.992     259.289     290.000       7.314    0 
-    650000      130000.00      32.994     -46.869     -13.875   4.30 0.286 0.733 0.203 1.604     299.341     290.000       7.594    0 
-    660000      132000.00      26.332     -42.658     -16.326   2.55 0.429 0.538 0.304 2.159     238.894     290.000       6.465    0 
-    670000      134000.00      26.919     -44.260     -17.342   3.71 0.071 0.917 0.284 2.823     244.219     290.000       7.939    0 
-    680000      136000.00      23.007     -42.596     -19.589   2.28 0.500 0.562 0.273 2.190     208.732     290.000       6.945    0 
-    690000      138000.00      18.670     -46.142     -27.472   2.75 0.286 0.556 0.232 1.213     169.387     290.000       7.532    0 
-    700000      140000.00      33.671     -52.236     -18.565   2.11 0.571 0.529 0.307 2.107     305.478     290.000       6.638    0 
-    710000      142000.00      26.638     -47.194     -20.556   2.24 0.643 0.500 0.301 1.813     241.671     280.000       6.797    0 
-    720000      144000.00      25.776     -51.975     -26.199   1.91 0.643 0.550 0.298 0.629     233.855     280.000       6.452    0 
-    730000      146000.00      24.290     -44.058     -19.768   2.18 0.500 0.632 0.373 1.567     220.370     280.000       6.936    0 
-    740000      148000.00      27.543     -44.802     -17.259   2.98 0.357 0.583 0.265 1.191     249.888     280.000       7.627    0 
-    750000      150000.00      28.956     -39.925     -10.969   6.21 0.357 0.583 0.269 1.472     262.701     280.000       6.841    0 
-    760000      152000.00      28.656     -50.296     -21.639   6.48 0.071 0.917 0.231 2.069     259.986     280.000       7.176    0 
-    770000      154000.00      24.429     -56.067     -31.638   5.94 0.143 0.833 0.307 1.072     221.629     280.000       6.698    0 
-    780000      156000.00      24.205     -55.103     -30.898   6.21 0.143 0.846 0.322 1.745     219.601     280.000       6.617    0 
-    790000      158000.00      27.909     -47.393     -19.484   5.27 0.214 0.700 0.282 1.834     253.203     280.000       6.985    0 
-    800000      160000.00      17.062     -52.072     -35.010   4.52 0.357 0.688 0.352 1.089     154.793     280.000       6.725    0 
-    810000      162000.00      24.158     -60.736     -36.578   4.76 0.429 0.667 0.285 1.460     219.176     260.000       6.670    0 
-    820000      164000.00      27.911     -58.491     -30.581   5.27 0.214 0.750 0.314 1.680     253.220     260.000       6.775    0 
-    830000      166000.00      24.010     -57.278     -33.268   4.99 0.500 0.588 0.358 1.264     217.827     260.000       6.709    0 
-    840000      168000.00      22.019     -62.673     -40.653   4.52 0.214 0.800 0.285 1.180     199.769     260.000       6.436    0 
-    850000      170000.00      23.231     -54.348     -31.117   4.82 0.143 0.867 0.327 1.155     210.762     260.000       6.372    0 
-    860000      172000.00      26.618     -57.476     -30.858   4.67 0.214 0.727 0.335 0.904     241.492     260.000       6.587    0 
-    870000      174000.00      21.087     -57.635     -36.548   4.80 0.214 0.812 0.298 1.313     191.309     260.000       6.227    0 
-    880000      176000.00      35.920     -56.364     -20.444   4.00 0.286 0.667 0.201 2.821     325.888     260.000       7.428    0 
-    890000      178000.00      22.450     -59.547     -37.097   3.32 0.357 0.643 0.221 0.819     203.674     260.000       6.847    0 
-    900000      180000.00      28.312     -53.050     -24.739   4.56 0.214 0.750 0.273 1.405     256.860     260.000       6.436    0 
-    910000      182000.00      15.688     -52.256     -36.568   6.27 0.214 0.833 0.328 0.946     142.330     260.000       6.165    0 
-    920000      184000.00      25.251     -58.237     -32.986   6.15 0.214 0.800 0.309 1.450     229.090     260.000       6.799    0 
-    930000      186000.00      20.359     -49.053     -28.694   3.98 0.429 0.538 0.269 1.474     184.704     260.000       6.934    0 
-    940000      188000.00      23.243     -57.251     -34.007   6.71 0.429 0.647 0.238 2.330     210.877     260.000       6.516    0 
-    950000      190000.00      24.992     -51.140     -26.149   2.53 0.429 0.500 0.220 1.870     226.739     260.000       6.647    0 
-    960000      192000.00      19.544     -57.945     -38.400   1.69 0.643 0.357 0.295 1.325     177.317     260.000       6.669    0 
-    970000      194000.00      20.424     -65.171     -44.747   2.09 0.571 0.529 0.289 1.026     185.295     260.000       6.596    0 
-    980000      196000.00      26.756     -61.800     -35.044   2.36 0.786 0.389 0.336 1.017     242.745     260.000       6.103    0 
-    990000      198000.00      28.021     -63.051     -35.030   2.21 0.357 0.643 0.315 0.800     254.218     260.000       6.530    0 
-   1000000      200000.00      27.089     -51.858     -24.769   2.62 0.429 0.571 0.256 0.747     245.766     260.000       6.691    0 
+         0           0.00      26.352      24.996      51.347  12.87 0.000   NaN   NaN 0.711     239.075     250.000      15.552    0 
+     10000        2000.00      22.203     -34.358     -12.156   5.74 0.143 0.800 0.355 1.330     201.435     250.000       8.639    0 
+     20000        4000.00      30.840     -26.930       3.910   5.73 0.143 0.667 0.220 1.379     279.793     250.000       8.599    0 
+     30000        6000.00      26.527     -54.844     -28.317   6.57 0.214 0.769 0.217 1.916     240.666     250.000       7.134    0 
+     40000        8000.00      27.830     -43.167     -15.337   4.69 0.357 0.667 0.218 1.879     252.488     250.000       6.718    0 
+     50000       10000.00      27.494     -43.577     -16.083   4.37 0.286 0.667 0.292 1.641     249.438     250.000       6.640    0 
+     60000       12000.00      24.788     -50.373     -25.586   4.64 0.429 0.667 0.293 1.724     224.886     250.000       6.411    0 
+     70000       14000.00      26.175     -54.587     -28.412   4.70 0.357 0.615 0.245 1.238     237.476     250.000       6.732    0 
+     80000       16000.00      30.921     -45.917     -14.995   5.13 0.286 0.667 0.250 1.369     280.536     250.000       6.959    0 
+     90000       18000.00      22.679     -55.173     -32.494   4.81 0.357 0.615 0.269 1.510     205.756     250.000       6.548    0 
+    100000       20000.00      24.408     -50.728     -26.321   5.66 0.286 0.692 0.266 1.713     221.438     250.000       6.877    0 
+    110000       22000.00      21.220     -56.139     -34.919   6.29 0.286 0.750 0.281 2.883     192.516     250.000       6.860    0 
+    120000       24000.00      22.514     -49.899     -27.385   4.58 0.143 0.818 0.227 1.617     204.259     250.000       6.686    0 
+    130000       26000.00      21.376     -44.095     -22.719   3.77 0.357 0.667 0.309 1.370     193.932     250.000       6.529    0 
+    140000       28000.00      25.923     -43.716     -17.793   7.51 0.214 0.625 0.170 1.351     235.188     250.000       9.462    0 
+    150000       30000.00      23.159     -53.540     -30.382   3.49 0.286 0.667 0.322 0.895     210.109     250.000       6.983    0 
+    160000       32000.00      25.359     -50.494     -25.135   3.43 0.143 0.833 0.189 3.606     230.069     250.000       7.270    0 
+    170000       34000.00      29.007     -53.048     -24.040   4.74 0.286 0.733 0.188 1.020     263.170     250.000       7.383    0 
+    180000       36000.00      20.079     -55.242     -35.163   3.31 0.286 0.733 0.221 1.310     182.167     250.000       7.250    0 
+    190000       38000.00      27.102     -55.310     -28.207   3.68 0.357 0.615 0.325 1.400     245.885     250.000       6.649    0 
+    200000       40000.00      24.046     -51.481     -27.434   3.96 0.429 0.625 0.287 1.642     218.159     250.000       6.803    0 
+    210000       42000.00      30.307     -50.581     -20.274   4.02 0.357 0.615 0.245 1.449     274.961     250.000       7.091    0 
+    220000       44000.00      22.160     -55.691     -33.531   4.21 0.357 0.688 0.335 0.735     201.046     250.000       6.494    0 
+    230000       46000.00      27.136     -56.699     -29.563   3.62 0.286 0.667 0.197 1.627     246.194     250.000       6.909    0 
+    240000       48000.00      20.611     -59.699     -39.088   6.47 0.357 0.688 0.250 1.473     186.993     250.000       7.027    0 
+    250000       50000.00      29.053     -49.166     -20.113   5.84 0.286 0.556 0.202 1.861     263.584     250.000       6.895    0 
+    260000       52000.00      28.628     -50.922     -22.294   5.18 0.286 0.692 0.297 1.012     259.727     250.000       6.573    0 
+    270000       54000.00      26.331     -49.343     -23.012   4.89 0.214 0.786 0.334 1.352     238.890     250.000       6.673    0 
+    280000       56000.00      20.639     -57.677     -37.039   5.36 0.214 0.824 0.414 1.631     187.247     250.000       6.407    0 
+    290000       58000.00      25.196     -48.130     -22.934   4.49 0.429 0.571 0.256 0.947     228.589     250.000       6.771    0 
+    300000       60000.00      23.190     -52.209     -29.019   4.28 0.500 0.500 0.279 1.821     210.394     250.000       6.859    0 
+    310000       62000.00      26.226     -47.246     -21.021   5.25 0.286 0.556 0.247 1.826     237.934     250.000       6.556    0 
+    320000       64000.00      24.155     -54.393     -30.238   4.31 0.286 0.750 0.307 1.188     219.144     250.000       6.574    0 
+    330000       66000.00      24.844     -58.698     -33.854   5.12 0.214 0.800 0.285 1.289     225.398     250.000       6.597    0 
+    340000       68000.00      23.048     -54.865     -31.817   4.34 0.143 0.833 0.352 1.282     209.103     250.000       6.579    0 
+    350000       70000.00      16.822     -51.434     -34.612   4.53 0.286 0.692 0.343 0.587     152.616     250.000       6.858    0 
+    360000       72000.00      18.996     -52.792     -33.796   4.09 0.286 0.667 0.284 1.778     172.343     250.000       6.792    0 
+    370000       74000.00      23.858     -45.786     -21.928   5.11 0.143 0.846 0.248 2.692     216.449     250.000       6.742    0 
+    380000       76000.00      28.908     -56.890     -27.982   4.64 0.214 0.786 0.312 1.493     262.269     250.000       6.699    0 
+    390000       78000.00      25.321     -55.885     -30.565   4.37 0.286 0.750 0.344 1.847     229.721     250.000       6.917    0 
+    400000       80000.00      27.887     -53.964     -26.078   4.69 0.143 0.875 0.290 0.964     253.003     250.000       6.602    0 
+    410000       82000.00      28.793     -28.785       0.007   4.68 0.357 0.444 0.192 1.592     261.222     270.000       7.663    0 
+    420000       84000.00      27.958     -40.523     -12.565   3.96 0.357 0.545 0.256 1.453     253.649     270.000       7.076    0 
+    430000       86000.00      21.669     -43.745     -22.076   4.16 0.214 0.727 0.306 1.725     196.593     270.000       6.859    0 
+    440000       88000.00      31.673     -50.591     -18.917   4.70 0.214 0.842 0.330 2.567     287.358     270.000       6.495    0 
+    450000       90000.00      31.590     -38.510      -6.920   3.72 0.214 0.727 0.236 1.745     286.604     270.000       7.350    0 
+    460000       92000.00      25.294     -50.552     -25.258   2.21 0.429 0.250 0.250 1.956     229.480     270.000       6.743    0 
+    470000       94000.00      26.116     -46.295     -20.179   4.85 0.286 0.556 0.187 0.828     236.939     270.000       8.008    0 
+    480000       96000.00      30.187     -51.128     -20.941   5.87 0.357 0.667 0.230 1.596     273.871     270.000       7.585    0 
+    490000       98000.00      19.496     -47.233     -27.737   5.06 0.286 0.692 0.294 1.768     176.877     270.000       6.940    0 
+    500000      100000.00      22.737     -33.931     -11.194   3.36 0.214 0.786 0.354 1.531     206.279     270.000       6.682    0 
+    510000      102000.00      22.163     -22.531      -0.368   6.25 0.214 0.500 0.167 1.815     201.074     290.000       8.705    0 
+    520000      104000.00      26.957     -35.265      -8.308   4.56 0.286 0.636 0.372 1.079     244.566     290.000       6.534    0 
+    530000      106000.00      31.231     -35.649      -4.418   3.75 0.143 0.800 0.245 2.734     283.344     290.000       7.445    0 
+    540000      108000.00      25.541     -35.150      -9.609   5.33 0.143 0.500 0.205 2.500     231.725     290.000       7.091    0 
+    550000      110000.00      32.027     -37.257      -5.230   5.44 0.143 0.846 0.301 0.632     290.569     290.000       6.838    0 
+    560000      112000.00      36.437     -24.020      12.416   3.48 0.286 0.556 0.202 1.268     330.572     290.000       7.483    0 
+    570000      114000.00      30.177     -34.749      -4.572   4.52 0.214 0.727 0.314 2.406     273.782     290.000       6.723    0 
+    580000      116000.00      24.205     -34.089      -9.884   5.41 0.143 0.800 0.223 2.466     219.600     290.000       7.774    0 
+    590000      118000.00      37.948     -32.553       5.395   6.11 0.214 0.700 0.218 1.548     344.283     290.000       7.410    0 
+    600000      120000.00      32.353     -26.638       5.715   7.31 0.214 0.700 0.209 1.787     293.523     290.000       7.458    0 
+    610000      122000.00      25.161     -25.394      -0.233   8.14 0.071 0.833 0.159 2.320     228.270     290.000       9.525    0 
+    620000      124000.00      25.347     -11.529      13.818   9.67 0.071 0.500 0.182 1.295     229.960     290.000      13.633    0 
+    630000      126000.00      29.937     -26.386       3.551   3.99 0.357 0.545 0.260 2.125     271.603     290.000       8.532    0 
+    640000      128000.00      26.709     -26.243       0.466   5.29 0.214 0.700 0.436 2.475     242.316     290.000       8.445    0 
+    650000      130000.00      28.225     -27.727       0.498   4.64 0.357 0.444 0.434 3.242     256.067     290.000       8.355    0 
+    660000      132000.00      32.636     -20.694      11.942   6.35 0.071 0.889 0.369 1.922     296.092     290.000       6.905    0 
+    670000      134000.00      26.726     -22.725       4.001   6.14 0.143 0.778 0.247 1.144     242.473     290.000       7.550    0 
+    680000      136000.00      29.615     -18.651      10.964   6.59 0.143 0.818 0.355 1.393     268.682     290.000       6.615    0 
+    690000      138000.00      30.459     -30.855      -0.397   4.54 0.071 0.800 0.309 1.564     276.339     290.000       7.475    0 
+    700000      140000.00      34.443     -28.836       5.607   4.45 0.143 0.750 0.250 1.692     312.486     290.000       7.599    0 
+    710000      142000.00      20.867     -30.998     -10.131   5.67 0.214 0.571 0.234 1.687     189.315     290.000       7.096    0 
+    720000      144000.00      31.498     -26.475       5.023   4.37 0.286 0.636 0.364 1.665     285.764     290.000       7.098    0 
+    730000      146000.00      31.210     -33.302      -2.092   4.16 0.214 0.700 0.250 2.250     283.152     290.000       7.426    0 
+    740000      148000.00      24.315     -25.543      -1.228   7.71 0.214 0.500 0.167 1.068     220.600     290.000       9.711    0 
+    750000      150000.00      30.750     -34.265      -3.514   4.40 0.286 0.500 0.182 0.889     278.982     290.000       8.403    0 
+    760000      152000.00      25.630     -26.511      -0.882   4.28 0.214 0.769 0.392 1.194     232.526     290.000       6.781    0 
+    770000      154000.00      23.752     -32.452      -8.701   6.52 0.143 0.750 0.170 1.000     215.488     290.000       8.671    0 
+    780000      156000.00      24.527     -29.356      -4.830   5.07 0.143 0.600 0.209 1.766     222.519     290.000       7.205    0 
+    790000      158000.00      26.831     -36.549      -9.718   5.59 0.357 0.643 0.282 1.984     243.424     290.000       6.973    0 
+    800000      160000.00      32.071     -26.555       5.516   5.47 0.214 0.727 0.388 2.010     290.963     290.000       7.373    0 
+    810000      162000.00      21.476     -27.358      -5.882   6.72 0.143 0.750 0.182 2.464     194.841     290.000      11.053    0 
+    820000      164000.00      28.302     -35.788      -7.486   4.40 0.357 0.444 0.187 1.336     256.766     290.000       7.740    0 
+    830000      166000.00      31.136     -22.992       8.144   4.00 0.357 0.444 0.278 1.097     282.482     290.000       7.045    0 
+    840000      168000.00      26.081     -28.295      -2.213   3.20 0.143 0.818 0.343 1.830     236.625     290.000       7.242    0 
+    850000      170000.00      31.286     -37.662      -6.376   3.38 0.429 0.571 0.312 1.742     283.845     290.000       6.817    0 
+    860000      172000.00      29.727     -33.493      -3.766   3.56 0.429 0.600 0.312 1.352     269.700     290.000       6.926    0 
+    870000      174000.00      30.274     -39.174      -8.900   3.77 0.286 0.500 0.409 1.517     274.661     290.000       7.275    0 
+    880000      176000.00      32.128     -27.984       4.144   2.71 0.286 0.429 0.214 1.345     291.478     290.000       7.113    0 
+    890000      178000.00      25.998     -39.253     -13.255   3.68 0.357 0.643 0.315 1.441     235.864     290.000       7.567    0 
+    900000      180000.00      29.490     -35.058      -5.567   4.25 0.357 0.583 0.284 1.896     267.550     290.000       7.312    0 
+    910000      182000.00      27.832     -36.696      -8.864   3.71 0.214 0.700 0.336 1.654     252.510     280.000       7.036    0 
+    920000      184000.00      22.944     -34.388     -11.443   5.98 0.286 0.556 0.177 0.940     208.162     280.000       7.942    0 
+    930000      186000.00      23.799     -35.282     -11.483   4.61 0.214 0.786 0.354 2.286     215.915     280.000       6.477    0 
+    940000      188000.00      30.548     -41.822     -11.274   3.34 0.214 0.727 0.285 0.815     277.143     280.000       6.567    0 
+    950000      190000.00      29.530     -32.786      -3.256   3.22 0.214 0.786 0.409 2.734     267.915     280.000       6.854    0 
+    960000      192000.00      28.083     -41.526     -13.443   3.24 0.214 0.700 0.300 1.499     254.784     280.000       6.448    0 
+    970000      194000.00      30.980     -42.226     -11.246   2.43 0.500 0.533 0.279 1.477     281.070     280.000       6.598    0 
+    980000      196000.00      33.068     -34.869      -1.801   3.00 0.286 0.692 0.280 1.799     300.010     280.000       7.131    0 
+    990000      198000.00      25.464     -28.671      -3.206   3.61 0.286 0.600 0.314 3.336     231.027     280.000       7.164    0 
+   1000000      200000.00      28.743     -32.893      -4.151   4.35 0.071 0.909 0.331 1.848     260.770     280.000       7.480    0 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB001.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB001.stat
index e1c4e6f..70abe2c 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB001.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB001.stat
@@ -1,101 +1,101 @@
-         0           0.00      26.645      21.380      48.025  12.87 0.000   NaN   NaN 0.938     241.734     250.000      15.552    1 
-     10000        2000.00      36.333     -46.450     -10.117   4.22 0.214 0.769 0.273 1.612     329.629     250.000       7.427    1 
-     20000        4000.00      23.513     -63.769     -40.256   2.89 0.429 0.600 0.264 1.769     213.319     250.000       6.483    1 
-     30000        6000.00      26.232     -68.580     -42.347   2.23 0.571 0.556 0.354 1.462     237.994     250.000       6.216    1 
-     40000        8000.00      22.685     -58.470     -35.785   2.44 0.571 0.600 0.352 2.234     205.810     250.000       6.607    1 
-     50000       10000.00      21.456     -66.827     -45.371   2.34 0.571 0.467 0.267 1.185     194.659     250.000       6.751    1 
-     60000       12000.00      26.905     -61.091     -34.186   2.08 0.429 0.538 0.262 1.834     244.095     250.000       6.637    1 
-     70000       14000.00      25.502     -58.005     -32.503   3.61 0.429 0.600 0.197 1.662     231.363     250.000       7.083    1 
-     80000       16000.00      23.116     -50.107     -26.991   3.26 0.214 0.667 0.177 1.765     209.723     250.000       7.920    1 
-     90000       18000.00      26.183     -69.101     -42.918   3.12 0.571 0.500 0.202 1.227     237.548     250.000       6.985    1 
-    100000       20000.00      23.570     -62.621     -39.051   2.56 0.500 0.500 0.208 1.224     213.840     250.000       6.805    1 
-    110000       22000.00      22.015     -73.064     -51.050   2.30 0.429 0.684 0.280 1.481     199.728     250.000       6.385    1 
-    120000       24000.00      24.638     -56.809     -32.171   2.02 0.357 0.583 0.277 1.546     223.525     250.000       6.597    1 
-    130000       26000.00      25.479     -63.427     -37.948   1.80 0.357 0.643 0.328 1.994     231.158     250.000       6.337    1 
-    140000       28000.00      22.881     -52.992     -30.111   2.43 0.429 0.667 0.306 1.421     207.585     250.000       6.355    1 
-    150000       30000.00      24.023     -52.578     -28.555   3.71 0.214 0.750 0.197 2.463     217.950     250.000       7.483    1 
-    160000       32000.00      26.380     -66.240     -39.861   1.89 0.500 0.500 0.221 1.483     239.329     250.000       6.390    1 
-    170000       34000.00      27.055     -58.087     -31.033   1.99 0.429 0.571 0.237 1.991     245.455     250.000       6.616    1 
-    180000       36000.00      28.158     -53.022     -24.864   1.72 0.429 0.600 0.309 2.290     255.461     250.000       6.584    1 
-    190000       38000.00      22.221     -64.412     -42.191   2.37 0.429 0.647 0.291 1.338     201.604     250.000       6.438    1 
-    200000       40000.00      26.617     -54.535     -27.918   3.02 0.214 0.700 0.227 1.974     241.487     250.000       6.820    1 
-    210000       42000.00      25.815     -43.388     -17.574   5.77 0.286 0.733 0.200 2.284     234.205     280.000       6.966    1 
-    220000       44000.00      26.229     -50.851     -24.622   2.36 0.500 0.417 0.269 0.950     237.964     280.000       6.735    1 
-    230000       46000.00      28.113     -49.346     -21.232   1.92 0.643 0.400 0.303 0.974     255.058     280.000       6.570    1 
-    240000       48000.00      22.045     -42.730     -20.685   5.65 0.214 0.786 0.256 1.085     200.008     280.000       7.101    1 
-    250000       50000.00      23.199     -50.900     -27.701   6.58 0.071 0.889 0.237 1.080     210.478     280.000       7.069    1 
-    260000       52000.00      28.530     -49.270     -20.741   6.47 0.286 0.750 0.247 1.137     258.836     280.000       6.931    1 
-    270000       54000.00      28.448     -50.586     -22.138   5.56 0.286 0.733 0.345 0.860     258.095     280.000       6.695    1 
-    280000       56000.00      27.471     -52.787     -25.316   5.03 0.214 0.727 0.285 2.036     249.231     280.000       6.830    1 
-    290000       58000.00      35.057     -42.462      -7.405   5.28 0.357 0.615 0.248 1.194     318.056     280.000       6.514    1 
-    300000       60000.00      20.004     -50.687     -30.683   4.92 0.357 0.643 0.269 1.232     181.485     280.000       6.653    1 
-    310000       62000.00      33.730     -25.268       8.462   4.66 0.143 0.778 0.273 1.487     306.018     300.000       7.108    1 
-    320000       64000.00      28.211     -42.117     -13.907   5.00 0.214 0.800 0.297 1.396     255.940     300.000       6.404    1 
-    330000       66000.00      30.372     -35.469      -5.098   5.11 0.071 0.909 0.376 1.415     275.548     300.000       7.198    1 
-    340000       68000.00      33.812     -27.841       5.971   5.68 0.143 0.778 0.313 1.744     306.760     300.000       7.159    1 
-    350000       70000.00      27.284     -41.192     -13.908   5.21 0.214 0.769 0.308 1.435     247.534     300.000       6.868    1 
-    360000       72000.00      32.077     -45.402     -13.325   4.64 0.143 0.867 0.333 0.870     291.023     300.000       6.558    1 
-    370000       74000.00      28.510     -36.413      -7.902   5.56 0.214 0.571 0.390 1.661     258.661     300.000       7.504    1 
-    380000       76000.00      23.784     -34.924     -11.140   4.86 0.143 0.833 0.292 1.408     215.784     300.000       6.979    1 
-    390000       78000.00      27.996     -35.651      -7.655   6.13 0.286 0.556 0.247 2.336     253.999     300.000       7.672    1 
-    400000       80000.00      30.976     -43.431     -12.456   6.71 0.357 0.667 0.248 1.591     281.026     300.000       6.713    1 
-    410000       82000.00      28.101     -29.323      -1.222   5.82 0.143 0.800 0.332 1.738     254.946     300.000       6.661    1 
-    420000       84000.00      38.866     -45.097      -6.232   5.42 0.214 0.667 0.318 1.196     352.609     300.000       6.920    1 
-    430000       86000.00      25.645     -34.258      -8.613   5.25 0.357 0.545 0.223 1.000     232.663     300.000       7.136    1 
-    440000       88000.00      34.629     -22.382      12.247   6.96 0.071 0.833 0.189 1.599     314.171     300.000       8.477    1 
-    450000       90000.00      25.305     -38.868     -13.563   5.12 0.071 0.857 0.266 1.182     229.582     300.000       7.291    1 
-    460000       92000.00      27.771     -47.758     -19.987   5.18 0.286 0.667 0.311 1.487     251.949     300.000       6.766    1 
-    470000       94000.00      28.056     -23.633       4.423   5.10 0.143 0.800 0.318 2.132     254.541     300.000       7.437    1 
-    480000       96000.00      32.926     -35.691      -2.765   5.23 0.143 0.833 0.360 2.500     298.725     300.000       6.557    1 
-    490000       98000.00      26.001     -31.909      -5.908   5.26 0.214 0.625 0.358 2.500     235.894     300.000       8.078    1 
-    500000      100000.00      29.688     -45.878     -16.191   5.03 0.286 0.636 0.380 1.250     269.341     300.000       7.082    1 
-    510000      102000.00      25.181     -26.568      -1.387   5.91 0.214 0.667 0.263 1.476     228.454     300.000       7.327    1 
-    520000      104000.00      29.021     -43.657     -14.635   4.75 0.214 0.786 0.390 2.415     263.298     300.000       6.561    1 
-    530000      106000.00      29.607     -33.831      -4.224   4.98 0.214 0.750 0.417 1.578     268.614     300.000       7.368    1 
-    540000      108000.00      28.829     -25.584       3.245   5.18 0.143 0.667 0.167 1.723     261.555     300.000       8.699    1 
-    550000      110000.00      32.189     -38.889      -6.700   4.47 0.143 0.600 0.155 1.784     292.036     300.000       8.257    1 
-    560000      112000.00      32.243     -35.576      -3.333   3.14 0.357 0.444 0.308 1.376     292.527     300.000       6.403    1 
-    570000      114000.00      24.678     -40.905     -16.227   3.30 0.357 0.500 0.214 0.927     223.893     300.000       6.688    1 
-    580000      116000.00      32.064     -32.880      -0.816   6.40 0.071 0.875 0.267 1.862     290.898     300.000       7.092    1 
-    590000      118000.00      23.356     -35.390     -12.034   6.25 0.071 0.875 0.318 1.694     211.900     300.000       6.855    1 
-    600000      120000.00      32.217     -31.459       0.758   6.10 0.286 0.667 0.284 1.062     292.285     300.000       7.077    1 
-    610000      122000.00      30.650     -46.680     -16.030   4.30 0.429 0.625 0.321 1.228     278.069     300.000       7.003    1 
-    620000      124000.00      26.938     -36.257      -9.320   4.52 0.214 0.833 0.359 2.247     244.393     300.000       6.707    1 
-    630000      126000.00      30.888     -37.969      -7.082   2.79 0.429 0.500 0.205 1.062     280.230     300.000       6.848    1 
-    640000      128000.00      24.064     -39.826     -15.762   1.87 0.643 0.500 0.290 1.545     218.320     300.000       6.559    1 
-    650000      130000.00      33.227     -42.900      -9.673   2.37 0.571 0.529 0.291 2.137     301.455     300.000       6.603    1 
-    660000      132000.00      38.330     -43.651      -5.321   2.82 0.357 0.688 0.366 1.436     347.748     300.000       6.555    1 
-    670000      134000.00      30.053     -35.178      -5.125   3.37 0.286 0.636 0.260 1.843     272.659     300.000       6.689    1 
-    680000      136000.00      24.487     -47.029     -22.541   3.20 0.357 0.615 0.395 0.825     222.163     300.000       6.775    1 
-    690000      138000.00      26.730     -47.866     -21.136   2.99 0.429 0.571 0.351 1.175     242.513     300.000       6.740    1 
-    700000      140000.00      40.517     -36.584       3.933   2.63 0.571 0.333 0.227 0.879     367.593     300.000       7.096    1 
-    710000      142000.00      26.766     -41.877     -15.111   2.66 0.357 0.583 0.326 0.986     242.836     300.000       6.617    1 
-    720000      144000.00      23.317     -48.448     -25.132   4.04 0.214 0.750 0.330 1.112     211.540     300.000       6.745    1 
-    730000      146000.00      27.372     -30.802      -3.430   4.71 0.214 0.727 0.281 2.098     248.333     300.000       7.410    1 
-    740000      148000.00      28.671     -33.029      -4.358   3.25 0.143 0.714 0.273 1.311     260.119     300.000       7.628    1 
-    750000      150000.00      27.175     -34.909      -7.735   4.12 0.214 0.769 0.346 1.391     246.543     300.000       6.491    1 
-    760000      152000.00      27.527     -33.672      -6.145   2.65 0.357 0.545 0.302 2.797     249.736     300.000       6.986    1 
-    770000      154000.00      34.435     -43.080      -8.645   1.99 0.357 0.643 0.351 0.595     312.409     300.000       7.039    1 
-    780000      156000.00      34.176     -27.595       6.581   2.70 0.143 0.714 0.214 0.110     310.066     300.000       7.419    1 
-    790000      158000.00      29.994     -34.114      -4.120   5.05 0.214 0.700 0.245 1.314     272.120     300.000       7.869    1 
-    800000      160000.00      35.192     -36.024      -0.832   3.50 0.357 0.583 0.288 1.598     319.276     300.000       6.986    1 
-    810000      162000.00      29.293     -27.316       1.976   4.01 0.071 0.875 0.460 1.533     265.758     320.000       7.222    1 
-    820000      164000.00      30.215     -34.176      -3.961   3.47 0.214 0.571 0.331 1.037     274.125     320.000       8.039    1 
-    830000      166000.00      28.985     -32.395      -3.410   6.65 0.214 0.700 0.214 1.816     262.970     320.000       8.059    1 
-    840000      168000.00      30.473     -24.466       6.006   7.01 0.071 0.800 0.273 1.694     276.463     320.000       7.350    1 
-    850000      170000.00      37.191     -22.650      14.541   6.73 0.071 0.909 0.281 1.899     337.420     320.000       7.084    1 
-    860000      172000.00      35.481     -18.633      16.848   4.51 0.143 0.750 0.392 2.340     321.900     320.000       8.053    1 
-    870000      174000.00      24.997     -14.665      10.332   5.21 0.143 0.500 0.182 1.902     226.782     320.000       8.786    1 
-    880000      176000.00      39.651     -16.256      23.395   5.29 0.214 0.667 0.434 1.355     359.736     320.000       6.800    1 
-    890000      178000.00      34.894     -22.118      12.776   4.66 0.214 0.625 0.517 1.649     316.580     320.000       7.573    1 
-    900000      180000.00      35.381     -34.156       1.225   5.60 0.071 0.889 0.348 1.858     320.997     320.000       7.456    1 
-    910000      182000.00      26.082     -25.256       0.826   5.02 0.143 0.750 0.273 1.589     236.628     340.000       7.390    1 
-    920000      184000.00      31.947     -35.000      -3.053   5.87 0.143 0.818 0.355 1.050     289.838     340.000       6.991    1 
-    930000      186000.00      28.071     -14.182      13.889   4.09 0.286 0.500 0.324 1.991     254.676     340.000       8.516    1 
-    940000      188000.00      29.815     -15.308      14.507   5.45 0.000 1.000 0.136 1.692     270.496     340.000       8.265    1 
-    950000      190000.00      27.025     -18.154       8.871   7.26 0.214 0.571 0.260 2.602     245.186     340.000      10.147    1 
-    960000      192000.00      41.698     -23.382      18.316   5.73 0.214 0.667 0.192 1.175     378.308     340.000       8.107    1 
-    970000      194000.00      31.705     -22.133       9.571   5.99 0.071 0.857 0.416 1.247     287.641     340.000       8.256    1 
-    980000      196000.00      34.682     -10.981      23.701  10.27 0.000   NaN   NaN 1.024     314.654     340.000      13.664    1 
-    990000      198000.00      33.531     -18.364      15.167   5.40 0.214 0.667 0.444 2.493     304.210     340.000       7.706    1 
-   1000000      200000.00      22.430     -26.617      -4.187   6.84 0.143 0.667 0.364 0.550     203.492     340.000       7.356    1 
+         0           0.00      25.334      24.996      50.330  12.87 0.000   NaN   NaN 0.711     229.847     250.000      15.552    1 
+     10000        2000.00      20.626     -48.913     -28.287   5.32 0.357 0.643 0.334 1.123     187.132     250.000       7.143    1 
+     20000        4000.00      27.454     -53.613     -26.159   4.39 0.286 0.714 0.295 2.515     249.076     250.000       6.868    1 
+     30000        6000.00      27.165     -46.888     -19.723   4.75 0.357 0.706 0.324 1.953     246.457     250.000       6.540    1 
+     40000        8000.00      23.703     -43.498     -19.795   4.75 0.214 0.727 0.302 1.815     215.046     250.000       7.249    1 
+     50000       10000.00      23.519     -53.018     -29.499   4.88 0.357 0.615 0.364 1.462     213.373     250.000       6.797    1 
+     60000       12000.00      27.442     -48.825     -21.383   4.13 0.214 0.700 0.241 1.374     248.970     250.000       6.972    1 
+     70000       14000.00      23.869     -55.933     -32.064   6.01 0.214 0.824 0.286 1.522     216.553     250.000       6.609    1 
+     80000       16000.00      21.812     -49.792     -27.980   4.18 0.214 0.769 0.371 0.822     197.889     250.000       6.471    1 
+     90000       18000.00      20.465     -52.083     -31.617   4.25 0.286 0.714 0.347 1.207     185.671     250.000       6.697    1 
+    100000       20000.00      22.949     -48.248     -25.299   4.64 0.214 0.667 0.268 1.838     208.203     250.000       6.857    1 
+    110000       22000.00      24.176     -35.998     -11.822   5.51 0.286 0.667 0.269 1.282     219.340     270.000       7.148    1 
+    120000       24000.00      30.320     -46.608     -16.287   4.87 0.286 0.667 0.231 1.188     275.083     270.000       7.177    1 
+    130000       26000.00      28.446     -34.505      -6.059   5.16 0.357 0.444 0.379 0.821     258.073     270.000       6.871    1 
+    140000       28000.00      28.031     -40.287     -12.256   6.25 0.214 0.750 0.269 0.793     254.312     270.000       7.510    1 
+    150000       30000.00      31.048     -39.508      -8.460   5.00 0.214 0.700 0.268 2.294     281.684     270.000       7.411    1 
+    160000       32000.00      20.700     -49.485     -28.785   4.47 0.357 0.643 0.286 0.870     187.802     270.000       6.665    1 
+    170000       34000.00      30.190     -42.842     -12.652   6.95 0.214 0.769 0.255 1.588     273.901     270.000       7.552    1 
+    180000       36000.00      23.419     -50.563     -27.144   4.92 0.286 0.600 0.264 1.662     212.470     270.000       6.747    1 
+    190000       38000.00      34.581     -49.595     -15.014   5.15 0.214 0.727 0.289 1.034     313.734     270.000       7.025    1 
+    200000       40000.00      21.062     -37.172     -16.110   5.21 0.214 0.727 0.351 1.375     191.088     270.000       6.918    1 
+    210000       42000.00      29.135     -30.778      -1.643   5.81 0.214 0.769 0.273 1.717     264.326     280.000       7.605    1 
+    220000       44000.00      22.698     -32.110      -9.412   4.70 0.143 0.667 0.341 1.268     205.928     280.000       7.580    1 
+    230000       46000.00      29.943     -32.224      -2.282   6.27 0.214 0.786 0.279 2.958     271.655     280.000       7.153    1 
+    240000       48000.00      32.351     -32.611      -0.260   2.48 0.429 0.455 0.219 2.238     293.501     280.000       7.252    1 
+    250000       50000.00      24.038     -32.945      -8.907   7.27 0.214 0.571 0.182 1.033     218.085     280.000       8.222    1 
+    260000       52000.00      24.897     -19.166       5.731   7.24 0.286 0.556 0.222 2.034     225.877     280.000       7.697    1 
+    270000       54000.00      25.458     -38.085     -12.627   6.06 0.214 0.727 0.223 1.611     230.972     280.000       7.219    1 
+    280000       56000.00      28.269     -49.629     -21.360   6.91 0.214 0.800 0.276 1.402     256.473     280.000       7.137    1 
+    290000       58000.00      29.523     -34.988      -5.465   6.81 0.286 0.556 0.197 1.764     267.848     280.000       8.097    1 
+    300000       60000.00      24.422     -38.530     -14.108   6.91 0.286 0.750 0.247 1.406     221.569     280.000       6.868    1 
+    310000       62000.00      24.867     -27.346      -2.479   6.62 0.286 0.429 0.162 2.024     225.605     270.000       9.409    1 
+    320000       64000.00      20.584     -31.468     -10.884   4.12 0.214 0.750 0.311 1.938     186.749     270.000       7.770    1 
+    330000       66000.00      22.844     -41.476     -18.633   8.21 0.214 0.400 0.155 1.262     207.249     270.000      11.120    1 
+    340000       68000.00      28.824     -37.176      -8.353   5.10 0.214 0.571 0.208 1.257     261.503     270.000       8.337    1 
+    350000       70000.00      28.604     -40.312     -11.708   1.97 0.500 0.462 0.304 1.261     259.515     270.000       6.511    1 
+    360000       72000.00      27.841     -30.030      -2.189   7.24 0.214 0.500 0.159 2.737     252.588     270.000      10.057    1 
+    370000       74000.00      31.152     -27.186       3.966   6.14 0.143 0.500 0.148 1.982     282.625     270.000       9.696    1 
+    380000       76000.00      30.690     -35.805      -5.115   5.30 0.214 0.727 0.273 1.645     278.436     270.000       6.881    1 
+    390000       78000.00      25.314     -36.168     -10.854   4.96 0.286 0.600 0.232 1.680     229.662     270.000       7.479    1 
+    400000       80000.00      22.827     -44.293     -21.466   4.08 0.429 0.667 0.303 2.709     207.101     270.000       6.488    1 
+    410000       82000.00      23.057     -47.013     -23.956   3.73 0.286 0.714 0.347 1.009     209.182     260.000       7.020    1 
+    420000       84000.00      28.403     -46.069     -17.665   5.11 0.286 0.733 0.327 1.206     257.691     260.000       6.584    1 
+    430000       86000.00      29.240     -52.412     -23.171   3.69 0.214 0.769 0.336 1.248     265.284     260.000       7.012    1 
+    440000       88000.00      28.868     -45.125     -16.257   4.19 0.214 0.750 0.345 2.543     261.910     260.000       6.879    1 
+    450000       90000.00      21.427     -52.024     -30.597   5.71 0.143 0.857 0.240 0.853     194.399     260.000       8.717    1 
+    460000       92000.00      27.298     -41.645     -14.347   5.87 0.143 0.667 0.182 1.780     247.662     260.000       8.344    1 
+    470000       94000.00      29.446     -48.178     -18.732   4.53 0.286 0.733 0.258 1.571     267.151     260.000       7.020    1 
+    480000       96000.00      24.942     -45.198     -20.257   3.53 0.286 0.636 0.223 1.747     226.285     260.000       7.461    1 
+    490000       98000.00      25.721     -49.522     -23.802   2.50 0.143 0.818 0.256 1.650     233.352     260.000       7.001    1 
+    500000      100000.00      23.541     -46.287     -22.747   3.42 0.286 0.667 0.246 2.180     213.573     260.000       7.458    1 
+    510000      102000.00      32.979     -50.226     -17.247   3.03 0.429 0.333 0.288 2.030     299.201     260.000       7.147    1 
+    520000      104000.00      20.317     -57.770     -37.453   2.88 0.429 0.571 0.286 0.783     184.325     260.000       6.490    1 
+    530000      106000.00      29.888     -48.533     -18.645   4.33 0.214 0.700 0.318 2.832     271.155     260.000       7.334    1 
+    540000      108000.00      30.165     -46.077     -15.912   3.28 0.286 0.692 0.294 2.312     273.669     260.000       7.027    1 
+    550000      110000.00      28.299     -57.490     -29.192   2.72 0.500 0.650 0.327 0.871     256.739     260.000       7.045    1 
+    560000      112000.00      24.028     -43.889     -19.861   2.87 0.143 0.833 0.288 0.296     217.991     260.000       6.876    1 
+    570000      114000.00      29.976     -52.569     -22.593   2.76 0.214 0.727 0.289 1.634     271.957     260.000       6.969    1 
+    580000      116000.00      22.520     -48.285     -25.765   3.29 0.143 0.846 0.203 1.205     204.317     260.000       6.881    1 
+    590000      118000.00      26.276     -52.864     -26.588   2.85 0.357 0.688 0.239 1.291     238.391     260.000       6.960    1 
+    600000      120000.00      28.945     -57.405     -28.460   2.94 0.357 0.615 0.287 1.077     262.607     260.000       7.106    1 
+    610000      122000.00      21.831     -60.090     -38.259   2.80 0.286 0.692 0.266 0.806     198.064     250.000       6.714    1 
+    620000      124000.00      20.940     -46.850     -25.909   3.41 0.286 0.778 0.323 1.199     189.982     250.000       6.837    1 
+    630000      126000.00      19.751     -60.196     -40.446   3.30 0.357 0.667 0.261 1.227     179.187     250.000       7.127    1 
+    640000      128000.00      21.803     -56.824     -35.021   3.01 0.500 0.611 0.290 2.669     197.807     250.000       6.437    1 
+    650000      130000.00      24.500     -61.570     -37.070   2.92 0.500 0.588 0.278 1.769     222.273     250.000       6.927    1 
+    660000      132000.00      29.579     -66.928     -37.349   2.64 0.500 0.533 0.258 0.762     268.358     250.000       6.593    1 
+    670000      134000.00      28.871     -58.833     -29.963   2.67 0.357 0.737 0.292 1.223     261.930     250.000       6.540    1 
+    680000      136000.00      24.381     -53.629     -29.248   3.58 0.143 0.800 0.227 2.140     221.199     250.000       6.840    1 
+    690000      138000.00      22.525     -58.074     -35.549   4.55 0.214 0.727 0.277 1.023     204.360     250.000       7.055    1 
+    700000      140000.00      29.452     -53.195     -23.743   4.49 0.357 0.643 0.260 1.702     267.208     250.000       7.250    1 
+    710000      142000.00      20.289     -59.770     -39.480   4.43 0.286 0.750 0.284 1.745     184.074     270.000       6.808    1 
+    720000      144000.00      31.680     -47.548     -15.868   4.83 0.286 0.733 0.227 1.302     287.419     270.000       7.202    1 
+    730000      146000.00      28.414     -50.241     -21.827   4.22 0.071 0.917 0.261 1.852     257.788     270.000       6.617    1 
+    740000      148000.00      27.774     -40.034     -12.260   4.65 0.357 0.643 0.221 2.392     251.983     270.000       7.034    1 
+    750000      150000.00      25.985     -48.865     -22.880   4.26 0.143 0.778 0.268 1.117     235.754     270.000       7.463    1 
+    760000      152000.00      33.322     -51.084     -17.762   4.56 0.286 0.692 0.206 0.982     302.316     270.000       7.098    1 
+    770000      154000.00      30.302     -51.174     -20.872   4.30 0.214 0.800 0.282 2.031     274.917     270.000       6.976    1 
+    780000      156000.00      30.123     -43.571     -13.448   4.27 0.357 0.643 0.308 1.537     273.293     270.000       7.151    1 
+    790000      158000.00      20.368     -47.049     -26.681   4.38 0.214 0.667 0.227 1.489     184.788     270.000       7.302    1 
+    800000      160000.00      35.974     -44.719      -8.745   4.39 0.071 0.923 0.238 0.556     326.372     270.000       7.106    1 
+    810000      162000.00      27.298     -59.726     -32.428   4.42 0.214 0.824 0.275 1.397     247.665     260.000       6.636    1 
+    820000      164000.00      27.918     -49.064     -21.146   4.42 0.143 0.778 0.207 1.279     253.283     260.000       7.111    1 
+    830000      166000.00      27.104     -48.146     -21.042   4.19 0.000 1.000 0.309 1.829     245.900     260.000       6.793    1 
+    840000      168000.00      24.217     -44.518     -20.301   4.85 0.286 0.692 0.220 1.683     219.708     260.000       7.280    1 
+    850000      170000.00      26.060     -57.195     -31.135   4.66 0.143 0.857 0.237 2.433     236.430     260.000       6.978    1 
+    860000      172000.00      21.506     -55.673     -34.167   4.28 0.214 0.750 0.250 1.766     195.113     260.000       6.746    1 
+    870000      174000.00      17.480     -62.739     -45.258   4.03 0.286 0.765 0.340 2.564     158.590     260.000       6.759    1 
+    880000      176000.00      29.798     -51.253     -21.455   4.20 0.214 0.786 0.234 1.215     270.338     260.000       7.099    1 
+    890000      178000.00      25.225     -46.880     -21.656   4.91 0.286 0.692 0.238 1.280     228.850     260.000       7.172    1 
+    900000      180000.00      21.505     -54.087     -32.582   4.49 0.214 0.625 0.227 1.511     195.107     260.000       7.265    1 
+    910000      182000.00      25.939     -62.808     -36.869   4.94 0.143 0.857 0.253 1.955     235.329     250.000       7.020    1 
+    920000      184000.00      30.492     -43.495     -13.003   4.65 0.143 0.846 0.315 2.967     276.638     250.000       7.224    1 
+    930000      186000.00      24.167     -65.073     -40.906   4.61 0.214 0.824 0.267 2.331     219.257     250.000       6.908    1 
+    940000      188000.00      27.008     -61.184     -34.177   4.44 0.143 0.846 0.280 1.184     245.027     250.000       6.924    1 
+    950000      190000.00      20.844     -63.788     -42.944   4.44 0.143 0.833 0.216 1.346     189.110     250.000       6.993    1 
+    960000      192000.00      20.578     -62.211     -41.632   4.88 0.143 0.846 0.266 1.530     186.698     250.000       6.950    1 
+    970000      194000.00      19.549     -56.596     -37.047   4.68 0.286 0.692 0.231 2.326     177.358     250.000       7.135    1 
+    980000      196000.00      25.996     -59.908     -33.913   4.49 0.286 0.714 0.231 0.656     235.845     250.000       7.008    1 
+    990000      198000.00      31.599     -51.843     -20.244   4.31 0.143 0.818 0.256 1.853     286.680     250.000       6.980    1 
+   1000000      200000.00      25.136     -63.091     -37.954   4.22 0.286 0.765 0.273 2.148     228.050     250.000       6.755    1 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB002.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB002.stat
index 45a7edc..56a5a47 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB002.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB002.stat
@@ -1,101 +1,101 @@
-         0           0.00      26.504      21.380      47.885  12.87 0.000   NaN   NaN 0.938     240.461     250.000      15.552    2 
-     10000        2000.00      21.241     -41.305     -20.064   4.27 0.143 0.800 0.345 2.059     192.710     250.000       7.300    2 
-     20000        4000.00      29.425     -39.970     -10.546   3.86 0.071 0.909 0.322 1.407     266.957     250.000       7.097    2 
-     30000        6000.00      26.112     -52.382     -26.270   3.88 0.286 0.667 0.261 0.750     236.900     250.000       6.605    2 
-     40000        8000.00      21.396     -50.595     -29.200   4.29 0.286 0.789 0.359 0.662     194.114     250.000       6.774    2 
-     50000       10000.00      25.990     -57.391     -31.401   4.36 0.286 0.750 0.310 1.031     235.795     250.000       6.553    2 
-     60000       12000.00      21.516     -58.674     -37.158   5.23 0.214 0.824 0.353 1.846     195.204     250.000       6.398    2 
-     70000       14000.00      16.916     -55.390     -38.474   4.95 0.143 0.846 0.350 1.316     153.470     250.000       6.797    2 
-     80000       16000.00      24.459     -51.767     -27.308   4.62 0.071 0.917 0.345 3.206     221.906     250.000       6.724    2 
-     90000       18000.00      19.616     -49.712     -30.095   4.25 0.143 0.833 0.432 1.461     177.967     250.000       6.980    2 
-    100000       20000.00      26.179     -48.507     -22.328   4.91 0.286 0.692 0.311 1.252     237.509     250.000       6.406    2 
-    110000       22000.00      19.908     -50.650     -30.742   4.74 0.286 0.810 0.377 2.457     180.614     260.000       6.180    2 
-    120000       24000.00      31.064     -36.006      -4.942   4.22 0.286 0.667 0.326 1.810     281.829     260.000       6.933    2 
-    130000       26000.00      25.982     -43.156     -17.175   5.59 0.214 0.750 0.402 1.247     235.718     260.000       6.981    2 
-    140000       28000.00      22.355     -51.608     -29.254   6.65 0.214 0.812 0.361 0.985     202.814     260.000       6.376    2 
-    150000       30000.00      25.166     -50.835     -25.668   5.48 0.286 0.667 0.333 1.982     228.322     260.000       6.643    2 
-    160000       32000.00      25.009     -43.591     -18.583   6.52 0.286 0.667 0.292 1.560     226.890     260.000       6.735    2 
-    170000       34000.00      23.652     -41.605     -17.952   5.83 0.214 0.700 0.386 1.844     214.587     260.000       7.154    2 
-    180000       36000.00      27.158     -46.780     -19.622   5.11 0.143 0.818 0.384 0.859     246.388     260.000       7.202    2 
-    190000       38000.00      26.663     -51.701     -25.038   6.93 0.357 0.722 0.280 1.581     241.900     260.000       6.740    2 
-    200000       40000.00      25.167     -46.007     -20.840   6.83 0.214 0.769 0.269 1.769     228.330     260.000       7.428    2 
-    210000       42000.00      26.231     -54.992     -28.761   7.05 0.286 0.714 0.334 1.445     237.978     260.000       6.831    2 
-    220000       44000.00      31.768     -53.086     -21.318   6.77 0.143 0.833 0.356 1.555     288.218     260.000       6.769    2 
-    230000       46000.00      36.917     -48.037     -11.121   6.86 0.143 0.800 0.405 0.865     334.927     260.000       6.810    2 
-    240000       48000.00      28.627     -43.087     -14.460   6.23 0.214 0.769 0.378 1.732     259.722     260.000       6.937    2 
-    250000       50000.00      21.077     -48.764     -27.687   6.61 0.143 0.800 0.323 0.851     191.222     260.000       6.786    2 
-    260000       52000.00      25.329     -46.436     -21.107   6.78 0.286 0.750 0.366 1.850     229.797     260.000       6.529    2 
-    270000       54000.00      25.116     -41.724     -16.608   5.95 0.143 0.818 0.289 1.269     227.866     260.000       6.747    2 
-    280000       56000.00      22.383     -46.040     -23.657   5.62 0.286 0.667 0.371 1.424     203.071     260.000       7.022    2 
-    290000       58000.00      26.010     -45.325     -19.316   5.29 0.286 0.750 0.344 1.374     235.973     260.000       6.890    2 
-    300000       60000.00      24.075     -49.252     -25.177   5.97 0.214 0.667 0.232 0.976     218.425     260.000       7.265    2 
-    310000       62000.00      24.543     -40.106     -15.562   6.20 0.357 0.643 0.325 2.330     222.670     260.000       6.568    2 
-    320000       64000.00      23.274     -43.716     -20.442   6.69 0.214 0.625 0.290 2.373     211.153     260.000       7.074    2 
-    330000       66000.00      24.049     -52.095     -28.046   6.15 0.286 0.600 0.309 0.789     218.183     260.000       6.661    2 
-    340000       68000.00      32.106     -56.923     -24.817   6.98 0.286 0.750 0.295 1.646     291.278     260.000       6.793    2 
-    350000       70000.00      23.198     -51.269     -28.071   7.01 0.143 0.846 0.339 0.895     210.466     260.000       6.761    2 
-    360000       72000.00      30.848     -44.834     -13.986   6.74 0.071 0.857 0.390 0.863     279.869     260.000       7.612    2 
-    370000       74000.00      26.679     -43.062     -16.384   5.95 0.214 0.750 0.379 2.384     242.042     260.000       6.638    2 
-    380000       76000.00      28.203     -50.850     -22.647   7.19 0.214 0.769 0.339 1.647     255.870     260.000       6.791    2 
-    390000       78000.00      26.156     -47.566     -21.410   6.22 0.286 0.750 0.310 1.805     237.301     260.000       6.729    2 
-    400000       80000.00      23.549     -47.645     -24.096   6.91 0.286 0.667 0.326 2.603     213.653     260.000       6.593    2 
-    410000       82000.00      28.517     -47.618     -19.101   6.38 0.286 0.692 0.294 1.129     258.717     260.000       6.659    2 
-    420000       84000.00      21.560     -49.657     -28.098   6.54 0.214 0.786 0.386 2.088     195.600     260.000       6.533    2 
-    430000       86000.00      22.487     -45.764     -23.277   7.11 0.214 0.750 0.292 2.658     204.015     260.000       6.954    2 
-    440000       88000.00      22.293     -43.033     -20.740   6.75 0.143 0.800 0.314 1.789     202.254     260.000       6.889    2 
-    450000       90000.00      28.064     -51.209     -23.146   6.06 0.214 0.769 0.353 1.484     254.609     260.000       6.541    2 
-    460000       92000.00      24.819     -46.535     -21.716   6.64 0.214 0.727 0.372 1.375     225.173     260.000       6.614    2 
-    470000       94000.00      25.306     -46.301     -20.995   5.54 0.143 0.846 0.322 1.864     229.586     260.000       6.813    2 
-    480000       96000.00      28.804     -45.682     -16.878   4.57 0.214 0.727 0.198 1.305     261.323     260.000       6.739    2 
-    490000       98000.00      24.858     -54.925     -30.067   3.81 0.143 0.800 0.223 2.323     225.522     260.000       6.868    2 
-    500000      100000.00      26.132     -47.228     -21.095   4.18 0.286 0.692 0.248 1.175     237.087     260.000       6.656    2 
-    510000      102000.00      21.847     -47.834     -25.987   4.19 0.286 0.667 0.337 1.397     198.208     260.000       6.520    2 
-    520000      104000.00      25.598     -53.242     -27.644   4.38 0.357 0.667 0.294 2.546     232.241     260.000       6.647    2 
-    530000      106000.00      22.008     -58.861     -36.853   5.67 0.143 0.846 0.301 1.890     199.671     260.000       6.502    2 
-    540000      108000.00      32.047     -52.765     -20.718   6.60 0.286 0.750 0.295 2.105     290.748     260.000       6.724    2 
-    550000      110000.00      29.159     -55.597     -26.438   5.18 0.214 0.769 0.259 2.168     264.547     260.000       6.729    2 
-    560000      112000.00      30.768     -52.164     -21.396   5.35 0.214 0.727 0.198 2.144     279.147     260.000       8.392    2 
-    570000      114000.00      24.225     -57.718     -33.493   4.37 0.357 0.667 0.255 2.641     219.782     260.000       7.391    2 
-    580000      116000.00      25.444     -59.713     -34.269   4.64 0.286 0.778 0.417 1.770     230.837     260.000       6.502    2 
-    590000      118000.00      23.494     -54.160     -30.666   5.12 0.500 0.533 0.288 1.529     213.149     260.000       6.390    2 
-    600000      120000.00      26.260     -57.522     -31.262   6.09 0.286 0.714 0.198 1.463     238.249     260.000       7.967    2 
-    610000      122000.00      21.677     -60.574     -38.897   4.02 0.357 0.615 0.189 1.540     196.666     260.000       7.103    2 
-    620000      124000.00      28.597     -61.130     -32.533   6.88 0.286 0.765 0.222 1.392     259.450     260.000       6.785    2 
-    630000      126000.00      29.467     -63.174     -33.707   4.43 0.429 0.625 0.293 2.194     267.337     260.000       6.305    2 
-    640000      128000.00      26.868     -48.172     -21.304   4.28 0.286 0.667 0.208 1.968     243.758     260.000       6.880    2 
-    650000      130000.00      26.960     -59.072     -32.112   6.07 0.286 0.714 0.263 2.139     244.598     260.000       6.571    2 
-    660000      132000.00      30.167     -54.764     -24.597   6.82 0.286 0.714 0.227 2.265     273.693     260.000       7.483    2 
-    670000      134000.00      23.666     -65.322     -41.655   2.98 0.357 0.545 0.178 1.240     214.711     260.000       7.325    2 
-    680000      136000.00      24.616     -54.707     -30.091   6.53 0.286 0.692 0.231 1.846     223.329     260.000       6.873    2 
-    690000      138000.00      26.330     -63.934     -37.603   5.70 0.214 0.800 0.245 1.804     238.882     260.000       6.876    2 
-    700000      140000.00      25.147     -58.658     -33.510   5.36 0.286 0.778 0.247 0.930     228.149     260.000       6.903    2 
-    710000      142000.00      32.444     -46.305     -13.861   2.52 0.429 0.500 0.288 2.270     294.347     270.000       6.909    2 
-    720000      144000.00      28.729     -56.044     -27.315   3.01 0.214 0.625 0.290 1.380     260.644     270.000       7.126    2 
-    730000      146000.00      34.463     -53.714     -19.251   3.88 0.286 0.750 0.267 1.200     312.667     270.000       6.740    2 
-    740000      148000.00      30.612     -50.861     -20.248   6.40 0.357 0.583 0.189 2.673     277.731     270.000       7.641    2 
-    750000      150000.00      21.958     -54.791     -32.832   4.97 0.286 0.667 0.201 1.872     199.215     270.000       7.849    2 
-    760000      152000.00      25.806     -61.276     -35.470   5.47 0.214 0.824 0.243 1.583     234.126     270.000       6.625    2 
-    770000      154000.00      26.940     -49.599     -22.659   4.09 0.357 0.583 0.197 2.036     244.410     270.000       8.022    2 
-    780000      156000.00      21.074     -52.639     -31.564   2.57 0.286 0.714 0.273 1.128     191.196     270.000       6.483    2 
-    790000      158000.00      29.830     -54.204     -24.374   3.08 0.500 0.611 0.283 0.699     270.633     270.000       6.913    2 
-    800000      160000.00      20.375     -53.370     -32.996   4.97 0.214 0.750 0.223 1.725     184.848     270.000       7.222    2 
-    810000      162000.00      26.394     -64.837     -38.443   2.12 0.429 0.625 0.261 0.725     239.456     270.000       6.725    2 
-    820000      164000.00      25.485     -51.796     -26.311   4.72 0.286 0.733 0.224 3.055     231.209     270.000       7.442    2 
-    830000      166000.00      24.860     -53.185     -28.326   2.36 0.500 0.462 0.252 2.662     225.539     270.000       6.535    2 
-    840000      168000.00      22.307     -51.009     -28.702   2.72 0.500 0.562 0.378 2.591     202.385     270.000       6.271    2 
-    850000      170000.00      25.219     -52.757     -27.538   2.81 0.214 0.667 0.227 1.819     228.802     270.000       6.686    2 
-    860000      172000.00      24.616     -57.173     -32.557   2.38 0.357 0.615 0.353 1.571     223.328     270.000       6.568    2 
-    870000      174000.00      32.131     -55.668     -23.537   2.80 0.429 0.500 0.277 1.184     291.510     270.000       6.688    2 
-    880000      176000.00      27.612     -50.995     -23.383   3.25 0.357 0.737 0.388 1.009     250.514     270.000       6.338    2 
-    890000      178000.00      27.327     -55.129     -27.802   4.06 0.571 0.600 0.418 1.205     247.925     270.000       6.316    2 
-    900000      180000.00      30.066     -57.100     -27.035   3.93 0.214 0.824 0.374 1.874     272.771     270.000       6.447    2 
-    910000      182000.00      32.059     -38.466      -6.407   3.68 0.143 0.818 0.372 2.116     290.856     290.000       6.609    2 
-    920000      184000.00      27.268     -55.824     -28.556   2.85 0.500 0.632 0.347 2.516     247.388     290.000       6.676    2 
-    930000      186000.00      30.592     -43.707     -13.115   2.99 0.429 0.625 0.278 0.977     277.550     290.000       6.822    2 
-    940000      188000.00      28.693     -42.309     -13.615   4.08 0.214 0.750 0.379 2.130     260.322     290.000       6.806    2 
-    950000      190000.00      28.747     -41.229     -12.482   6.03 0.286 0.636 0.198 1.846     260.805     290.000       7.928    2 
-    960000      192000.00      30.091     -48.668     -18.577   2.21 0.357 0.688 0.321 3.325     273.001     290.000       6.637    2 
-    970000      194000.00      36.634     -45.622      -8.988   2.88 0.357 0.545 0.343 2.741     332.360     290.000       6.388    2 
-    980000      196000.00      36.493     -51.974     -15.481   2.20 0.286 0.714 0.289 1.432     331.080     290.000       6.647    2 
-    990000      198000.00      26.754     -51.114     -24.359   2.01 0.500 0.562 0.233 1.284     242.728     290.000       6.608    2 
-   1000000      200000.00      27.337     -49.477     -22.140   2.93 0.143 0.846 0.210 4.698     248.019     290.000       7.079    2 
+         0           0.00      28.985      24.992      53.977  12.87 0.000   NaN   NaN 0.710     262.966     260.000      15.552    2 
+     10000        2000.00      23.960     -37.610     -13.651   6.04 0.143 0.867 0.373 1.534     217.375     260.000       7.371    2 
+     20000        4000.00      32.712     -37.628      -4.916   5.88 0.214 0.700 0.418 1.385     296.777     260.000       7.144    2 
+     30000        6000.00      26.917     -30.827      -3.910   6.59 0.214 0.667 0.414 1.682     244.201     260.000       7.978    2 
+     40000        8000.00      26.506     -23.939       2.568   5.57 0.286 0.556 0.419 1.439     240.478     260.000       7.317    2 
+     50000       10000.00      30.893     -27.513       3.380   6.27 0.143 0.714 0.396 1.208     280.275     260.000       7.380    2 
+     60000       12000.00      27.778     -45.549     -17.771   5.63 0.143 0.857 0.360 1.585     252.021     260.000       6.863    2 
+     70000       14000.00      21.615     -53.510     -31.895   5.79 0.143 0.875 0.446 1.405     196.100     260.000       6.897    2 
+     80000       16000.00      33.580     -45.996     -12.416   4.95 0.214 0.786 0.403 1.026     304.651     260.000       6.967    2 
+     90000       18000.00      22.422     -49.792     -27.371   5.10 0.071 0.929 0.338 2.163     203.420     260.000       6.938    2 
+    100000       20000.00      31.050     -53.925     -22.875   5.23 0.286 0.733 0.376 0.972     281.698     260.000       7.112    2 
+    110000       22000.00      28.377     -63.997     -35.620   4.61 0.143 0.833 0.352 1.716     257.452     250.000       6.832    2 
+    120000       24000.00      30.679     -58.737     -28.058   4.80 0.286 0.765 0.353 1.074     278.332     250.000       6.595    2 
+    130000       26000.00      30.638     -54.665     -24.028   4.48 0.143 0.867 0.306 2.116     277.960     250.000       6.810    2 
+    140000       28000.00      22.945     -54.854     -31.909   4.82 0.214 0.786 0.302 1.780     208.166     250.000       6.672    2 
+    150000       30000.00      21.354     -58.653     -37.299   5.06 0.214 0.769 0.273 1.985     193.735     250.000       7.023    2 
+    160000       32000.00      27.227     -63.272     -36.044   5.01 0.214 0.812 0.295 1.017     247.020     250.000       6.984    2 
+    170000       34000.00      24.009     -68.881     -44.872   5.01 0.286 0.733 0.270 2.047     217.821     250.000       7.197    2 
+    180000       36000.00      22.251     -58.839     -36.589   5.29 0.143 0.846 0.269 1.610     201.869     250.000       6.919    2 
+    190000       38000.00      24.432     -55.939     -31.507   5.17 0.286 0.714 0.318 1.437     221.660     250.000       7.203    2 
+    200000       40000.00      24.842     -66.823     -41.981   4.93 0.143 0.889 0.311 2.152     225.383     250.000       6.868    2 
+    210000       42000.00      33.504     -63.899     -30.395   5.12 0.214 0.786 0.292 1.889     303.963     250.000       7.028    2 
+    220000       44000.00      30.945     -62.484     -31.538   5.06 0.143 0.875 0.298 1.333     280.751     250.000       6.936    2 
+    230000       46000.00      19.477     -54.772     -35.295   4.72 0.286 0.714 0.299 1.450     176.702     250.000       7.394    2 
+    240000       48000.00      25.152     -56.941     -31.789   5.02 0.143 0.818 0.314 0.987     228.192     250.000       7.048    2 
+    250000       50000.00      21.030     -63.678     -42.648   4.83 0.214 0.800 0.321 1.520     190.798     250.000       7.231    2 
+    260000       52000.00      21.251     -60.156     -38.905   5.12 0.143 0.882 0.326 2.431     192.802     250.000       6.937    2 
+    270000       54000.00      23.268     -53.766     -30.498   4.93 0.214 0.769 0.273 2.701     211.102     250.000       7.321    2 
+    280000       56000.00      19.988     -61.208     -41.220   4.95 0.214 0.786 0.273 1.279     181.343     250.000       7.012    2 
+    290000       58000.00      24.289     -56.081     -31.792   5.00 0.286 0.733 0.291 3.269     220.364     250.000       6.725    2 
+    300000       60000.00      21.004     -60.820     -39.816   5.02 0.143 0.818 0.302 1.682     190.561     250.000       7.387    2 
+    310000       62000.00      22.805     -64.907     -42.102   5.06 0.286 0.733 0.279 0.759     206.900     250.000       6.771    2 
+    320000       64000.00      22.769     -59.410     -36.641   4.65 0.429 0.625 0.244 1.015     206.570     250.000       6.934    2 
+    330000       66000.00      19.439     -67.564     -48.126   5.03 0.286 0.765 0.294 2.075     176.358     250.000       6.605    2 
+    340000       68000.00      26.569     -63.440     -36.871   4.90 0.071 0.923 0.294 2.141     241.043     250.000       6.752    2 
+    350000       70000.00      23.153     -63.840     -40.686   5.02 0.214 0.812 0.270 2.613     210.060     250.000       6.734    2 
+    360000       72000.00      25.881     -70.463     -44.582   4.64 0.286 0.778 0.356 1.127     234.807     250.000       6.678    2 
+    370000       74000.00      30.392     -60.952     -30.560   4.81 0.214 0.824 0.316 1.665     275.735     250.000       6.750    2 
+    380000       76000.00      25.024     -65.083     -40.059   4.84 0.143 0.846 0.280 1.992     227.033     250.000       6.633    2 
+    390000       78000.00      29.497     -61.756     -32.258   4.81 0.071 0.933 0.373 0.588     267.616     250.000       6.598    2 
+    400000       80000.00      24.373     -60.877     -36.504   4.91 0.500 0.611 0.275 1.554     221.124     250.000       7.027    2 
+    410000       82000.00      30.938     -61.790     -30.852   4.84 0.357 0.750 0.300 1.292     280.683     250.000       6.871    2 
+    420000       84000.00      27.933     -67.490     -39.558   4.94 0.000 1.000 0.352 0.934     253.420     250.000       6.542    2 
+    430000       86000.00      29.597     -64.764     -35.166   5.08 0.357 0.688 0.253 0.861     268.523     250.000       6.747    2 
+    440000       88000.00      23.653     -66.681     -43.029   4.80 0.357 0.706 0.275 1.720     214.592     250.000       6.858    2 
+    450000       90000.00      29.994     -59.306     -29.311   4.86 0.214 0.812 0.312 1.206     272.124     250.000       6.765    2 
+    460000       92000.00      28.299     -64.489     -36.190   4.84 0.143 0.857 0.289 1.990     256.748     250.000       6.740    2 
+    470000       94000.00      24.604     -65.105     -40.500   4.93 0.214 0.786 0.276 1.246     223.221     250.000       6.682    2 
+    480000       96000.00      21.134     -58.253     -37.119   4.58 0.286 0.692 0.290 1.673     191.736     250.000       7.041    2 
+    490000       98000.00      27.312     -63.104     -35.792   4.97 0.214 0.812 0.290 0.992     247.793     250.000       6.859    2 
+    500000      100000.00      28.081     -65.147     -37.066   5.05 0.357 0.583 0.220 1.321     254.767     250.000       6.941    2 
+    510000      102000.00      24.645     -57.366     -32.721   4.74 0.357 0.615 0.259 3.084     223.593     250.000       6.917    2 
+    520000      104000.00      23.673     -58.268     -34.594   4.79 0.286 0.750 0.276 1.094     214.777     250.000       6.630    2 
+    530000      106000.00      27.404     -63.908     -36.503   4.63 0.143 0.833 0.295 2.661     248.628     250.000       7.050    2 
+    540000      108000.00      22.184     -59.062     -36.878   4.90 0.214 0.800 0.288 1.541     201.265     250.000       7.017    2 
+    550000      110000.00      25.145     -62.803     -37.658   4.76 0.286 0.765 0.283 1.855     228.131     250.000       6.703    2 
+    560000      112000.00      24.296     -66.803     -42.507   4.84 0.143 0.867 0.312 3.075     220.429     250.000       6.672    2 
+    570000      114000.00      27.890     -59.013     -31.123   4.90 0.214 0.769 0.283 1.697     253.030     250.000       6.935    2 
+    580000      116000.00      25.940     -66.062     -40.122   4.97 0.071 0.923 0.315 1.201     235.343     250.000       6.828    2 
+    590000      118000.00      32.141     -66.661     -34.520   4.80 0.429 0.700 0.268 0.979     291.598     250.000       6.642    2 
+    600000      120000.00      29.261     -63.500     -34.239   5.06 0.143 0.875 0.315 2.301     265.474     250.000       6.925    2 
+    610000      122000.00      19.178     -61.902     -42.723   4.87 0.214 0.786 0.299 1.256     173.997     250.000       7.034    2 
+    620000      124000.00      20.653     -61.335     -40.681   4.70 0.429 0.647 0.254 1.418     187.379     250.000       6.964    2 
+    630000      126000.00      26.126     -65.836     -39.710   4.84 0.286 0.733 0.291 1.200     237.026     250.000       6.709    2 
+    640000      128000.00      25.469     -59.073     -33.604   4.64 0.286 0.765 0.299 1.642     231.065     250.000       6.586    2 
+    650000      130000.00      24.654     -64.830     -40.176   4.96 0.143 0.875 0.295 0.878     223.674     250.000       6.838    2 
+    660000      132000.00      26.874     -67.962     -41.089   4.87 0.357 0.667 0.264 1.978     243.811     250.000       6.690    2 
+    670000      134000.00      23.211     -62.763     -39.552   4.85 0.286 0.778 0.298 2.033     210.585     250.000       6.708    2 
+    680000      136000.00      23.383     -63.009     -39.626   4.64 0.214 0.800 0.282 2.350     212.146     250.000       6.780    2 
+    690000      138000.00      21.969     -57.780     -35.811   4.83 0.143 0.833 0.258 0.797     199.312     250.000       7.053    2 
+    700000      140000.00      25.260     -61.462     -36.203   4.93 0.286 0.733 0.267 1.676     229.168     250.000       6.800    2 
+    710000      142000.00      27.616     -69.225     -41.610   4.74 0.214 0.800 0.312 1.604     250.543     250.000       6.673    2 
+    720000      144000.00      18.851     -68.404     -49.552   4.88 0.214 0.786 0.295 0.900     171.030     250.000       6.773    2 
+    730000      146000.00      24.112     -71.158     -47.046   4.76 0.143 0.875 0.295 1.455     218.757     250.000       6.769    2 
+    740000      148000.00      24.136     -65.957     -41.821   5.03 0.286 0.714 0.292 1.717     218.971     250.000       6.768    2 
+    750000      150000.00      20.364     -65.460     -45.096   4.75 0.214 0.833 0.331 2.760     184.753     250.000       6.893    2 
+    760000      152000.00      20.677     -66.300     -45.622   4.98 0.357 0.688 0.293 1.601     187.594     250.000       6.530    2 
+    770000      154000.00      17.720     -61.911     -44.191   4.90 0.143 0.818 0.318 1.150     160.769     250.000       6.887    2 
+    780000      156000.00      26.663     -65.288     -38.625   4.88 0.143 0.857 0.292 1.019     241.904     250.000       6.903    2 
+    790000      158000.00      22.474     -63.782     -41.309   5.15 0.214 0.750 0.303 0.784     203.892     250.000       6.841    2 
+    800000      160000.00      25.165     -67.017     -41.852   4.85 0.286 0.765 0.278 1.686     228.306     250.000       6.639    2 
+    810000      162000.00      22.606     -65.205     -42.599   4.73 0.214 0.786 0.308 1.353     205.091     250.000       7.071    2 
+    820000      164000.00      29.029     -63.526     -34.497   4.88 0.286 0.765 0.316 2.220     263.364     250.000       6.731    2 
+    830000      166000.00      20.975     -52.582     -31.607   4.87 0.429 0.600 0.258 1.559     190.294     250.000       6.795    2 
+    840000      168000.00      24.994     -64.974     -39.980   4.89 0.143 0.846 0.297 1.633     226.756     250.000       6.770    2 
+    850000      170000.00      25.095     -59.943     -34.848   4.90 0.214 0.800 0.300 2.405     227.678     250.000       6.787    2 
+    860000      172000.00      20.865     -61.145     -40.280   4.65 0.214 0.812 0.281 2.471     189.300     250.000       6.796    2 
+    870000      174000.00      20.478     -59.110     -38.632   4.67 0.286 0.733 0.264 1.623     185.785     250.000       7.024    2 
+    880000      176000.00      21.405     -69.312     -47.907   4.91 0.143 0.857 0.266 2.048     194.195     250.000       6.844    2 
+    890000      178000.00      22.368     -68.431     -46.063   5.02 0.143 0.857 0.282 1.345     202.933     250.000       6.982    2 
+    900000      180000.00      27.501     -59.480     -31.979   4.93 0.357 0.688 0.301 1.065     249.505     250.000       6.962    2 
+    910000      182000.00      32.360     -53.904     -21.544   4.65 0.286 0.765 0.310 1.380     293.585     260.000       7.147    2 
+    920000      184000.00      23.163     -58.671     -35.508   4.82 0.286 0.714 0.289 1.765     210.143     260.000       6.939    2 
+    930000      186000.00      25.067     -52.366     -27.299   5.09 0.214 0.727 0.277 1.239     227.422     260.000       6.983    2 
+    940000      188000.00      30.989     -51.783     -20.794   5.15 0.286 0.765 0.310 1.628     281.152     260.000       6.965    2 
+    950000      190000.00      22.466     -54.950     -32.484   4.93 0.214 0.727 0.376 0.608     203.823     260.000       7.139    2 
+    960000      192000.00      22.277     -55.955     -33.678   4.88 0.143 0.846 0.353 0.760     202.106     260.000       7.101    2 
+    970000      194000.00      20.380     -56.686     -36.306   5.12 0.214 0.812 0.324 2.521     184.902     260.000       6.741    2 
+    980000      196000.00      27.576     -51.810     -24.234   4.58 0.286 0.692 0.294 1.365     250.188     260.000       6.895    2 
+    990000      198000.00      24.104     -53.734     -29.630   4.84 0.357 0.615 0.280 1.345     218.681     260.000       7.196    2 
+   1000000      200000.00      28.927     -55.300     -26.373   4.83 0.071 0.889 0.323 1.211     262.440     260.000       7.154    2 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB003.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB003.stat
index 845be60..172cec0 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB003.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB003.stat
@@ -1,101 +1,101 @@
-         0           0.00      26.518      21.380      47.898  12.87 0.000   NaN   NaN 0.938     240.583     250.000      15.552    3 
-     10000        2000.00      26.603     -30.536      -3.933   6.51 0.071 0.900 0.277 2.679     241.353     250.000       7.226    3 
-     20000        4000.00      24.935     -47.628     -22.693   7.01 0.071 0.929 0.266 3.057     226.226     250.000       6.842    3 
-     30000        6000.00      26.830     -47.656     -20.826   4.82 0.214 0.750 0.394 1.526     243.418     250.000       6.960    3 
-     40000        8000.00      22.137     -50.337     -28.201   5.06 0.286 0.765 0.369 1.486     200.834     250.000       6.720    3 
-     50000       10000.00      23.534     -49.657     -26.122   4.95 0.143 0.857 0.425 0.627     213.516     250.000       6.857    3 
-     60000       12000.00      27.411     -46.795     -19.384   4.93 0.214 0.786 0.357 1.005     248.687     250.000       6.999    3 
-     70000       14000.00      20.753     -48.674     -27.921   4.64 0.286 0.750 0.381 0.961     188.286     250.000       6.615    3 
-     80000       16000.00      27.661     -48.849     -21.187   4.71 0.214 0.812 0.491 2.324     250.957     250.000       6.540    3 
-     90000       18000.00      23.498     -55.799     -32.301   4.71 0.214 0.800 0.470 1.454     213.189     250.000       6.554    3 
-    100000       20000.00      22.077     -52.953     -30.876   4.56 0.286 0.667 0.398 0.790     200.297     250.000       6.700    3 
-    110000       22000.00      28.556     -27.175       1.381   5.85 0.143 0.750 0.335 1.293     259.073     290.000       7.183    3 
-    120000       24000.00      23.377     -27.687      -4.310   6.25 0.214 0.667 0.227 1.974     212.091     290.000       7.729    3 
-    130000       26000.00      34.000     -26.897       7.103   4.50 0.071 0.857 0.364 1.632     308.466     290.000       7.867    3 
-    140000       28000.00      28.403     -35.288      -6.885   4.44 0.071 0.889 0.359 2.160     257.690     290.000       7.025    3 
-    150000       30000.00      21.050     -50.265     -29.215   4.34 0.357 0.667 0.352 1.119     190.979     290.000       6.572    3 
-    160000       32000.00      31.698     -36.199      -4.501   4.84 0.214 0.667 0.313 1.906     287.577     290.000       7.212    3 
-    170000       34000.00      32.869     -50.387     -17.518   4.42 0.357 0.722 0.409 0.987     298.201     290.000       6.535    3 
-    180000       36000.00      23.908     -50.803     -26.895   4.42 0.429 0.700 0.291 0.610     216.905     290.000       6.576    3 
-    190000       38000.00      27.607     -40.988     -13.381   3.40 0.357 0.667 0.361 1.113     250.469     290.000       6.630    3 
-    200000       40000.00      23.967     -38.043     -14.076   6.13 0.214 0.727 0.273 1.245     217.444     290.000       6.870    3 
-    210000       42000.00      30.441     -39.063      -8.622   4.15 0.214 0.750 0.250 1.548     276.174     290.000       7.081    3 
-    220000       44000.00      27.219     -44.020     -16.801   5.90 0.214 0.727 0.310 1.746     246.949     290.000       6.681    3 
-    230000       46000.00      32.249     -42.383     -10.134   4.89 0.143 0.750 0.256 1.106     292.577     290.000       7.073    3 
-    240000       48000.00      26.521     -33.429      -6.908   4.58 0.214 0.667 0.283 2.012     240.616     290.000       7.150    3 
-    250000       50000.00      24.898     -49.496     -24.598   4.71 0.214 0.750 0.318 1.534     225.889     290.000       7.172    3 
-    260000       52000.00      21.560     -51.155     -29.595   4.44 0.143 0.800 0.391 1.874     195.606     290.000       6.876    3 
-    270000       54000.00      35.528     -48.110     -12.582   4.96 0.143 0.818 0.322 2.087     322.329     290.000       6.910    3 
-    280000       56000.00      29.783     -46.454     -16.671   6.39 0.143 0.800 0.191 2.012     270.210     290.000       7.558    3 
-    290000       58000.00      29.742     -46.440     -16.698   5.97 0.214 0.700 0.286 1.224     269.837     290.000       7.076    3 
-    300000       60000.00      26.065     -36.394     -10.329   4.90 0.214 0.800 0.355 2.597     236.474     290.000       6.854    3 
-    310000       62000.00      39.442     -32.214       7.228   5.33 0.286 0.636 0.343 1.388     357.837     290.000       6.924    3 
-    320000       64000.00      28.306     -48.219     -19.914   5.66 0.214 0.727 0.256 2.452     256.803     290.000       6.956    3 
-    330000       66000.00      31.736     -43.394     -11.659   5.20 0.143 0.800 0.227 1.231     287.921     290.000       6.802    3 
-    340000       68000.00      26.846     -36.688      -9.842   6.02 0.143 0.818 0.368 0.962     243.557     290.000       7.162    3 
-    350000       70000.00      25.286     -41.362     -16.077   5.54 0.286 0.692 0.325 1.437     229.407     290.000       6.598    3 
-    360000       72000.00      34.759     -41.434      -6.674   4.67 0.143 0.818 0.335 1.420     315.355     290.000       6.955    3 
-    370000       74000.00      27.979     -34.967      -6.988   5.37 0.286 0.714 0.244 1.971     253.839     290.000       7.219    3 
-    380000       76000.00      30.614     -47.014     -16.400   6.68 0.143 0.800 0.214 1.763     277.749     290.000       7.396    3 
-    390000       78000.00      32.910     -45.477     -12.567   4.50 0.214 0.727 0.277 1.772     298.576     290.000       7.126    3 
-    400000       80000.00      25.050     -49.726     -24.676   7.01 0.286 0.636 0.293 2.392     227.271     290.000       6.713    3 
-    410000       82000.00      22.837     -47.175     -24.339   5.56 0.214 0.727 0.236 1.580     207.186     280.000       7.196    3 
-    420000       84000.00      26.664     -34.205      -7.541   3.51 0.286 0.556 0.207 2.476     241.910     280.000       8.010    3 
-    430000       86000.00      22.944     -38.653     -15.709   6.42 0.214 0.700 0.186 1.525     208.157     280.000       9.172    3 
-    440000       88000.00      24.243     -43.395     -19.152   7.18 0.214 0.667 0.197 1.426     219.946     280.000       9.594    3 
-    450000       90000.00      31.960     -52.381     -20.422   1.73 0.357 0.643 0.321 1.300     289.953     280.000       6.646    3 
-    460000       92000.00      19.738     -48.079     -28.341   2.62 0.286 0.556 0.197 1.484     179.070     280.000       7.207    3 
-    470000       94000.00      29.100     -47.351     -18.251   4.09 0.214 0.769 0.371 1.841     264.013     280.000       6.724    3 
-    480000       96000.00      22.682     -53.659     -30.977   2.37 0.429 0.647 0.286 1.587     205.783     280.000       6.605    3 
-    490000       98000.00      27.446     -42.827     -15.381   3.98 0.143 0.818 0.306 1.437     249.000     280.000       6.258    3 
-    500000      100000.00      26.373     -51.621     -25.248   3.52 0.500 0.500 0.286 1.705     239.271     280.000       7.503    3 
-    510000      102000.00      29.462     -46.741     -17.279   2.57 0.429 0.625 0.287 2.823     267.295     270.000       6.997    3 
-    520000      104000.00      33.029     -56.838     -23.809   2.78 0.357 0.583 0.299 1.792     299.660     270.000       6.828    3 
-    530000      106000.00      22.983     -45.147     -22.164   3.45 0.214 0.750 0.258 2.069     208.514     270.000       6.927    3 
-    540000      108000.00      26.604     -56.279     -29.675   3.11 0.286 0.733 0.221 2.565     241.368     270.000       6.855    3 
-    550000      110000.00      25.516     -51.433     -25.917   3.03 0.357 0.615 0.248 1.443     231.497     270.000       6.998    3 
-    560000      112000.00      30.215     -51.675     -21.461   2.56 0.500 0.562 0.247 1.371     274.122     270.000       6.723    3 
-    570000      114000.00      27.676     -45.905     -18.229   4.15 0.214 0.727 0.306 1.933     251.091     270.000       7.027    3 
-    580000      116000.00      28.911     -56.241     -27.330   5.57 0.143 0.867 0.364 1.254     262.298     270.000       6.804    3 
-    590000      118000.00      25.264     -42.948     -17.684   5.34 0.357 0.667 0.288 1.537     229.207     270.000       6.806    3 
-    600000      120000.00      21.017     -50.989     -29.972   5.66 0.214 0.769 0.294 1.548     190.681     270.000       6.781    3 
-    610000      122000.00      29.859     -40.395     -10.536   4.91 0.214 0.571 0.169 1.029     270.896     290.000       8.169    3 
-    620000      124000.00      23.232     -41.689     -18.456   5.71 0.429 0.538 0.185 2.768     210.776     290.000       7.907    3 
-    630000      126000.00      32.115     -50.754     -18.640   2.75 0.357 0.615 0.241 1.031     291.362     290.000       6.886    3 
-    640000      128000.00      28.252     -46.039     -17.786   3.88 0.143 0.750 0.267 2.666     256.320     290.000       7.197    3 
-    650000      130000.00      27.736     -35.398      -7.662   4.18 0.286 0.500 0.233 1.791     251.633     290.000       7.236    3 
-    660000      132000.00      26.147     -41.122     -14.975   3.47 0.071 0.900 0.277 3.055     237.221     290.000       7.086    3 
-    670000      134000.00      28.627     -43.474     -14.847   3.07 0.214 0.625 0.193 1.238     259.721     290.000       7.603    3 
-    680000      136000.00      26.952     -38.264     -11.312   2.96 0.357 0.615 0.297 2.903     244.526     290.000       6.927    3 
-    690000      138000.00      23.864     -40.678     -16.814   2.81 0.286 0.600 0.191 1.403     216.504     290.000       7.871    3 
-    700000      140000.00      30.974     -39.966      -8.992   4.99 0.214 0.786 0.299 3.098     281.015     290.000       7.241    3 
-    710000      142000.00      27.759     -41.685     -13.926   5.36 0.357 0.667 0.264 2.205     251.844     290.000       7.110    3 
-    720000      144000.00      29.736     -52.692     -22.956   5.85 0.357 0.688 0.307 2.400     269.780     290.000       6.692    3 
-    730000      146000.00      23.306     -53.058     -29.752   5.47 0.286 0.636 0.240 1.591     211.443     290.000       7.117    3 
-    740000      148000.00      34.298     -48.768     -14.470   6.03 0.143 0.875 0.310 1.856     311.165     290.000       6.722    3 
-    750000      150000.00      26.539     -41.227     -14.687   6.33 0.214 0.500 0.197 3.002     240.779     290.000       7.906    3 
-    760000      152000.00      28.133     -52.222     -24.090   4.80 0.071 0.889 0.237 1.322     255.233     290.000       7.052    3 
-    770000      154000.00      22.362     -39.843     -17.480   4.75 0.143 0.833 0.277 1.265     202.884     290.000       6.841    3 
-    780000      156000.00      26.167     -40.253     -14.086   4.23 0.286 0.714 0.325 1.532     237.399     290.000       6.467    3 
-    790000      158000.00      36.858     -47.760     -10.902   4.89 0.357 0.643 0.334 1.228     334.399     290.000       6.460    3 
-    800000      160000.00      26.516     -40.404     -13.888   4.79 0.357 0.583 0.333 1.578     240.569     290.000       7.065    3 
-    810000      162000.00      25.902     -55.216     -29.314   4.97 0.500 0.650 0.307 0.670     234.999     280.000       6.549    3 
-    820000      164000.00      31.204     -49.950     -18.746   6.37 0.214 0.769 0.248 1.374     283.100     280.000       6.924    3 
-    830000      166000.00      31.175     -48.146     -16.971   6.37 0.357 0.545 0.190 1.693     282.836     280.000       7.552    3 
-    840000      168000.00      24.174     -46.489     -22.314   5.06 0.357 0.583 0.352 0.993     219.323     280.000       6.790    3 
-    850000      170000.00      26.147     -60.585     -34.438   1.88 0.643 0.500 0.263 2.474     237.215     280.000       6.536    3 
-    860000      172000.00      23.888     -50.486     -26.598   4.27 0.357 0.667 0.264 2.149     216.721     280.000       7.169    3 
-    870000      174000.00      26.312     -48.780     -22.468   5.25 0.143 0.750 0.199 1.707     238.717     280.000       8.166    3 
-    880000      176000.00      29.578     -46.345     -16.767   2.86 0.214 0.769 0.325 0.994     268.350     280.000       7.079    3 
-    890000      178000.00      32.739     -45.225     -12.486   2.99 0.286 0.500 0.244 1.443     297.021     280.000       7.438    3 
-    900000      180000.00      25.865     -60.374     -34.509   2.44 0.643 0.471 0.348 0.493     234.664     280.000       6.444    3 
-    910000      182000.00      32.285     -47.820     -15.535   2.53 0.500 0.562 0.276 2.853     292.906     280.000       6.486    3 
-    920000      184000.00      22.831     -50.501     -27.670   2.88 0.429 0.600 0.258 2.220     207.138     280.000       6.806    3 
-    930000      186000.00      27.129     -55.890     -28.761   2.07 0.500 0.588 0.321 1.873     246.133     280.000       6.675    3 
-    940000      188000.00      29.047     -53.286     -24.239   6.46 0.214 0.700 0.205 1.071     263.530     280.000       7.000    3 
-    950000      190000.00      27.402     -47.487     -20.085   6.36 0.286 0.556 0.202 1.708     248.606     280.000       7.833    3 
-    960000      192000.00      23.840     -49.931     -26.091   6.19 0.357 0.615 0.213 1.148     216.284     280.000       7.272    3 
-    970000      194000.00      28.341     -39.834     -11.493   5.12 0.071 0.833 0.333 1.929     257.127     280.000       7.455    3 
-    980000      196000.00      29.894     -52.449     -22.555   4.93 0.500 0.500 0.308 2.509     271.214     280.000       6.945    3 
-    990000      198000.00      28.084     -40.737     -12.652   7.09 0.071 0.889 0.263 1.642     254.796     280.000       7.032    3 
-   1000000      200000.00      25.937     -47.875     -21.938   4.48 0.071 0.800 0.182 1.398     235.311     280.000       8.072    3 
+         0           0.00      24.564      24.992      49.556  12.87 0.000   NaN   NaN 0.710     222.858     260.000      15.552    3 
+     10000        2000.00      30.066     -34.803      -4.737   5.57 0.071 0.900 0.409 1.457     272.773     260.000       7.805    3 
+     20000        4000.00      22.669     -21.777       0.892   6.32 0.143 0.778 0.374 1.002     205.666     260.000       7.788    3 
+     30000        6000.00      19.873     -31.249     -11.376   6.15 0.071 0.857 0.305 1.972     180.301     260.000       8.290    3 
+     40000        8000.00      23.299     -36.914     -13.615   6.14 0.143 0.750 0.398 1.522     211.382     260.000       7.304    3 
+     50000       10000.00      28.766     -26.701       2.065   5.80 0.143 0.818 0.372 1.972     260.980     260.000       7.589    3 
+     60000       12000.00      28.499     -35.768      -7.269   4.82 0.214 0.769 0.455 1.392     258.558     260.000       6.838    3 
+     70000       14000.00      30.737     -48.267     -17.530   4.69 0.286 0.714 0.373 1.183     278.863     260.000       7.091    3 
+     80000       16000.00      30.608     -45.968     -15.360   4.05 0.357 0.667 0.321 1.411     277.690     260.000       6.939    3 
+     90000       18000.00      20.269     -56.854     -36.586   5.02 0.357 0.722 0.273 2.191     183.886     260.000       7.175    3 
+    100000       20000.00      26.410     -47.900     -21.490   5.44 0.214 0.786 0.234 0.636     239.603     260.000       6.870    3 
+    110000       22000.00      24.581     -47.049     -22.468   5.24 0.071 0.923 0.262 2.073     223.009     260.000       6.959    3 
+    120000       24000.00      26.219     -54.112     -27.894   4.83 0.143 0.833 0.227 0.993     237.869     260.000       7.191    3 
+    130000       26000.00      25.149     -54.117     -28.968   5.04 0.214 0.769 0.252 0.894     228.167     260.000       6.955    3 
+    140000       28000.00      21.104     -37.956     -16.852   5.99 0.071 0.857 0.221 1.869     191.469     260.000       7.003    3 
+    150000       30000.00      25.413     -41.290     -15.877   6.54 0.214 0.667 0.273 1.465     230.561     260.000       6.990    3 
+    160000       32000.00      19.650     -43.283     -23.633   3.91 0.571 0.333 0.170 1.687     178.271     260.000       8.080    3 
+    170000       34000.00      25.467     -52.813     -27.346   2.66 0.429 0.625 0.310 0.858     231.047     260.000       6.709    3 
+    180000       36000.00      29.903     -50.585     -20.682   3.43 0.429 0.625 0.304 1.443     271.295     260.000       6.519    3 
+    190000       38000.00      22.163     -42.546     -20.383   3.14 0.286 0.636 0.273 1.726     201.074     260.000       7.320    3 
+    200000       40000.00      22.244     -49.393     -27.148   3.74 0.143 0.846 0.224 1.903     201.811     260.000       7.396    3 
+    210000       42000.00      29.387     -47.578     -18.192   3.33 0.286 0.692 0.245 1.809     266.611     260.000       7.179    3 
+    220000       44000.00      29.056     -44.552     -15.496   3.58 0.286 0.667 0.258 1.472     263.613     260.000       7.227    3 
+    230000       46000.00      27.724     -57.413     -29.689   3.08 0.286 0.667 0.288 1.065     251.528     260.000       7.098    3 
+    240000       48000.00      27.876     -54.074     -26.198   3.02 0.429 0.647 0.313 1.929     252.905     260.000       6.680    3 
+    250000       50000.00      26.249     -56.940     -30.691   2.91 0.429 0.684 0.297 1.107     238.148     260.000       6.820    3 
+    260000       52000.00      33.814     -52.214     -18.400   2.96 0.286 0.667 0.292 1.617     306.781     260.000       7.089    3 
+    270000       54000.00      26.519     -53.104     -26.585   3.38 0.286 0.636 0.211 0.908     240.596     260.000       7.250    3 
+    280000       56000.00      26.991     -53.509     -26.518   3.34 0.429 0.667 0.303 1.547     244.872     260.000       6.774    3 
+    290000       58000.00      23.103     -39.951     -16.847   3.47 0.214 0.750 0.205 1.707     209.605     260.000       7.393    3 
+    300000       60000.00      28.420     -46.311     -17.891   3.37 0.286 0.667 0.356 1.435     257.841     260.000       6.982    3 
+    310000       62000.00      24.642     -48.039     -23.397   2.48 0.286 0.733 0.345 1.142     223.566     260.000       6.861    3 
+    320000       64000.00      28.427     -56.043     -27.616   3.00 0.214 0.750 0.254 1.424     257.906     260.000       6.845    3 
+    330000       66000.00      25.410     -52.952     -27.542   3.37 0.429 0.647 0.382 1.043     230.531     260.000       6.851    3 
+    340000       68000.00      27.446     -54.210     -26.764   3.47 0.357 0.583 0.216 1.674     249.005     260.000       7.235    3 
+    350000       70000.00      21.659     -53.411     -31.752   3.08 0.286 0.714 0.250 1.264     196.501     260.000       6.845    3 
+    360000       72000.00      25.443     -52.058     -26.616   3.17 0.214 0.786 0.269 1.392     230.831     260.000       6.927    3 
+    370000       74000.00      24.690     -54.880     -30.190   3.09 0.357 0.667 0.306 1.062     224.001     260.000       6.852    3 
+    380000       76000.00      22.874     -54.738     -31.864   2.46 0.429 0.647 0.265 1.066     207.522     260.000       6.794    3 
+    390000       78000.00      26.985     -53.034     -26.049   2.91 0.286 0.667 0.261 0.938     244.823     260.000       7.273    3 
+    400000       80000.00      25.069     -44.659     -19.589   2.75 0.286 0.692 0.301 1.461     227.442     260.000       6.764    3 
+    410000       82000.00      26.685     -54.496     -27.811   2.67 0.286 0.714 0.299 1.665     242.098     260.000       7.054    3 
+    420000       84000.00      22.662     -58.049     -35.387   4.87 0.286 0.778 0.260 0.901     205.600     260.000       6.795    3 
+    430000       86000.00      25.993     -49.012     -23.019   4.68 0.214 0.769 0.224 2.292     235.818     260.000       7.285    3 
+    440000       88000.00      27.844     -47.567     -19.723   4.30 0.071 0.889 0.268 1.099     252.618     260.000       7.325    3 
+    450000       90000.00      25.862     -51.827     -25.965   4.89 0.286 0.636 0.264 1.439     234.635     260.000       7.326    3 
+    460000       92000.00      21.255     -66.389     -45.134   4.53 0.286 0.733 0.248 1.340     192.837     260.000       6.962    3 
+    470000       94000.00      30.243     -53.906     -23.663   4.46 0.357 0.667 0.221 1.871     274.383     260.000       6.845    3 
+    480000       96000.00      22.854     -58.897     -36.042   4.45 0.143 0.857 0.250 1.727     207.345     260.000       6.951    3 
+    490000       98000.00      25.713     -53.560     -27.847   4.06 0.357 0.643 0.295 1.436     233.280     260.000       7.365    3 
+    500000      100000.00      25.474     -57.125     -31.652   4.15 0.286 0.733 0.291 1.322     231.111     260.000       6.998    3 
+    510000      102000.00      21.239     -57.020     -35.782   4.34 0.214 0.769 0.227 1.623     192.689     250.000       7.163    3 
+    520000      104000.00      19.654     -55.540     -35.886   4.31 0.214 0.833 0.240 1.778     178.314     250.000       6.911    3 
+    530000      106000.00      20.465     -59.589     -39.124   4.87 0.143 0.846 0.252 1.871     185.666     250.000       6.822    3 
+    540000      108000.00      19.703     -61.419     -41.715   4.30 0.286 0.692 0.259 1.268     178.756     250.000       7.002    3 
+    550000      110000.00      23.825     -61.924     -38.099   4.54 0.143 0.818 0.273 0.892     216.153     250.000       7.171    3 
+    560000      112000.00      30.056     -63.776     -33.720   4.47 0.429 0.667 0.242 1.660     272.683     250.000       7.066    3 
+    570000      114000.00      26.288     -70.509     -44.222   4.23 0.214 0.800 0.252 1.403     238.495     250.000       6.820    3 
+    580000      116000.00      17.689     -58.037     -40.348   4.74 0.357 0.643 0.260 1.983     160.485     250.000       7.006    3 
+    590000      118000.00      29.270     -61.384     -32.114   4.19 0.214 0.769 0.273 2.067     265.555     250.000       7.101    3 
+    600000      120000.00      24.284     -59.593     -35.308   4.34 0.357 0.643 0.227 1.536     220.319     250.000       7.042    3 
+    610000      122000.00      35.100     -62.255     -27.155   4.14 0.214 0.769 0.252 1.613     318.446     260.000       6.859    3 
+    620000      124000.00      24.277     -59.647     -35.370   4.69 0.286 0.692 0.238 0.751     220.258     260.000       7.049    3 
+    630000      126000.00      23.147     -47.020     -23.873   4.40 0.143 0.857 0.276 2.633     210.000     260.000       6.781    3 
+    640000      128000.00      26.284     -56.667     -30.384   4.64 0.143 0.857 0.263 1.485     238.458     260.000       7.187    3 
+    650000      130000.00      25.175     -60.003     -34.828   4.46 0.214 0.786 0.224 1.306     228.400     260.000       6.870    3 
+    660000      132000.00      24.227     -54.098     -29.871   4.95 0.500 0.533 0.221 2.772     219.802     260.000       7.189    3 
+    670000      134000.00      22.564     -55.758     -33.194   4.31 0.143 0.800 0.241 3.101     204.710     260.000       6.805    3 
+    680000      136000.00      22.884     -57.180     -34.295   4.51 0.286 0.667 0.231 1.358     207.619     260.000       7.074    3 
+    690000      138000.00      29.641     -57.804     -28.163   4.40 0.429 0.625 0.241 1.522     268.916     260.000       6.807    3 
+    700000      140000.00      27.852     -54.796     -26.944   4.42 0.143 0.846 0.266 0.862     252.687     260.000       6.894    3 
+    710000      142000.00      16.121     -61.761     -45.640   4.28 0.214 0.812 0.318 0.593     146.257     250.000       6.704    3 
+    720000      144000.00      20.626     -61.327     -40.701   5.28 0.214 0.800 0.276 1.755     187.133     250.000       7.259    3 
+    730000      146000.00      29.117     -66.882     -37.765   4.41 0.143 0.857 0.273 3.549     264.164     250.000       6.954    3 
+    740000      148000.00      23.251     -64.683     -41.432   4.17 0.143 0.833 0.269 2.034     210.949     250.000       7.047    3 
+    750000      150000.00      21.899     -55.424     -33.525   4.23 0.214 0.800 0.273 2.211     198.678     250.000       6.814    3 
+    760000      152000.00      27.713     -64.225     -36.512   4.39 0.143 0.833 0.277 1.382     251.427     250.000       6.855    3 
+    770000      154000.00      22.492     -65.104     -42.611   4.28 0.214 0.812 0.278 1.233     204.061     250.000       6.820    3 
+    780000      156000.00      23.553     -62.402     -38.849   4.18 0.286 0.733 0.285 1.169     213.688     250.000       6.805    3 
+    790000      158000.00      32.823     -63.024     -30.201   4.30 0.286 0.714 0.260 1.841     297.784     250.000       6.693    3 
+    800000      160000.00      24.866     -55.391     -30.525   3.99 0.286 0.714 0.240 1.863     225.600     250.000       7.083    3 
+    810000      162000.00      20.927     -67.886     -46.959   4.43 0.143 0.846 0.231 1.943     189.858     250.000       6.934    3 
+    820000      164000.00      31.993     -59.735     -27.741   4.29 0.286 0.733 0.276 2.714     290.260     250.000       6.799    3 
+    830000      166000.00      33.849     -62.538     -28.688   4.52 0.429 0.684 0.246 2.071     307.099     250.000       7.015    3 
+    840000      168000.00      26.124     -58.102     -31.978   4.46 0.357 0.643 0.253 1.989     237.008     250.000       7.202    3 
+    850000      170000.00      18.853     -58.389     -39.537   4.50 0.143 0.800 0.214 0.858     171.042     250.000       6.858    3 
+    860000      172000.00      28.863     -71.895     -43.032   4.55 0.214 0.824 0.254 1.728     261.857     250.000       6.677    3 
+    870000      174000.00      16.654     -62.792     -46.138   5.14 0.286 0.778 0.260 1.363     151.096     250.000       7.220    3 
+    880000      176000.00      26.427     -58.877     -32.451   4.34 0.214 0.786 0.253 2.363     239.756     250.000       7.143    3 
+    890000      178000.00      24.843     -59.981     -35.138   4.16 0.357 0.688 0.227 1.739     225.387     250.000       7.108    3 
+    900000      180000.00      27.125     -66.661     -39.536   4.47 0.214 0.750 0.246 0.865     246.093     250.000       6.958    3 
+    910000      182000.00      28.649     -65.013     -36.363   4.25 0.143 0.846 0.262 1.320     259.922     250.000       6.676    3 
+    920000      184000.00      16.630     -59.236     -42.607   4.24 0.143 0.857 0.256 1.123     150.873     250.000       6.741    3 
+    930000      186000.00      32.624     -50.353     -17.729   4.90 0.143 0.833 0.284 1.329     295.980     250.000       7.135    3 
+    940000      188000.00      27.678     -61.389     -33.712   4.57 0.214 0.812 0.239 3.015     251.105     250.000       6.968    3 
+    950000      190000.00      16.375     -58.833     -42.458   4.40 0.143 0.833 0.258 1.260     148.560     250.000       6.792    3 
+    960000      192000.00      21.918     -66.326     -44.408   4.23 0.071 0.933 0.318 1.787     198.848     250.000       6.869    3 
+    970000      194000.00      21.511     -58.588     -37.077   4.05 0.214 0.750 0.246 1.569     195.156     250.000       6.993    3 
+    980000      196000.00      22.239     -68.477     -46.238   4.41 0.214 0.769 0.276 2.109     201.762     250.000       6.763    3 
+    990000      198000.00      15.284     -58.073     -42.789   4.74 0.214 0.727 0.231 1.493     138.665     250.000       7.349    3 
+   1000000      200000.00      26.206     -59.089     -32.883   4.25 0.214 0.800 0.282 1.601     237.756     250.000       6.734    3 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB004.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB004.stat
index 0abd8f7..67c7d47 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB004.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB004.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.908      21.377      49.285  12.87 0.000   NaN   NaN 0.938     253.193     260.000      15.552    4 
-     10000        2000.00      15.963     -39.310     -23.347   7.76 0.214 0.571 0.169 1.073     144.822     260.000      11.221    4 
-     20000        4000.00      30.820     -62.373     -31.553   4.76 0.429 0.647 0.329 2.125     279.618     260.000       6.854    4 
-     30000        6000.00      22.096     -48.630     -26.534   6.15 0.143 0.818 0.293 1.368     200.469     260.000       8.900    4 
-     40000        8000.00      25.454     -51.494     -26.040   5.75 0.214 0.667 0.192 1.002     230.929     260.000       8.950    4 
-     50000       10000.00      21.776     -43.112     -21.336   7.36 0.286 0.600 0.209 1.173     197.565     260.000       8.487    4 
-     60000       12000.00      20.501     -59.876     -39.375   4.72 0.357 0.643 0.195 1.426     185.997     260.000       7.719    4 
-     70000       14000.00      31.673     -45.639     -13.967   6.57 0.286 0.714 0.273 4.513     287.350     260.000       6.508    4 
-     80000       16000.00      19.519     -57.089     -37.571   4.82 0.429 0.600 0.276 2.347     177.083     260.000       6.622    4 
-     90000       18000.00      25.608     -51.092     -25.484   4.90 0.429 0.571 0.344 2.319     232.327     260.000       6.755    4 
-    100000       20000.00      26.812     -54.665     -27.853   6.58 0.286 0.733 0.218 1.178     243.252     260.000       7.220    4 
-    110000       22000.00      24.631     -58.390     -33.759   4.78 0.286 0.636 0.264 2.517     223.464     250.000       6.706    4 
-    120000       24000.00      23.927     -69.361     -45.434   6.20 0.214 0.786 0.295 0.922     217.078     250.000       6.475    4 
-    130000       26000.00      25.287     -55.972     -30.685   3.88 0.286 0.733 0.258 2.054     229.415     250.000       6.893    4 
-    140000       28000.00      26.867     -48.169     -21.302   4.42 0.357 0.667 0.218 1.687     243.751     250.000       6.567    4 
-    150000       30000.00      19.743     -63.766     -44.023   4.79 0.286 0.765 0.299 0.992     179.122     250.000       6.760    4 
-    160000       32000.00      22.539     -57.381     -34.841   6.05 0.357 0.688 0.284 1.168     204.487     250.000       6.708    4 
-    170000       34000.00      23.903     -55.275     -31.372   4.48 0.286 0.750 0.321 2.318     216.863     250.000       6.652    4 
-    180000       36000.00      26.703     -56.170     -29.467   4.83 0.429 0.625 0.222 4.223     242.263     250.000       6.595    4 
-    190000       38000.00      23.412     -67.395     -43.984   5.54 0.357 0.722 0.326 1.066     212.404     250.000       6.351    4 
-    200000       40000.00      22.873     -65.376     -42.503   6.84 0.143 0.875 0.321 1.906     207.511     250.000       6.304    4 
-    210000       42000.00      25.158     -59.000     -33.842   4.76 0.429 0.625 0.347 1.833     228.246     260.000       6.707    4 
-    220000       44000.00      29.024     -53.990     -24.966   5.27 0.214 0.786 0.344 1.448     263.322     260.000       6.456    4 
-    230000       46000.00      20.427     -53.309     -32.882   5.14 0.286 0.714 0.331 1.445     185.323     260.000       6.771    4 
-    240000       48000.00      26.181     -55.441     -29.260   6.01 0.357 0.643 0.205 1.026     237.529     260.000       6.899    4 
-    250000       50000.00      24.522     -55.204     -30.682   5.24 0.143 0.846 0.346 2.152     222.473     260.000       7.037    4 
-    260000       52000.00      29.883     -56.250     -26.367   5.30 0.143 0.867 0.306 1.058     271.116     260.000       6.719    4 
-    270000       54000.00      28.848     -54.394     -25.546   3.58 0.500 0.632 0.299 2.045     261.721     260.000       6.711    4 
-    280000       56000.00      25.141     -54.907     -29.767   3.44 0.357 0.706 0.310 1.700     228.089     260.000       6.311    4 
-    290000       58000.00      21.510     -57.080     -35.571   3.27 0.357 0.706 0.262 1.475     195.148     260.000       6.397    4 
-    300000       60000.00      21.039     -54.227     -33.189   2.23 0.500 0.462 0.311 1.414     190.872     260.000       6.601    4 
-    310000       62000.00      22.794     -56.642     -33.848   2.17 0.286 0.692 0.315 1.201     206.799     260.000       6.895    4 
-    320000       64000.00      23.552     -57.484     -33.932   3.64 0.357 0.583 0.197 1.992     213.676     260.000       7.485    4 
-    330000       66000.00      30.006     -58.964     -28.958   4.79 0.357 0.643 0.192 1.529     272.230     260.000       7.773    4 
-    340000       68000.00      26.845     -59.761     -32.916   2.64 0.143 0.800 0.214 1.358     243.549     260.000       7.018    4 
-    350000       70000.00      21.974     -52.895     -30.921   2.23 0.429 0.600 0.200 1.242     199.362     260.000       7.112    4 
-    360000       72000.00      31.988     -60.316     -28.329   6.46 0.286 0.692 0.227 1.087     290.207     260.000       7.526    4 
-    370000       74000.00      16.422     -53.650     -37.227   3.42 0.357 0.500 0.195 1.046     148.989     260.000       7.240    4 
-    380000       76000.00      22.544     -50.480     -27.936   4.46 0.214 0.700 0.214 2.412     204.527     260.000       7.499    4 
-    390000       78000.00      31.127     -55.714     -24.586   2.49 0.286 0.636 0.207 1.242     282.403     260.000       7.249    4 
-    400000       80000.00      18.606     -58.820     -40.213   2.28 0.286 0.636 0.207 1.348     168.807     260.000       7.235    4 
-    410000       82000.00      26.133     -63.143     -37.010   2.74 0.500 0.533 0.248 1.869     237.096     250.000       7.009    4 
-    420000       84000.00      26.733     -49.224     -22.490   2.52 0.357 0.583 0.277 1.676     242.540     250.000       6.638    4 
-    430000       86000.00      19.673     -69.221     -49.548   3.38 0.357 0.722 0.316 0.929     178.483     250.000       6.746    4 
-    440000       88000.00      22.350     -59.324     -36.974   2.96 0.214 0.727 0.347 2.138     202.772     250.000       6.316    4 
-    450000       90000.00      23.810     -60.056     -36.245   3.39 0.286 0.765 0.299 1.472     216.020     250.000       6.396    4 
-    460000       92000.00      24.712     -64.761     -40.049   3.06 0.357 0.545 0.182 1.476     224.197     250.000       7.350    4 
-    470000       94000.00      32.829     -62.690     -29.861   5.36 0.357 0.667 0.233 2.342     297.840     250.000       7.093    4 
-    480000       96000.00      23.209     -64.661     -41.452   2.40 0.643 0.500 0.283 1.245     210.561     250.000       6.819    4 
-    490000       98000.00      23.250     -62.042     -38.792   2.62 0.500 0.632 0.285 1.009     210.933     250.000       6.747    4 
-    500000      100000.00      30.962     -60.252     -29.290   2.55 0.571 0.467 0.330 1.318     280.901     250.000       6.782    4 
-    510000      102000.00      20.726     -46.899     -26.173   1.79 0.357 0.545 0.364 1.327     188.034     280.000       7.076    4 
-    520000      104000.00      28.576     -51.445     -22.869   2.68 0.286 0.750 0.315 1.720     259.260     280.000       6.368    4 
-    530000      106000.00      26.507     -64.022     -37.515   2.33 0.571 0.579 0.287 1.093     240.485     280.000       6.420    4 
-    540000      108000.00      31.933     -57.665     -25.732   1.97 0.571 0.619 0.292 1.399     289.713     280.000       6.530    4 
-    550000      110000.00      24.002     -54.258     -30.256   2.70 0.429 0.600 0.242 1.381     217.762     280.000       6.652    4 
-    560000      112000.00      24.724     -52.650     -27.926   2.34 0.500 0.611 0.323 0.984     224.309     280.000       6.559    4 
-    570000      114000.00      27.347     -50.089     -22.742   2.38 0.429 0.600 0.352 1.634     248.109     280.000       6.613    4 
-    580000      116000.00      30.021     -53.317     -23.296   5.11 0.357 0.688 0.213 0.262     272.365     280.000       8.023    4 
-    590000      118000.00      22.451     -43.503     -21.053   5.31 0.286 0.636 0.174 1.047     203.685     280.000       8.418    4 
-    600000      120000.00      24.012     -50.088     -26.076   3.63 0.500 0.562 0.287 1.068     217.852     280.000       6.482    4 
-    610000      122000.00      24.943     -51.702     -26.759   2.90 0.500 0.667 0.323 2.661     226.295     270.000       6.454    4 
-    620000      124000.00      28.436     -52.827     -24.392   3.74 0.357 0.722 0.295 1.264     257.983     270.000       6.736    4 
-    630000      126000.00      28.495     -56.549     -28.054   3.41 0.429 0.600 0.258 3.666     258.521     270.000       6.618    4 
-    640000      128000.00      30.284     -54.033     -23.749   3.13 0.429 0.600 0.303 1.620     274.753     270.000       6.823    4 
-    650000      130000.00      30.210     -63.384     -33.173   3.98 0.286 0.733 0.261 2.166     274.085     270.000       6.708    4 
-    660000      132000.00      26.339     -50.631     -24.292   2.04 0.357 0.643 0.344 1.774     238.962     270.000       6.712    4 
-    670000      134000.00      27.238     -53.893     -26.654   2.88 0.571 0.556 0.270 1.896     247.121     270.000       6.680    4 
-    680000      136000.00      24.211     -55.152     -30.941   1.95 0.500 0.533 0.291 1.752     219.652     270.000       6.734    4 
-    690000      138000.00      24.747     -46.513     -21.766   2.77 0.357 0.500 0.177 1.341     224.515     270.000       7.534    4 
-    700000      140000.00      17.663     -57.784     -40.122   2.39 0.357 0.615 0.350 1.111     160.245     270.000       6.498    4 
-    710000      142000.00      29.281     -45.084     -15.803   3.80 0.357 0.643 0.253 1.028     265.655     270.000       7.233    4 
-    720000      144000.00      24.123     -41.564     -17.441   3.00 0.286 0.636 0.273 1.231     218.857     270.000       6.651    4 
-    730000      146000.00      32.361     -48.117     -15.755   5.77 0.286 0.500 0.165 1.108     293.599     270.000       8.723    4 
-    740000      148000.00      21.145     -56.951     -35.807   3.68 0.286 0.733 0.267 1.341     191.836     270.000       6.460    4 
-    750000      150000.00      29.200     -49.567     -20.367   3.04 0.643 0.500 0.298 2.467     264.917     270.000       6.273    4 
-    760000      152000.00      30.990     -52.405     -21.415   2.40 0.357 0.615 0.220 3.587     281.157     270.000       6.651    4 
-    770000      154000.00      30.018     -50.743     -20.725   3.05 0.429 0.538 0.283 1.320     272.339     270.000       6.505    4 
-    780000      156000.00      23.445     -51.368     -27.923   2.33 0.571 0.467 0.273 0.881     212.707     270.000       6.542    4 
-    790000      158000.00      31.692     -52.274     -20.582   2.28 0.429 0.625 0.293 1.419     287.525     270.000       6.747    4 
-    800000      160000.00      16.975     -52.406     -35.431   3.55 0.357 0.688 0.264 1.265     154.007     270.000       7.081    4 
-    810000      162000.00      24.140     -54.359     -30.219   2.11 0.571 0.529 0.321 1.058     219.011     270.000       6.499    4 
-    820000      164000.00      26.052     -56.367     -30.316   4.15 0.357 0.615 0.199 2.094     236.355     270.000       7.620    4 
-    830000      166000.00      32.136     -46.248     -14.112   4.75 0.214 0.700 0.173 1.506     291.551     270.000       8.441    4 
-    840000      168000.00      29.012     -48.928     -19.917   2.78 0.429 0.667 0.260 1.626     263.209     270.000       6.728    4 
-    850000      170000.00      22.787     -51.067     -28.280   2.57 0.357 0.722 0.338 1.034     206.739     270.000       6.458    4 
-    860000      172000.00      28.350     -57.253     -28.904   2.94 0.571 0.529 0.356 1.143     257.205     270.000       6.581    4 
-    870000      174000.00      27.849     -63.282     -35.433   2.65 0.500 0.667 0.277 0.806     252.664     270.000       6.492    4 
-    880000      176000.00      19.947     -59.728     -39.781   2.93 0.429 0.684 0.311 2.601     180.973     270.000       6.539    4 
-    890000      178000.00      21.281     -58.054     -36.774   2.13 0.500 0.588 0.337 2.413     193.069     270.000       6.704    4 
-    900000      180000.00      24.171     -61.135     -36.963   2.68 0.500 0.588 0.270 1.228     219.296     270.000       6.693    4 
-    910000      182000.00      24.028     -50.112     -26.084   3.29 0.214 0.769 0.325 1.299     217.996     270.000       6.868    4 
-    920000      184000.00      25.257     -54.277     -29.020   2.61 0.357 0.615 0.364 1.231     229.141     270.000       6.999    4 
-    930000      186000.00      26.063     -54.102     -28.039   2.80 0.571 0.579 0.256 2.044     236.456     270.000       6.687    4 
-    940000      188000.00      23.283     -46.475     -23.192   3.70 0.357 0.722 0.298 1.032     211.239     270.000       6.385    4 
-    950000      190000.00      27.693     -50.745     -23.052   2.67 0.500 0.462 0.196 0.824     251.245     270.000       6.959    4 
-    960000      192000.00      25.111     -59.607     -34.496   3.63 0.500 0.650 0.311 3.076     227.821     270.000       6.512    4 
-    970000      194000.00      30.884     -49.806     -18.922   3.32 0.286 0.692 0.252 3.437     280.195     270.000       6.914    4 
-    980000      196000.00      22.865     -47.712     -24.847   2.17 0.429 0.571 0.273 2.764     207.442     270.000       6.484    4 
-    990000      198000.00      35.138     -61.589     -26.451   2.67 0.357 0.706 0.233 1.098     318.789     270.000       6.375    4 
-   1000000      200000.00      26.433     -56.356     -29.923   3.16 0.429 0.684 0.304 1.079     239.815     270.000       6.529    4 
+         0           0.00      25.457      24.969      50.427  12.87 0.000   NaN   NaN 0.709     230.962     270.000      15.552    4 
+     10000        2000.00      29.422     -40.620     -11.197   2.74 0.286 0.600 0.191 1.493     266.934     270.000       6.842    4 
+     20000        4000.00      25.740     -43.944     -18.204   2.42 0.357 0.444 0.278 1.579     233.523     270.000       7.114    4 
+     30000        6000.00      32.940     -45.967     -13.028   2.05 0.357 0.615 0.301 1.250     298.846     270.000       6.680    4 
+     40000        8000.00      23.544     -32.401      -8.857   2.66 0.357 0.500 0.364 1.133     213.601     270.000       6.653    4 
+     50000       10000.00      27.531     -39.629     -12.097   2.05 0.500 0.462 0.301 1.559     249.776     270.000       6.965    4 
+     60000       12000.00      20.224     -42.715     -22.491   3.26 0.214 0.625 0.239 1.603     183.486     270.000       7.320    4 
+     70000       14000.00      27.694     -38.426     -10.732   2.49 0.357 0.667 0.324 1.428     251.251     270.000       6.657    4 
+     80000       16000.00      28.526     -51.263     -22.737   2.22 0.571 0.579 0.337 1.737     258.800     270.000       6.367    4 
+     90000       18000.00      26.306     -48.231     -21.925   3.01 0.429 0.625 0.327 1.630     238.659     270.000       6.594    4 
+    100000       20000.00      27.281     -48.667     -21.385   2.82 0.286 0.692 0.171 1.880     247.510     270.000       7.259    4 
+    110000       22000.00      31.200     -42.398     -11.198   2.98 0.357 0.615 0.269 1.387     283.065     260.000       7.189    4 
+    120000       24000.00      28.637     -45.294     -16.656   2.22 0.429 0.400 0.191 1.514     259.814     260.000       7.287    4 
+    130000       26000.00      25.132     -47.049     -21.917   3.57 0.429 0.538 0.280 2.357     228.012     260.000       6.643    4 
+    140000       28000.00      25.822     -45.562     -19.741   3.22 0.357 0.583 0.322 0.948     234.268     260.000       6.585    4 
+    150000       30000.00      22.975     -51.729     -28.754   2.51 0.571 0.500 0.278 1.347     208.443     260.000       6.648    4 
+    160000       32000.00      17.268     -42.360     -25.092   3.91 0.357 0.643 0.256 1.689     156.668     260.000       7.047    4 
+    170000       34000.00      19.277     -51.703     -32.425   3.90 0.429 0.571 0.461 2.480     174.895     260.000       6.367    4 
+    180000       36000.00      29.488     -35.655      -6.167   2.95 0.357 0.545 0.248 4.288     267.527     260.000       6.770    4 
+    190000       38000.00      23.788     -50.258     -26.470   3.59 0.286 0.800 0.402 1.332     215.817     260.000       6.055    4 
+    200000       40000.00      26.932     -45.576     -18.644   4.05 0.429 0.600 0.324 3.863     244.344     260.000       6.711    4 
+    210000       42000.00      26.928     -50.145     -23.216   4.87 0.286 0.692 0.252 2.760     244.308     260.000       7.041    4 
+    220000       44000.00      23.543     -33.092      -9.549   6.59 0.143 0.833 0.227 2.067     213.592     260.000       7.559    4 
+    230000       46000.00      19.096     -36.088     -16.992   2.92 0.357 0.643 0.201 1.643     173.246     260.000       6.987    4 
+    240000       48000.00      19.925     -54.875     -34.950   3.63 0.357 0.667 0.394 1.968     180.769     260.000       6.468    4 
+    250000       50000.00      18.700     -46.947     -28.247   2.88 0.357 0.583 0.352 1.159     169.659     260.000       6.698    4 
+    260000       52000.00      22.953     -48.649     -25.696   2.77 0.500 0.533 0.282 2.096     208.244     260.000       6.589    4 
+    270000       54000.00      21.646     -50.368     -28.722   3.29 0.357 0.667 0.342 2.525     196.386     260.000       6.428    4 
+    280000       56000.00      20.754     -51.408     -30.654   1.94 0.429 0.625 0.293 1.452     188.294     260.000       6.963    4 
+    290000       58000.00      25.409     -42.731     -17.321   1.84 0.429 0.600 0.279 1.649     230.526     260.000       6.735    4 
+    300000       60000.00      29.318     -47.150     -17.833   3.34 0.214 0.571 0.188 1.231     265.985     260.000       7.524    4 
+    310000       62000.00      23.723     -45.653     -21.930   2.69 0.286 0.733 0.282 1.358     215.227     260.000       6.886    4 
+    320000       64000.00      24.487     -38.676     -14.189   2.35 0.429 0.455 0.240 0.839     222.160     260.000       7.136    4 
+    330000       66000.00      24.019     -51.145     -27.126   3.08 0.500 0.588 0.249 1.948     217.914     260.000       6.628    4 
+    340000       68000.00      27.526     -48.735     -21.209   2.87 0.357 0.667 0.318 2.171     249.730     260.000       6.696    4 
+    350000       70000.00      27.902     -46.488     -18.586   3.12 0.571 0.636 0.397 1.336     253.138     260.000       6.513    4 
+    360000       72000.00      19.817     -45.228     -25.411   2.85 0.429 0.538 0.290 2.649     179.791     260.000       6.977    4 
+    370000       74000.00      30.433     -45.906     -15.473   2.54 0.429 0.538 0.234 1.563     276.103     260.000       6.634    4 
+    380000       76000.00      26.550     -44.213     -17.663   3.36 0.500 0.611 0.371 1.263     240.872     260.000       6.467    4 
+    390000       78000.00      26.963     -55.038     -28.075   2.58 0.357 0.688 0.287 0.991     244.624     260.000       6.853    4 
+    400000       80000.00      27.561     -42.970     -15.409   2.77 0.357 0.722 0.346 1.510     250.049     260.000       6.699    4 
+    410000       82000.00      26.408     -46.680     -20.272   3.13 0.286 0.600 0.345 1.422     239.583     250.000       6.678    4 
+    420000       84000.00      20.530     -48.575     -28.045   4.19 0.357 0.688 0.276 1.502     186.263     250.000       6.771    4 
+    430000       86000.00      30.904     -53.894     -22.990   2.79 0.500 0.588 0.249 1.372     280.379     250.000       6.743    4 
+    440000       88000.00      23.342     -50.800     -27.457   2.85 0.357 0.688 0.264 1.309     211.774     250.000       6.540    4 
+    450000       90000.00      24.564     -58.072     -33.508   2.88 0.429 0.667 0.283 1.161     222.858     250.000       6.595    4 
+    460000       92000.00      21.628     -60.864     -39.236   3.04 0.500 0.588 0.262 0.806     196.221     250.000       6.720    4 
+    470000       94000.00      21.709     -62.005     -40.295   3.11 0.500 0.696 0.318 1.988     196.959     250.000       6.382    4 
+    480000       96000.00      25.526     -62.200     -36.674   2.76 0.357 0.667 0.339 1.073     231.581     250.000       6.614    4 
+    490000       98000.00      24.614     -54.454     -29.840   3.21 0.429 0.600 0.273 1.236     223.312     250.000       6.436    4 
+    500000      100000.00      19.453     -55.629     -36.176   2.81 0.429 0.667 0.265 1.841     176.491     250.000       6.827    4 
+    510000      102000.00      21.909     -45.776     -23.867   3.67 0.429 0.500 0.341 1.682     198.772     260.000       6.956    4 
+    520000      104000.00      25.820     -40.973     -15.153   5.30 0.071 0.875 0.261 1.858     234.249     260.000       7.997    4 
+    530000      106000.00      23.512     -44.526     -21.014   5.38 0.214 0.625 0.199 4.085     213.309     260.000       7.422    4 
+    540000      108000.00      24.423     -49.718     -25.294   4.35 0.357 0.643 0.269 1.242     221.582     260.000       6.864    4 
+    550000      110000.00      23.035     -41.028     -17.994   5.63 0.143 0.867 0.318 2.462     208.984     260.000       6.763    4 
+    560000      112000.00      25.886     -49.533     -23.647   6.29 0.143 0.846 0.346 1.548     234.850     260.000       6.633    4 
+    570000      114000.00      27.232     -53.328     -26.097   3.89 0.357 0.722 0.258 0.999     247.059     260.000       6.820    4 
+    580000      116000.00      25.333     -42.123     -16.790   7.66 0.214 0.625 0.170 2.357     229.833     260.000       9.306    4 
+    590000      118000.00      27.750     -47.372     -19.622   5.07 0.357 0.688 0.327 1.356     251.761     260.000       6.586    4 
+    600000      120000.00      22.372     -49.825     -27.453   4.78 0.286 0.765 0.302 1.942     202.973     260.000       6.633    4 
+    610000      122000.00      28.737     -56.585     -27.848   3.91 0.286 0.750 0.301 1.518     260.715     260.000       6.587    4 
+    620000      124000.00      25.914     -26.586      -0.672   4.49 0.143 0.833 0.352 1.909     235.107     260.000       6.981    4 
+    630000      126000.00      26.601     -47.941     -21.340   4.22 0.286 0.636 0.347 1.290     241.337     260.000       6.838    4 
+    640000      128000.00      25.388     -47.203     -21.815   4.68 0.143 0.833 0.322 2.236     230.334     260.000       7.110    4 
+    650000      130000.00      31.710     -32.824      -1.115   6.73 0.143 0.714 0.234 0.890     287.686     260.000       9.094    4 
+    660000      132000.00      24.467     -51.626     -27.159   6.38 0.143 0.846 0.294 1.399     221.975     260.000       7.293    4 
+    670000      134000.00      25.227     -50.443     -25.216   4.54 0.286 0.667 0.254 1.001     228.873     260.000       6.977    4 
+    680000      136000.00      25.636     -41.222     -15.586   6.12 0.214 0.700 0.305 1.164     232.586     260.000       7.316    4 
+    690000      138000.00      25.343     -55.550     -30.207   3.57 0.429 0.571 0.224 1.002     229.927     260.000       6.951    4 
+    700000      140000.00      23.901     -42.885     -18.984   6.78 0.357 0.667 0.279 1.161     216.841     260.000       6.377    4 
+    710000      142000.00      27.326     -35.587      -8.261   4.91 0.286 0.600 0.241 0.934     247.912     280.000       7.400    4 
+    720000      144000.00      26.886     -39.533     -12.647   5.25 0.214 0.700 0.300 1.460     243.922     280.000       7.067    4 
+    730000      146000.00      32.272     -39.137      -6.865   4.97 0.214 0.500 0.182 2.530     292.784     280.000       7.664    4 
+    740000      148000.00      21.654     -35.138     -13.483   4.21 0.143 0.818 0.302 1.992     196.458     280.000       7.261    4 
+    750000      150000.00      26.771     -41.122     -14.351   4.83 0.357 0.545 0.227 2.426     242.878     280.000       7.082    4 
+    760000      152000.00      36.968     -47.411     -10.443   6.00 0.143 0.833 0.269 1.237     335.394     280.000       6.642    4 
+    770000      154000.00      28.619     -25.152       3.467   6.08 0.286 0.636 0.211 0.879     259.643     280.000       7.717    4 
+    780000      156000.00      29.345     -43.002     -13.657   3.68 0.500 0.588 0.334 1.443     266.237     280.000       6.373    4 
+    790000      158000.00      32.521     -33.479      -0.958   2.96 0.214 0.625 0.250 1.172     295.048     280.000       7.347    4 
+    800000      160000.00      30.208     -51.764     -21.557   3.96 0.286 0.714 0.416 1.737     274.062     280.000       6.435    4 
+    810000      162000.00      26.469     -33.810      -7.341   3.78 0.286 0.636 0.298 1.756     240.145     280.000       8.120    4 
+    820000      164000.00      24.831     -30.658      -5.828   3.83 0.286 0.667 0.341 2.022     225.275     280.000       6.771    4 
+    830000      166000.00      26.360     -43.162     -16.802   3.35 0.286 0.714 0.253 0.668     239.154     280.000       6.736    4 
+    840000      168000.00      22.773     -39.515     -16.743   3.40 0.500 0.588 0.342 1.358     206.605     280.000       7.733    4 
+    850000      170000.00      21.729     -54.626     -32.897   3.51 0.429 0.667 0.341 1.781     197.139     280.000       6.729    4 
+    860000      172000.00      29.046     -39.577     -10.531   3.76 0.286 0.667 0.273 1.655     263.525     280.000       6.866    4 
+    870000      174000.00      33.468     -47.489     -14.021   3.11 0.357 0.545 0.277 1.525     303.641     280.000       6.609    4 
+    880000      176000.00      28.462     -34.666      -6.204   2.47 0.286 0.733 0.264 2.463     258.220     280.000       6.781    4 
+    890000      178000.00      24.142     -42.235     -18.093   2.65 0.357 0.667 0.306 2.317     219.026     280.000       6.450    4 
+    900000      180000.00      28.385     -25.386       2.998   3.89 0.286 0.600 0.232 2.596     257.520     280.000       7.314    4 
+    910000      182000.00      28.045     -34.337      -6.292   3.10 0.429 0.600 0.324 2.433     254.439     290.000       6.384    4 
+    920000      184000.00      19.434     -39.053     -19.619   2.90 0.571 0.429 0.409 1.874     176.311     290.000       6.753    4 
+    930000      186000.00      23.997     -33.392      -9.395   5.01 0.143 0.778 0.273 2.004     217.717     290.000       8.154    4 
+    940000      188000.00      29.329     -45.240     -15.912   3.71 0.214 0.750 0.386 2.166     266.083     290.000       6.953    4 
+    950000      190000.00      29.142     -39.840     -10.698   4.15 0.286 0.692 0.273 1.492     264.391     290.000       7.200    4 
+    960000      192000.00      24.260     -37.297     -13.037   5.25 0.214 0.786 0.260 1.582     220.104     290.000       7.262    4 
+    970000      194000.00      28.193     -37.763      -9.570   5.04 0.214 0.769 0.290 1.025     255.781     290.000       6.818    4 
+    980000      196000.00      27.845     -30.678      -2.833   4.26 0.214 0.571 0.344 2.823     252.624     290.000       7.039    4 
+    990000      198000.00      32.417     -25.653       6.764   4.96 0.143 0.600 0.200 2.478     294.101     290.000       7.558    4 
+   1000000      200000.00      35.195     -29.268       5.927   2.65 0.500 0.500 0.282 3.578     319.308     290.000       6.599    4 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB005.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB005.stat
index ba10841..64f1dde 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB005.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB005.stat
@@ -1,101 +1,101 @@
-         0           0.00      28.834      21.377      50.211  12.87 0.000   NaN   NaN 0.938     261.597     260.000      15.552    5 
-     10000        2000.00      18.791     -44.684     -25.893   3.96 0.286 0.714 0.299 1.410     170.480     260.000       6.595    5 
-     20000        4000.00      23.457     -47.735     -24.278   3.97 0.143 0.778 0.258 1.126     212.818     260.000       7.200    5 
-     30000        6000.00      36.544     -42.337      -5.792   4.80 0.143 0.818 0.421 1.996     331.551     260.000       6.918    5 
-     40000        8000.00      25.427     -56.766     -31.339   4.72 0.429 0.500 0.333 1.302     230.684     260.000       6.708    5 
-     50000       10000.00      26.624     -42.678     -16.054   4.69 0.357 0.688 0.364 1.564     241.550     260.000       6.486    5 
-     60000       12000.00      24.778     -45.455     -20.677   3.36 0.143 0.818 0.360 1.499     224.798     260.000       6.503    5 
-     70000       14000.00      20.795     -62.547     -41.752   2.81 0.357 0.737 0.380 2.888     188.663     260.000       6.388    5 
-     80000       16000.00      24.594     -42.821     -18.227   3.54 0.286 0.667 0.405 1.271     223.130     260.000       6.534    5 
-     90000       18000.00      28.209     -59.615     -31.405   3.09 0.357 0.545 0.289 1.231     255.929     260.000       6.702    5 
-    100000       20000.00      28.645     -55.158     -26.513   3.06 0.357 0.643 0.312 1.640     259.883     260.000       6.425    5 
-    110000       22000.00      26.276     -44.893     -18.617   3.05 0.571 0.619 0.325 2.910     238.392     260.000       6.490    5 
-    120000       24000.00      29.842     -51.139     -21.297   4.14 0.143 0.846 0.343 1.084     270.740     260.000       6.713    5 
-    130000       26000.00      26.783     -52.657     -25.874   3.22 0.286 0.636 0.289 0.735     242.991     260.000       6.484    5 
-    140000       28000.00      31.878     -58.956     -27.079   3.30 0.500 0.562 0.386 1.831     289.209     260.000       6.331    5 
-    150000       30000.00      22.208     -46.314     -24.106   3.70 0.143 0.818 0.430 1.269     201.484     260.000       7.037    5 
-    160000       32000.00      26.811     -50.949     -24.138   2.83 0.357 0.545 0.202 1.986     243.245     260.000       6.958    5 
-    170000       34000.00      21.610     -59.484     -37.874   2.86 0.429 0.500 0.273 1.214     196.060     260.000       6.769    5 
-    180000       36000.00      31.226     -57.549     -26.323   3.17 0.357 0.583 0.303 1.981     283.302     260.000       6.442    5 
-    190000       38000.00      23.496     -53.968     -30.472   3.58 0.286 0.692 0.248 1.423     213.169     260.000       6.418    5 
-    200000       40000.00      29.886     -58.827     -28.941   3.01 0.500 0.611 0.384 1.721     271.144     260.000       6.586    5 
-    210000       42000.00      29.311     -39.686     -10.376   4.42 0.214 0.750 0.402 1.319     265.922     290.000       7.015    5 
-    220000       44000.00      35.080     -50.000     -14.920   2.58 0.429 0.700 0.357 1.661     318.263     290.000       6.443    5 
-    230000       46000.00      24.591     -46.013     -21.423   2.03 0.429 0.500 0.265 1.075     223.100     290.000       6.986    5 
-    240000       48000.00      24.312     -34.069      -9.757   2.94 0.357 0.500 0.295 3.688     220.570     290.000       6.719    5 
-    250000       50000.00      31.726     -59.812     -28.086   1.83 0.643 0.550 0.270 1.360     287.834     290.000       6.633    5 
-    260000       52000.00      28.491     -42.518     -14.027   3.14 0.286 0.636 0.326 1.546     258.484     290.000       6.617    5 
-    270000       54000.00      24.544     -34.712     -10.168   3.72 0.143 0.667 0.227 2.249     222.672     290.000       8.023    5 
-    280000       56000.00      30.023     -40.301     -10.279   2.05 0.357 0.500 0.268 1.597     272.380     290.000       7.446    5 
-    290000       58000.00      31.360     -29.508       1.852   2.35 0.429 0.333 0.237 3.535     284.515     290.000       7.307    5 
-    300000       60000.00      25.873     -47.112     -21.239   2.13 0.571 0.579 0.249 0.973     234.734     290.000       6.866    5 
-    310000       62000.00      28.293     -55.763     -27.470   1.98 0.500 0.562 0.293 0.961     256.687     290.000       6.694    5 
-    320000       64000.00      25.908     -51.606     -25.698   2.38 0.643 0.500 0.295 2.925     235.046     290.000       6.600    5 
-    330000       66000.00      27.030     -45.210     -18.180   2.56 0.286 0.692 0.290 1.515     245.232     290.000       6.628    5 
-    340000       68000.00      28.484     -53.974     -25.490   2.46 0.357 0.643 0.380 1.101     258.419     290.000       6.429    5 
-    350000       70000.00      28.820     -51.194     -22.373   2.84 0.357 0.615 0.322 1.341     261.471     290.000       6.444    5 
-    360000       72000.00      25.420     -39.739     -14.319   3.72 0.429 0.600 0.400 1.247     230.621     290.000       6.511    5 
-    370000       74000.00      28.059     -36.901      -8.842   4.27 0.214 0.625 0.193 1.901     254.564     290.000       7.866    5 
-    380000       76000.00      24.028     -40.538     -16.510   4.04 0.214 0.667 0.237 0.940     217.995     290.000       7.797    5 
-    390000       78000.00      23.505     -36.054     -12.549   3.51 0.214 0.625 0.210 0.940     213.252     290.000       6.857    5 
-    400000       80000.00      29.247     -38.685      -9.438   4.15 0.286 0.714 0.435 1.163     265.348     290.000       6.802    5 
-    410000       82000.00      34.234     -43.826      -9.592   4.49 0.357 0.500 0.227 1.783     310.592     290.000       7.190    5 
-    420000       84000.00      27.926     -37.985     -10.059   2.83 0.429 0.500 0.231 1.172     253.358     290.000       7.176    5 
-    430000       86000.00      29.763     -40.303     -10.540   2.84 0.357 0.545 0.240 1.303     270.024     290.000       7.202    5 
-    440000       88000.00      26.842     -49.803     -22.961   3.13 0.500 0.500 0.351 1.393     243.528     290.000       6.671    5 
-    450000       90000.00      31.310     -32.678      -1.368   2.96 0.143 0.500 0.159 1.820     284.058     290.000       7.322    5 
-    460000       92000.00      29.638     -39.627      -9.989   3.55 0.286 0.600 0.418 1.069     268.888     290.000       7.343    5 
-    470000       94000.00      29.260     -41.738     -12.477   3.24 0.429 0.500 0.242 1.846     265.465     290.000       7.211    5 
-    480000       96000.00      29.206     -55.400     -26.194   2.63 0.357 0.688 0.375 1.515     264.970     290.000       6.617    5 
-    490000       98000.00      31.517     -38.067      -6.550   5.16 0.286 0.692 0.388 1.726     285.937     290.000       7.754    5 
-    500000      100000.00      33.499     -40.919      -7.420   5.03 0.286 0.556 0.298 2.269     303.919     290.000       7.400    5 
-    510000      102000.00      30.860     -45.884     -15.023   4.54 0.286 0.692 0.238 2.237     279.981     290.000       7.011    5 
-    520000      104000.00      28.649     -40.654     -12.005   4.90 0.214 0.786 0.334 1.356     259.915     290.000       6.934    5 
-    530000      106000.00      27.023     -43.293     -16.271   4.00 0.357 0.500 0.250 2.108     245.165     290.000       6.896    5 
-    540000      108000.00      35.282     -42.490      -7.207   4.35 0.286 0.692 0.280 1.019     320.097     290.000       7.028    5 
-    550000      110000.00      27.746     -41.113     -13.367   2.77 0.143 0.833 0.303 1.609     251.724     290.000       6.625    5 
-    560000      112000.00      39.880     -45.704      -5.824   3.12 0.286 0.600 0.286 1.714     361.813     290.000       6.864    5 
-    570000      114000.00      32.215     -40.787      -8.571   4.72 0.214 0.786 0.370 2.368     292.273     290.000       6.957    5 
-    580000      116000.00      29.177     -47.137     -17.960   3.33 0.357 0.643 0.250 1.651     264.707     290.000       7.102    5 
-    590000      118000.00      33.946     -36.611      -2.665   4.85 0.143 0.818 0.240 1.255     307.979     290.000       7.059    5 
-    600000      120000.00      25.686     -45.887     -20.201   6.06 0.286 0.600 0.205 1.083     233.038     290.000       8.362    5 
-    610000      122000.00      29.008     -30.920      -1.912   3.08 0.357 0.444 0.278 2.487     263.177     300.000       6.676    5 
-    620000      124000.00      24.617     -33.306      -8.690   3.41 0.286 0.556 0.273 1.918     223.335     300.000       6.839    5 
-    630000      126000.00      25.669     -33.605      -7.936   3.19 0.357 0.500 0.373 0.821     232.883     300.000       6.904    5 
-    640000      128000.00      36.455     -27.382       9.073   2.73 0.357 0.444 0.197 1.657     330.739     300.000       7.293    5 
-    650000      130000.00      27.397     -36.688      -9.292   2.88 0.286 0.600 0.277 3.431     248.557     300.000       7.293    5 
-    660000      132000.00      27.809     -34.438      -6.628   6.29 0.143 0.667 0.333 1.851     252.302     300.000       6.928    5 
-    670000      134000.00      28.337     -29.855      -1.518   5.71 0.071 0.800 0.209 1.541     257.084     300.000       8.640    5 
-    680000      136000.00      29.109     -40.955     -11.845   5.41 0.286 0.556 0.298 1.154     264.093     300.000       6.737    5 
-    690000      138000.00      27.737     -23.974       3.762   7.99 0.071 0.889 0.480 1.698     251.642     300.000       7.112    5 
-    700000      140000.00      35.355     -20.479      14.876   7.53 0.000 1.000 0.474 0.978     320.762     300.000       7.234    5 
-    710000      142000.00      28.750      -9.078      19.672   5.29 0.071 0.833 0.455 2.266     260.832     340.000       8.905    5 
-    720000      144000.00      31.324     -20.414      10.910   5.31 0.214 0.571 0.532 2.401     284.192     340.000       7.406    5 
-    730000      146000.00      32.186     -16.463      15.723   5.26 0.000 1.000 0.258 1.234     292.012     340.000       7.548    5 
-    740000      148000.00      38.070      -3.435      34.634   5.21 0.000 1.000 0.191 2.509     345.387     340.000       8.168    5 
-    750000      150000.00      26.052     -20.291       5.760   5.50 0.071 0.857 0.422 2.240     236.354     340.000       7.565    5 
-    760000      152000.00      33.694     -21.543      12.151   5.30 0.071 0.909 0.488 2.804     305.691     340.000       7.378    5 
-    770000      154000.00      33.590     -20.996      12.593   4.15 0.143 0.714 0.377 0.970     304.742     340.000       8.702    5 
-    780000      156000.00      45.846      -8.753      37.093   7.66 0.071 0.750 0.409 1.258     415.936     340.000       9.462    5 
-    790000      158000.00      35.730     -21.776      13.954   5.12 0.214 0.400 0.464 1.411     324.160     340.000       8.646    5 
-    800000      160000.00      23.013     -29.105      -6.093   4.20 0.071 0.889 0.359 2.139     208.782     340.000       7.797    5 
-    810000      162000.00      33.429     -35.755      -2.326   4.40 0.357 0.500 0.450 2.278     303.286     330.000       7.566    5 
-    820000      164000.00      31.829     -22.129       9.700   5.04 0.357 0.500 0.391 2.279     288.767     330.000       7.482    5 
-    830000      166000.00      27.336     -20.738       6.598   5.09 0.143 0.778 0.348 2.061     248.002     330.000       6.977    5 
-    840000      168000.00      36.208     -29.146       7.062   4.68 0.143 0.778 0.394 1.455     328.495     330.000       7.726    5 
-    850000      170000.00      43.420     -20.322      23.099   4.23 0.214 0.667 0.434 2.034     393.932     330.000       7.263    5 
-    860000      172000.00      28.866     -23.481       5.384   4.70 0.071 0.875 0.562 1.725     261.883     330.000       6.856    5 
-    870000      174000.00      33.636     -35.717      -2.081   4.79 0.357 0.444 0.364 1.297     305.165     330.000       7.270    5 
-    880000      176000.00      37.874     -13.394      24.480   6.60 0.143 0.667 0.242 2.161     343.610     330.000       9.334    5 
-    890000      178000.00      30.941     -17.309      13.633   7.10 0.071 0.750 0.182 1.064     280.715     330.000      10.297    5 
-    900000      180000.00      36.760      -6.308      30.452   5.36 0.071 0.833 0.280 1.553     333.508     330.000       7.143    5 
-    910000      182000.00      34.140       3.436      37.576   5.38 0.000 1.000 0.409 2.747     309.732     360.000       8.850    5 
-    920000      184000.00      33.707     -11.522      22.185   5.90 0.000 1.000 0.318 2.529     305.812     360.000       9.883    5 
-    930000      186000.00      34.110      -0.766      33.344   5.90 0.000   NaN   NaN 1.582     309.468     360.000      10.534    5 
-    940000      188000.00      26.744      -4.914      21.830   9.97 0.000   NaN   NaN 2.197     242.635     360.000      13.702    5 
-    950000      190000.00      34.112     -10.339      23.773   5.23 0.143 0.333 0.182 1.343     309.482     360.000       8.489    5 
-    960000      192000.00      31.906       7.066      38.972   5.32 0.000 1.000 0.242 1.378     289.469     360.000      10.007    5 
-    970000      194000.00      41.170      -1.291      39.879   7.93 0.000   NaN   NaN 1.425     373.514     360.000      11.644    5 
-    980000      196000.00      32.249     -12.348      19.901   4.13 0.071 0.800 0.355 1.271     292.581     360.000       8.506    5 
-    990000      198000.00      40.554     -17.576      22.978   7.94 0.000 1.000 0.182 1.420     367.926     360.000      11.580    5 
-   1000000      200000.00      40.729     -30.884       9.845   4.62 0.071 0.909 0.368 1.805     369.515     360.000       7.796    5 
+         0           0.00      31.369      24.969      56.339  12.87 0.000   NaN   NaN 0.709     284.600     270.000      15.552    5 
+     10000        2000.00      23.814     -44.873     -21.059   5.47 0.214 0.750 0.269 1.533     216.057     270.000       6.818    5 
+     20000        4000.00      25.352     -40.035     -14.682   4.12 0.286 0.667 0.258 1.447     230.011     270.000       7.064    5 
+     30000        6000.00      25.892     -36.766     -10.874   4.30 0.143 0.778 0.465 1.277     234.906     270.000       6.923    5 
+     40000        8000.00      25.755     -46.703     -20.949   4.44 0.214 0.800 0.412 1.207     233.660     270.000       7.021    5 
+     50000       10000.00      26.501     -41.536     -15.035   3.94 0.071 0.900 0.391 1.015     240.428     270.000       7.323    5 
+     60000       12000.00      27.158     -43.205     -16.047   4.17 0.286 0.692 0.444 1.989     246.392     270.000       7.182    5 
+     70000       14000.00      21.920     -40.750     -18.830   5.88 0.143 0.800 0.295 1.487     198.873     270.000       7.007    5 
+     80000       16000.00      22.457     -46.986     -24.529   4.47 0.071 0.917 0.314 1.238     203.745     270.000       6.689    5 
+     90000       18000.00      20.636     -41.246     -20.610   4.02 0.143 0.818 0.380 1.936     187.222     270.000       6.983    5 
+    100000       20000.00      26.708     -38.136     -11.428   3.88 0.214 0.750 0.383 1.285     242.308     270.000       7.340    5 
+    110000       22000.00      39.516      -1.135      38.381   5.55 0.143 0.333 0.227 1.765     358.510     330.000       9.306    5 
+    120000       24000.00      34.133       4.552      38.685   7.48 0.000 1.000 0.295 1.979     309.671     330.000      11.247    5 
+    130000       26000.00      37.095       0.351      37.447   7.13 0.071 0.000 0.136 1.936     336.549     330.000      11.709    5 
+    140000       28000.00      35.847      -8.917      26.931   5.56 0.000 1.000 0.500 1.927     325.225     330.000      10.005    5 
+    150000       30000.00      33.618      -9.621      23.997   9.24 0.214 0.500 0.167 1.580     305.000     330.000      11.288    5 
+    160000       32000.00      35.628      -4.080      31.548   7.98 0.071 0.667 0.197 2.607     323.233     330.000      11.235    5 
+    170000       34000.00      30.182     -10.620      19.562   5.78 0.000 1.000 0.182 2.725     273.829     330.000      10.086    5 
+    180000       36000.00      35.169     -11.656      23.513   6.37 0.071 0.667 0.242 3.172     319.070     330.000       8.783    5 
+    190000       38000.00      31.427      -4.134      27.292   7.98 0.000   NaN   NaN 0.816     285.120     330.000      12.952    5 
+    200000       40000.00      38.941     -13.311      25.630   6.82 0.000 1.000 0.227 2.138     353.294     330.000      10.026    5 
+    210000       42000.00      30.075     -12.320      17.755   5.17 0.071 0.833 0.311 1.550     272.855     330.000       8.510    5 
+    220000       44000.00      33.299     -10.163      23.136   4.33 0.071 0.667 0.515 3.820     302.104     330.000       8.228    5 
+    230000       46000.00      34.451     -12.062      22.388   5.16 0.071 0.500 0.409 1.753     312.553     330.000       8.924    5 
+    240000       48000.00      30.971      -6.623      24.347   7.38 0.000 1.000 0.341 2.555     280.982     330.000       8.171    5 
+    250000       50000.00      32.766      -7.312      25.453  11.43 0.143 0.000 0.136 2.818     297.268     330.000      13.724    5 
+    260000       52000.00      37.402     -22.558      14.843   5.84 0.000 1.000 0.682 1.266     339.327     330.000       7.840    5 
+    270000       54000.00      39.790     -12.886      26.904   6.77 0.071 0.667 0.273 1.138     360.994     330.000       8.968    5 
+    280000       56000.00      28.881     -27.181       1.700   3.76 0.357 0.615 0.301 2.458     262.026     330.000       7.639    5 
+    290000       58000.00      31.354      -9.216      22.138   5.39 0.000 1.000 0.445 1.376     284.462     330.000       8.159    5 
+    300000       60000.00      33.071     -11.940      21.131   5.67 0.143 0.667 0.258 1.808     300.041     330.000       7.820    5 
+    310000       62000.00      34.472     -23.769      10.703   6.98 0.000 1.000 0.420 1.517     312.745     330.000       8.214    5 
+    320000       64000.00      29.516     -14.787      14.729   5.82 0.071 0.900 0.305 1.365     267.783     330.000       7.311    5 
+    330000       66000.00      41.952     -16.930      25.022   6.00 0.071 0.833 0.515 1.378     380.613     330.000       7.487    5 
+    340000       68000.00      29.572      -9.046      20.526  10.63 0.000   NaN   NaN 0.936     268.289     330.000      12.819    5 
+    350000       70000.00      30.641      -5.917      24.724   8.55 0.071 0.000 0.136 1.261     277.992     330.000      12.222    5 
+    360000       72000.00      29.388      -2.168      27.220   7.36 0.071 0.889 0.379 1.977     266.624     330.000       6.995    5 
+    370000       74000.00      40.273      -1.709      38.564   5.58 0.071 0.750 0.182 1.024     365.376     330.000      10.330    5 
+    380000       76000.00      24.350      -8.666      15.684   5.30 0.071 0.833 0.500 1.796     220.913     330.000       7.428    5 
+    390000       78000.00      30.918     -19.854      11.064   6.82 0.071 0.900 0.445 1.839     280.502     330.000       7.028    5 
+    400000       80000.00      32.910     -10.642      22.269   6.92 0.000 1.000 0.348 1.034     298.581     330.000       7.780    5 
+    410000       82000.00      33.575       1.076      34.651   7.15 0.000   NaN   NaN 1.393     304.607     330.000      10.986    5 
+    420000       84000.00      29.417     -10.985      18.432   5.67 0.071 0.000 0.136 1.706     266.882     330.000       9.440    5 
+    430000       86000.00      26.364      -7.196      19.168   4.80 0.000 1.000 0.250 1.734     239.185     330.000       8.912    5 
+    440000       88000.00      36.479     -17.152      19.327   5.17 0.143 0.714 0.305 1.457     330.956     330.000       7.843    5 
+    450000       90000.00      30.144     -16.646      13.498   3.88 0.214 0.625 0.358 1.226     273.481     330.000       7.932    5 
+    460000       92000.00      32.604      -3.314      29.290   7.84 0.000 1.000 0.159 3.284     295.804     330.000      12.419    5 
+    470000       94000.00      28.230     -29.765      -1.534   4.66 0.357 0.583 0.314 1.326     256.120     330.000       7.388    5 
+    480000       96000.00      29.296     -24.590       4.707   3.42 0.286 0.692 0.332 1.360     265.790     330.000       7.477    5 
+    490000       98000.00      31.964     -10.319      21.645   8.77 0.071 0.750 0.170 1.861     289.990     330.000      10.930    5 
+    500000      100000.00      35.464     -11.887      23.578   6.25 0.143 0.778 0.384 2.690     321.750     330.000       7.061    5 
+    510000      102000.00      35.122      -9.415      25.707   5.33 0.071 0.667 0.455 1.341     318.642     350.000       8.157    5 
+    520000      104000.00      28.230     -12.071      16.158   5.04 0.071 0.909 0.339 1.849     256.113     350.000       7.288    5 
+    530000      106000.00      42.097      -0.040      42.057   8.22 0.000 1.000 0.288 2.385     381.923     350.000       9.394    5 
+    540000      108000.00      31.865       1.590      33.456   8.93 0.071 0.500 0.136 2.236     289.097     350.000      11.840    5 
+    550000      110000.00      30.475      -1.465      29.010   5.24 0.071 0.833 0.477 1.518     276.483     350.000       7.288    5 
+    560000      112000.00      40.926      -6.831      34.095   7.13 0.071 0.500 0.136 1.121     371.299     350.000      11.206    5 
+    570000      114000.00      39.453     -15.263      24.189   4.19 0.143 0.500 0.500 1.999     357.937     350.000       7.918    5 
+    580000      116000.00      38.420       6.591      45.011   6.53 0.000 1.000 0.197 1.365     348.565     350.000       8.886    5 
+    590000      118000.00      33.877      10.975      44.852  10.96 0.000   NaN   NaN 3.536     307.353     350.000      14.230    5 
+    600000      120000.00      31.210     -15.730      15.480   4.81 0.143 0.600 0.418 1.936     283.157     350.000       9.242    5 
+    610000      122000.00      36.149       0.267      36.416   4.27 0.071 0.800 0.318 1.649     327.964     350.000       7.871    5 
+    620000      124000.00      34.482      -3.615      30.867   6.62 0.000 1.000 0.205 1.337     312.840     350.000       9.742    5 
+    630000      126000.00      44.361      -2.238      42.123   5.32 0.071 0.000 0.136 3.590     402.464     350.000       9.604    5 
+    640000      128000.00      31.999      -2.673      29.326   5.91 0.000   NaN   NaN 1.918     290.315     350.000      10.874    5 
+    650000      130000.00      34.291      -8.913      25.378   6.60 0.071 0.750 0.193 2.205     311.107     350.000       8.911    5 
+    660000      132000.00      24.642     -23.777       0.865   5.46 0.143 0.600 0.182 1.051     223.562     350.000       8.504    5 
+    670000      134000.00      28.105       8.436      36.541   6.89 0.000   NaN   NaN 2.092     254.980     350.000       9.864    5 
+    680000      136000.00      35.144       2.012      37.156   5.73 0.143 0.333 0.212 1.686     318.845     350.000       8.992    5 
+    690000      138000.00      35.386      -4.802      30.584   5.89 0.000 1.000 0.182 2.090     321.040     350.000      10.207    5 
+    700000      140000.00      26.835      -0.130      26.706  10.13 0.143 0.333 0.152 2.030     243.464     350.000      13.250    5 
+    710000      142000.00      38.441       4.599      43.039   7.00 0.071 0.833 0.167 2.778     348.755     350.000      10.434    5 
+    720000      144000.00      34.381      -8.493      25.888   6.33 0.071 0.750 0.227 2.166     311.918     350.000       8.522    5 
+    730000      146000.00      31.832      -6.506      25.326   5.33 0.071 0.833 0.265 2.488     288.799     350.000       8.509    5 
+    740000      148000.00      38.328     -15.990      22.338   5.65 0.143 0.714 0.325 3.248     347.732     350.000       7.553    5 
+    750000      150000.00      36.143      -7.442      28.700   5.44 0.071 0.500 0.159 1.386     327.905     350.000      10.348    5 
+    760000      152000.00      34.948       4.363      39.311   6.11 0.071 0.667 0.273 1.917     317.067     350.000       8.824    5 
+    770000      154000.00      31.066      -8.189      22.877   5.52 0.000 1.000 0.727 3.579     281.850     350.000       8.066    5 
+    780000      156000.00      36.652      -2.006      34.645   5.42 0.000 1.000 0.500 1.441     332.523     350.000       8.929    5 
+    790000      158000.00      38.618     -15.722      22.896   7.38 0.071 0.750 0.273 2.230     350.362     350.000       8.060    5 
+    800000      160000.00      42.399      -7.891      34.508   6.46 0.000 1.000 0.500 3.046     384.669     350.000       9.865    5 
+    810000      162000.00      33.383      -5.845      27.539   6.11 0.143 0.500 0.295 1.647     302.872     350.000       9.997    5 
+    820000      164000.00      39.613       1.213      40.825  11.05 0.000   NaN   NaN 2.931     359.387     350.000      14.831    5 
+    830000      166000.00      35.241     -17.416      17.825   5.80 0.000 1.000 0.483 2.198     319.723     350.000       7.170    5 
+    840000      168000.00      27.844     -10.661      17.183  10.06 0.214 0.000 0.136 2.104     252.611     350.000      13.644    5 
+    850000      170000.00      33.793     -14.980      18.812   5.66 0.071 0.875 0.347 2.076     306.585     350.000       7.093    5 
+    860000      172000.00      38.302      -9.591      28.711   4.87 0.214 0.500 0.311 1.141     347.496     350.000       7.360    5 
+    870000      174000.00      35.220      -8.881      26.339   4.87 0.000 1.000 0.523 1.390     319.531     350.000       8.023    5 
+    880000      176000.00      24.988      -2.593      22.396   5.96 0.000 1.000 0.182 2.319     226.707     350.000       8.486    5 
+    890000      178000.00      35.523      -5.002      30.520   4.23 0.071 0.833 0.447 2.024     322.283     350.000       8.254    5 
+    900000      180000.00      29.923       1.561      31.484   6.57 0.000 1.000 0.591 1.836     271.475     350.000      10.389    5 
+    910000      182000.00      46.051      21.209      67.260   9.02 0.071 0.000 0.136 3.836     417.794     400.000      11.662    5 
+    920000      184000.00      36.228      12.371      48.600   6.42 0.000 1.000 0.136 3.926     328.683     400.000      10.645    5 
+    930000      186000.00      33.223       2.477      35.700   7.70 0.143 0.500 0.182 1.567     301.420     400.000       9.415    5 
+    940000      188000.00      42.051       2.749      44.800   5.76 0.143 0.500 0.455 1.899     381.504     400.000       8.494    5 
+    950000      190000.00      40.463      -5.627      34.835   6.42 0.071 0.667 0.545 1.813     367.100     400.000       8.146    5 
+    960000      192000.00      36.136      15.258      51.394   9.59 0.000   NaN   NaN 2.831     327.844     400.000      13.078    5 
+    970000      194000.00      46.790       6.958      53.748   4.62 0.071 0.000 0.182 2.033     424.505     400.000       8.871    5 
+    980000      196000.00      35.957       0.880      36.837   4.24 0.143 0.600 0.400 1.609     326.223     400.000       7.403    5 
+    990000      198000.00      48.233       1.057      49.290   6.00 0.143 0.600 0.318 1.895     437.598     400.000       7.731    5 
+   1000000      200000.00      40.483      -4.377      36.106   5.16 0.000 1.000 0.682 0.906     367.285     400.000       8.712    5 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB006.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB006.stat
index cf6735d..4af5ac3 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB006.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB006.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.790      21.377      55.167  12.87 0.000   NaN   NaN 0.938     306.563     260.000      15.552    6 
-     10000        2000.00      19.642     -49.823     -30.181   3.49 0.429 0.538 0.364 1.341     178.204     260.000       6.551    6 
-     20000        4000.00      24.050     -41.853     -17.804   2.88 0.286 0.714 0.399 1.251     218.190     260.000       6.940    6 
-     30000        6000.00      23.620     -49.578     -25.958   3.89 0.286 0.800 0.345 1.256     214.295     260.000       6.091    6 
-     40000        8000.00      24.305     -57.180     -32.875   2.77 0.214 0.727 0.347 1.733     220.510     260.000       6.831    6 
-     50000       10000.00      26.582     -44.209     -17.627   3.87 0.357 0.688 0.415 1.463     241.168     260.000       6.803    6 
-     60000       12000.00      24.932     -47.981     -23.048   2.80 0.286 0.692 0.301 1.507     226.199     260.000       6.839    6 
-     70000       14000.00      35.252     -63.491     -28.238   2.64 0.571 0.619 0.329 1.428     319.828     260.000       6.757    6 
-     80000       16000.00      29.092     -59.559     -30.467   2.48 0.286 0.750 0.241 1.697     263.938     260.000       6.555    6 
-     90000       18000.00      19.997     -60.981     -40.984   2.62 0.286 0.765 0.294 2.049     181.419     260.000       6.623    6 
-    100000       20000.00      26.615     -62.751     -36.136   2.74 0.500 0.588 0.307 1.408     241.469     260.000       6.597    6 
-    110000       22000.00      26.634     -50.303     -23.669   3.09 0.286 0.714 0.253 0.983     241.636     260.000       7.135    6 
-    120000       24000.00      25.362     -62.945     -37.583   2.84 0.500 0.611 0.301 1.994     230.098     260.000       6.739    6 
-    130000       26000.00      30.163     -66.451     -36.288   2.73 0.571 0.636 0.343 1.482     273.655     260.000       6.891    6 
-    140000       28000.00      27.681     -59.023     -31.342   2.74 0.286 0.692 0.192 1.117     251.133     260.000       7.198    6 
-    150000       30000.00      24.720     -62.259     -37.539   2.71 0.286 0.750 0.253 0.911     224.273     260.000       6.728    6 
-    160000       32000.00      24.380     -51.063     -26.683   2.64 0.214 0.786 0.292 2.801     221.192     260.000       6.557    6 
-    170000       34000.00      25.341     -62.129     -36.787   2.39 0.286 0.667 0.273 1.452     229.910     260.000       6.816    6 
-    180000       36000.00      25.380     -65.652     -40.273   2.63 0.429 0.571 0.269 1.173     230.256     260.000       6.932    6 
-    190000       38000.00      24.116     -60.461     -36.345   2.90 0.286 0.714 0.286 2.356     218.794     260.000       6.786    6 
-    200000       40000.00      22.569     -58.003     -35.434   3.58 0.286 0.733 0.212 1.152     204.755     260.000       7.194    6 
-    210000       42000.00      26.577     -70.071     -43.493   3.79 0.143 0.857 0.218 0.690     241.122     250.000       7.358    6 
-    220000       44000.00      28.037     -64.165     -36.128   3.31 0.357 0.706 0.286 1.647     254.371     250.000       6.696    6 
-    230000       46000.00      24.757     -65.752     -40.995   3.07 0.143 0.846 0.245 0.865     224.604     250.000       6.918    6 
-    240000       48000.00      21.319     -62.495     -41.176   3.40 0.286 0.692 0.217 2.006     193.420     250.000       6.876    6 
-    250000       50000.00      22.360     -67.482     -45.122   2.92 0.286 0.750 0.335 1.515     202.866     250.000       6.769    6 
-    260000       52000.00      27.416     -69.280     -41.864   2.71 0.571 0.636 0.304 1.234     248.731     250.000       6.398    6 
-    270000       54000.00      20.724     -66.467     -45.742   2.71 0.500 0.562 0.230 2.367     188.023     250.000       6.717    6 
-    280000       56000.00      23.352     -61.249     -37.897   2.78 0.286 0.733 0.239 2.908     211.861     250.000       6.755    6 
-    290000       58000.00      26.731     -68.789     -42.058   2.73 0.571 0.600 0.241 1.619     242.514     250.000       6.540    6 
-    300000       60000.00      27.919     -67.507     -39.588   2.76 0.286 0.765 0.313 1.358     253.292     250.000       6.256    6 
-    310000       62000.00      27.565     -67.329     -39.764   2.73 0.429 0.647 0.257 1.533     250.084     250.000       6.698    6 
-    320000       64000.00      23.567     -65.150     -41.583   2.29 0.286 0.692 0.297 1.042     213.814     250.000       6.912    6 
-    330000       66000.00      23.329     -65.641     -42.312   2.77 0.500 0.500 0.231 1.017     211.655     250.000       6.870    6 
-    340000       68000.00      18.410     -67.515     -49.105   2.90 0.357 0.667 0.315 1.758     167.027     250.000       6.786    6 
-    350000       70000.00      21.960     -56.823     -34.863   2.91 0.143 0.846 0.210 1.734     199.234     250.000       7.092    6 
-    360000       72000.00      24.966     -76.805     -51.839   2.78 0.500 0.562 0.270 1.260     226.503     250.000       6.516    6 
-    370000       74000.00      29.851     -57.235     -27.384   2.86 0.357 0.615 0.329 3.547     270.821     250.000       6.812    6 
-    380000       76000.00      25.317     -64.676     -39.359   3.68 0.286 0.733 0.255 1.733     229.693     250.000       6.833    6 
-    390000       78000.00      25.970     -66.294     -40.324   4.80 0.357 0.667 0.221 1.816     235.609     250.000       6.851    6 
-    400000       80000.00      27.749     -62.402     -34.653   4.84 0.357 0.750 0.234 1.734     251.750     250.000       6.893    6 
-    410000       82000.00      22.691     -61.124     -38.434   4.52 0.286 0.778 0.263 1.431     205.863     250.000       6.930    6 
-    420000       84000.00      21.332     -64.764     -43.433   5.09 0.143 0.882 0.246 1.780     193.534     250.000       6.978    6 
-    430000       86000.00      22.209     -56.530     -34.321   4.45 0.214 0.824 0.262 1.352     201.490     250.000       6.555    6 
-    440000       88000.00      22.784     -64.945     -42.161   4.64 0.286 0.750 0.216 1.905     206.711     250.000       6.796    6 
-    450000       90000.00      17.605     -65.721     -48.116   4.69 0.286 0.714 0.234 1.405     159.725     250.000       6.986    6 
-    460000       92000.00      32.843     -61.501     -28.658   4.79 0.214 0.800 0.224 1.090     297.971     250.000       7.253    6 
-    470000       94000.00      25.618     -63.143     -37.525   4.98 0.286 0.667 0.212 1.776     232.419     250.000       7.249    6 
-    480000       96000.00      24.652     -66.340     -41.687   4.49 0.286 0.778 0.270 1.572     223.659     250.000       6.541    6 
-    490000       98000.00      27.124     -64.631     -37.507   4.62 0.214 0.769 0.231 1.336     246.079     250.000       6.788    6 
-    500000      100000.00      21.581     -61.679     -40.098   5.29 0.214 0.786 0.253 1.709     195.798     250.000       7.187    6 
-    510000      102000.00      26.639     -69.165     -42.525   4.50 0.214 0.833 0.235 1.813     241.686     250.000       6.752    6 
-    520000      104000.00      27.760     -66.003     -38.243   4.53 0.143 0.875 0.241 0.938     251.851     250.000       6.996    6 
-    530000      106000.00      25.586     -64.789     -39.203   4.35 0.286 0.778 0.237 1.383     232.128     250.000       6.536    6 
-    540000      108000.00      22.476     -72.039     -49.563   4.47 0.143 0.846 0.262 0.795     203.918     250.000       6.784    6 
-    550000      110000.00      28.297     -65.867     -37.571   4.57 0.357 0.706 0.257 1.623     256.722     250.000       6.799    6 
-    560000      112000.00      26.441     -61.908     -35.467   4.96 0.286 0.733 0.267 1.121     239.888     250.000       6.985    6 
-    570000      114000.00      26.450     -61.628     -35.178   4.67 0.357 0.722 0.240 2.885     239.965     250.000       6.889    6 
-    580000      116000.00      21.015     -58.904     -37.889   4.85 0.286 0.692 0.245 2.909     190.656     250.000       6.923    6 
-    590000      118000.00      24.731     -61.487     -36.756   4.43 0.357 0.688 0.250 2.834     224.373     250.000       6.786    6 
-    600000      120000.00      18.746     -62.901     -44.155   4.41 0.143 0.833 0.223 2.423     170.076     250.000       6.747    6 
-    610000      122000.00      28.216     -57.879     -29.663   4.64 0.286 0.733 0.233 3.003     255.990     250.000       7.175    6 
-    620000      124000.00      25.697     -67.333     -41.636   4.61 0.214 0.786 0.276 2.426     233.136     250.000       6.991    6 
-    630000      126000.00      31.688     -48.104     -16.416   4.93 0.357 0.667 0.236 2.106     287.494     250.000       7.018    6 
-    640000      128000.00      25.552     -63.368     -37.816   4.65 0.071 0.909 0.260 1.927     231.822     250.000       6.844    6 
-    650000      130000.00      20.529     -67.019     -46.490   4.49 0.286 0.714 0.205 1.559     186.247     250.000       6.810    6 
-    660000      132000.00      20.212     -70.238     -50.026   4.64 0.214 0.812 0.267 1.733     183.375     250.000       6.711    6 
-    670000      134000.00      25.716     -55.397     -29.681   4.62 0.143 0.833 0.277 1.063     233.306     250.000       6.748    6 
-    680000      136000.00      21.687     -71.896     -50.209   4.52 0.286 0.765 0.238 1.273     196.754     250.000       6.615    6 
-    690000      138000.00      29.747     -59.994     -30.246   4.68 0.143 0.833 0.220 1.433     269.882     250.000       6.964    6 
-    700000      140000.00      27.882     -63.278     -35.395   4.29 0.214 0.769 0.262 1.603     252.961     250.000       6.852    6 
-    710000      142000.00      21.389     -67.414     -46.024   4.71 0.143 0.846 0.224 2.417     194.057     250.000       7.099    6 
-    720000      144000.00      19.783     -65.655     -45.872   4.45 0.286 0.733 0.230 1.305     179.486     250.000       6.813    6 
-    730000      146000.00      28.331     -63.702     -35.371   4.55 0.071 0.929 0.266 0.952     257.036     250.000       6.482    6 
-    740000      148000.00      22.890     -63.858     -40.968   4.58 0.286 0.714 0.208 1.813     207.673     250.000       7.087    6 
-    750000      150000.00      25.343     -62.527     -37.183   4.63 0.357 0.706 0.233 1.288     229.928     250.000       7.013    6 
-    760000      152000.00      24.547     -73.727     -49.180   4.69 0.214 0.800 0.252 1.822     222.702     250.000       6.828    6 
-    770000      154000.00      24.314     -62.665     -38.350   4.46 0.286 0.765 0.243 0.785     220.594     250.000       6.659    6 
-    780000      156000.00      26.506     -75.979     -49.473   4.10 0.286 0.778 0.303 1.355     240.476     250.000       6.522    6 
-    790000      158000.00      25.261     -66.834     -41.573   5.00 0.357 0.722 0.247 1.979     229.181     250.000       6.814    6 
-    800000      160000.00      19.155     -70.112     -50.957   4.69 0.357 0.688 0.230 1.458     173.784     250.000       6.757    6 
-    810000      162000.00      21.400     -72.670     -51.270   5.07 0.429 0.625 0.227 0.874     194.155     250.000       7.140    6 
-    820000      164000.00      30.507     -64.567     -34.060   5.35 0.214 0.812 0.259 1.361     276.777     250.000       7.197    6 
-    830000      166000.00      28.950     -66.684     -37.734   4.41 0.286 0.714 0.237 1.408     262.651     250.000       6.686    6 
-    840000      168000.00      19.400     -66.382     -46.982   4.76 0.357 0.750 0.250 1.867     176.004     250.000       6.692    6 
-    850000      170000.00      33.622     -57.414     -23.792   4.75 0.214 0.786 0.253 2.023     305.036     250.000       6.844    6 
-    860000      172000.00      18.302     -67.878     -49.576   4.60 0.071 0.917 0.235 1.772     166.043     250.000       7.052    6 
-    870000      174000.00      23.902     -63.189     -39.287   4.58 0.286 0.714 0.221 1.856     216.852     250.000       6.816    6 
-    880000      176000.00      21.319     -55.990     -34.671   4.53 0.214 0.842 0.280 2.464     193.418     250.000       6.700    6 
-    890000      178000.00      30.005     -57.839     -27.834   4.23 0.214 0.824 0.254 1.496     272.220     250.000       6.791    6 
-    900000      180000.00      26.632     -60.353     -33.721   4.29 0.143 0.846 0.287 1.404     241.623     250.000       6.875    6 
-    910000      182000.00      22.462     -66.710     -44.247   5.07 0.286 0.765 0.251 1.025     203.791     250.000       6.978    6 
-    920000      184000.00      22.733     -64.305     -41.572   4.08 0.286 0.733 0.303 0.774     206.245     250.000       6.938    6 
-    930000      186000.00      24.543     -67.336     -42.792   4.93 0.357 0.688 0.233 1.069     222.668     250.000       6.969    6 
-    940000      188000.00      30.326     -68.511     -38.185   4.36 0.071 0.909 0.260 1.716     275.138     250.000       6.753    6 
-    950000      190000.00      28.181     -68.116     -39.935   4.40 0.214 0.812 0.261 1.513     255.675     250.000       6.614    6 
-    960000      192000.00      23.529     -70.198     -46.669   4.27 0.214 0.769 0.241 1.379     213.466     250.000       6.808    6 
-    970000      194000.00      24.052     -68.195     -44.143   4.75 0.286 0.789 0.239 2.179     218.209     250.000       6.869    6 
-    980000      196000.00      24.677     -64.402     -39.725   5.09 0.286 0.714 0.208 1.577     223.879     250.000       6.948    6 
-    990000      198000.00      25.111     -67.445     -42.334   4.01 0.357 0.643 0.260 1.849     227.820     250.000       6.927    6 
-   1000000      200000.00      21.172     -71.438     -50.266   4.57 0.286 0.750 0.250 1.059     192.086     250.000       7.045    6 
+         0           0.00      33.342      24.932      58.274  12.87 0.000   NaN   NaN 0.709     302.500     280.000      15.552    6 
+     10000        2000.00      26.745     -38.115     -11.370   4.11 0.286 0.556 0.298 1.681     242.646     280.000       7.713    6 
+     20000        4000.00      29.908     -30.775      -0.867   3.58 0.214 0.625 0.312 0.926     271.341     280.000       7.890    6 
+     30000        6000.00      25.716     -44.332     -18.617   5.21 0.357 0.500 0.191 0.730     233.306     280.000       7.844    6 
+     40000        8000.00      26.891     -33.333      -6.442   3.58 0.286 0.556 0.192 0.979     243.966     280.000       8.080    6 
+     50000       10000.00      18.616     -39.890     -21.274   2.83 0.286 0.714 0.302 1.076     168.893     280.000       6.473    6 
+     60000       12000.00      34.788     -42.176      -7.389   4.14 0.214 0.571 0.253 1.422     315.611     280.000       7.267    6 
+     70000       14000.00      30.564     -42.762     -12.198   5.18 0.143 0.778 0.273 0.683     277.296     280.000       6.899    6 
+     80000       16000.00      31.192     -30.042       1.150   5.69 0.286 0.556 0.460 3.087     282.988     280.000       6.862    6 
+     90000       18000.00      25.042     -36.749     -11.707   5.40 0.286 0.692 0.441 1.575     227.198     280.000       6.713    6 
+    100000       20000.00      29.954     -29.276       0.678   6.69 0.143 0.800 0.300 1.215     271.756     280.000       7.199    6 
+    110000       22000.00      28.708     -13.395      15.313   4.77 0.143 0.714 0.338 2.582     260.457     310.000       8.301    6 
+    120000       24000.00      28.152     -20.825       7.327   9.69 0.143 0.667 0.152 1.917     255.406     310.000      11.862    6 
+    130000       26000.00      35.450      -1.484      33.966   7.38 0.071 0.667 0.182 3.686     321.622     310.000      11.495    6 
+    140000       28000.00      36.682     -21.513      15.169   6.56 0.143 0.500 0.159 1.069     332.799     310.000      10.609    6 
+    150000       30000.00      25.675      -0.893      24.782   4.28 0.286 0.600 0.391 2.655     232.940     310.000       7.641    6 
+    160000       32000.00      27.453     -20.216       7.237   7.45 0.214 0.400 0.145 1.612     249.066     310.000       9.736    6 
+    170000       34000.00      27.254      -5.150      22.104   8.02 0.143 0.333 0.136 1.340     247.266     310.000      12.271    6 
+    180000       36000.00      22.914     -27.489      -4.574   6.55 0.143 0.667 0.303 1.360     207.889     310.000       7.102    6 
+    190000       38000.00      26.547     -33.061      -6.514   5.72 0.143 0.750 0.375 1.757     240.846     310.000       7.089    6 
+    200000       40000.00      33.469     -27.544       5.925   6.28 0.143 0.667 0.288 0.785     303.649     310.000       7.084    6 
+    210000       42000.00      30.882     -13.786      17.097   2.63 0.214 0.667 0.242 2.040     280.182     310.000       6.847    6 
+    220000       44000.00      34.035     -30.020       4.015   3.72 0.071 0.857 0.260 0.994     308.785     310.000       7.702    6 
+    230000       46000.00      27.457     -28.879      -1.422   3.90 0.143 0.600 0.355 1.756     249.101     310.000       6.890    6 
+    240000       48000.00      33.436     -23.239      10.197   4.52 0.143 0.667 0.182 1.349     303.349     310.000       7.923    6 
+    250000       50000.00      33.647     -14.626      19.020   4.95 0.071 0.875 0.256 1.345     305.260     310.000       8.416    6 
+    260000       52000.00      25.977     -20.114       5.863   9.66 0.071 0.667 0.152 1.319     235.679     310.000      12.142    6 
+    270000       54000.00      33.975      -8.304      25.671   4.93 0.071 0.667 0.182 1.417     308.238     310.000       9.098    6 
+    280000       56000.00      30.832     -32.537      -1.705   6.21 0.143 0.600 0.382 1.655     279.726     310.000       6.727    6 
+    290000       58000.00      34.564     -17.193      17.371   4.20 0.357 0.286 0.156 1.558     313.585     310.000       8.810    6 
+    300000       60000.00      24.426     -25.906      -1.479   4.67 0.143 0.750 0.278 1.369     221.608     310.000       7.318    6 
+    310000       62000.00      28.351     -34.267      -5.916   5.67 0.214 0.700 0.236 1.741     257.218     290.000       7.036    6 
+    320000       64000.00      30.454     -31.900      -1.446   7.89 0.214 0.500 0.159 1.226     276.297     290.000      10.826    6 
+    330000       66000.00      26.249     -19.903       6.345   6.28 0.000 1.000 0.159 2.137     238.141     290.000       9.446    6 
+    340000       68000.00      33.703     -40.868      -7.165   4.92 0.286 0.714 0.269 1.152     305.774     290.000       6.935    6 
+    350000       70000.00      37.149     -41.078      -3.928   6.56 0.286 0.667 0.265 1.011     337.038     290.000       6.981    6 
+    360000       72000.00      28.483     -47.432     -18.949   6.75 0.286 0.600 0.200 2.899     258.411     290.000       7.491    6 
+    370000       74000.00      26.020     -34.304      -8.284   4.25 0.286 0.667 0.261 1.886     236.066     290.000       7.313    6 
+    380000       76000.00      28.961     -26.621       2.339   5.68 0.143 0.714 0.201 3.449     262.746     290.000       9.466    6 
+    390000       78000.00      26.486     -30.247      -3.762   5.00 0.143 0.875 0.358 2.272     240.292     290.000       6.832    6 
+    400000       80000.00      21.131     -32.699     -11.568   4.37 0.143 0.857 0.347 1.844     191.709     290.000       6.918    6 
+    410000       82000.00      26.575     -10.235      16.340   3.94 0.071 0.900 0.341 2.802     241.100     310.000       7.510    6 
+    420000       84000.00      26.019     -18.668       7.351   4.92 0.143 0.667 0.258 1.745     236.061     310.000       7.176    6 
+    430000       86000.00      26.267     -34.857      -8.590   5.22 0.286 0.714 0.295 1.545     238.307     310.000       7.639    6 
+    440000       88000.00      29.887     -30.379      -0.492   3.99 0.286 0.556 0.414 3.517     271.146     310.000       7.635    6 
+    450000       90000.00      31.646     -25.657       5.988   4.38 0.143 0.714 0.279 1.009     287.104     310.000       7.168    6 
+    460000       92000.00      22.883     -11.211      11.672   6.02 0.071 0.909 0.455 1.288     207.606     310.000       7.102    6 
+    470000       94000.00      27.018      -6.113      20.906   6.10 0.214 0.571 0.273 1.886     245.124     310.000       7.462    6 
+    480000       96000.00      28.663     -27.477       1.185   5.84 0.214 0.750 0.341 2.462     260.044     310.000       6.805    6 
+    490000       98000.00      30.394     -17.760      12.634   5.94 0.143 0.667 0.205 1.508     275.749     310.000       9.349    6 
+    500000      100000.00      40.241     -22.239      18.001   5.36 0.143 0.750 0.295 1.551     365.086     310.000       7.234    6 
+    510000      102000.00      33.231     -21.313      11.919   4.81 0.357 0.545 0.360 1.859     301.491     320.000       7.439    6 
+    520000      104000.00      27.559     -18.774       8.785   5.78 0.071 0.833 0.636 2.972     250.025     320.000       9.644    6 
+    530000      106000.00      33.910     -17.891      16.019   6.32 0.143 0.333 0.364 1.226     307.650     320.000       7.952    6 
+    540000      108000.00      33.846      -9.823      24.023   8.90 0.071 0.667 0.197 1.525     307.070     320.000      11.873    6 
+    550000      110000.00      36.583      -7.805      28.779   7.30 0.143 0.500 0.182 2.245     331.904     320.000      11.416    6 
+    560000      112000.00      38.582     -14.283      24.299   5.48 0.214 0.700 0.445 1.855     350.034     320.000       9.100    6 
+    570000      114000.00      42.624     -24.741      17.883   4.86 0.071 0.857 0.318 1.866     386.708     320.000       7.314    6 
+    580000      116000.00      36.251     -17.927      18.325  10.28 0.071 0.667 0.182 1.496     328.891     320.000      14.249    6 
+    590000      118000.00      32.818     -16.670      16.148   4.94 0.071 0.667 0.152 0.844     297.741     320.000       8.591    6 
+    600000      120000.00      32.904     -14.904      18.000   6.04 0.143 0.867 0.355 1.326     298.522     320.000       6.860    6 
+    610000      122000.00      38.886     -23.337      15.549   7.47 0.214 0.400 0.155 2.660     352.793     310.000      10.529    6 
+    620000      124000.00      31.855     -23.656       8.199   6.32 0.214 0.700 0.223 0.700     289.007     310.000       8.104    6 
+    630000      126000.00      31.720     -20.271      11.448   5.31 0.000 1.000 0.295 1.104     287.777     310.000       7.380    6 
+    640000      128000.00      24.918     -16.912       8.006   6.79 0.071 0.857 0.286 1.996     226.072     310.000       8.756    6 
+    650000      130000.00      36.133     -12.290      23.843   5.98 0.071 0.750 0.466 1.135     327.820     310.000       6.849    6 
+    660000      132000.00      43.946      -7.149      36.797   8.05 0.143 0.333 0.136 1.538     398.699     310.000      12.328    6 
+    670000      134000.00      24.386     -28.549      -4.163   3.17 0.143 0.600 0.327 2.060     221.244     310.000       6.997    6 
+    680000      136000.00      25.147     -17.978       7.170   5.08 0.143 0.333 0.303 2.125     228.149     310.000       8.379    6 
+    690000      138000.00      42.499     -19.623      22.876   6.19 0.000 1.000 0.625 3.671     385.573     310.000       8.158    6 
+    700000      140000.00      32.233      -9.921      22.312   5.17 0.071 0.857 0.344 2.647     292.435     310.000       7.771    6 
+    710000      142000.00      31.265      -5.915      25.349   8.47 0.143 0.500 0.182 2.425     283.651     340.000      11.527    6 
+    720000      144000.00      30.217     -12.022      18.195   5.89 0.071 0.500 0.182 0.432     274.147     340.000       7.833    6 
+    730000      146000.00      34.077      -6.823      27.253  10.39 0.071 0.800 0.182 1.685     309.161     340.000      12.907    6 
+    740000      148000.00      27.524       2.167      29.691  10.03 0.143 0.333 0.182 1.336     249.713     340.000      13.808    6 
+    750000      150000.00      33.235      -9.711      23.525   7.13 0.000   NaN   NaN 0.755     301.526     340.000       9.224    6 
+    760000      152000.00      33.488       1.146      34.634   8.58 0.071 0.667 0.197 3.526     303.823     340.000      11.993    6 
+    770000      154000.00      37.403     -17.201      20.202   6.21 0.000 1.000 0.364 2.468     339.340     340.000       9.157    6 
+    780000      156000.00      31.720       1.746      33.466  10.14 0.071 0.667 0.152 2.227     287.782     340.000      13.430    6 
+    790000      158000.00      35.295      -6.880      28.415   4.64 0.000 1.000 0.455 2.331     320.214     340.000       9.016    6 
+    800000      160000.00      30.682       0.833      31.515   5.42 0.143 0.667 0.500 3.410     278.362     340.000       8.724    6 
+    810000      162000.00      24.624      -8.501      16.123   8.86 0.000   NaN   NaN 1.327     223.400     340.000      12.836    6 
+    820000      164000.00      27.018     -14.753      12.265   6.34 0.000 1.000 0.327 1.592     245.120     340.000       8.118    6 
+    830000      166000.00      34.824     -11.580      23.244   5.68 0.071 0.750 0.523 2.567     315.939     340.000       8.360    6 
+    840000      168000.00      36.358     -17.947      18.412   5.63 0.286 0.429 0.461 2.211     329.862     340.000       8.190    6 
+    850000      170000.00      31.952      -3.524      28.428   8.40 0.143 0.500 0.193 1.441     289.888     340.000      11.391    6 
+    860000      172000.00      36.230     -17.635      18.595   5.13 0.286 0.200 0.236 2.661     328.695     340.000       8.162    6 
+    870000      174000.00      33.039     -10.204      22.835   8.47 0.071 0.500 0.227 1.135     299.743     340.000      12.417    6 
+    880000      176000.00      31.930     -17.017      14.913   4.57 0.000 1.000 0.136 0.812     289.684     340.000       9.229    6 
+    890000      178000.00      29.930     -17.966      11.965   4.31 0.143 0.500 0.205 1.658     271.542     340.000       7.600    6 
+    900000      180000.00      39.695     -10.646      29.049   6.51 0.000 1.000 0.273 3.276     360.134     340.000      10.266    6 
+    910000      182000.00      45.093       4.351      49.444  11.75 0.000 1.000 0.136 2.134     409.107     360.000      15.818    6 
+    920000      184000.00      39.798       3.789      43.587   5.59 0.000 1.000 0.591 2.654     361.067     360.000       8.930    6 
+    930000      186000.00      30.535      -3.626      26.910   3.19 0.214 0.400 0.364 2.069     277.032     360.000       8.262    6 
+    940000      188000.00      34.564      -1.605      32.959   6.22 0.071 0.800 0.527 2.018     313.584     360.000       8.855    6 
+    950000      190000.00      43.409      -4.890      38.519   6.78 0.000 1.000 0.409 1.668     393.826     360.000       9.063    6 
+    960000      192000.00      33.648      -6.325      27.323   9.34 0.000 1.000 0.227 1.273     305.270     360.000      13.351    6 
+    970000      194000.00      41.924      -0.993      40.931   7.01 0.000 1.000 0.182 2.182     380.357     360.000      10.237    6 
+    980000      196000.00      36.232     -13.766      22.466   4.99 0.000 1.000 0.250 1.923     328.712     360.000       9.053    6 
+    990000      198000.00      38.396     -16.752      21.644   4.60 0.000   NaN   NaN 0.909     348.349     360.000       8.906    6 
+   1000000      200000.00      31.343      -7.407      23.936   4.16 0.143 0.667 0.485 1.136     284.361     360.000       7.611    6 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB007.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB007.stat
index ef3c2df..a27c5c9 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB007.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB007.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.285      21.377      51.662  12.87 0.000   NaN   NaN 0.938     274.759     260.000      15.552    7 
-     10000        2000.00      34.980     -51.495     -16.515   5.22 0.357 0.643 0.250 1.687     317.352     260.000       6.555    7 
-     20000        4000.00      26.677     -58.238     -31.561   4.72 0.286 0.692 0.224 1.117     242.028     260.000       6.915    7 
-     30000        6000.00      28.370     -60.189     -31.819   4.61 0.429 0.667 0.343 1.255     257.386     260.000       6.464    7 
-     40000        8000.00      30.129     -44.485     -14.356   4.66 0.286 0.733 0.288 3.200     273.347     260.000       6.609    7 
-     50000       10000.00      25.476     -49.312     -23.836   5.09 0.429 0.455 0.351 1.635     231.129     260.000       6.895    7 
-     60000       12000.00      24.287     -57.917     -33.630   5.19 0.286 0.714 0.302 1.090     220.347     260.000       6.748    7 
-     70000       14000.00      27.794     -55.073     -27.279   4.89 0.357 0.615 0.350 0.683     252.163     260.000       6.881    7 
-     80000       16000.00      20.229     -49.727     -29.499   6.07 0.286 0.692 0.255 1.890     183.524     260.000       6.759    7 
-     90000       18000.00      26.844     -58.287     -31.443   5.15 0.357 0.688 0.284 1.318     243.543     260.000       6.510    7 
-    100000       20000.00      29.565     -55.488     -25.922   4.88 0.357 0.615 0.301 1.335     268.231     260.000       6.644    7 
-    110000       22000.00      32.131     -38.688      -6.557   4.88 0.286 0.636 0.289 0.850     291.513     300.000       7.349    7 
-    120000       24000.00      28.784     -34.196      -5.413   4.63 0.143 0.833 0.364 1.267     261.142     300.000       6.677    7 
-    130000       26000.00      32.786     -35.722      -2.937   4.51 0.214 0.769 0.273 1.218     297.447     300.000       7.076    7 
-    140000       28000.00      33.466     -34.893      -1.427   4.08 0.143 0.833 0.413 1.523     303.620     300.000       7.290    7 
-    150000       30000.00      28.459     -32.933      -4.475   6.28 0.286 0.667 0.223 1.206     258.192     300.000       7.255    7 
-    160000       32000.00      35.372     -33.579       1.793   4.31 0.214 0.700 0.359 1.486     320.916     300.000       7.004    7 
-    170000       34000.00      28.562     -30.905      -2.343   4.56 0.214 0.769 0.409 2.695     259.126     300.000       7.175    7 
-    180000       36000.00      32.202     -44.607     -12.405   4.09 0.357 0.667 0.315 2.182     292.152     300.000       6.902    7 
-    190000       38000.00      28.472     -46.087     -17.615   3.91 0.143 0.778 0.379 2.056     258.312     300.000       7.471    7 
-    200000       40000.00      25.257     -34.194      -8.937   5.03 0.357 0.667 0.303 1.771     229.147     300.000       6.671    7 
-    210000       42000.00      27.501     -41.622     -14.121   3.61 0.286 0.714 0.299 2.238     249.504     310.000       6.685    7 
-    220000       44000.00      40.275     -36.531       3.744   1.90 0.429 0.400 0.300 1.320     365.393     310.000       6.580    7 
-    230000       46000.00      24.716     -39.161     -14.445   4.67 0.143 0.778 0.354 2.100     224.236     310.000       6.789    7 
-    240000       48000.00      26.118     -15.304      10.813   4.50 0.143 0.667 0.394 2.006     236.954     310.000       7.222    7 
-    250000       50000.00      28.072     -36.692      -8.620   3.10 0.214 0.727 0.421 2.354     254.680     310.000       6.924    7 
-    260000       52000.00      29.529     -29.503       0.025   3.14 0.500 0.462 0.234 1.546     267.898     310.000       7.181    7 
-    270000       54000.00      37.692     -23.525      14.167   6.92 0.143 0.714 0.162 1.033     341.962     310.000       9.290    7 
-    280000       56000.00      32.430     -33.488      -1.058   4.16 0.143 0.778 0.247 1.415     294.224     310.000       7.648    7 
-    290000       58000.00      30.592     -14.938      15.654   4.63 0.143 0.778 0.207 2.625     277.544     310.000       7.228    7 
-    300000       60000.00      26.613     -30.858      -4.244   6.85 0.000 1.000 0.273 1.305     241.450     310.000       7.175    7 
-    310000       62000.00      32.245     -22.069      10.177   5.38 0.071 0.800 0.200 1.765     292.548     320.000       7.363    7 
-    320000       64000.00      34.976     -27.762       7.214   2.50 0.214 0.667 0.404 1.849     317.316     320.000       7.609    7 
-    330000       66000.00      25.297     -18.475       6.821   5.01 0.071 0.800 0.300 2.570     229.505     320.000       7.566    7 
-    340000       68000.00      37.971     -21.027      16.944   6.59 0.143 0.667 0.189 1.362     344.493     320.000       8.455    7 
-    350000       70000.00      38.392     -30.376       8.016   5.42 0.286 0.600 0.395 1.330     348.316     320.000       7.062    7 
-    360000       72000.00      30.187     -42.899     -12.712   5.19 0.286 0.714 0.383 1.219     273.875     320.000       6.905    7 
-    370000       74000.00      31.735     -25.792       5.943   5.20 0.143 0.667 0.371 1.773     287.915     320.000       8.583    7 
-    380000       76000.00      28.994      -9.617      19.376   4.03 0.143 0.818 0.384 2.472     263.045     320.000       7.976    7 
-    390000       78000.00      28.252     -37.994      -9.742   4.90 0.143 0.778 0.333 1.896     256.314     320.000       7.304    7 
-    400000       80000.00      33.147     -22.343      10.804   7.57 0.214 0.500 0.167 1.898     300.725     320.000      11.194    7 
-    410000       82000.00      35.031     -28.812       6.219   5.15 0.143 0.800 0.341 1.852     317.815     300.000       7.085    7 
-    420000       84000.00      39.019     -23.755      15.264   4.82 0.143 0.667 0.167 1.332     354.002     300.000       8.219    7 
-    430000       86000.00      26.785     -32.664      -5.879   6.84 0.071 0.833 0.197 2.566     243.009     300.000       8.764    7 
-    440000       88000.00      34.901     -41.569      -6.668   6.21 0.214 0.700 0.314 1.508     316.641     300.000       7.020    7 
-    450000       90000.00      32.880     -40.946      -8.066   4.17 0.071 0.889 0.283 1.393     298.305     300.000       7.344    7 
-    460000       92000.00      24.922     -28.458      -3.537   4.61 0.071 0.917 0.360 1.212     226.102     300.000       6.400    7 
-    470000       94000.00      26.971     -29.819      -2.848   4.41 0.143 0.818 0.289 2.258     244.695     300.000       7.221    7 
-    480000       96000.00      26.561     -42.262     -15.701   4.45 0.286 0.636 0.302 1.183     240.975     300.000       6.924    7 
-    490000       98000.00      25.831     -32.911      -7.080   4.49 0.071 0.833 0.250 2.213     234.351     300.000       7.006    7 
-    500000      100000.00      27.985     -41.954     -13.969   5.05 0.214 0.571 0.182 1.861     253.895     300.000       7.126    7 
-    510000      102000.00      34.414     -32.422       1.992   6.41 0.143 0.667 0.303 0.932     312.224     320.000       7.565    7 
-    520000      104000.00      38.286     -22.584      15.702   6.46 0.214 0.625 0.193 0.901     347.355     320.000      10.179    7 
-    530000      106000.00      34.293     -36.725      -2.432   5.01 0.143 0.818 0.384 1.079     311.121     320.000       7.436    7 
-    540000      108000.00      37.067     -26.305      10.762   3.47 0.357 0.444 0.328 1.115     336.292     320.000       7.581    7 
-    550000      110000.00      29.208     -26.772       2.436   5.85 0.214 0.625 0.233 1.480     264.993     320.000       7.949    7 
-    560000      112000.00      28.386     -24.940       3.446   4.93 0.214 0.571 0.279 2.294     257.534     320.000       7.576    7 
-    570000      114000.00      31.376     -28.470       2.906   5.31 0.143 0.778 0.318 1.984     284.659     320.000       7.019    7 
-    580000      116000.00      42.036     -27.338      14.698   3.79 0.143 0.750 0.409 1.952     381.372     320.000       7.773    7 
-    590000      118000.00      31.353     -35.089      -3.736   2.90 0.286 0.714 0.315 1.963     284.449     320.000       6.761    7 
-    600000      120000.00      34.288     -34.610      -0.322   4.20 0.071 0.857 0.370 1.125     311.081     320.000       6.943    7 
-    610000      122000.00      29.585     -23.550       6.035   3.77 0.357 0.643 0.399 1.768     268.410     320.000       6.832    7 
-    620000      124000.00      34.250     -28.694       5.556   3.80 0.286 0.750 0.381 3.078     310.738     320.000       6.546    7 
-    630000      126000.00      37.218     -31.462       5.757   4.96 0.143 0.667 0.326 1.283     337.663     320.000       7.378    7 
-    640000      128000.00      32.025     -28.448       3.578   5.41 0.143 0.714 0.253 1.333     290.549     320.000       7.389    7 
-    650000      130000.00      28.850     -25.831       3.020   4.81 0.214 0.500 0.447 1.190     261.746     320.000       8.232    7 
-    660000      132000.00      27.136     -29.925      -2.789   4.40 0.071 0.750 0.364 2.415     246.196     320.000       8.040    7 
-    670000      134000.00      25.762     -35.417      -9.655   6.08 0.214 0.727 0.331 2.550     233.725     320.000       6.857    7 
-    680000      136000.00      35.938     -29.142       6.797   4.55 0.143 0.818 0.302 1.967     326.052     320.000       7.004    7 
-    690000      138000.00      30.269     -16.759      13.510   5.12 0.143 0.750 0.312 2.283     274.615     320.000       7.505    7 
-    700000      140000.00      35.662     -37.661      -1.999   4.79 0.214 0.667 0.308 1.666     323.542     320.000       7.244    7 
-    710000      142000.00      23.700     -24.210      -0.511   7.99 0.286 0.556 0.258 1.305     215.015     320.000       9.521    7 
-    720000      144000.00      29.249     -40.528     -11.280   4.18 0.357 0.667 0.336 1.179     265.359     320.000       7.296    7 
-    730000      146000.00      31.039     -23.311       7.728   5.41 0.071 0.500 0.205 0.923     281.599     320.000       7.480    7 
-    740000      148000.00      33.657     -25.880       7.777   4.79 0.143 0.778 0.404 1.953     305.354     320.000       7.451    7 
-    750000      150000.00      33.815     -26.679       7.136   4.60 0.143 0.667 0.295 0.983     306.787     320.000       7.880    7 
-    760000      152000.00      27.331     -21.803       5.528   4.39 0.214 0.500 0.348 0.912     247.962     320.000       7.714    7 
-    770000      154000.00      28.178     -32.991      -4.813   4.89 0.143 0.800 0.477 1.756     255.649     320.000       7.173    7 
-    780000      156000.00      39.639     -29.234      10.405   3.95 0.214 0.727 0.426 1.885     359.628     320.000       7.330    7 
-    790000      158000.00      39.249     -26.943      12.306   3.89 0.143 0.846 0.441 2.061     356.084     320.000       7.796    7 
-    800000      160000.00      28.246     -25.287       2.958   4.50 0.214 0.625 0.290 2.123     256.259     320.000       7.728    7 
-    810000      162000.00      29.299     -27.243       2.057   6.58 0.214 0.700 0.218 1.070     265.819     320.000       8.444    7 
-    820000      164000.00      26.785     -22.545       4.240   4.74 0.357 0.286 0.240 1.265     243.007     320.000       7.836    7 
-    830000      166000.00      24.608     -33.435      -8.827   4.94 0.214 0.625 0.381 1.351     223.254     320.000       7.553    7 
-    840000      168000.00      24.565     -34.076      -9.511   4.97 0.214 0.727 0.298 1.148     222.870     320.000       6.851    7 
-    850000      170000.00      28.992     -20.524       8.469   6.82 0.000 1.000 0.545 1.665     263.033     320.000       8.517    7 
-    860000      172000.00      32.285     -32.039       0.246   5.51 0.143 0.800 0.445 1.088     292.904     320.000       7.343    7 
-    870000      174000.00      26.104     -20.381       5.723   5.31 0.286 0.429 0.325 1.972     236.830     320.000       7.802    7 
-    880000      176000.00      34.616     -38.573      -3.957   4.33 0.143 0.778 0.338 2.266     314.056     320.000       7.509    7 
-    890000      178000.00      21.059     -31.571     -10.511   5.77 0.000 1.000 0.470 1.674     191.061     320.000       8.274    7 
-    900000      180000.00      26.021     -29.667      -3.646   5.39 0.143 0.778 0.429 1.372     236.079     320.000       6.897    7 
-    910000      182000.00      33.902     -28.653       5.249   4.66 0.286 0.667 0.258 0.934     307.574     320.000       7.188    7 
-    920000      184000.00      31.738     -23.964       7.774   5.68 0.143 0.818 0.537 2.151     287.947     320.000       6.804    7 
-    930000      186000.00      32.386     -31.240       1.146   5.63 0.143 0.778 0.278 1.174     293.827     320.000       7.372    7 
-    940000      188000.00      23.597     -23.885      -0.288   5.22 0.214 0.571 0.188 1.704     214.085     320.000       7.566    7 
-    950000      190000.00      34.220     -24.345       9.874   4.56 0.143 0.600 0.300 1.300     310.457     320.000       8.134    7 
-    960000      192000.00      42.936     -23.647      19.289   4.81 0.143 0.667 0.402 1.537     389.541     320.000       7.902    7 
-    970000      194000.00      37.499     -28.899       8.600   5.23 0.214 0.700 0.391 2.099     340.210     320.000       7.434    7 
-    980000      196000.00      28.106     -31.375      -3.269   4.24 0.143 0.882 0.321 1.238     254.996     320.000       7.034    7 
-    990000      198000.00      34.552     -32.861       1.692   4.70 0.429 0.571 0.295 2.742     313.478     320.000       6.988    7 
-   1000000      200000.00      33.016     -30.617       2.399   4.20 0.286 0.636 0.463 1.754     299.538     320.000       6.699    7 
+         0           0.00      34.825      24.932      59.757  12.87 0.000   NaN   NaN 0.709     315.955     280.000      15.552    7 
+     10000        2000.00      32.033     -32.798      -0.765   4.80 0.143 0.833 0.447 1.686     290.621     280.000       6.412    7 
+     20000        4000.00      28.501     -28.362       0.139   3.82 0.071 0.875 0.244 1.735     258.576     280.000       7.494    7 
+     30000        6000.00      23.321     -35.003     -11.682   4.71 0.214 0.571 0.409 1.474     211.580     280.000       7.242    7 
+     40000        8000.00      27.179     -37.730     -10.551   5.87 0.214 0.700 0.332 1.121     246.583     280.000       7.240    7 
+     50000       10000.00      25.913     -42.336     -16.422   5.50 0.071 0.889 0.323 1.678     235.100     280.000       6.952    7 
+     60000       12000.00      27.292     -40.850     -13.559   6.59 0.286 0.733 0.333 1.654     247.604     280.000       6.452    7 
+     70000       14000.00      24.744     -35.487     -10.743   4.46 0.429 0.333 0.283 1.243     224.490     280.000       7.525    7 
+     80000       16000.00      27.190     -29.614      -2.424   3.85 0.214 0.571 0.403 1.430     246.683     280.000       7.359    7 
+     90000       18000.00      23.151     -34.649     -11.497   2.65 0.214 0.727 0.289 2.337     210.041     280.000       7.188    7 
+    100000       20000.00      29.677     -36.717      -7.040   5.63 0.143 0.778 0.303 1.326     269.246     280.000       7.299    7 
+    110000       22000.00      26.299     -43.066     -16.767   3.76 0.286 0.667 0.250 0.838     238.599     280.000       7.165    7 
+    120000       24000.00      26.190     -41.994     -15.804   5.11 0.357 0.444 0.197 2.160     237.607     280.000       7.159    7 
+    130000       26000.00      28.294     -41.615     -13.321   3.12 0.286 0.636 0.277 1.454     256.698     280.000       7.385    7 
+    140000       28000.00      31.486     -45.081     -13.595   6.28 0.214 0.667 0.227 1.698     285.657     280.000       7.495    7 
+    150000       30000.00      23.893     -42.291     -18.398   5.28 0.286 0.600 0.186 1.166     216.772     280.000       8.066    7 
+    160000       32000.00      25.698     -36.927     -11.229   5.90 0.143 0.778 0.212 1.048     233.144     280.000       9.438    7 
+    170000       34000.00      23.719     -35.995     -12.276   4.18 0.357 0.545 0.318 1.206     215.195     280.000       6.722    7 
+    180000       36000.00      31.823     -40.138      -8.315   3.91 0.357 0.643 0.302 2.231     288.717     280.000       6.758    7 
+    190000       38000.00      27.144     -40.165     -13.021   3.86 0.214 0.625 0.295 1.029     246.265     280.000       6.811    7 
+    200000       40000.00      28.877     -44.884     -16.007   3.65 0.357 0.643 0.253 2.613     261.988     280.000       6.444    7 
+    210000       42000.00      27.313     -42.116     -14.803   3.09 0.500 0.562 0.369 2.259     247.801     270.000       6.641    7 
+    220000       44000.00      20.777     -51.790     -31.013   3.74 0.429 0.684 0.328 1.919     188.497     270.000       6.599    7 
+    230000       46000.00      27.660     -28.197      -0.537   5.97 0.214 0.667 0.172 2.013     250.949     270.000       8.113    7 
+    240000       48000.00      28.879     -43.062     -14.184   6.34 0.286 0.733 0.167 1.368     262.004     270.000       8.291    7 
+    250000       50000.00      33.705     -38.802      -5.097   3.97 0.286 0.714 0.318 1.596     305.792     270.000       6.485    7 
+    260000       52000.00      28.983     -46.632     -17.649   2.36 0.214 0.750 0.284 0.903     262.950     270.000       6.832    7 
+    270000       54000.00      31.233     -44.144     -12.910   6.03 0.143 0.818 0.207 2.121     283.366     270.000       7.174    7 
+    280000       56000.00      26.554     -46.221     -19.668   2.59 0.357 0.444 0.237 1.037     240.908     270.000       7.116    7 
+    290000       58000.00      34.068     -39.281      -5.213   6.07 0.286 0.556 0.167 1.431     309.080     270.000       8.012    7 
+    300000       60000.00      29.916     -48.110     -18.194   6.84 0.214 0.667 0.187 1.386     271.413     270.000       7.788    7 
+    310000       62000.00      22.472     -40.166     -17.694   3.25 0.571 0.529 0.342 2.588     203.876     270.000       6.975    7 
+    320000       64000.00      24.365     -45.713     -21.349   2.74 0.357 0.583 0.307 1.712     221.048     270.000       7.171    7 
+    330000       66000.00      28.938     -46.924     -17.987   2.96 0.286 0.636 0.256 1.138     262.539     270.000       7.152    7 
+    340000       68000.00      32.408     -34.296      -1.888   4.23 0.286 0.636 0.227 2.283     294.025     270.000       8.235    7 
+    350000       70000.00      24.476     -41.141     -16.665   3.84 0.286 0.714 0.373 1.430     222.056     270.000       6.792    7 
+    360000       72000.00      27.935     -47.993     -20.058   3.11 0.429 0.538 0.273 1.386     253.439     270.000       6.585    7 
+    370000       74000.00      29.927     -45.019     -15.091   2.44 0.357 0.583 0.390 2.833     271.516     270.000       6.879    7 
+    380000       76000.00      42.484     -33.132       9.352   4.51 0.286 0.600 0.195 2.288     385.433     270.000       8.028    7 
+    390000       78000.00      17.436     -48.693     -31.257   6.87 0.286 0.692 0.203 1.010     158.185     270.000       7.749    7 
+    400000       80000.00      25.713     -47.966     -22.253   5.24 0.214 0.727 0.202 1.404     233.286     270.000       7.776    7 
+    410000       82000.00      27.242     -37.527     -10.285   4.15 0.357 0.688 0.270 1.719     247.156     290.000       6.912    7 
+    420000       84000.00      24.412     -38.538     -14.126   5.06 0.143 0.818 0.326 1.155     221.479     290.000       6.687    7 
+    430000       86000.00      28.776     -34.372      -5.597   6.16 0.143 0.600 0.164 1.009     261.069     290.000       9.908    7 
+    440000       88000.00      27.671     -18.823       8.849   4.91 0.143 0.600 0.318 1.513     251.049     290.000       8.698    7 
+    450000       90000.00      27.769     -29.051      -1.282   3.78 0.286 0.636 0.269 1.134     251.939     290.000       7.482    7 
+    460000       92000.00      29.546     -31.786      -2.241   3.30 0.286 0.600 0.314 0.925     268.053     290.000       7.001    7 
+    470000       94000.00      23.799     -35.353     -11.555   4.26 0.357 0.444 0.212 1.533     215.912     290.000       7.684    7 
+    480000       96000.00      25.627     -29.397      -3.771   5.36 0.357 0.615 0.297 1.417     232.501     290.000       6.617    7 
+    490000       98000.00      29.481     -38.735      -9.254   4.80 0.214 0.727 0.260 1.175     267.466     290.000       7.256    7 
+    500000      100000.00      29.914     -39.225      -9.311   7.13 0.214 0.700 0.286 2.455     271.394     290.000       6.810    7 
+    510000      102000.00      27.523      -2.679      24.844   4.31 0.000 1.000 0.364 1.656     249.701     290.000       7.886    7 
+    520000      104000.00      31.912     -33.518      -1.605   5.97 0.143 0.800 0.368 2.170     289.523     290.000       6.944    7 
+    530000      106000.00      30.659     -27.176       3.484   4.19 0.143 0.667 0.227 1.879     278.155     290.000       8.173    7 
+    540000      108000.00      24.460     -31.932      -7.471   6.44 0.143 0.600 0.200 1.823     221.916     290.000       7.639    7 
+    550000      110000.00      22.310     -31.126      -8.816   7.71 0.071 0.667 0.242 1.520     202.412     290.000      10.578    7 
+    560000      112000.00      22.501     -32.969     -10.468   4.93 0.143 0.750 0.284 0.945     204.141     290.000       7.328    7 
+    570000      114000.00      28.207     -41.678     -13.471   4.94 0.286 0.600 0.259 1.713     255.906     290.000       6.943    7 
+    580000      116000.00      29.775     -28.489       1.285   6.71 0.143 0.600 0.164 1.739     270.130     290.000      10.075    7 
+    590000      118000.00      31.577     -33.466      -1.890   4.58 0.286 0.600 0.232 1.427     286.480     290.000       7.069    7 
+    600000      120000.00      37.789     -34.568       3.222   4.59 0.143 0.600 0.373 2.046     342.845     290.000       7.175    7 
+    610000      122000.00      28.277     -40.642     -12.365   6.04 0.143 0.818 0.293 1.442     256.544     280.000       6.796    7 
+    620000      124000.00      23.609     -47.039     -23.430   6.04 0.214 0.700 0.232 0.954     214.194     280.000       7.953    7 
+    630000      126000.00      25.847     -31.410      -5.563   7.55 0.214 0.625 0.199 3.098     234.495     280.000       7.932    7 
+    640000      128000.00      23.765     -26.429      -2.664   3.39 0.429 0.667 0.419 1.867     215.608     280.000       6.713    7 
+    650000      130000.00      35.439     -39.461      -4.022   4.28 0.286 0.692 0.332 2.179     321.519     280.000       6.417    7 
+    660000      132000.00      28.513     -45.774     -17.261   3.82 0.571 0.579 0.409 1.651     258.688     280.000       6.142    7 
+    670000      134000.00      27.256     -47.331     -20.075   3.18 0.643 0.471 0.316 1.846     247.283     280.000       6.283    7 
+    680000      136000.00      26.091     -37.454     -11.363   3.63 0.214 0.727 0.450 1.739     236.711     280.000       6.904    7 
+    690000      138000.00      29.365     -32.343      -2.978   4.89 0.214 0.700 0.200 1.617     266.411     280.000       7.690    7 
+    700000      140000.00      26.208     -46.677     -20.468   2.52 0.357 0.583 0.299 1.864     237.775     280.000       6.774    7 
+    710000      142000.00      31.424     -40.576      -9.151   3.16 0.357 0.667 0.270 2.295     285.097     280.000       7.080    7 
+    720000      144000.00      24.570     -42.234     -17.664   3.26 0.429 0.600 0.324 1.848     222.913     280.000       6.638    7 
+    730000      146000.00      27.542     -43.531     -15.989   3.38 0.357 0.500 0.255 1.874     249.876     280.000       6.581    7 
+    740000      148000.00      30.197     -39.775      -9.578   3.17 0.286 0.556 0.308 2.043     273.961     280.000       7.279    7 
+    750000      150000.00      26.201     -26.350      -0.149   3.35 0.357 0.444 0.258 1.651     237.707     280.000       7.816    7 
+    760000      152000.00      28.027     -36.156      -8.128   5.34 0.143 0.818 0.260 1.485     254.278     280.000       6.537    7 
+    770000      154000.00      25.701     -32.350      -6.649   4.82 0.214 0.769 0.290 0.748     233.174     280.000       6.888    7 
+    780000      156000.00      29.021     -32.788      -3.767   4.23 0.286 0.750 0.298 1.491     263.295     280.000       6.997    7 
+    790000      158000.00      21.546     -36.973     -15.427   5.94 0.429 0.600 0.364 1.359     195.477     280.000       6.760    7 
+    800000      160000.00      28.567     -39.064     -10.497   5.51 0.357 0.583 0.299 0.911     259.172     280.000       6.809    7 
+    810000      162000.00      28.106     -51.059     -22.953   4.77 0.286 0.636 0.273 1.002     254.991     270.000       6.768    7 
+    820000      164000.00      34.692     -42.863      -8.171   3.71 0.286 0.636 0.198 1.028     314.742     270.000       7.230    7 
+    830000      166000.00      25.408     -37.594     -12.187   3.75 0.429 0.625 0.267 1.288     230.510     270.000       6.882    7 
+    840000      168000.00      30.324     -50.107     -19.783   3.89 0.143 0.800 0.364 1.271     275.116     270.000       7.023    7 
+    850000      170000.00      26.641     -51.443     -24.802   4.24 0.214 0.800 0.312 1.399     241.699     270.000       6.817    7 
+    860000      172000.00      27.502     -40.299     -12.797   7.50 0.143 0.800 0.164 2.051     249.513     270.000       8.886    7 
+    870000      174000.00      27.001     -37.393     -10.391   4.91 0.286 0.556 0.162 2.212     244.971     270.000       8.458    7 
+    880000      176000.00      31.734     -36.555      -4.821   3.22 0.286 0.636 0.326 1.174     287.911     270.000       7.169    7 
+    890000      178000.00      24.236     -42.838     -18.601   2.79 0.357 0.545 0.202 1.732     219.885     270.000       7.504    7 
+    900000      180000.00      32.480     -36.570      -4.090   3.55 0.214 0.727 0.281 2.012     294.677     270.000       7.526    7 
+    910000      182000.00      30.938     -28.930       2.008   4.32 0.357 0.286 0.149 2.573     280.683     280.000       8.107    7 
+    920000      184000.00      23.856     -46.593     -22.737   2.54 0.500 0.562 0.330 2.443     216.434     280.000       6.823    7 
+    930000      186000.00      23.695     -39.656     -15.961   3.20 0.357 0.545 0.347 1.218     214.973     280.000       7.224    7 
+    940000      188000.00      22.999     -48.341     -25.342   3.39 0.429 0.571 0.308 1.350     208.658     280.000       7.193    7 
+    950000      190000.00      31.681     -36.843      -5.162   4.94 0.143 0.714 0.305 1.031     287.430     280.000       7.052    7 
+    960000      192000.00      26.197     -21.822       4.375   7.15 0.143 0.667 0.167 2.787     237.670     280.000       8.158    7 
+    970000      194000.00      19.092     -40.275     -21.183   6.35 0.214 0.769 0.273 1.472     173.210     280.000       6.751    7 
+    980000      196000.00      26.326     -29.032      -2.706   3.81 0.286 0.667 0.197 2.855     238.847     280.000       6.819    7 
+    990000      198000.00      26.860     -41.230     -14.371   2.80 0.429 0.571 0.224 1.628     243.684     280.000       7.100    7 
+   1000000      200000.00      24.027     -27.039      -3.013   5.14 0.214 0.750 0.212 2.386     217.982     280.000       8.000    7 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB008.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB008.stat
index 0f3bf3c..c39f017 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB008.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB008.stat
@@ -1,101 +1,101 @@
-         0           0.00      31.626      21.354      52.980  12.87 0.000   NaN   NaN 0.937     286.927     270.000      15.552    8 
-     10000        2000.00      22.604     -35.914     -13.310   3.04 0.071 0.900 0.227 2.131     205.073     270.000       7.437    8 
-     20000        4000.00      22.161     -53.463     -31.302   2.60 0.643 0.400 0.248 0.953     201.055     270.000       6.851    8 
-     30000        6000.00      30.049     -55.668     -25.619   1.97 0.429 0.647 0.307 1.602     272.617     270.000       6.781    8 
-     40000        8000.00      29.497     -55.354     -25.857   1.76 0.429 0.500 0.216 1.993     267.615     270.000       6.836    8 
-     50000       10000.00      30.864     -63.145     -32.281   1.89 0.500 0.562 0.321 2.135     280.011     270.000       6.709    8 
-     60000       12000.00      32.048     -42.549     -10.501   3.20 0.214 0.769 0.297 2.411     290.759     270.000       6.903    8 
-     70000       14000.00      26.803     -49.768     -22.965   4.52 0.000 1.000 0.222 3.246     243.169     270.000       7.387    8 
-     80000       16000.00      31.425     -50.906     -19.481   4.18 0.286 0.667 0.261 2.524     285.104     270.000       7.005    8 
-     90000       18000.00      29.431     -57.812     -28.381   6.71 0.286 0.714 0.289 2.244     267.012     270.000       6.332    8 
-    100000       20000.00      28.726     -58.230     -29.504   3.53 0.571 0.600 0.286 1.807     260.615     270.000       6.482    8 
-    110000       22000.00      26.285     -51.030     -24.745   3.42 0.357 0.545 0.194 1.347     238.469     250.000       7.383    8 
-    120000       24000.00      21.932     -60.881     -38.949   2.94 0.500 0.562 0.241 1.659     198.976     250.000       6.684    8 
-    130000       26000.00      18.636     -64.121     -45.485   2.69 0.571 0.680 0.347 1.576     169.075     250.000       6.169    8 
-    140000       28000.00      26.993     -60.750     -33.757   2.03 0.500 0.562 0.304 1.876     244.895     250.000       6.756    8 
-    150000       30000.00      25.990     -64.277     -38.288   2.22 0.714 0.524 0.281 1.785     235.791     250.000       6.384    8 
-    160000       32000.00      20.286     -63.901     -43.615   2.06 0.286 0.667 0.277 1.250     184.049     250.000       6.869    8 
-    170000       34000.00      26.593     -64.156     -37.562   2.85 0.500 0.562 0.210 1.387     241.268     250.000       6.725    8 
-    180000       36000.00      26.739     -70.274     -43.536   3.34 0.571 0.619 0.242 2.239     242.586     250.000       6.506    8 
-    190000       38000.00      25.770     -67.150     -41.380   1.95 0.500 0.632 0.266 1.289     233.799     250.000       6.741    8 
-    200000       40000.00      27.920     -61.476     -33.556   3.01 0.286 0.750 0.344 1.402     253.304     250.000       6.544    8 
-    210000       42000.00      30.644     -68.648     -38.003   1.88 0.571 0.467 0.252 1.805     278.019     250.000       6.602    8 
-    220000       44000.00      23.729     -64.353     -40.624   1.84 0.571 0.529 0.273 1.697     215.281     250.000       6.547    8 
-    230000       46000.00      18.780     -66.362     -47.581   1.76 0.643 0.438 0.293 1.720     170.386     250.000       6.721    8 
-    240000       48000.00      21.374     -63.954     -42.581   1.70 0.643 0.471 0.230 0.836     193.913     250.000       6.717    8 
-    250000       50000.00      29.286     -71.181     -41.895   3.02 0.571 0.556 0.275 1.201     265.697     250.000       6.584    8 
-    260000       52000.00      20.882     -60.870     -39.988   3.21 0.286 0.778 0.278 1.103     189.450     250.000       6.410    8 
-    270000       54000.00      21.269     -61.311     -40.043   3.09 0.571 0.619 0.338 1.776     192.960     250.000       6.245    8 
-    280000       56000.00      24.473     -74.206     -49.733   2.95 0.500 0.632 0.347 2.181     222.036     250.000       6.290    8 
-    290000       58000.00      29.595     -68.641     -39.046   2.29 0.571 0.529 0.350 1.185     268.501     250.000       6.242    8 
-    300000       60000.00      22.496     -67.905     -45.409   2.24 0.571 0.529 0.316 1.509     204.091     250.000       6.456    8 
-    310000       62000.00      24.748     -60.298     -35.550   2.79 0.500 0.588 0.227 1.331     224.525     250.000       6.356    8 
-    320000       64000.00      21.418     -60.057     -38.639   1.58 0.714 0.474 0.323 1.858     194.316     250.000       6.653    8 
-    330000       66000.00      28.770     -69.635     -40.865   2.39 0.500 0.588 0.342 2.640     261.014     250.000       6.304    8 
-    340000       68000.00      27.324     -63.019     -35.695   2.65 0.571 0.619 0.370 1.090     247.894     250.000       6.242    8 
-    350000       70000.00      28.330     -57.688     -29.358   2.95 0.571 0.529 0.267 1.251     257.023     250.000       6.216    8 
-    360000       72000.00      30.820     -63.392     -32.573   2.02 0.571 0.556 0.298 1.151     279.611     250.000       6.365    8 
-    370000       74000.00      24.947     -70.366     -45.419   2.03 0.571 0.467 0.300 1.414     226.336     250.000       6.689    8 
-    380000       76000.00      25.284     -65.679     -40.395   2.36 0.429 0.600 0.267 0.937     229.390     250.000       6.322    8 
-    390000       78000.00      27.829     -66.263     -38.434   2.66 0.500 0.682 0.353 1.185     252.480     250.000       6.288    8 
-    400000       80000.00      25.140     -59.272     -34.132   2.37 0.357 0.643 0.256 2.221     228.081     250.000       6.727    8 
-    410000       82000.00      15.868     -64.418     -48.550   3.15 0.357 0.722 0.356 1.645     143.964     250.000       6.675    8 
-    420000       84000.00      19.628     -56.387     -36.759   2.39 0.357 0.706 0.297 1.700     178.079     250.000       6.387    8 
-    430000       86000.00      18.855     -56.482     -37.626   3.51 0.357 0.722 0.321 2.885     171.066     250.000       6.575    8 
-    440000       88000.00      25.605     -72.141     -46.536   2.56 0.500 0.650 0.295 0.889     232.304     250.000       6.533    8 
-    450000       90000.00      22.502     -73.476     -50.974   2.60 0.500 0.562 0.324 1.344     204.147     250.000       6.522    8 
-    460000       92000.00      20.187     -63.316     -43.129   2.40 0.571 0.500 0.327 2.222     183.151     250.000       6.382    8 
-    470000       94000.00      24.572     -59.241     -34.669   2.47 0.429 0.600 0.267 2.058     222.928     250.000       6.679    8 
-    480000       96000.00      24.982     -58.705     -33.723   2.72 0.643 0.550 0.300 1.773     226.648     250.000       6.410    8 
-    490000       98000.00      23.349     -66.217     -42.868   2.33 0.500 0.588 0.291 1.195     211.836     250.000       6.761    8 
-    500000      100000.00      23.282     -59.912     -36.631   2.79 0.571 0.556 0.273 2.609     211.223     250.000       6.727    8 
-    510000      102000.00      27.480     -53.717     -26.238   2.33 0.357 0.688 0.270 1.447     249.311     260.000       6.321    8 
-    520000      104000.00      27.136     -58.735     -31.600   2.08 0.286 0.750 0.344 2.200     246.189     260.000       6.474    8 
-    530000      106000.00      22.999     -62.125     -39.126   2.46 0.571 0.529 0.267 1.871     208.656     260.000       6.601    8 
-    540000      108000.00      26.498     -60.718     -34.219   2.17 0.643 0.526 0.280 1.312     240.407     260.000       6.642    8 
-    550000      110000.00      22.759     -55.796     -33.037   2.46 0.357 0.722 0.328 2.366     206.480     260.000       6.393    8 
-    560000      112000.00      23.691     -57.444     -33.754   2.58 0.500 0.682 0.308 2.071     214.933     260.000       6.168    8 
-    570000      114000.00      25.370     -60.974     -35.605   2.59 0.357 0.783 0.330 1.982     230.165     260.000       6.105    8 
-    580000      116000.00      25.206     -60.845     -35.640   3.29 0.214 0.750 0.231 1.992     228.678     260.000       6.749    8 
-    590000      118000.00      26.171     -62.809     -36.639   2.97 0.429 0.667 0.328 2.213     237.433     260.000       6.514    8 
-    600000      120000.00      25.379     -68.123     -42.744   2.66 0.429 0.667 0.258 1.995     230.254     260.000       6.428    8 
-    610000      122000.00      26.413     -55.269     -28.856   1.77 0.286 0.714 0.341 3.101     239.631     270.000       6.579    8 
-    620000      124000.00      27.483     -51.924     -24.441   3.19 0.286 0.714 0.211 1.620     249.340     270.000       7.002    8 
-    630000      126000.00      27.509     -46.019     -18.511   1.74 0.571 0.429 0.286 1.596     249.571     270.000       6.660    8 
-    640000      128000.00      30.920     -53.698     -22.778   2.36 0.286 0.714 0.299 1.359     280.522     270.000       6.581    8 
-    650000      130000.00      22.430     -50.880     -28.451   2.31 0.286 0.667 0.254 1.394     203.494     270.000       6.866    8 
-    660000      132000.00      28.212     -52.927     -24.715   2.56 0.214 0.750 0.220 2.074     255.957     270.000       6.884    8 
-    670000      134000.00      27.497     -46.290     -18.793   2.22 0.500 0.222 0.212 1.313     249.467     270.000       7.360    8 
-    680000      136000.00      25.931     -60.373     -34.442   1.96 0.571 0.500 0.241 1.073     235.263     270.000       6.695    8 
-    690000      138000.00      27.877     -66.566     -38.688   1.90 0.643 0.500 0.237 1.636     252.919     270.000       6.592    8 
-    700000      140000.00      28.832     -58.195     -29.363   4.03 0.357 0.583 0.205 1.635     261.579     270.000       7.730    8 
-    710000      142000.00      26.208     -55.998     -29.790   2.09 0.286 0.667 0.220 1.327     237.769     260.000       6.864    8 
-    720000      144000.00      21.186     -49.249     -28.063   2.64 0.214 0.571 0.182 2.046     192.208     260.000       7.315    8 
-    730000      146000.00      29.136     -59.013     -29.877   2.04 0.571 0.467 0.285 1.678     264.332     260.000       6.556    8 
-    740000      148000.00      28.388     -57.062     -28.673   2.73 0.571 0.579 0.301 1.158     257.554     260.000       6.776    8 
-    750000      150000.00      24.223     -56.953     -32.730   2.55 0.357 0.615 0.213 1.287     219.759     260.000       6.760    8 
-    760000      152000.00      28.875     -61.956     -33.081   2.53 0.571 0.529 0.278 1.170     261.971     260.000       6.669    8 
-    770000      154000.00      28.913     -54.396     -25.483   2.82 0.500 0.611 0.316 1.339     262.313     260.000       6.453    8 
-    780000      156000.00      26.207     -57.484     -31.277   2.49 0.643 0.500 0.235 1.329     237.760     260.000       6.904    8 
-    790000      158000.00      26.932     -70.886     -43.954   1.78 0.571 0.500 0.241 1.501     244.340     260.000       6.797    8 
-    800000      160000.00      29.053     -64.148     -35.095   2.21 0.571 0.579 0.337 4.326     263.582     260.000       6.262    8 
-    810000      162000.00      25.185     -68.474     -43.289   2.40 0.429 0.647 0.257 1.073     228.493     250.000       6.683    8 
-    820000      164000.00      28.143     -59.305     -31.162   2.02 0.643 0.471 0.225 1.624     255.328     250.000       6.580    8 
-    830000      166000.00      25.444     -56.752     -31.308   2.22 0.571 0.467 0.218 2.091     230.841     250.000       6.845    8 
-    840000      168000.00      25.778     -68.304     -42.526   2.08 0.500 0.611 0.258 1.506     233.872     250.000       6.657    8 
-    850000      170000.00      26.811     -59.790     -32.979   2.01 0.500 0.462 0.227 1.090     243.240     250.000       6.653    8 
-    860000      172000.00      29.626     -64.307     -34.681   2.17 0.643 0.526 0.285 2.063     268.785     250.000       6.757    8 
-    870000      174000.00      27.534     -67.037     -39.502   2.66 0.571 0.600 0.257 1.723     249.806     250.000       6.356    8 
-    880000      176000.00      20.814     -71.850     -51.036   2.40 0.571 0.579 0.299 1.134     188.831     250.000       6.640    8 
-    890000      178000.00      26.164     -63.202     -37.038   2.41 0.643 0.500 0.285 1.487     237.374     250.000       6.605    8 
-    900000      180000.00      23.012     -60.536     -37.525   2.54 0.429 0.647 0.342 2.209     208.773     250.000       6.494    8 
-    910000      182000.00      26.158     -62.005     -35.846   2.27 0.500 0.632 0.289 1.212     237.322     250.000       6.446    8 
-    920000      184000.00      23.430     -60.562     -37.131   2.37 0.500 0.632 0.285 2.305     212.572     250.000       6.544    8 
-    930000      186000.00      23.262     -62.092     -38.830   2.44 0.429 0.600 0.318 1.798     211.042     250.000       6.384    8 
-    940000      188000.00      24.944     -63.468     -38.523   2.52 0.429 0.600 0.227 1.827     226.308     250.000       6.361    8 
-    950000      190000.00      23.653     -68.769     -45.117   2.25 0.357 0.688 0.304 0.586     214.588     250.000       6.427    8 
-    960000      192000.00      25.298     -72.826     -47.527   2.53 0.500 0.667 0.333 1.178     229.520     250.000       6.257    8 
-    970000      194000.00      18.976     -62.598     -43.622   2.38 0.429 0.667 0.316 1.954     172.163     250.000       6.418    8 
-    980000      196000.00      23.423     -71.055     -47.632   2.55 0.357 0.706 0.324 2.262     212.508     250.000       6.360    8 
-    990000      198000.00      21.830     -58.357     -36.526   2.66 0.500 0.588 0.310 1.415     198.057     250.000       6.357    8 
-   1000000      200000.00      24.748     -62.948     -38.200   2.21 0.500 0.562 0.287 1.766     224.528     250.000       6.438    8 
+         0           0.00      34.010      24.883      58.893  12.87 0.000   NaN   NaN 0.708     308.559     290.000      15.552    8 
+     10000        2000.00      25.824     -12.279      13.545   6.58 0.143 0.600 0.282 1.788     234.287     290.000       9.137    8 
+     20000        4000.00      22.893     -28.096      -5.203   3.13 0.286 0.667 0.341 2.717     207.695     290.000       7.226    8 
+     30000        6000.00      26.998     -33.058      -6.060   2.48 0.571 0.467 0.330 3.044     244.938     290.000       6.800    8 
+     40000        8000.00      31.643     -29.817       1.826   3.60 0.214 0.571 0.201 1.870     287.084     290.000       7.861    8 
+     50000       10000.00      28.032     -35.208      -7.176   3.02 0.357 0.643 0.331 1.227     254.322     290.000       6.687    8 
+     60000       12000.00      26.633     -43.506     -16.874   3.27 0.429 0.538 0.276 1.795     241.624     290.000       6.582    8 
+     70000       14000.00      23.395     -44.067     -20.672   3.86 0.357 0.643 0.315 0.766     212.253     290.000       7.172    8 
+     80000       16000.00      28.855     -27.392       1.463   6.17 0.214 0.625 0.199 1.777     261.790     290.000       8.430    8 
+     90000       18000.00      28.450     -29.774      -1.324   5.08 0.071 0.889 0.242 1.286     258.115     290.000       7.045    8 
+    100000       20000.00      28.621     -35.911      -7.290   4.52 0.214 0.769 0.245 1.231     259.664     290.000       6.758    8 
+    110000       22000.00      26.739     -44.799     -18.060   6.38 0.357 0.583 0.186 1.488     242.590     270.000       7.778    8 
+    120000       24000.00      21.239     -43.442     -22.203   3.07 0.429 0.571 0.390 1.872     192.695     270.000       6.476    8 
+    130000       26000.00      25.281     -39.572     -14.291   2.73 0.500 0.562 0.264 1.847     229.358     270.000       6.704    8 
+    140000       28000.00      23.504     -37.894     -14.390   2.73 0.286 0.667 0.303 2.881     213.242     270.000       6.837    8 
+    150000       30000.00      24.103     -34.481     -10.378   3.70 0.286 0.692 0.290 3.029     218.672     270.000       6.720    8 
+    160000       32000.00      23.732     -39.631     -15.898   4.11 0.143 0.857 0.312 1.259     215.313     270.000       6.475    8 
+    170000       34000.00      25.714     -37.877     -12.163   3.09 0.286 0.714 0.380 0.816     233.294     270.000       6.605    8 
+    180000       36000.00      21.033     -54.541     -33.508   4.06 0.357 0.750 0.330 0.900     190.822     270.000       6.397    8 
+    190000       38000.00      31.744     -34.885      -3.141   2.03 0.357 0.583 0.167 1.826     287.995     270.000       7.104    8 
+    200000       40000.00      29.259     -48.715     -19.456   2.26 0.357 0.583 0.261 0.718     265.456     270.000       6.765    8 
+    210000       42000.00      22.915     -48.297     -25.381   1.78 0.429 0.538 0.304 0.746     207.898     270.000       6.935    8 
+    220000       44000.00      26.207     -34.779      -8.572   2.89 0.357 0.583 0.277 1.032     237.761     270.000       7.021    8 
+    230000       46000.00      25.100     -49.667     -24.567   2.22 0.357 0.615 0.248 1.489     227.723     270.000       6.514    8 
+    240000       48000.00      28.564     -40.004     -11.441   3.37 0.357 0.643 0.237 1.900     259.145     270.000       6.664    8 
+    250000       50000.00      23.866     -50.128     -26.261   3.27 0.357 0.615 0.297 1.393     216.527     270.000       6.768    8 
+    260000       52000.00      28.573     -39.763     -11.190   3.76 0.143 0.833 0.277 2.583     259.228     270.000       7.040    8 
+    270000       54000.00      26.360     -41.075     -14.715   5.55 0.357 0.615 0.185 1.051     239.151     270.000       7.658    8 
+    280000       56000.00      22.671     -28.776      -6.104   7.16 0.214 0.571 0.169 2.527     205.687     270.000      10.358    8 
+    290000       58000.00      27.331     -37.596     -10.265   3.26 0.286 0.600 0.300 1.988     247.957     270.000       6.862    8 
+    300000       60000.00      30.824     -33.988      -3.165   3.45 0.214 0.625 0.182 2.853     279.649     270.000       7.659    8 
+    310000       62000.00      23.941     -27.375      -3.434   2.74 0.357 0.583 0.311 1.829     217.205     280.000       6.691    8 
+    320000       64000.00      26.022     -35.979      -9.957   2.40 0.357 0.500 0.327 1.072     236.089     280.000       6.851    8 
+    330000       66000.00      19.876     -31.302     -11.426   3.02 0.357 0.583 0.197 2.562     180.325     280.000       6.796    8 
+    340000       68000.00      29.515     -35.630      -6.115   2.75 0.214 0.727 0.310 2.578     267.778     280.000       7.136    8 
+    350000       70000.00      28.390     -32.874      -4.484   3.63 0.429 0.600 0.303 1.718     257.568     280.000       6.732    8 
+    360000       72000.00      33.050     -42.362      -9.313   4.15 0.286 0.750 0.219 1.339     299.842     280.000       6.846    8 
+    370000       74000.00      25.412     -42.106     -16.694   5.42 0.214 0.750 0.311 1.757     230.551     280.000       6.940    8 
+    380000       76000.00      23.246     -29.835      -6.588   4.62 0.357 0.375 0.205 1.098     210.903     280.000       7.644    8 
+    390000       78000.00      29.133     -40.321     -11.188   6.30 0.214 0.750 0.239 0.880     264.306     280.000       6.834    8 
+    400000       80000.00      32.336     -43.239     -10.903   5.75 0.286 0.600 0.195 1.514     293.369     280.000       7.988    8 
+    410000       82000.00      25.492     -43.261     -17.769   2.67 0.286 0.600 0.345 0.718     231.280     270.000       6.726    8 
+    420000       84000.00      25.885     -40.097     -14.212   2.45 0.286 0.636 0.244 2.550     234.842     270.000       6.481    8 
+    430000       86000.00      28.275     -40.051     -11.776   5.54 0.143 0.667 0.174 1.539     256.523     270.000       8.252    8 
+    440000       88000.00      21.372     -51.114     -29.742   2.88 0.286 0.750 0.233 0.956     193.896     270.000       6.892    8 
+    450000       90000.00      28.992     -46.533     -17.541   3.95 0.357 0.722 0.295 1.274     263.035     270.000       6.486    8 
+    460000       92000.00      29.616     -52.422     -22.806   3.29 0.286 0.692 0.283 1.038     268.695     270.000       7.158    8 
+    470000       94000.00      28.407     -47.055     -18.647   3.23 0.357 0.643 0.269 3.167     257.727     270.000       7.033    8 
+    480000       96000.00      32.027     -39.517      -7.491   2.62 0.286 0.636 0.289 2.376     290.561     270.000       6.869    8 
+    490000       98000.00      31.184     -47.865     -16.681   3.95 0.214 0.812 0.301 4.823     282.915     270.000       7.236    8 
+    500000      100000.00      26.569     -37.569     -10.999   3.63 0.214 0.750 0.223 3.383     241.052     270.000       6.945    8 
+    510000      102000.00      24.378     -44.459     -20.081   5.40 0.286 0.600 0.195 2.269     221.172     270.000       7.531    8 
+    520000      104000.00      31.365     -35.676      -4.311   4.11 0.286 0.667 0.390 1.128     284.561     270.000       6.419    8 
+    530000      106000.00      27.737     -53.863     -26.127   3.77 0.357 0.762 0.385 2.889     251.640     270.000       5.977    8 
+    540000      108000.00      34.001     -45.052     -11.050   3.24 0.571 0.467 0.279 1.766     308.479     270.000       6.523    8 
+    550000      110000.00      21.575     -47.497     -25.922   2.08 0.500 0.462 0.231 1.295     195.737     270.000       6.901    8 
+    560000      112000.00      24.209     -43.024     -18.815   3.51 0.286 0.600 0.259 0.674     219.636     270.000       7.296    8 
+    570000      114000.00      21.953     -48.560     -26.607   2.26 0.286 0.667 0.322 1.322     199.168     270.000       6.627    8 
+    580000      116000.00      28.539     -49.149     -20.610   2.31 0.643 0.526 0.306 0.696     258.921     270.000       6.565    8 
+    590000      118000.00      28.680     -37.725      -9.045   2.84 0.429 0.500 0.330 1.363     260.196     270.000       7.152    8 
+    600000      120000.00      28.678     -40.894     -12.216   2.58 0.500 0.462 0.273 2.450     260.181     270.000       6.798    8 
+    610000      122000.00      24.759     -45.835     -21.076   2.83 0.357 0.583 0.269 1.273     224.629     270.000       6.576    8 
+    620000      124000.00      21.495     -40.417     -18.922   5.63 0.286 0.429 0.169 1.033     195.017     270.000       8.191    8 
+    630000      126000.00      25.307     -48.224     -22.918   1.87 0.429 0.500 0.314 1.617     229.595     270.000       6.918    8 
+    640000      128000.00      22.987     -49.779     -26.791   2.76 0.429 0.625 0.281 1.223     208.552     270.000       6.679    8 
+    650000      130000.00      29.210     -41.286     -12.075   3.49 0.286 0.714 0.253 2.615     265.012     270.000       6.481    8 
+    660000      132000.00      25.648     -47.406     -21.758   7.13 0.286 0.636 0.223 0.853     232.695     270.000       7.373    8 
+    670000      134000.00      26.549     -36.546      -9.997   5.11 0.286 0.667 0.273 1.654     240.866     270.000       7.571    8 
+    680000      136000.00      26.839     -38.709     -11.870   4.16 0.357 0.500 0.250 1.354     243.494     270.000       6.982    8 
+    690000      138000.00      24.379     -34.765     -10.387   3.94 0.429 0.455 0.355 1.786     221.175     270.000       7.050    8 
+    700000      140000.00      30.747     -44.554     -13.808   4.60 0.357 0.688 0.327 2.514     278.949     270.000       7.155    8 
+    710000      142000.00      22.499     -44.604     -22.105   4.21 0.357 0.375 0.222 1.113     204.120     270.000       7.187    8 
+    720000      144000.00      26.294     -43.161     -16.867   5.89 0.214 0.727 0.236 1.371     238.556     270.000       6.650    8 
+    730000      146000.00      29.217     -43.603     -14.386   2.73 0.286 0.667 0.379 2.960     265.070     270.000       6.878    8 
+    740000      148000.00      21.278     -51.103     -29.824   2.41 0.500 0.588 0.294 1.094     193.046     270.000       6.544    8 
+    750000      150000.00      24.253     -26.202      -1.949   3.07 0.143 0.750 0.261 1.827     220.032     270.000       6.807    8 
+    760000      152000.00      21.981     -49.448     -27.468   3.81 0.357 0.737 0.325 1.716     199.421     270.000       6.578    8 
+    770000      154000.00      29.199     -51.426     -22.228   3.93 0.429 0.667 0.351 1.210     264.906     270.000       6.461    8 
+    780000      156000.00      25.376     -43.737     -18.362   3.45 0.571 0.529 0.374 1.961     230.221     270.000       6.332    8 
+    790000      158000.00      29.008     -47.245     -18.237   3.44 0.286 0.636 0.318 1.136     263.172     270.000       6.651    8 
+    800000      160000.00      20.851     -39.758     -18.906   3.20 0.286 0.636 0.202 3.358     189.173     270.000       7.267    8 
+    810000      162000.00      24.687     -41.147     -16.460   3.32 0.500 0.562 0.290 1.620     223.969     270.000       7.070    8 
+    820000      164000.00      26.013     -47.824     -21.811   3.12 0.357 0.688 0.241 2.269     236.002     270.000       6.949    8 
+    830000      166000.00      22.354     -46.541     -24.188   2.92 0.357 0.615 0.266 1.336     202.805     270.000       7.246    8 
+    840000      168000.00      27.337     -37.290      -9.954   3.01 0.357 0.615 0.238 1.824     248.013     270.000       7.456    8 
+    850000      170000.00      29.636     -44.544     -14.909   3.61 0.500 0.533 0.267 2.076     268.871     270.000       6.923    8 
+    860000      172000.00      25.362     -49.684     -24.322   2.92 0.286 0.714 0.396 1.740     230.096     270.000       6.958    8 
+    870000      174000.00      28.445     -35.279      -6.834   3.32 0.214 0.750 0.295 2.477     258.071     270.000       6.726    8 
+    880000      176000.00      22.596     -50.664     -28.068   3.21 0.429 0.571 0.263 1.959     205.005     270.000       6.639    8 
+    890000      178000.00      30.382     -56.721     -26.340   3.13 0.429 0.571 0.295 2.171     275.637     270.000       6.508    8 
+    900000      180000.00      24.071     -46.777     -22.705   3.31 0.357 0.688 0.347 1.404     218.388     270.000       6.830    8 
+    910000      182000.00      28.190     -49.969     -21.779   3.58 0.357 0.706 0.332 1.710     255.752     270.000       6.638    8 
+    920000      184000.00      26.222     -42.006     -15.784   3.06 0.286 0.600 0.236 0.931     237.898     270.000       7.017    8 
+    930000      186000.00      22.017     -44.909     -22.892   2.25 0.429 0.625 0.250 2.016     199.751     270.000       6.781    8 
+    940000      188000.00      24.931     -48.410     -23.480   3.53 0.286 0.692 0.308 2.516     226.183     270.000       7.253    8 
+    950000      190000.00      24.865     -36.338     -11.474   5.43 0.286 0.636 0.289 2.106     225.585     270.000       6.968    8 
+    960000      192000.00      18.810     -37.734     -18.923   4.41 0.214 0.667 0.308 2.345     170.658     270.000       7.058    8 
+    970000      194000.00      24.058     -31.722      -7.664   6.34 0.286 0.636 0.277 2.391     218.262     270.000       6.803    8 
+    980000      196000.00      27.621     -39.485     -11.864   5.89 0.143 0.818 0.202 1.361     250.589     270.000       7.701    8 
+    990000      198000.00      32.704     -41.447      -8.743   5.00 0.286 0.667 0.352 2.918     296.703     270.000       6.949    8 
+   1000000      200000.00      29.899     -47.255     -17.356   5.00 0.357 0.545 0.289 1.185     271.259     270.000       6.998    8 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB009.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB009.stat
index 8e8ad21..72200aa 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB009.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB009.stat
@@ -1,101 +1,101 @@
-         0           0.00      26.633      21.354      47.987  12.87 0.000   NaN   NaN 0.937     241.626     270.000      15.552    9 
-     10000        2000.00      27.041     -40.086     -13.045   5.48 0.143 0.750 0.347 0.984     245.328     270.000       8.489    9 
-     20000        4000.00      26.255     -35.056      -8.801   5.64 0.143 0.778 0.434 1.447     238.197     270.000       8.352    9 
-     30000        6000.00      30.440     -35.203      -4.763   5.56 0.071 0.875 0.403 1.261     276.166     270.000       7.961    9 
-     40000        8000.00      27.264     -37.358     -10.095   5.73 0.286 0.636 0.434 1.918     247.349     270.000       7.123    9 
-     50000       10000.00      25.082     -48.529     -23.447   4.94 0.143 0.818 0.467 1.446     227.553     270.000       7.002    9 
-     60000       12000.00      26.409     -38.942     -12.533   4.99 0.143 0.778 0.424 1.423     239.597     270.000       6.749    9 
-     70000       14000.00      25.236     -36.042     -10.806   5.12 0.214 0.800 0.397 2.720     228.956     270.000       6.825    9 
-     80000       16000.00      26.146     -29.928      -3.782   6.17 0.143 0.778 0.460 1.581     237.209     270.000       8.968    9 
-     90000       18000.00      23.250     -41.980     -18.730   5.54 0.071 0.909 0.314 1.295     210.935     270.000       7.380    9 
-    100000       20000.00      21.197     -40.328     -19.131   5.04 0.071 0.889 0.354 1.415     192.310     270.000       7.199    9 
-    110000       22000.00      20.349     -40.203     -19.853   5.13 0.214 0.667 0.338 1.496     184.620     250.000       7.019    9 
-    120000       24000.00      22.549     -54.867     -32.318   4.54 0.357 0.667 0.415 2.162     204.578     250.000       6.658    9 
-    130000       26000.00      28.521     -51.650     -23.129   5.30 0.286 0.778 0.336 1.324     258.756     250.000       6.277    9 
-    140000       28000.00      26.359     -59.281     -32.921   4.41 0.214 0.786 0.370 1.828     239.145     250.000       6.724    9 
-    150000       30000.00      17.215     -55.474     -38.259   4.44 0.214 0.750 0.341 1.289     156.186     250.000       6.965    9 
-    160000       32000.00      23.448     -59.565     -36.116   4.29 0.214 0.769 0.364 1.675     212.735     250.000       6.824    9 
-    170000       34000.00      21.200     -43.184     -21.984   4.87 0.214 0.700 0.295 1.405     192.341     250.000       7.399    9 
-    180000       36000.00      25.731     -48.587     -22.856   5.08 0.143 0.818 0.364 2.058     233.449     250.000       6.406    9 
-    190000       38000.00      19.533     -57.354     -37.822   5.23 0.357 0.737 0.335 1.423     177.210     250.000       6.170    9 
-    200000       40000.00      26.851     -64.374     -37.523   5.20 0.286 0.765 0.401 1.377     243.607     250.000       6.212    9 
-    210000       42000.00      25.970     -47.085     -21.115   4.62 0.286 0.692 0.343 1.220     235.616     250.000       6.786    9 
-    220000       44000.00      19.191     -53.873     -34.682   5.20 0.286 0.765 0.356 2.799     174.110     250.000       6.212    9 
-    230000       46000.00      21.277     -53.305     -32.029   4.69 0.286 0.750 0.372 1.962     193.032     250.000       6.634    9 
-    240000       48000.00      24.619     -62.759     -38.140   4.74 0.214 0.700 0.332 1.654     223.360     250.000       7.249    9 
-    250000       50000.00      23.344     -56.035     -32.691   4.90 0.357 0.667 0.406 1.163     211.790     250.000       6.408    9 
-    260000       52000.00      23.672     -52.263     -28.590   5.28 0.214 0.786 0.383 2.007     214.766     250.000       6.283    9 
-    270000       54000.00      22.908     -57.784     -34.876   5.00 0.143 0.895 0.402 1.428     207.829     250.000       6.195    9 
-    280000       56000.00      34.111     -41.975      -7.865   4.98 0.214 0.750 0.250 1.494     309.470     250.000       6.998    9 
-    290000       58000.00      26.503     -58.363     -31.860   6.02 0.143 0.867 0.300 1.019     240.451     250.000       6.675    9 
-    300000       60000.00      28.589     -58.143     -29.554   6.11 0.286 0.733 0.285 2.144     259.371     250.000       6.610    9 
-    310000       62000.00      23.827     -62.392     -38.565   5.68 0.286 0.692 0.385 1.553     216.170     260.000       6.534    9 
-    320000       64000.00      28.941     -55.920     -26.979   5.67 0.071 0.933 0.294 1.367     262.570     260.000       6.525    9 
-    330000       66000.00      29.710     -64.609     -34.899   5.68 0.286 0.714 0.289 1.490     269.544     260.000       6.622    9 
-    340000       68000.00      34.202     -57.332     -23.130   5.13 0.357 0.615 0.206 1.453     310.297     260.000       7.834    9 
-    350000       70000.00      29.037     -52.746     -23.710   5.88 0.286 0.556 0.187 2.379     263.435     260.000       7.615    9 
-    360000       72000.00      24.643     -72.685     -48.042   2.17 0.357 0.737 0.275 1.602     223.575     260.000       6.384    9 
-    370000       74000.00      27.327     -66.653     -39.325   2.70 0.500 0.682 0.308 1.545     247.928     260.000       6.292    9 
-    380000       76000.00      36.571     -61.500     -24.929   2.52 0.429 0.625 0.332 0.811     331.796     260.000       6.389    9 
-    390000       78000.00      21.910     -54.880     -32.970   2.41 0.286 0.733 0.297 0.759     198.777     260.000       6.673    9 
-    400000       80000.00      24.501     -61.960     -37.459   2.37 0.357 0.722 0.285 1.419     222.285     260.000       6.295    9 
-    410000       82000.00      22.990     -55.449     -32.459   2.23 0.429 0.600 0.267 2.015     208.579     260.000       6.631    9 
-    420000       84000.00      22.117     -61.671     -39.553   3.12 0.286 0.750 0.290 1.943     200.659     260.000       6.594    9 
-    430000       86000.00      25.452     -49.408     -23.956   3.18 0.357 0.615 0.339 2.141     230.910     260.000       6.524    9 
-    440000       88000.00      26.385     -61.599     -35.213   3.26 0.429 0.625 0.259 1.344     239.381     260.000       6.545    9 
-    450000       90000.00      24.623     -57.938     -33.314   2.63 0.429 0.500 0.201 1.763     223.396     260.000       7.242    9 
-    460000       92000.00      21.989     -58.308     -36.319   1.70 0.500 0.533 0.297 1.046     199.491     260.000       6.737    9 
-    470000       94000.00      24.077     -71.425     -47.348   1.83 0.500 0.533 0.273 2.183     218.441     260.000       6.842    9 
-    480000       96000.00      25.872     -64.574     -38.702   2.86 0.571 0.579 0.318 1.745     234.724     260.000       6.259    9 
-    490000       98000.00      28.515     -62.180     -33.665   2.10 0.571 0.529 0.230 1.276     258.699     260.000       6.931    9 
-    500000      100000.00      28.461     -53.363     -24.901   4.94 0.286 0.692 0.203 2.339     258.217     260.000       7.386    9 
-    510000      102000.00      23.004     -59.708     -36.704   2.62 0.571 0.500 0.267 1.403     208.701     270.000       6.407    9 
-    520000      104000.00      28.294     -42.045     -13.751   3.41 0.357 0.688 0.270 1.977     256.699     270.000       6.816    9 
-    530000      106000.00      28.784     -44.835     -16.050   2.61 0.357 0.583 0.208 1.372     261.147     270.000       6.867    9 
-    540000      108000.00      26.705     -53.570     -26.865   2.86 0.571 0.529 0.307 1.604     242.282     270.000       6.429    9 
-    550000      110000.00      31.309     -58.214     -26.905   2.36 0.500 0.588 0.294 1.885     284.051     270.000       6.426    9 
-    560000      112000.00      28.299     -59.755     -31.457   2.58 0.429 0.571 0.325 1.549     256.741     270.000       6.629    9 
-    570000      114000.00      28.021     -55.862     -27.841   2.53 0.571 0.556 0.301 1.011     254.220     270.000       6.382    9 
-    580000      116000.00      26.220     -59.337     -33.117   2.65 0.500 0.632 0.337 2.589     237.878     270.000       6.414    9 
-    590000      118000.00      22.163     -56.768     -34.605   2.31 0.571 0.556 0.308 2.477     201.071     270.000       6.397    9 
-    600000      120000.00      23.376     -62.394     -39.018   2.27 0.500 0.500 0.325 1.144     212.080     270.000       6.510    9 
-    610000      122000.00      23.501     -54.006     -30.506   2.31 0.429 0.647 0.275 1.885     213.211     260.000       6.592    9 
-    620000      124000.00      30.068     -73.579     -43.511   2.26 0.500 0.667 0.329 1.397     272.791     260.000       6.312    9 
-    630000      126000.00      20.157     -63.809     -43.653   2.69 0.357 0.762 0.372 1.143     182.874     260.000       6.294    9 
-    640000      128000.00      26.017     -60.243     -34.226   2.25 0.429 0.647 0.249 1.792     236.035     260.000       6.718    9 
-    650000      130000.00      23.290     -54.766     -31.477   2.82 0.500 0.500 0.299 0.817     211.297     260.000       6.466    9 
-    660000      132000.00      27.488     -63.119     -35.631   2.20 0.643 0.591 0.295 1.091     249.386     260.000       6.375    9 
-    670000      134000.00      31.996     -70.927     -38.931   2.64 0.500 0.611 0.354 1.490     290.282     260.000       6.270    9 
-    680000      136000.00      23.847     -62.415     -38.569   3.14 0.429 0.667 0.280 1.781     216.348     260.000       6.337    9 
-    690000      138000.00      27.838     -55.614     -27.776   2.75 0.357 0.688 0.321 2.732     252.558     260.000       6.133    9 
-    700000      140000.00      28.643     -65.437     -36.794   2.23 0.357 0.688 0.290 2.280     259.860     260.000       6.316    9 
-    710000      142000.00      24.989     -58.734     -33.745   2.51 0.571 0.579 0.299 1.140     226.710     260.000       6.373    9 
-    720000      144000.00      21.640     -68.721     -47.082   2.39 0.500 0.667 0.294 1.178     196.328     260.000       6.416    9 
-    730000      146000.00      17.667     -61.799     -44.131   3.42 0.429 0.714 0.310 1.961     160.287     260.000       6.375    9 
-    740000      148000.00      25.660     -61.907     -36.246   2.74 0.643 0.591 0.295 2.070     232.803     260.000       6.505    9 
-    750000      150000.00      31.651     -62.911     -31.259   2.52 0.500 0.588 0.345 1.890     287.158     260.000       6.385    9 
-    760000      152000.00      24.393     -57.093     -32.699   2.79 0.357 0.688 0.321 1.677     221.307     260.000       6.591    9 
-    770000      154000.00      27.574     -63.925     -36.351   2.65 0.571 0.467 0.206 2.149     250.162     260.000       6.752    9 
-    780000      156000.00      25.423     -57.992     -32.569   3.20 0.357 0.688 0.293 2.308     230.648     260.000       6.513    9 
-    790000      158000.00      24.382     -67.425     -43.043   2.61 0.429 0.714 0.325 1.069     221.210     260.000       6.427    9 
-    800000      160000.00      21.656     -52.107     -30.451   3.72 0.286 0.667 0.341 1.061     196.475     260.000       6.211    9 
-    810000      162000.00      31.886     -43.804     -11.918   4.62 0.357 0.667 0.327 1.700     289.287     290.000       6.686    9 
-    820000      164000.00      19.113     -38.741     -19.628   5.22 0.214 0.812 0.341 0.813     173.403     290.000       7.214    9 
-    830000      166000.00      34.064     -33.646       0.417   6.77 0.286 0.714 0.357 0.704     309.042     290.000       6.799    9 
-    840000      168000.00      32.303     -33.221      -0.918   4.58 0.429 0.500 0.337 3.106     293.067     290.000       7.453    9 
-    850000      170000.00      31.193     -27.449       3.745   7.00 0.143 0.333 0.136 1.697     283.002     290.000       9.244    9 
-    860000      172000.00      35.272     -34.587       0.686   7.31 0.143 0.750 0.188 1.618     320.008     290.000       8.472    9 
-    870000      174000.00      32.743     -45.795     -13.052   1.85 0.571 0.429 0.344 1.203     297.060     290.000       6.784    9 
-    880000      176000.00      28.863     -40.963     -12.100   3.39 0.500 0.462 0.248 2.011     261.859     290.000       6.738    9 
-    890000      178000.00      25.662     -36.593     -10.930   4.82 0.214 0.667 0.263 1.342     232.822     290.000       6.658    9 
-    900000      180000.00      30.630     -49.850     -19.221   4.03 0.286 0.556 0.192 1.054     277.887     290.000       7.570    9 
-    910000      182000.00      32.923     -55.421     -22.498   2.09 0.286 0.733 0.303 1.216     298.696     280.000       6.450    9 
-    920000      184000.00      29.944     -42.759     -12.815   3.40 0.357 0.583 0.261 1.433     271.670     280.000       6.906    9 
-    930000      186000.00      24.035     -42.419     -18.385   6.81 0.286 0.667 0.212 0.861     218.054     280.000       7.261    9 
-    940000      188000.00      31.366     -51.058     -19.692   5.66 0.214 0.833 0.258 1.447     284.569     280.000       6.858    9 
-    950000      190000.00      26.063     -52.387     -26.324   6.22 0.214 0.750 0.220 1.531     236.461     280.000       7.207    9 
-    960000      192000.00      22.735     -36.270     -13.535   5.04 0.214 0.625 0.170 2.128     206.265     280.000       8.513    9 
-    970000      194000.00      25.568     -45.907     -20.339   2.45 0.357 0.643 0.205 1.827     231.968     280.000       6.820    9 
-    980000      196000.00      26.256     -49.230     -22.974   2.06 0.429 0.647 0.267 1.685     238.206     280.000       6.473    9 
-    990000      198000.00      34.867     -45.521     -10.654   4.06 0.286 0.692 0.287 2.566     316.334     280.000       6.974    9 
-   1000000      200000.00      25.571     -40.256     -14.685   7.27 0.071 0.833 0.205 2.425     231.996     280.000       8.321    9 
+         0           0.00      26.387      24.883      51.269  12.87 0.000   NaN   NaN 0.708     239.392     290.000      15.552    9 
+     10000        2000.00      28.476     -44.490     -16.014   4.01 0.286 0.429 0.247 1.404     258.351     290.000       6.887    9 
+     20000        4000.00      23.284     -36.580     -13.297   3.23 0.500 0.533 0.309 2.018     211.241     290.000       6.497    9 
+     30000        6000.00      29.795     -28.186       1.609   4.00 0.286 0.500 0.301 1.398     270.313     290.000       7.230    9 
+     40000        8000.00      26.660     -38.893     -12.233   3.14 0.214 0.667 0.439 1.451     241.878     290.000       6.958    9 
+     50000       10000.00      28.714     -40.104     -11.390   2.30 0.429 0.571 0.214 1.032     260.506     290.000       7.249    9 
+     60000       12000.00      26.666     -31.609      -4.944   3.27 0.214 0.500 0.159 1.115     241.924     290.000       8.183    9 
+     70000       14000.00      28.176     -32.354      -4.178   4.42 0.071 0.750 0.261 1.742     255.628     290.000       7.268    9 
+     80000       16000.00      21.973     -23.116      -1.143   5.72 0.143 0.500 0.216 1.279     199.352     290.000       7.980    9 
+     90000       18000.00      27.084     -37.983     -10.900   4.93 0.286 0.692 0.301 1.183     245.716     290.000       6.593    9 
+    100000       20000.00      30.591     -29.511       1.080   3.81 0.286 0.429 0.234 2.288     277.535     290.000       8.402    9 
+    110000       22000.00      31.437     -19.816      11.621   4.23 0.214 0.500 0.174 1.590     285.215     290.000       8.145    9 
+    120000       24000.00      37.088     -38.982      -1.894   6.29 0.286 0.429 0.182 0.841     336.484     290.000       7.960    9 
+    130000       26000.00      23.489     -39.744     -16.255   5.48 0.429 0.625 0.338 1.773     213.106     290.000       6.879    9 
+    140000       28000.00      29.750     -32.457      -2.708   4.95 0.143 0.800 0.227 1.204     269.904     290.000       7.136    9 
+    150000       30000.00      23.602     -35.115     -11.513   4.69 0.214 0.571 0.227 2.670     214.126     290.000       7.324    9 
+    160000       32000.00      30.458     -26.296       4.161   5.43 0.357 0.375 0.170 2.806     276.327     290.000       8.479    9 
+    170000       34000.00      20.780     -38.742     -17.963   7.31 0.214 0.750 0.242 1.665     188.523     290.000       7.593    9 
+    180000       36000.00      31.956     -41.274      -9.318   7.27 0.071 0.889 0.247 1.533     289.918     290.000       7.099    9 
+    190000       38000.00      29.621     -33.818      -4.197   5.35 0.357 0.615 0.308 2.193     268.736     290.000       7.159    9 
+    200000       40000.00      37.359     -34.705       2.654   5.20 0.071 0.857 0.247 1.262     338.938     290.000       8.150    9 
+    210000       42000.00      26.413     -30.016      -3.603   4.15 0.214 0.700 0.386 1.174     239.635     290.000       7.756    9 
+    220000       44000.00      28.719     -25.234       3.486   3.01 0.214 0.700 0.382 1.020     260.558     290.000       7.250    9 
+    230000       46000.00      23.541     -39.414     -15.873   3.69 0.500 0.533 0.261 2.032     213.579     290.000       6.652    9 
+    240000       48000.00      23.100     -29.291      -6.191   2.41 0.429 0.571 0.221 1.422     209.573     290.000       7.023    9 
+    250000       50000.00      27.040     -37.159     -10.119   3.68 0.214 0.727 0.260 1.752     245.317     290.000       6.872    9 
+    260000       52000.00      27.086     -30.901      -3.815   4.79 0.286 0.556 0.202 1.101     245.737     290.000       7.321    9 
+    270000       54000.00      27.469     -41.586     -14.117   4.58 0.143 0.714 0.201 1.299     249.217     290.000       7.740    9 
+    280000       56000.00      24.468     -34.697     -10.229   4.21 0.357 0.615 0.227 1.553     221.986     290.000       7.067    9 
+    290000       58000.00      25.422     -28.722      -3.300   5.70 0.143 0.500 0.182 1.508     230.640     290.000       8.011    9 
+    300000       60000.00      31.729     -40.348      -8.619   5.83 0.214 0.824 0.310 1.388     287.861     290.000       6.617    9 
+    310000       62000.00      25.826     -31.089      -5.263   4.95 0.214 0.727 0.248 1.125     234.303     280.000       6.799    9 
+    320000       64000.00      27.679     -37.348      -9.669   4.44 0.357 0.444 0.182 2.764     251.120     280.000       7.769    9 
+    330000       66000.00      29.848     -30.729      -0.881   3.50 0.143 0.667 0.333 1.554     270.795     280.000       7.799    9 
+    340000       68000.00      24.073     -44.767     -20.694   4.37 0.286 0.765 0.321 1.474     218.406     280.000       6.485    9 
+    350000       70000.00      30.900     -40.058      -9.158   3.46 0.286 0.636 0.256 1.617     280.339     280.000       6.805    9 
+    360000       72000.00      25.631     -28.029      -2.398   3.28 0.214 0.625 0.182 1.645     232.539     280.000       6.899    9 
+    370000       74000.00      26.276     -25.546       0.731   7.00 0.286 0.500 0.188 2.907     238.393     280.000       7.696    9 
+    380000       76000.00      27.998     -41.504     -13.506   3.38 0.571 0.500 0.293 1.145     254.015     280.000       6.833    9 
+    390000       78000.00      21.995     -36.611     -14.615   5.98 0.214 0.700 0.214 1.354     199.552     280.000       8.473    9 
+    400000       80000.00      27.431     -37.013      -9.582   7.08 0.214 0.625 0.188 1.401     248.865     280.000       7.595    9 
+    410000       82000.00      27.672     -38.317     -10.645   2.42 0.571 0.467 0.291 4.967     251.054     280.000       6.719    9 
+    420000       84000.00      27.696     -30.639      -2.943   3.33 0.286 0.636 0.240 0.907     251.270     280.000       6.825    9 
+    430000       86000.00      27.719     -37.500      -9.781   3.75 0.286 0.556 0.323 1.227     251.483     280.000       6.924    9 
+    440000       88000.00      28.960     -45.813     -16.853   4.42 0.214 0.769 0.357 1.979     262.744     280.000       6.598    9 
+    450000       90000.00      32.024     -45.603     -13.579   3.88 0.214 0.700 0.423 1.243     290.537     280.000       6.676    9 
+    460000       92000.00      25.200     -40.705     -15.504   3.59 0.286 0.556 0.374 3.213     228.630     280.000       7.508    9 
+    470000       94000.00      35.442     -35.536      -0.095   3.84 0.429 0.400 0.368 1.954     321.545     280.000       7.175    9 
+    480000       96000.00      29.754     -47.891     -18.137   3.02 0.429 0.500 0.318 1.636     269.945     280.000       7.205    9 
+    490000       98000.00      24.897     -31.643      -6.746   3.01 0.286 0.667 0.326 1.145     225.878     280.000       7.193    9 
+    500000      100000.00      27.266     -40.340     -13.075   4.50 0.143 0.750 0.295 2.031     247.368     280.000       8.101    9 
+    510000      102000.00      23.665     -38.044     -14.379   4.96 0.214 0.700 0.350 3.087     214.700     280.000       7.130    9 
+    520000      104000.00      25.403     -34.679      -9.276   4.60 0.500 0.562 0.364 0.920     230.469     280.000       7.130    9 
+    530000      106000.00      29.050     -44.362     -15.312   3.15 0.214 0.800 0.288 0.618     263.561     280.000       6.578    9 
+    540000      108000.00      25.509     -36.655     -11.146   3.79 0.357 0.444 0.182 1.389     231.429     280.000       8.049    9 
+    550000      110000.00      31.944     -44.914     -12.970   4.33 0.286 0.600 0.414 1.901     289.812     280.000       7.038    9 
+    560000      112000.00      36.076     -41.004      -4.929   5.07 0.286 0.692 0.308 1.281     327.297     280.000       7.219    9 
+    570000      114000.00      25.235     -34.253      -9.018   5.25 0.286 0.333 0.205 0.942     228.945     280.000       7.861    9 
+    580000      116000.00      25.836     -41.026     -15.190   4.50 0.214 0.750 0.186 0.991     234.393     280.000       7.390    9 
+    590000      118000.00      27.603     -22.318       5.285   4.30 0.143 0.750 0.210 2.086     250.429     280.000       7.573    9 
+    600000      120000.00      31.463     -27.289       4.174   6.39 0.071 0.667 0.167 1.938     285.450     280.000       7.477    9 
+    610000      122000.00      24.732     -31.095      -6.363   4.28 0.286 0.636 0.302 1.718     224.386     280.000       7.305    9 
+    620000      124000.00      27.964     -25.036       2.929   3.43 0.286 0.636 0.260 1.904     253.707     280.000       7.435    9 
+    630000      126000.00      26.335     -43.472     -17.137   2.65 0.571 0.500 0.352 1.631     238.928     280.000       6.967    9 
+    640000      128000.00      26.721     -39.591     -12.871   2.35 0.500 0.364 0.219 2.300     242.426     280.000       7.209    9 
+    650000      130000.00      26.525     -40.798     -14.273   3.96 0.214 0.750 0.379 1.196     240.648     280.000       6.758    9 
+    660000      132000.00      20.836     -43.932     -23.096   4.15 0.357 0.688 0.395 2.314     189.038     280.000       6.329    9 
+    670000      134000.00      35.112     -32.678       2.434   2.69 0.429 0.500 0.265 1.052     318.553     280.000       6.875    9 
+    680000      136000.00      29.894     -39.444      -9.549   3.92 0.286 0.600 0.405 1.316     271.218     280.000       7.232    9 
+    690000      138000.00      31.079     -40.234      -9.155   4.54 0.214 0.750 0.322 1.391     281.968     280.000       6.920    9 
+    700000      140000.00      21.852     -42.750     -20.898   3.43 0.429 0.538 0.315 0.808     198.250     280.000       7.540    9 
+    710000      142000.00      22.578     -48.609     -26.031   2.94 0.429 0.571 0.308 1.904     204.841     260.000       6.851    9 
+    720000      144000.00      20.073     -52.341     -32.269   2.50 0.500 0.500 0.256 1.527     182.111     260.000       6.731    9 
+    730000      146000.00      30.956     -57.992     -27.036   2.84 0.286 0.733 0.294 2.550     280.846     260.000       6.727    9 
+    740000      148000.00      23.038     -47.325     -24.288   3.28 0.286 0.714 0.305 2.258     209.009     260.000       6.533    9 
+    750000      150000.00      24.445     -40.977     -16.533   3.08 0.571 0.556 0.290 1.585     221.773     260.000       6.970    9 
+    760000      152000.00      24.612     -53.839     -29.227   3.20 0.214 0.786 0.240 2.076     223.290     260.000       7.011    9 
+    770000      154000.00      27.934     -57.602     -29.668   3.16 0.143 0.882 0.345 1.080     253.432     260.000       6.731    9 
+    780000      156000.00      23.718     -43.924     -20.206   3.70 0.143 0.778 0.202 0.999     215.185     260.000       7.754    9 
+    790000      158000.00      21.330     -55.774     -34.444   2.81 0.357 0.643 0.188 1.345     193.515     260.000       6.757    9 
+    800000      160000.00      31.626     -41.521      -9.896   4.39 0.214 0.750 0.258 1.826     286.925     260.000       7.292    9 
+    810000      162000.00      25.989     -47.783     -21.794   2.97 0.286 0.667 0.277 2.235     235.784     260.000       6.922    9 
+    820000      164000.00      26.855     -48.314     -21.459   3.16 0.143 0.818 0.314 1.454     243.641     260.000       7.070    9 
+    830000      166000.00      31.676     -59.343     -27.667   2.95 0.571 0.556 0.280 1.452     287.381     260.000       6.959    9 
+    840000      168000.00      19.880     -47.688     -27.808   2.97 0.429 0.700 0.352 0.918     180.361     260.000       6.701    9 
+    850000      170000.00      33.379     -56.089     -22.710   2.72 0.500 0.632 0.278 1.417     302.836     260.000       6.696    9 
+    860000      172000.00      22.647     -57.605     -34.958   2.78 0.429 0.625 0.259 1.133     205.462     260.000       6.899    9 
+    870000      174000.00      27.001     -49.472     -22.471   2.82 0.500 0.462 0.343 1.059     244.970     260.000       7.165    9 
+    880000      176000.00      25.185     -48.317     -23.132   3.01 0.286 0.667 0.273 1.287     228.494     260.000       7.422    9 
+    890000      178000.00      21.607     -48.270     -26.663   2.67 0.286 0.692 0.255 2.467     196.029     260.000       6.885    9 
+    900000      180000.00      24.381     -52.473     -28.091   3.32 0.429 0.571 0.289 2.475     221.200     260.000       7.111    9 
+    910000      182000.00      25.678     -48.521     -22.842   3.37 0.571 0.636 0.318 5.014     232.968     260.000       6.786    9 
+    920000      184000.00      23.789     -50.490     -26.700   3.13 0.286 0.750 0.318 2.293     215.827     260.000       6.902    9 
+    930000      186000.00      21.810     -49.858     -28.049   3.16 0.286 0.714 0.273 2.155     197.869     260.000       7.131    9 
+    940000      188000.00      24.206     -50.972     -26.766   3.14 0.286 0.667 0.273 1.555     219.610     260.000       6.769    9 
+    950000      190000.00      29.793     -49.373     -19.581   3.05 0.357 0.643 0.279 1.805     270.295     260.000       6.672    9 
+    960000      192000.00      22.227     -48.094     -25.867   3.14 0.286 0.733 0.248 1.276     201.654     260.000       6.988    9 
+    970000      194000.00      20.632     -45.258     -24.627   2.95 0.286 0.667 0.280 1.762     187.183     260.000       6.850    9 
+    980000      196000.00      30.616     -53.169     -22.552   2.58 0.429 0.600 0.279 1.952     277.767     260.000       6.816    9 
+    990000      198000.00      26.744     -60.863     -34.119   2.98 0.429 0.714 0.253 2.166     242.638     260.000       6.482    9 
+   1000000      200000.00      24.210     -43.979     -19.770   2.99 0.500 0.533 0.270 1.344     219.642     260.000       7.079    9 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB010.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB010.stat
index 0a61ce5..cfc5622 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB010.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB010.stat
@@ -1,101 +1,101 @@
-         0           0.00      38.137      21.354      59.491  12.87 0.000   NaN   NaN 0.937     345.995     270.000      15.552   10 
-     10000        2000.00      25.785     -44.892     -19.106   3.77 0.143 0.875 0.307 2.058     233.936     270.000       6.578   10 
-     20000        4000.00      26.791     -52.720     -25.929   6.11 0.214 0.769 0.318 1.756     243.058     270.000       6.509   10 
-     30000        6000.00      25.820     -54.822     -29.002   5.09 0.214 0.786 0.269 1.515     234.250     270.000       6.587   10 
-     40000        8000.00      29.023     -61.874     -32.851   5.26 0.357 0.643 0.198 1.242     263.312     270.000       6.993   10 
-     50000       10000.00      27.953     -48.958     -21.005   4.07 0.214 0.769 0.336 1.656     253.603     270.000       6.825   10 
-     60000       12000.00      23.132     -59.510     -36.379   4.27 0.429 0.500 0.227 1.161     209.862     270.000       7.039   10 
-     70000       14000.00      24.883     -46.666     -21.783   6.25 0.143 0.800 0.227 2.893     225.748     270.000       7.035   10 
-     80000       16000.00      21.883     -58.669     -36.786   5.00 0.286 0.714 0.256 1.432     198.533     270.000       6.742   10 
-     90000       18000.00      24.856     -45.618     -20.762   3.84 0.286 0.500 0.227 1.122     225.506     270.000       7.435   10 
-    100000       20000.00      23.466     -42.864     -19.399   4.32 0.143 0.818 0.269 2.580     212.895     270.000       6.796   10 
-    110000       22000.00      25.742     -61.354     -35.613   6.13 0.286 0.714 0.266 1.880     233.542     260.000       6.475   10 
-    120000       24000.00      24.214     -56.840     -32.627   6.80 0.286 0.692 0.280 3.106     219.677     260.000       6.556   10 
-    130000       26000.00      28.573     -54.475     -25.902   4.70 0.357 0.667 0.279 2.378     259.225     260.000       7.104   10 
-    140000       28000.00      27.900     -61.461     -33.561   5.11 0.214 0.750 0.273 0.893     253.122     260.000       6.623   10 
-    150000       30000.00      32.209     -53.786     -21.577   5.56 0.357 0.667 0.264 2.143     292.220     260.000       6.952   10 
-    160000       32000.00      27.161     -47.839     -20.678   4.22 0.286 0.667 0.439 1.464     246.422     260.000       6.977   10 
-    170000       34000.00      22.146     -50.291     -28.145   4.63 0.071 0.933 0.300 1.540     200.916     260.000       6.396   10 
-    180000       36000.00      26.308     -61.109     -34.801   6.13 0.286 0.750 0.281 2.064     238.684     260.000       6.524   10 
-    190000       38000.00      31.849     -61.857     -30.009   5.41 0.500 0.632 0.335 1.371     288.948     260.000       6.704   10 
-    200000       40000.00      24.921     -47.562     -22.641   4.53 0.357 0.583 0.250 1.627     226.097     260.000       6.694   10 
-    210000       42000.00      26.989     -43.104     -16.114   5.23 0.143 0.818 0.298 2.100     244.863     270.000       6.995   10 
-    220000       44000.00      25.451     -46.920     -21.469   5.01 0.429 0.600 0.245 2.331     230.902     270.000       6.744   10 
-    230000       46000.00      20.019     -50.657     -30.637   6.29 0.286 0.733 0.348 2.190     181.627     270.000       6.419   10 
-    240000       48000.00      35.175     -44.852      -9.677   5.59 0.143 0.818 0.215 2.204     319.122     270.000       6.935   10 
-    250000       50000.00      29.417     -44.954     -15.538   7.00 0.429 0.455 0.186 1.699     266.883     270.000       8.770   10 
-    260000       52000.00      23.114     -42.998     -19.884   7.62 0.214 0.727 0.202 1.349     209.702     270.000      10.179   10 
-    270000       54000.00      29.512     -47.361     -17.849   5.35 0.214 0.750 0.223 1.592     267.746     270.000       7.517   10 
-    280000       56000.00      25.874     -52.386     -26.512   4.33 0.357 0.722 0.268 1.447     234.741     270.000       6.445   10 
-    290000       58000.00      23.118     -49.776     -26.658   4.65 0.214 0.786 0.308 1.453     209.741     270.000       6.823   10 
-    300000       60000.00      23.916     -48.639     -24.723   4.27 0.357 0.615 0.262 2.291     216.976     270.000       6.920   10 
-    310000       62000.00      27.237     -62.390     -35.153   3.88 0.214 0.750 0.386 0.921     247.112     260.000       6.706   10 
-    320000       64000.00      23.726     -61.440     -37.714   3.86 0.357 0.688 0.307 1.206     215.255     260.000       6.638   10 
-    330000       66000.00      24.835     -55.066     -30.231   4.17 0.286 0.714 0.266 1.823     225.313     260.000       6.976   10 
-    340000       68000.00      27.488     -59.965     -32.476   3.66 0.143 0.846 0.308 1.132     249.386     260.000       6.849   10 
-    350000       70000.00      26.143     -53.662     -27.519   4.54 0.286 0.714 0.263 1.110     237.185     260.000       6.597   10 
-    360000       72000.00      24.717     -52.898     -28.182   5.06 0.214 0.769 0.238 1.398     224.242     260.000       7.117   10 
-    370000       74000.00      25.270     -52.060     -26.790   4.84 0.357 0.722 0.293 1.705     229.260     260.000       6.720   10 
-    380000       76000.00      26.509     -58.769     -32.260   3.81 0.286 0.667 0.303 2.312     240.502     260.000       6.865   10 
-    390000       78000.00      24.868     -57.475     -32.606   4.75 0.357 0.737 0.309 1.362     225.617     260.000       6.480   10 
-    400000       80000.00      24.910     -58.595     -33.685   4.28 0.429 0.600 0.245 2.169     225.994     260.000       6.490   10 
-    410000       82000.00      28.000     -50.170     -22.170   3.96 0.143 0.818 0.248 0.874     254.030     270.000       7.056   10 
-    420000       84000.00      27.974     -45.542     -17.568   3.48 0.500 0.462 0.252 1.406     253.795     270.000       6.948   10 
-    430000       86000.00      20.955     -53.054     -32.099   6.15 0.071 0.857 0.208 0.846     190.113     270.000       7.776   10 
-    440000       88000.00      30.938     -45.268     -14.330   5.36 0.357 0.667 0.345 1.466     280.685     270.000       6.287   10 
-    450000       90000.00      32.643     -49.092     -16.449   5.02 0.214 0.812 0.310 1.185     296.153     270.000       6.508   10 
-    460000       92000.00      27.926     -55.211     -27.286   4.58 0.286 0.750 0.301 1.904     253.356     270.000       6.260   10 
-    470000       94000.00      24.092     -62.440     -38.347   6.74 0.357 0.667 0.300 2.081     218.576     270.000       6.567   10 
-    480000       96000.00      31.106     -62.393     -31.287   4.93 0.429 0.625 0.236 1.494     282.210     270.000       6.625   10 
-    490000       98000.00      30.765     -53.967     -23.203   5.95 0.214 0.800 0.339 1.399     279.114     270.000       6.769   10 
-    500000      100000.00      35.621     -52.678     -17.057   4.71 0.000 1.000 0.413 1.594     323.173     270.000       6.767   10 
-    510000      102000.00      26.143     -43.209     -17.066   5.24 0.214 0.750 0.201 2.539     237.180     270.000       7.746   10 
-    520000      104000.00      29.712     -54.372     -24.661   5.42 0.286 0.750 0.389 0.766     269.559     270.000       6.857   10 
-    530000      106000.00      20.059     -53.548     -33.489   4.65 0.214 0.750 0.375 0.504     181.988     270.000       6.928   10 
-    540000      108000.00      27.723     -45.851     -18.128   4.83 0.286 0.733 0.364 1.043     251.516     270.000       6.609   10 
-    550000      110000.00      23.931     -39.171     -15.241   4.89 0.214 0.750 0.284 1.257     217.113     270.000       6.435   10 
-    560000      112000.00      30.403     -58.520     -28.117   5.37 0.500 0.533 0.321 1.698     275.836     270.000       6.573   10 
-    570000      114000.00      29.358     -47.399     -18.041   4.13 0.143 0.846 0.329 1.228     266.354     270.000       6.840   10 
-    580000      116000.00      30.478     -56.389     -25.911   3.10 0.429 0.500 0.394 2.552     276.514     270.000       6.276   10 
-    590000      118000.00      20.493     -62.734     -42.242   2.59 0.214 0.750 0.333 2.419     185.920     270.000       6.459   10 
-    600000      120000.00      30.510     -60.105     -29.595   1.99 0.500 0.650 0.270 1.295     276.799     270.000       6.433   10 
-    610000      122000.00      22.285     -46.876     -24.591   4.24 0.143 0.714 0.169 1.286     202.181     270.000       7.452   10 
-    620000      124000.00      23.660     -44.750     -21.090   3.31 0.286 0.636 0.252 2.115     214.658     270.000       6.898   10 
-    630000      126000.00      26.368     -58.019     -31.651   3.42 0.357 0.688 0.278 1.342     239.228     270.000       6.461   10 
-    640000      128000.00      24.301     -52.901     -28.600   3.94 0.286 0.692 0.315 3.023     220.471     270.000       7.281   10 
-    650000      130000.00      30.878     -45.650     -14.772   4.10 0.357 0.667 0.294 2.371     280.144     270.000       7.502   10 
-    660000      132000.00      31.411     -55.861     -24.450   4.28 0.429 0.684 0.333 1.275     284.976     270.000       7.034   10 
-    670000      134000.00      25.344     -56.794     -31.450   3.57 0.429 0.455 0.198 1.091     229.937     270.000       7.216   10 
-    680000      136000.00      29.664     -57.368     -27.704   3.72 0.357 0.762 0.377 1.652     269.128     270.000       6.646   10 
-    690000      138000.00      27.682     -46.163     -18.481   4.25 0.214 0.727 0.293 4.201     251.141     270.000       6.980   10 
-    700000      140000.00      24.959     -55.186     -30.227   3.42 0.500 0.588 0.270 1.488     226.441     270.000       6.808   10 
-    710000      142000.00      25.122     -56.179     -31.057   4.56 0.071 0.923 0.371 1.311     227.918     270.000       6.729   10 
-    720000      144000.00      31.195     -41.921     -10.727   2.91 0.357 0.615 0.227 0.999     283.015     270.000       6.740   10 
-    730000      146000.00      24.975     -52.494     -27.519   3.38 0.286 0.750 0.327 1.568     226.583     270.000       6.444   10 
-    740000      148000.00      31.867     -66.537     -34.670   2.54 0.429 0.700 0.352 1.354     289.115     270.000       6.378   10 
-    750000      150000.00      27.657     -50.942     -23.285   3.18 0.143 0.714 0.182 1.933     250.922     270.000       7.688   10 
-    760000      152000.00      19.693     -43.934     -24.242   5.64 0.143 0.800 0.227 2.062     178.661     270.000       7.922   10 
-    770000      154000.00      18.591     -65.249     -46.658   3.83 0.286 0.667 0.201 1.174     168.666     270.000       7.378   10 
-    780000      156000.00      34.607     -48.164     -13.558   4.44 0.429 0.571 0.318 1.094     313.969     270.000       6.659   10 
-    790000      158000.00      29.792     -64.642     -34.850   6.72 0.286 0.733 0.252 0.884     270.286     270.000       6.742   10 
-    800000      160000.00      21.086     -46.357     -25.271   6.66 0.214 0.727 0.198 2.341     191.307     270.000       8.027   10 
-    810000      162000.00      31.406     -48.620     -17.214   6.98 0.286 0.714 0.221 2.356     284.933     280.000       7.177   10 
-    820000      164000.00      25.500     -39.698     -14.198   4.79 0.286 0.714 0.325 2.064     231.345     280.000       6.587   10 
-    830000      166000.00      36.205     -53.978     -17.773   6.53 0.286 0.765 0.310 1.974     328.475     280.000       6.580   10 
-    840000      168000.00      23.584     -50.441     -26.856   5.63 0.286 0.765 0.310 1.307     213.970     280.000       6.728   10 
-    850000      170000.00      22.607     -55.545     -32.938   6.46 0.143 0.833 0.280 1.055     205.101     280.000       6.931   10 
-    860000      172000.00      34.279     -40.900      -6.622   6.78 0.071 0.875 0.295 1.586     310.992     280.000       7.263   10 
-    870000      174000.00      29.374     -50.838     -21.464   5.40 0.214 0.769 0.301 1.523     266.494     280.000       6.815   10 
-    880000      176000.00      33.266     -52.556     -19.290   6.03 0.214 0.750 0.254 1.288     301.809     280.000       7.212   10 
-    890000      178000.00      28.029     -49.659     -21.629   5.68 0.143 0.800 0.355 1.523     254.296     280.000       6.623   10 
-    900000      180000.00      29.962     -53.387     -23.426   5.32 0.286 0.636 0.298 2.786     271.828     280.000       6.522   10 
-    910000      182000.00      25.752     -53.560     -27.808   5.10 0.214 0.667 0.263 1.789     233.636     280.000       6.931   10 
-    920000      184000.00      25.274     -45.591     -20.317   4.82 0.214 0.700 0.309 1.863     229.297     280.000       6.623   10 
-    930000      186000.00      24.606     -58.958     -34.352   5.63 0.214 0.824 0.326 1.346     223.241     280.000       6.679   10 
-    940000      188000.00      28.940     -39.625     -10.685   4.85 0.286 0.692 0.206 0.667     262.559     280.000       6.719   10 
-    950000      190000.00      29.112     -55.288     -26.176   5.26 0.214 0.800 0.345 1.453     264.122     280.000       6.984   10 
-    960000      192000.00      29.113     -35.446      -6.333   5.42 0.357 0.615 0.245 1.677     264.127     280.000       6.954   10 
-    970000      194000.00      33.603     -51.160     -17.557   5.19 0.357 0.706 0.305 1.905     304.863     280.000       6.626   10 
-    980000      196000.00      28.150     -34.584      -6.434   4.87 0.214 0.727 0.252 2.596     255.393     280.000       7.239   10 
-    990000      198000.00      25.575     -48.266     -22.691   4.58 0.214 0.769 0.290 1.591     232.031     280.000       6.859   10 
-   1000000      200000.00      30.215     -50.332     -20.117   5.28 0.214 0.800 0.361 2.301     274.127     280.000       6.723   10 
+         0           0.00      35.066      24.828      59.894  12.87 0.000   NaN   NaN 0.708     318.139     300.000      15.552   10 
+     10000        2000.00      27.723     -10.864      16.859   8.16 0.000 1.000 0.250 1.753     251.514     300.000       9.942   10 
+     20000        4000.00      27.850     -26.706       1.144   3.34 0.286 0.714 0.247 1.973     252.672     300.000       6.599   10 
+     30000        6000.00      26.549     -31.934      -5.385   4.34 0.214 0.750 0.242 1.121     240.863     300.000       7.074   10 
+     40000        8000.00      27.449     -30.830      -3.381   2.75 0.357 0.545 0.335 1.344     249.031     300.000       6.883   10 
+     50000       10000.00      29.184     -24.039       5.145   8.08 0.143 0.667 0.152 2.039     264.771     300.000      12.002   10 
+     60000       12000.00      29.476     -27.071       2.405   5.27 0.143 0.500 0.364 2.400     267.423     300.000       7.359   10 
+     70000       14000.00      27.993     -22.427       5.566   5.24 0.143 0.714 0.195 2.350     253.970     300.000       6.833   10 
+     80000       16000.00      31.916     -31.638       0.278   5.03 0.214 0.700 0.359 2.004     289.562     300.000       7.123   10 
+     90000       18000.00      23.765     -37.188     -13.423   5.33 0.357 0.583 0.352 1.739     215.605     300.000       6.996   10 
+    100000       20000.00      22.186     -36.170     -13.984   5.44 0.286 0.667 0.242 1.220     201.286     300.000       7.143   10 
+    110000       22000.00      23.620     -30.989      -7.370   6.05 0.214 0.700 0.300 2.421     214.290     300.000       6.872   10 
+    120000       24000.00      26.645     -30.310      -3.665   4.70 0.286 0.429 0.208 1.313     241.736     300.000       7.375   10 
+    130000       26000.00      22.531     -25.595      -3.064   7.25 0.143 0.778 0.258 0.879     204.415     300.000       7.775   10 
+    140000       28000.00      32.653      -7.941      24.712   7.48 0.071 0.875 0.210 0.677     296.249     300.000       8.293   10 
+    150000       30000.00      28.073     -37.360      -9.287   3.31 0.357 0.583 0.386 1.488     254.696     300.000       6.657   10 
+    160000       32000.00      30.411     -18.363      12.049   6.31 0.143 0.714 0.292 1.392     275.907     300.000       8.062   10 
+    170000       34000.00      31.002     -17.805      13.197   7.70 0.071 0.500 0.159 1.255     281.266     300.000      10.712   10 
+    180000       36000.00      27.429     -26.721       0.708   4.52 0.143 0.714 0.325 1.177     248.852     300.000       7.400   10 
+    190000       38000.00      24.280     -15.599       8.681   6.41 0.286 0.333 0.136 0.965     220.280     300.000      10.363   10 
+    200000       40000.00      27.118     -25.520       1.598   5.41 0.143 0.667 0.174 2.936     246.029     300.000       8.044   10 
+    210000       42000.00      32.060     -22.301       9.758   5.94 0.214 0.667 0.298 1.536     290.860     300.000       6.934   10 
+    220000       44000.00      32.363     -22.758       9.604   6.35 0.143 0.714 0.253 1.393     293.610     300.000       7.112   10 
+    230000       46000.00      28.969     -29.307      -0.338   6.05 0.286 0.636 0.211 3.386     262.823     300.000       7.788   10 
+    240000       48000.00      26.381     -33.182      -6.801   6.63 0.214 0.700 0.186 0.439     239.345     300.000       8.945   10 
+    250000       50000.00      29.821     -26.850       2.971   3.90 0.214 0.667 0.293 1.672     270.549     300.000       7.769   10 
+    260000       52000.00      28.764     -34.791      -6.028   4.31 0.357 0.444 0.374 1.301     260.958     300.000       8.304   10 
+    270000       54000.00      27.390     -34.831      -7.440   4.93 0.143 0.818 0.289 1.032     248.497     300.000       7.397   10 
+    280000       56000.00      27.796     -35.346      -7.550   5.67 0.143 0.778 0.343 1.590     252.181     300.000       7.358   10 
+    290000       58000.00      28.536     -18.488      10.049   4.77 0.286 0.556 0.308 1.177     258.893     300.000       7.264   10 
+    300000       60000.00      27.303     -20.216       7.086   5.64 0.143 0.667 0.318 1.829     247.703     300.000       7.115   10 
+    310000       62000.00      27.030     -30.284      -3.255   4.95 0.214 0.769 0.329 0.933     245.227     330.000       7.353   10 
+    320000       64000.00      34.539      -4.846      29.693   6.09 0.071 0.889 0.364 1.832     313.354     330.000       7.965   10 
+    330000       66000.00      45.197      -6.189      39.008   5.48 0.071 0.667 0.394 1.568     410.051     330.000       9.998   10 
+    340000       68000.00      30.995     -15.166      15.830   7.55 0.143 0.667 0.348 1.714     281.207     330.000       7.690   10 
+    350000       70000.00      36.288      -7.841      28.447   6.84 0.214 0.625 0.199 2.782     329.227     330.000       8.432   10 
+    360000       72000.00      29.693     -13.276      16.417   5.18 0.071 0.750 0.443 1.759     269.393     330.000       8.709   10 
+    370000       74000.00      35.419      -2.996      32.423   5.74 0.071 0.833 0.341 2.493     321.336     330.000       7.685   10 
+    380000       76000.00      35.264     -14.898      20.366   6.01 0.143 0.500 0.545 1.823     319.936     330.000       7.652   10 
+    390000       78000.00      42.271     -14.133      28.138   4.94 0.143 0.833 0.379 2.215     383.503     330.000       7.289   10 
+    400000       80000.00      33.662      -4.462      29.200   4.37 0.071 0.500 0.727 1.953     305.398     330.000       8.960   10 
+    410000       82000.00      34.199      -9.051      25.148   5.54 0.071 0.667 0.212 1.521     310.270     320.000       9.390   10 
+    420000       84000.00      36.435     -20.195      16.240   5.94 0.143 0.714 0.266 1.236     330.556     320.000       6.938   10 
+    430000       86000.00      30.823     -13.514      17.309   7.38 0.000 1.000 0.325 2.345     279.645     320.000       7.449   10 
+    440000       88000.00      39.499     -21.627      17.872   3.98 0.071 0.889 0.354 1.458     358.355     320.000       7.411   10 
+    450000       90000.00      33.100     -12.810      20.290   4.89 0.214 0.571 0.494 0.686     300.303     320.000       7.573   10 
+    460000       92000.00      29.246     -15.978      13.268   6.60 0.214 0.667 0.258 1.079     265.337     320.000       7.411   10 
+    470000       94000.00      26.971     -11.252      15.719   4.62 0.143 0.778 0.328 1.876     244.697     320.000       7.385   10 
+    480000       96000.00      39.747      -1.362      38.385   4.98 0.000 1.000 0.273 2.660     360.601     320.000       8.668   10 
+    490000       98000.00      31.351     -17.644      13.707   5.45 0.143 0.750 0.398 2.245     284.430     320.000       7.092   10 
+    500000      100000.00      34.657     -21.635      13.022   6.30 0.214 0.500 0.205 1.821     314.424     320.000       7.740   10 
+    510000      102000.00      37.574     -17.614      19.961   5.24 0.000 1.000 0.606 0.971     340.894     320.000       8.202   10 
+    520000      104000.00      36.296      -8.139      28.157   5.05 0.214 0.571 0.182 2.124     329.295     320.000       8.327   10 
+    530000      106000.00      33.909     -13.125      20.784   5.25 0.071 0.500 0.432 1.810     307.640     320.000       7.891   10 
+    540000      108000.00      33.691     -12.508      21.183   7.91 0.143 0.333 0.167 1.620     305.660     320.000      10.749   10 
+    550000      110000.00      36.191     -23.278      12.914   6.19 0.071 0.833 0.227 2.055     328.347     320.000       7.537   10 
+    560000      112000.00      24.585     -18.782       5.803   4.70 0.286 0.333 0.197 2.173     223.050     320.000       8.215   10 
+    570000      114000.00      27.218     -21.736       5.482   7.21 0.000 1.000 0.258 2.596     246.933     320.000       7.442   10 
+    580000      116000.00      22.004     -12.031       9.973   6.41 0.071 0.667 0.258 1.032     199.634     320.000       9.021   10 
+    590000      118000.00      32.486     -27.944       4.542   5.28 0.214 0.727 0.347 1.303     294.729     320.000       6.983   10 
+    600000      120000.00      30.073     -10.059      20.014   5.18 0.143 0.600 0.191 1.378     272.842     320.000       8.339   10 
+    610000      122000.00      41.265     -15.571      25.694   8.55 0.071 0.500 0.205 1.700     374.379     320.000      10.475   10 
+    620000      124000.00      36.547     -25.357      11.189   6.19 0.071 0.833 0.326 1.124     331.571     320.000       7.130   10 
+    630000      126000.00      33.782     -22.246      11.537   7.29 0.286 0.500 0.188 0.910     306.489     320.000      10.069   10 
+    640000      128000.00      37.107     -13.320      23.787   5.46 0.000 1.000 0.227 2.648     336.658     320.000       9.367   10 
+    650000      130000.00      32.736     -19.602      13.134   6.88 0.143 0.500 0.159 1.548     297.000     320.000      10.085   10 
+    660000      132000.00      34.385      -6.647      27.738   3.82 0.071 0.750 0.557 1.779     311.959     320.000       7.359   10 
+    670000      134000.00      29.792     -32.853      -3.061   6.00 0.143 0.800 0.245 1.279     270.293     320.000       6.922   10 
+    680000      136000.00      31.148     -13.110      18.038   5.64 0.000 1.000 0.364 2.173     282.590     320.000       9.337   10 
+    690000      138000.00      30.686     -20.504      10.181   5.56 0.143 0.667 0.545 1.550     278.395     320.000       7.922   10 
+    700000      140000.00      32.476     -10.501      21.975   4.95 0.214 0.500 0.326 2.317     294.642     320.000       7.834   10 
+    710000      142000.00      32.620     -14.792      17.828   5.14 0.071 0.833 0.182 1.680     295.943     310.000       8.667   10 
+    720000      144000.00      28.027     -30.960      -2.932   4.37 0.286 0.636 0.264 1.023     254.279     310.000       7.521   10 
+    730000      146000.00      38.572     -11.594      26.977   7.23 0.071 0.000 0.136 1.929     349.942     310.000      10.669   10 
+    740000      148000.00      44.122     -24.646      19.476   4.18 0.143 0.778 0.288 2.551     400.299     310.000       7.657   10 
+    750000      150000.00      32.761     -28.650       4.112   4.75 0.143 0.800 0.259 1.017     297.228     310.000       7.444   10 
+    760000      152000.00      32.274     -28.121       4.152   3.75 0.286 0.636 0.302 2.547     292.802     310.000       7.245   10 
+    770000      154000.00      35.871     -27.058       8.813   4.26 0.214 0.500 0.182 1.031     325.444     310.000       8.046   10 
+    780000      156000.00      30.036     -26.952       3.085   4.89 0.214 0.727 0.397 1.719     272.504     310.000       7.171   10 
+    790000      158000.00      26.778     -20.182       6.596   6.05 0.071 0.833 0.280 2.256     242.948     310.000       9.104   10 
+    800000      160000.00      27.611     -20.953       6.658   4.51 0.286 0.556 0.354 2.004     250.500     310.000       7.204   10 
+    810000      162000.00      32.448     -15.525      16.923   6.35 0.071 0.750 0.511 1.785     294.389     330.000       7.871   10 
+    820000      164000.00      36.974     -17.040      19.935   3.95 0.214 0.667 0.328 1.624     335.450     330.000       6.897   10 
+    830000      166000.00      34.560      -8.261      26.299   8.80 0.000   NaN   NaN 1.665     313.544     330.000      12.580   10 
+    840000      168000.00      39.098     -18.710      20.388   5.91 0.214 0.500 0.417 1.479     354.719     330.000       7.655   10 
+    850000      170000.00      25.924     -28.576      -2.651   4.34 0.286 0.600 0.377 2.407     235.199     330.000       6.679   10 
+    860000      172000.00      34.651     -21.090      13.562   4.69 0.143 0.714 0.435 2.779     314.375     330.000       7.320   10 
+    870000      174000.00      32.947     -19.354      13.594   5.78 0.143 0.667 0.220 3.017     298.913     330.000       8.572   10 
+    880000      176000.00      39.849     -10.295      29.554  11.49 0.000   NaN   NaN 1.361     361.529     330.000      14.112   10 
+    890000      178000.00      27.654     -10.743      16.911   4.65 0.071 0.800 0.318 1.239     250.891     330.000       7.984   10 
+    900000      180000.00      29.257      -7.700      21.557   6.93 0.071 0.800 0.273 0.984     265.436     330.000       9.154   10 
+    910000      182000.00      22.972      -9.436      13.536   5.37 0.143 0.778 0.389 1.973     208.418     320.000       6.959   10 
+    920000      184000.00      32.208     -12.956      19.252   4.67 0.143 0.750 0.284 1.714     292.207     320.000       7.644   10 
+    930000      186000.00      30.160      -9.694      20.466   5.54 0.000 1.000 0.470 1.440     273.626     320.000       8.956   10 
+    940000      188000.00      31.508     -13.348      18.161   9.80 0.214 0.250 0.182 0.937     285.861     320.000      11.651   10 
+    950000      190000.00      25.978     -23.340       2.638   5.34 0.143 0.667 0.205 1.200     235.684     320.000       8.891   10 
+    960000      192000.00      31.513      -8.698      22.815   5.18 0.214 0.571 0.312 1.920     285.903     320.000       7.373   10 
+    970000      194000.00      30.747     -14.597      16.150   7.37 0.071 0.667 0.167 1.856     278.952     320.000      11.121   10 
+    980000      196000.00      31.542     -15.217      16.326   5.40 0.000 1.000 0.227 0.975     286.169     320.000       9.972   10 
+    990000      198000.00      26.624     -22.275       4.350   4.80 0.429 0.500 0.186 1.151     241.548     320.000       7.253   10 
+   1000000      200000.00      29.514     -35.654      -6.140   5.77 0.286 0.636 0.215 1.740     267.766     320.000       7.356   10 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB011.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB011.stat
index f846eba..1b23e91 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB011.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB011.stat
@@ -1,101 +1,101 @@
-         0           0.00      25.983      21.354      47.337  12.87 0.000   NaN   NaN 0.937     235.730     270.000      15.552   11 
-     10000        2000.00      21.701     -46.625     -24.923   4.97 0.214 0.833 0.417 0.895     196.885     270.000       6.549   11 
-     20000        4000.00      26.207     -30.449      -4.242   4.40 0.143 0.778 0.258 1.302     237.760     270.000       7.496   11 
-     30000        6000.00      25.108     -39.029     -13.920   3.63 0.214 0.625 0.386 1.713     227.793     270.000       6.852   11 
-     40000        8000.00      27.677     -45.896     -18.219   4.79 0.143 0.818 0.322 0.845     251.100     270.000       6.814   11 
-     50000       10000.00      25.192     -54.087     -28.895   3.00 0.143 0.833 0.348 2.313     228.556     270.000       7.163   11 
-     60000       12000.00      23.414     -53.320     -29.906   2.55 0.500 0.562 0.384 2.306     212.427     270.000       6.826   11 
-     70000       14000.00      24.961     -48.398     -23.437   2.85 0.286 0.692 0.220 1.952     226.462     270.000       6.729   11 
-     80000       16000.00      31.379     -52.055     -20.676   2.95 0.429 0.625 0.355 2.927     284.686     270.000       6.499   11 
-     90000       18000.00      23.543     -45.467     -21.924   3.38 0.429 0.571 0.312 1.351     213.595     270.000       6.320   11 
-    100000       20000.00      29.176     -48.359     -19.183   2.50 0.286 0.733 0.245 2.036     264.701     270.000       6.775   11 
-    110000       22000.00      23.114     -57.843     -34.729   1.75 0.500 0.562 0.347 2.144     209.701     270.000       6.489   11 
-    120000       24000.00      27.036     -59.255     -32.219   2.53 0.357 0.545 0.343 0.957     245.283     270.000       6.567   11 
-    130000       26000.00      23.758     -54.553     -30.796   3.61 0.286 0.750 0.432 1.185     215.543     270.000       6.311   11 
-    140000       28000.00      32.654     -45.595     -12.941   2.57 0.357 0.615 0.220 1.027     296.252     270.000       7.069   11 
-    150000       30000.00      25.199     -49.332     -24.133   2.29 0.429 0.571 0.276 2.728     228.615     270.000       6.722   11 
-    160000       32000.00      32.781     -61.801     -29.020   5.83 0.214 0.800 0.236 1.185     297.406     270.000       6.832   11 
-    170000       34000.00      29.622     -58.237     -28.615   5.88 0.143 0.867 0.248 1.522     268.750     270.000       6.986   11 
-    180000       36000.00      23.915     -60.650     -36.735   7.24 0.286 0.750 0.236 0.956     216.965     270.000       6.820   11 
-    190000       38000.00      22.745     -46.678     -23.933   5.69 0.357 0.500 0.241 1.315     206.351     270.000       7.338   11 
-    200000       40000.00      25.111     -41.544     -16.433   5.32 0.500 0.462 0.280 1.966     227.817     270.000       6.710   11 
-    210000       42000.00      31.032     -61.788     -30.756   4.83 0.429 0.455 0.198 1.084     281.538     260.000       7.107   11 
-    220000       44000.00      28.365     -61.307     -32.942   6.93 0.286 0.750 0.244 1.897     257.337     260.000       6.708   11 
-    230000       46000.00      28.782     -56.858     -28.077   4.78 0.357 0.583 0.205 1.296     261.121     260.000       6.997   11 
-    240000       48000.00      21.696     -55.277     -33.582   6.02 0.429 0.625 0.355 1.214     196.834     260.000       6.416   11 
-    250000       50000.00      18.510     -48.997     -30.487   6.79 0.286 0.636 0.310 1.306     167.934     260.000       6.614   11 
-    260000       52000.00      31.212     -57.688     -26.475   4.68 0.214 0.800 0.342 1.814     283.176     260.000       6.724   11 
-    270000       54000.00      25.075     -58.367     -33.292   4.74 0.357 0.643 0.299 2.569     227.491     260.000       6.531   11 
-    280000       56000.00      24.710     -56.037     -31.327   4.03 0.143 0.818 0.302 1.136     224.185     260.000       7.661   11 
-    290000       58000.00      30.788     -57.000     -26.212   5.44 0.286 0.667 0.383 0.853     279.327     260.000       6.775   11 
-    300000       60000.00      22.259     -54.156     -31.896   4.79 0.357 0.643 0.250 1.262     201.948     260.000       6.712   11 
-    310000       62000.00      29.294     -48.223     -18.929   5.47 0.214 0.700 0.223 1.785     265.773     270.000       7.062   11 
-    320000       64000.00      22.397     -56.150     -33.753   4.85 0.429 0.600 0.255 0.907     203.193     270.000       6.906   11 
-    330000       66000.00      24.821     -52.586     -27.765   5.78 0.286 0.733 0.315 1.123     225.189     270.000       6.623   11 
-    340000       68000.00      33.758     -49.660     -15.902   6.51 0.286 0.789 0.361 1.201     306.274     270.000       6.371   11 
-    350000       70000.00      24.035     -53.074     -29.040   5.20 0.214 0.786 0.334 1.925     218.054     270.000       7.271   11 
-    360000       72000.00      31.916     -54.429     -22.513   6.03 0.357 0.722 0.328 2.028     289.558     270.000       6.451   11 
-    370000       74000.00      24.752     -48.353     -23.601   3.37 0.286 0.692 0.262 1.397     224.560     270.000       6.886   11 
-    380000       76000.00      32.462     -54.561     -22.099   4.27 0.429 0.571 0.321 1.923     294.514     270.000       6.492   11 
-    390000       78000.00      28.889     -43.387     -14.498   3.83 0.071 0.857 0.227 1.737     262.095     270.000       7.498   11 
-    400000       80000.00      31.690     -45.091     -13.401   4.27 0.286 0.667 0.330 1.061     287.507     270.000       7.389   11 
-    410000       82000.00      25.869     -50.504     -24.635   3.56 0.286 0.667 0.212 0.724     234.700     270.000       6.848   11 
-    420000       84000.00      24.183     -44.165     -19.981   6.36 0.214 0.800 0.285 2.875     219.405     270.000       6.933   11 
-    430000       86000.00      28.295     -54.717     -26.422   2.07 0.286 0.556 0.253 1.574     256.703     270.000       6.796   11 
-    440000       88000.00      24.951     -56.487     -31.536   1.71 0.500 0.588 0.273 1.597     226.365     270.000       6.609   11 
-    450000       90000.00      27.682     -49.272     -21.590   4.40 0.286 0.667 0.189 1.507     251.142     270.000       7.824   11 
-    460000       92000.00      21.953     -51.307     -29.353   3.29 0.286 0.636 0.182 1.420     199.171     270.000       7.364   11 
-    470000       94000.00      19.124     -46.472     -27.347   2.66 0.214 0.700 0.232 1.442     173.507     270.000       7.024   11 
-    480000       96000.00      21.837     -63.204     -41.367   2.38 0.500 0.588 0.297 1.801     198.117     270.000       6.542   11 
-    490000       98000.00      33.197     -55.973     -22.776   2.35 0.643 0.526 0.306 1.197     301.180     270.000       6.359   11 
-    500000      100000.00      28.905     -54.767     -25.862   2.44 0.643 0.500 0.316 2.299     262.245     270.000       6.336   11 
-    510000      102000.00      23.412     -55.533     -32.121   2.53 0.571 0.500 0.312 1.942     212.402     260.000       6.686   11 
-    520000      104000.00      24.037     -53.906     -29.869   2.12 0.500 0.462 0.238 1.496     218.073     260.000       6.878   11 
-    530000      106000.00      27.510     -65.947     -38.438   2.30 0.357 0.667 0.361 0.875     249.581     260.000       6.340   11 
-    540000      108000.00      23.513     -46.134     -22.622   2.87 0.571 0.500 0.338 1.021     213.318     260.000       6.285   11 
-    550000      110000.00      22.892     -66.743     -43.852   2.16 0.643 0.526 0.313 1.569     207.687     260.000       6.323   11 
-    560000      112000.00      26.573     -59.965     -33.392   2.07 0.429 0.538 0.409 1.337     241.087     260.000       6.433   11 
-    570000      114000.00      26.921     -55.373     -28.453   2.49 0.429 0.538 0.318 1.557     244.237     260.000       6.178   11 
-    580000      116000.00      31.082     -58.625     -27.543   5.21 0.286 0.750 0.210 1.681     281.990     260.000       7.269   11 
-    590000      118000.00      25.580     -63.246     -37.666   2.08 0.571 0.579 0.309 1.990     232.076     260.000       6.846   11 
-    600000      120000.00      30.566     -56.545     -25.979   1.75 0.286 0.636 0.326 0.936     277.310     260.000       6.618   11 
-    610000      122000.00      23.291     -60.537     -37.246   2.71 0.286 0.714 0.377 1.643     211.311     260.000       6.662   11 
-    620000      124000.00      22.637     -56.854     -34.217   2.34 0.571 0.467 0.276 1.543     205.378     260.000       6.505   11 
-    630000      126000.00      25.628     -50.604     -24.976   2.26 0.357 0.545 0.281 2.640     232.513     260.000       6.785   11 
-    640000      128000.00      23.173     -53.424     -30.251   2.73 0.357 0.615 0.255 1.706     210.235     260.000       6.849   11 
-    650000      130000.00      26.391     -50.878     -24.487   2.71 0.286 0.556 0.192 2.991     239.432     260.000       7.271   11 
-    660000      132000.00      30.525     -59.135     -28.610   2.68 0.643 0.550 0.327 1.281     276.943     260.000       6.191   11 
-    670000      134000.00      24.874     -56.371     -31.497   1.96 0.357 0.643 0.279 0.978     225.667     260.000       6.341   11 
-    680000      136000.00      25.723     -59.382     -33.659   2.22 0.429 0.600 0.233 1.505     233.369     260.000       6.522   11 
-    690000      138000.00      29.299     -67.220     -37.921   1.79 0.429 0.684 0.325 1.097     265.819     260.000       6.450   11 
-    700000      140000.00      27.634     -60.944     -33.310   2.40 0.429 0.714 0.307 1.787     250.710     260.000       6.281   11 
-    710000      142000.00      21.926     -44.429     -22.503   2.92 0.571 0.500 0.312 1.846     198.926     260.000       6.423   11 
-    720000      144000.00      23.238     -59.652     -36.414   3.25 0.214 0.800 0.321 1.508     210.824     260.000       6.794   11 
-    730000      146000.00      27.099     -61.910     -34.811   3.63 0.429 0.667 0.311 2.989     245.856     260.000       6.737   11 
-    740000      148000.00      28.827     -60.471     -31.644   3.21 0.286 0.733 0.294 1.221     261.534     260.000       6.832   11 
-    750000      150000.00      30.404     -65.016     -34.612   3.22 0.357 0.667 0.252 1.725     275.839     260.000       7.030   11 
-    760000      152000.00      21.056     -62.497     -41.441   3.09 0.429 0.571 0.256 1.312     191.030     260.000       7.019   11 
-    770000      154000.00      21.913     -59.812     -37.899   3.02 0.357 0.643 0.286 1.589     198.808     260.000       6.823   11 
-    780000      156000.00      23.917     -56.236     -32.319   3.18 0.357 0.583 0.246 1.779     216.989     260.000       7.264   11 
-    790000      158000.00      19.310     -51.803     -32.493   3.76 0.214 0.769 0.280 1.844     175.187     260.000       7.607   11 
-    800000      160000.00      23.642     -57.044     -33.401   2.81 0.214 0.750 0.250 1.676     214.497     260.000       6.906   11 
-    810000      162000.00      23.160     -65.304     -42.144   3.58 0.143 0.875 0.293 1.860     210.121     250.000       6.881   11 
-    820000      164000.00      25.244     -65.572     -40.328   3.44 0.429 0.538 0.266 0.950     229.028     250.000       7.015   11 
-    830000      166000.00      24.291     -67.802     -43.510   3.32 0.214 0.769 0.206 2.099     220.384     250.000       6.903   11 
-    840000      168000.00      22.990     -70.131     -47.140   2.93 0.429 0.647 0.297 1.324     208.578     250.000       6.736   11 
-    850000      170000.00      25.805     -57.877     -32.072   2.50 0.500 0.667 0.307 0.889     234.114     250.000       6.895   11 
-    860000      172000.00      21.056     -69.077     -48.021   2.83 0.357 0.688 0.270 0.999     191.031     250.000       6.766   11 
-    870000      174000.00      25.230     -71.222     -45.992   2.63 0.429 0.625 0.239 1.458     228.904     250.000       6.474   11 
-    880000      176000.00      24.406     -64.339     -39.933   2.96 0.286 0.733 0.206 1.544     221.424     250.000       7.156   11 
-    890000      178000.00      24.154     -65.189     -41.036   2.85 0.357 0.722 0.328 1.822     219.133     250.000       6.499   11 
-    900000      180000.00      28.769     -66.257     -37.488   2.69 0.286 0.714 0.299 1.905     261.007     250.000       6.586   11 
-    910000      182000.00      29.294     -66.923     -37.630   2.80 0.286 0.765 0.262 2.191     265.767     250.000       6.449   11 
-    920000      184000.00      31.236     -71.056     -39.820   2.43 0.357 0.688 0.304 1.233     283.387     250.000       6.458   11 
-    930000      186000.00      30.945     -67.873     -36.928   2.42 0.286 0.778 0.301 1.586     280.750     250.000       6.609   11 
-    940000      188000.00      22.463     -62.005     -39.542   3.33 0.357 0.500 0.232 0.895     203.793     250.000       7.226   11 
-    950000      190000.00      29.679     -60.580     -30.901   3.01 0.286 0.692 0.259 1.697     269.264     250.000       6.959   11 
-    960000      192000.00      21.317     -63.694     -42.377   2.60 0.357 0.643 0.373 1.372     193.395     250.000       6.705   11 
-    970000      194000.00      26.203     -63.464     -37.260   2.81 0.429 0.538 0.245 0.843     237.730     250.000       6.821   11 
-    980000      196000.00      20.839     -68.486     -47.647   2.73 0.571 0.556 0.303 1.709     189.061     250.000       6.604   11 
-    990000      198000.00      19.916     -69.553     -49.636   2.97 0.643 0.471 0.219 1.758     180.692     250.000       6.949   11 
-   1000000      200000.00      23.211     -56.029     -32.818   2.99 0.214 0.769 0.336 1.709     210.584     250.000       6.815   11 
+         0           0.00      36.640      24.828      61.468  12.87 0.000   NaN   NaN 0.708     332.421     300.000      15.552   11 
+     10000        2000.00      33.285     -22.865      10.420   6.94 0.143 0.846 0.360 0.895     301.976     300.000       7.163   11 
+     20000        4000.00      29.826     -15.745      14.081   6.02 0.071 0.800 0.200 2.203     270.598     300.000       9.372   11 
+     30000        6000.00      28.806     -26.666       2.140   4.27 0.143 0.778 0.273 2.279     261.347     300.000       7.087   11 
+     40000        8000.00      37.743     -32.079       5.664   5.23 0.214 0.727 0.376 2.415     342.419     300.000       7.931   11 
+     50000       10000.00      23.441     -25.781      -2.340   5.69 0.214 0.727 0.326 2.106     212.673     300.000       7.074   11 
+     60000       12000.00      31.932     -42.029     -10.097   4.46 0.429 0.647 0.340 2.888     289.701     300.000       6.932   11 
+     70000       14000.00      33.572     -46.794     -13.222   5.02 0.286 0.636 0.351 1.998     304.586     300.000       7.153   11 
+     80000       16000.00      29.476     -35.659      -6.182   4.00 0.214 0.667 0.338 1.992     267.426     300.000       7.322   11 
+     90000       18000.00      29.060     -32.139      -3.080   3.01 0.357 0.583 0.348 1.861     263.645     300.000       6.919   11 
+    100000       20000.00      33.337     -37.302      -3.965   3.46 0.286 0.600 0.286 2.097     302.450     300.000       6.830   11 
+    110000       22000.00      29.229     -48.490     -19.261   3.17 0.429 0.455 0.269 1.485     265.185     280.000       6.714   11 
+    120000       24000.00      27.058     -43.453     -16.395   3.65 0.286 0.733 0.358 1.383     245.488     280.000       6.255   11 
+    130000       26000.00      24.182     -33.392      -9.210   3.54 0.214 0.700 0.332 2.494     219.388     280.000       6.907   11 
+    140000       28000.00      25.779     -39.444     -13.665   3.68 0.357 0.583 0.367 1.479     233.881     280.000       6.171   11 
+    150000       30000.00      20.314     -34.176     -13.862   3.60 0.286 0.667 0.261 1.907     184.303     280.000       7.056   11 
+    160000       32000.00      26.027     -41.622     -15.595   2.87 0.286 0.600 0.336 1.413     236.131     280.000       7.031   11 
+    170000       34000.00      26.523     -50.873     -24.350   3.22 0.214 0.786 0.263 1.333     240.630     280.000       6.764   11 
+    180000       36000.00      26.678     -38.238     -11.560   3.37 0.357 0.583 0.364 1.904     242.039     280.000       6.596   11 
+    190000       38000.00      28.119     -46.780     -18.661   3.51 0.429 0.500 0.246 3.262     255.108     280.000       7.022   11 
+    200000       40000.00      21.641     -34.492     -12.851   4.10 0.143 0.667 0.220 1.200     196.335     280.000       7.357   11 
+    210000       42000.00      30.781     -23.726       7.055   5.62 0.071 0.857 0.208 1.351     279.261     310.000       7.885   11 
+    220000       44000.00      28.184     -28.989      -0.805   6.87 0.286 0.500 0.182 1.323     255.698     310.000       8.763   11 
+    230000       46000.00      35.382     -14.286      21.096   5.76 0.143 0.714 0.338 1.109     321.001     310.000       7.094   11 
+    240000       48000.00      38.821     -15.566      23.255   5.16 0.214 0.250 0.148 1.872     352.204     310.000       8.710   11 
+    250000       50000.00      33.235     -14.867      18.368   6.01 0.143 0.778 0.343 2.248     301.521     310.000       6.889   11 
+    260000       52000.00      31.144     -29.044       2.100   5.07 0.143 0.778 0.409 1.536     282.551     310.000       7.093   11 
+    270000       54000.00      34.463     -28.620       5.843   6.78 0.071 0.909 0.277 2.053     312.665     310.000       7.349   11 
+    280000       56000.00      30.990     -21.813       9.177   3.74 0.071 0.857 0.175 1.076     281.159     310.000       7.335   11 
+    290000       58000.00      27.741     -15.465      12.276   5.65 0.000 1.000 0.197 2.250     251.680     310.000       8.102   11 
+    300000       60000.00      22.627     -22.470       0.157   4.44 0.214 0.625 0.347 1.820     205.285     310.000       7.845   11 
+    310000       62000.00      39.753     -32.753       6.999   4.97 0.214 0.700 0.364 1.847     360.656     300.000       7.562   11 
+    320000       64000.00      34.712     -20.084      14.628   3.32 0.214 0.500 0.288 1.492     314.922     300.000       6.782   11 
+    330000       66000.00      29.437     -42.641     -13.204   5.95 0.357 0.444 0.177 1.803     267.064     300.000       8.372   11 
+    340000       68000.00      38.967     -26.746      12.221   3.88 0.143 0.778 0.202 2.337     353.529     300.000       7.530   11 
+    350000       70000.00      24.465     -17.198       7.267   4.18 0.214 0.667 0.379 1.098     221.959     300.000       8.121   11 
+    360000       72000.00      33.558     -29.081       4.477   3.67 0.143 0.833 0.314 1.569     304.455     300.000       7.054   11 
+    370000       74000.00      34.769     -35.713      -0.944   7.20 0.143 0.750 0.227 1.006     315.442     300.000       7.752   11 
+    380000       76000.00      31.979     -28.048       3.931   4.37 0.143 0.818 0.310 1.120     290.129     300.000       6.628   11 
+    390000       78000.00      20.288     -28.857      -8.569   2.94 0.286 0.714 0.214 2.823     184.060     300.000       7.343   11 
+    400000       80000.00      33.854     -39.347      -5.493   3.84 0.571 0.556 0.351 1.981     307.138     300.000       6.571   11 
+    410000       82000.00      30.268     -37.195      -6.928   4.62 0.143 0.800 0.355 1.541     274.603     290.000       6.956   11 
+    420000       84000.00      25.064     -37.244     -12.180   3.84 0.214 0.667 0.409 1.499     227.391     290.000       7.298   11 
+    430000       86000.00      34.862     -26.843       8.019   3.63 0.214 0.625 0.205 1.074     316.285     290.000       7.380   11 
+    440000       88000.00      26.067     -24.492       1.574   4.54 0.357 0.375 0.244 1.584     236.492     290.000       8.439   11 
+    450000       90000.00      26.477     -18.845       7.632   7.10 0.214 0.500 0.159 1.450     240.216     290.000      10.295   11 
+    460000       92000.00      31.697     -29.000       2.697   3.79 0.286 0.556 0.263 1.972     287.574     290.000       7.632   11 
+    470000       94000.00      29.897     -30.705      -0.808   3.70 0.286 0.429 0.240 3.406     271.237     290.000       7.427   11 
+    480000       96000.00      27.950     -30.684      -2.734   3.98 0.143 0.667 0.242 0.869     253.574     290.000       7.298   11 
+    490000       98000.00      24.636     -32.539      -7.903   3.64 0.214 0.750 0.273 1.740     223.514     290.000       7.013   11 
+    500000      100000.00      33.232     -42.932      -9.700   1.36 0.429 0.538 0.259 1.445     301.499     290.000       7.109   11 
+    510000      102000.00      25.757     -40.060     -14.302   4.22 0.286 0.778 0.273 1.544     233.684     270.000       6.693   11 
+    520000      104000.00      25.181     -43.202     -18.021   4.39 0.286 0.800 0.455 1.361     228.453     270.000       6.262   11 
+    530000      106000.00      28.352     -39.132     -10.780   3.01 0.357 0.500 0.336 2.117     257.221     270.000       6.838   11 
+    540000      108000.00      25.664     -49.337     -23.674   3.57 0.357 0.706 0.385 1.515     232.834     270.000       6.181   11 
+    550000      110000.00      26.255     -56.444     -30.190   3.76 0.357 0.737 0.392 1.116     238.196     270.000       6.150   11 
+    560000      112000.00      29.707     -40.425     -10.718   3.72 0.357 0.737 0.378 2.165     269.514     270.000       6.193   11 
+    570000      114000.00      23.363     -42.962     -19.599   3.67 0.143 0.846 0.332 1.868     211.963     270.000       6.641   11 
+    580000      116000.00      20.570     -35.661     -15.091   3.77 0.429 0.647 0.265 1.197     186.624     270.000       6.453   11 
+    590000      118000.00      24.576     -37.339     -12.763   3.36 0.357 0.667 0.306 0.912     222.964     270.000       6.217   11 
+    600000      120000.00      25.168     -42.620     -17.451   3.91 0.357 0.667 0.294 2.223     228.341     270.000       6.900   11 
+    610000      122000.00      26.149     -47.613     -21.463   4.24 0.214 0.800 0.403 1.013     237.242     270.000       6.714   11 
+    620000      124000.00      25.444     -36.361     -10.917   5.03 0.357 0.667 0.273 1.527     230.838     270.000       6.872   11 
+    630000      126000.00      19.209     -48.661     -29.452   5.05 0.286 0.636 0.198 1.399     174.274     270.000       7.170   11 
+    640000      128000.00      29.856     -38.984      -9.128   5.02 0.357 0.615 0.217 2.533     270.869     270.000       7.331   11 
+    650000      130000.00      29.437     -53.459     -24.022   5.16 0.286 0.667 0.261 1.220     267.068     270.000       6.721   11 
+    660000      132000.00      23.288     -42.304     -19.016   4.67 0.429 0.600 0.364 1.519     211.278     270.000       6.871   11 
+    670000      134000.00      32.234     -47.284     -15.049   5.39 0.286 0.556 0.222 1.598     292.447     270.000       6.910   11 
+    680000      136000.00      31.912     -45.225     -13.313   4.70 0.357 0.545 0.360 1.733     289.523     270.000       7.009   11 
+    690000      138000.00      24.303     -33.953      -9.650   5.39 0.214 0.571 0.162 3.102     220.490     270.000       8.685   11 
+    700000      140000.00      30.691     -44.765     -14.074   5.62 0.286 0.765 0.337 1.802     278.447     270.000       6.521   11 
+    710000      142000.00      19.131     -48.919     -29.789   4.51 0.357 0.643 0.334 1.838     173.563     260.000       7.072   11 
+    720000      144000.00      28.746     -46.157     -17.411   5.97 0.357 0.706 0.275 3.601     260.802     260.000       6.578   11 
+    730000      146000.00      20.686     -44.115     -23.429   4.35 0.429 0.400 0.218 1.394     187.675     260.000       7.534   11 
+    740000      148000.00      31.049     -45.726     -14.677   4.68 0.214 0.786 0.315 1.950     281.689     260.000       6.766   11 
+    750000      150000.00      25.215     -47.917     -22.702   6.11 0.286 0.636 0.207 1.793     228.759     260.000       7.731   11 
+    760000      152000.00      19.410     -46.662     -27.252   5.71 0.143 0.800 0.214 1.865     176.097     260.000       7.382   11 
+    770000      154000.00      21.649     -46.120     -24.470   2.28 0.357 0.583 0.299 0.901     196.415     260.000       6.556   11 
+    780000      156000.00      19.227     -47.143     -27.917   2.05 0.643 0.400 0.279 1.986     174.435     260.000       6.653   11 
+    790000      158000.00      22.001     -44.300     -22.299   5.78 0.357 0.688 0.230 1.910     199.604     260.000       7.005   11 
+    800000      160000.00      21.084     -40.403     -19.319   3.63 0.286 0.600 0.264 1.937     191.287     260.000       7.086   11 
+    810000      162000.00      28.826     -38.990     -10.164   4.27 0.357 0.643 0.390 2.686     261.526     290.000       6.893   11 
+    820000      164000.00      29.398     -34.990      -5.592   5.93 0.214 0.812 0.344 2.129     266.714     290.000       6.341   11 
+    830000      166000.00      26.985     -39.788     -12.803   4.73 0.143 0.833 0.348 1.522     244.821     290.000       6.732   11 
+    840000      168000.00      34.112     -28.605       5.507   5.12 0.286 0.733 0.288 1.078     309.484     290.000       6.962   11 
+    850000      170000.00      22.941     -37.939     -14.998   4.83 0.214 0.750 0.383 2.036     208.129     290.000       6.703   11 
+    860000      172000.00      29.862     -30.352      -0.490   3.83 0.000 1.000 0.136 1.374     270.927     290.000       7.595   11 
+    870000      174000.00      29.790     -36.393      -6.603   4.20 0.286 0.600 0.286 1.809     270.268     290.000       7.587   11 
+    880000      176000.00      31.365     -37.691      -6.327   5.97 0.214 0.571 0.266 1.625     284.559     290.000       7.284   11 
+    890000      178000.00      26.763     -32.160      -5.397   7.12 0.214 0.571 0.175 2.220     242.807     290.000       8.369   11 
+    900000      180000.00      27.445     -40.783     -13.338   4.71 0.286 0.636 0.298 2.019     248.995     290.000       7.267   11 
+    910000      182000.00      31.171     -20.481      10.690   5.79 0.143 0.714 0.260 0.921     282.798     290.000       6.842   11 
+    920000      184000.00      30.907     -29.212       1.696   4.04 0.143 0.750 0.176 1.212     280.407     290.000       7.401   11 
+    930000      186000.00      27.641     -37.739     -10.098   5.28 0.143 0.778 0.364 1.235     250.775     290.000       6.970   11 
+    940000      188000.00      29.666     -20.758       8.909   4.48 0.071 0.750 0.170 2.572     269.148     290.000       8.615   11 
+    950000      190000.00      32.820     -27.037       5.783   7.04 0.143 0.600 0.191 1.412     297.759     290.000       9.841   11 
+    960000      192000.00      21.031     -35.118     -14.087   3.22 0.357 0.667 0.230 2.056     190.803     290.000       6.879   11 
+    970000      194000.00      31.835     -20.915      10.920   5.91 0.214 0.625 0.244 2.162     288.827     290.000       7.443   11 
+    980000      196000.00      23.990     -26.146      -2.156   5.38 0.214 0.700 0.264 1.007     217.646     290.000       6.701   11 
+    990000      198000.00      26.236     -25.572       0.664   7.95 0.429 0.333 0.172 3.091     238.030     290.000       9.035   11 
+   1000000      200000.00      25.603     -27.542      -1.939   4.75 0.071 0.857 0.182 0.992     232.282     290.000       7.676   11 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB012.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB012.stat
index 42cbe87..bbbb499 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB012.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB012.stat
@@ -1,101 +1,101 @@
-         0           0.00      20.790      21.317      42.106  12.87 0.000   NaN   NaN 0.936     188.614     280.000      15.552   12 
-     10000        2000.00      32.663     -33.464      -0.801   6.27 0.143 0.800 0.332 2.991     296.331     280.000       6.889   12 
-     20000        4000.00      33.660     -27.622       6.038   5.43 0.214 0.769 0.315 1.790     305.385     280.000       7.759   12 
-     30000        6000.00      24.245     -42.272     -18.027   4.61 0.143 0.818 0.360 1.127     219.960     280.000       7.148   12 
-     40000        8000.00      31.747     -50.331     -18.584   6.45 0.143 0.833 0.390 1.891     288.028     280.000       6.679   12 
-     50000       10000.00      24.257     -47.504     -23.247   5.22 0.286 0.765 0.291 1.458     220.069     280.000       7.194   12 
-     60000       12000.00      31.031     -34.906      -3.876   5.28 0.286 0.556 0.253 0.857     281.526     280.000       7.269   12 
-     70000       14000.00      26.317     -29.127      -2.810   4.08 0.071 0.909 0.202 1.982     238.764     280.000       7.297   12 
-     80000       16000.00      28.322     -34.717      -6.396   6.93 0.214 0.500 0.167 1.322     256.948     280.000      10.591   12 
-     90000       18000.00      35.237     -31.827       3.410   5.97 0.357 0.545 0.182 3.159     319.687     280.000       9.225   12 
-    100000       20000.00      24.780     -40.055     -15.275   7.35 0.214 0.625 0.205 2.313     224.820     280.000       9.290   12 
-    110000       22000.00      35.732     -43.297      -7.565   6.34 0.214 0.571 0.175 0.963     324.176     280.000      10.277   12 
-    120000       24000.00      30.249     -43.086     -12.837   4.22 0.286 0.667 0.201 1.602     274.432     280.000       7.442   12 
-    130000       26000.00      24.687     -53.131     -28.444   2.81 0.286 0.733 0.273 2.337     223.975     280.000       6.495   12 
-    140000       28000.00      24.360     -38.817     -14.457   2.96 0.286 0.556 0.202 2.466     221.005     280.000       6.836   12 
-    150000       30000.00      28.375     -57.553     -29.178   2.48 0.429 0.667 0.290 1.452     257.436     280.000       6.406   12 
-    160000       32000.00      22.476     -57.276     -34.800   2.50 0.500 0.611 0.301 1.246     203.915     280.000       6.471   12 
-    170000       34000.00      22.898     -62.063     -39.165   3.00 0.286 0.765 0.324 1.165     207.744     280.000       6.528   12 
-    180000       36000.00      38.995     -36.409       2.586   4.42 0.214 0.700 0.195 1.658     353.782     280.000       7.345   12 
-    190000       38000.00      30.091     -56.144     -26.053   2.79 0.214 0.800 0.345 1.723     272.999     280.000       6.770   12 
-    200000       40000.00      26.730     -37.037     -10.307   2.72 0.429 0.538 0.259 1.908     242.510     280.000       6.827   12 
-    210000       42000.00      26.291     -58.433     -32.142   2.03 0.429 0.538 0.297 0.489     238.523     280.000       6.612   12 
-    220000       44000.00      29.129     -42.740     -13.611   2.26 0.357 0.500 0.282 1.938     264.271     280.000       6.947   12 
-    230000       46000.00      24.977     -53.929     -28.952   3.68 0.500 0.533 0.242 1.049     226.601     280.000       7.017   12 
-    240000       48000.00      25.594     -49.234     -23.640   2.08 0.429 0.571 0.253 1.656     232.202     280.000       6.756   12 
-    250000       50000.00      29.835     -51.805     -21.970   2.88 0.429 0.625 0.273 2.151     270.679     280.000       6.599   12 
-    260000       52000.00      27.016     -48.643     -21.627   3.10 0.357 0.500 0.227 2.933     245.101     280.000       7.086   12 
-    270000       54000.00      32.113     -40.897      -8.784   2.47 0.429 0.500 0.223 2.838     291.346     280.000       6.820   12 
-    280000       56000.00      25.178     -58.961     -33.783   2.49 0.357 0.643 0.286 1.223     228.425     280.000       6.382   12 
-    290000       58000.00      29.868     -58.676     -28.808   2.67 0.429 0.684 0.299 3.256     270.976     280.000       6.270   12 
-    300000       60000.00      24.811     -53.938     -29.127   1.84 0.429 0.625 0.307 1.234     225.097     280.000       6.681   12 
-    310000       62000.00      28.621     -45.702     -17.081   2.37 0.357 0.615 0.304 0.920     259.663     280.000       6.559   12 
-    320000       64000.00      28.062     -41.051     -12.990   1.67 0.571 0.429 0.338 1.893     254.590     280.000       6.764   12 
-    330000       66000.00      27.450     -51.670     -24.220   2.97 0.214 0.727 0.364 2.290     249.042     280.000       6.384   12 
-    340000       68000.00      34.113     -45.049     -10.936   1.82 0.714 0.412 0.337 2.743     309.487     280.000       6.611   12 
-    350000       70000.00      25.604     -46.860     -21.256   3.44 0.357 0.722 0.303 1.849     232.292     280.000       6.304   12 
-    360000       72000.00      27.533     -55.537     -28.004   1.75 0.571 0.429 0.269 1.720     249.795     280.000       6.523   12 
-    370000       74000.00      29.849     -53.227     -23.378   1.99 0.357 0.643 0.240 1.785     270.804     280.000       7.093   12 
-    380000       76000.00      28.797     -52.536     -23.739   3.55 0.286 0.692 0.364 2.292     261.265     280.000       6.719   12 
-    390000       78000.00      30.458     -46.487     -16.029   2.90 0.357 0.583 0.295 1.046     276.329     280.000       7.470   12 
-    400000       80000.00      21.999     -53.919     -31.920   1.72 0.357 0.643 0.299 1.635     199.583     280.000       6.732   12 
-    410000       82000.00      27.941     -50.659     -22.718   2.79 0.286 0.714 0.347 2.138     253.500     280.000       6.518   12 
-    420000       84000.00      30.949     -52.496     -21.548   2.50 0.571 0.600 0.289 3.807     280.782     280.000       6.516   12 
-    430000       86000.00      30.560     -59.301     -28.742   2.26 0.429 0.538 0.304 0.799     277.254     280.000       6.609   12 
-    440000       88000.00      25.847     -34.379      -8.532   6.68 0.214 0.500 0.189 2.109     234.501     280.000       8.051   12 
-    450000       90000.00      30.535     -44.375     -13.840   2.86 0.286 0.667 0.341 1.450     277.028     280.000       6.570   12 
-    460000       92000.00      34.158     -46.456     -12.298   3.64 0.286 0.600 0.200 1.185     309.896     280.000       7.659   12 
-    470000       94000.00      29.013     -58.902     -29.889   3.45 0.357 0.667 0.352 0.673     263.220     280.000       7.025   12 
-    480000       96000.00      29.740     -47.538     -17.798   1.69 0.357 0.500 0.295 2.208     269.816     280.000       6.835   12 
-    490000       98000.00      26.260     -55.223     -28.964   3.03 0.357 0.667 0.309 1.858     238.241     280.000       6.727   12 
-    500000      100000.00      28.061     -56.404     -28.342   2.40 0.500 0.417 0.311 1.622     254.585     280.000       6.973   12 
-    510000      102000.00      32.106     -58.680     -26.574   2.87 0.214 0.769 0.269 1.145     291.281     280.000       6.492   12 
-    520000      104000.00      34.205     -38.926      -4.721   3.19 0.571 0.385 0.185 1.286     310.324     280.000       7.247   12 
-    530000      106000.00      28.826     -55.185     -26.359   2.10 0.357 0.500 0.277 2.273     261.525     280.000       6.802   12 
-    540000      108000.00      20.087     -40.786     -20.698   3.25 0.214 0.625 0.205 1.943     182.244     280.000       7.704   12 
-    550000      110000.00      25.392     -43.590     -18.198   3.45 0.357 0.643 0.244 2.068     230.367     280.000       6.725   12 
-    560000      112000.00      25.468     -55.939     -30.471   1.99 0.571 0.529 0.294 0.686     231.055     280.000       6.260   12 
-    570000      114000.00      24.372     -45.033     -20.662   1.77 0.429 0.538 0.231 2.129     221.112     280.000       6.861   12 
-    580000      116000.00      32.704     -40.628      -7.924   2.17 0.429 0.571 0.312 1.783     296.704     280.000       6.920   12 
-    590000      118000.00      28.252     -39.979     -11.727   3.54 0.143 0.818 0.256 1.447     256.315     280.000       6.768   12 
-    600000      120000.00      27.063     -45.952     -18.889   4.89 0.143 0.867 0.348 1.700     245.530     280.000       6.540   12 
-    610000      122000.00      32.495     -43.387     -10.892   4.39 0.286 0.600 0.368 1.440     294.809     280.000       7.037   12 
-    620000      124000.00      27.676     -47.743     -20.067   5.33 0.143 0.833 0.326 0.760     251.091     280.000       6.551   12 
-    630000      126000.00      28.053     -38.396     -10.343   6.08 0.214 0.769 0.280 3.147     254.511     280.000       6.610   12 
-    640000      128000.00      24.366     -48.560     -24.194   5.06 0.214 0.667 0.242 1.112     221.064     280.000       6.970   12 
-    650000      130000.00      23.378     -52.973     -29.595   6.04 0.357 0.667 0.276 1.874     212.101     280.000       6.838   12 
-    660000      132000.00      26.113     -51.243     -25.130   5.69 0.286 0.765 0.324 1.096     236.915     280.000       6.534   12 
-    670000      134000.00      22.075     -41.759     -19.684   5.20 0.214 0.769 0.294 1.086     200.274     280.000       6.433   12 
-    680000      136000.00      25.456     -39.788     -14.332   5.49 0.143 0.846 0.266 0.715     230.954     280.000       6.881   12 
-    690000      138000.00      27.778     -43.253     -15.475   6.69 0.214 0.769 0.350 1.266     252.020     280.000       6.558   12 
-    700000      140000.00      32.484     -42.180      -9.697   4.97 0.286 0.500 0.188 1.661     294.708     280.000       7.255   12 
-    710000      142000.00      32.748     -44.101     -11.354   6.09 0.000 1.000 0.209 1.556     297.104     280.000       8.768   12 
-    720000      144000.00      29.332     -42.372     -13.040   2.72 0.357 0.444 0.187 1.050     266.117     280.000       7.460   12 
-    730000      146000.00      23.856     -51.782     -27.926   2.05 0.286 0.667 0.205 0.904     216.432     280.000       6.654   12 
-    740000      148000.00      35.145     -50.118     -14.973   3.60 0.214 0.750 0.265 1.475     318.851     280.000       6.634   12 
-    750000      150000.00      25.828     -38.997     -13.169   3.80 0.214 0.700 0.332 2.529     234.324     280.000       7.452   12 
-    760000      152000.00      22.625     -47.079     -24.453   3.76 0.357 0.706 0.385 1.793     205.270     280.000       6.205   12 
-    770000      154000.00      26.334     -53.564     -27.231   2.57 0.429 0.538 0.241 1.547     238.913     280.000       6.474   12 
-    780000      156000.00      32.901     -39.555      -6.654   4.12 0.143 0.778 0.247 1.562     298.496     280.000       6.671   12 
-    790000      158000.00      28.233     -47.621     -19.388   4.99 0.357 0.615 0.385 0.717     256.144     280.000       6.855   12 
-    800000      160000.00      34.044     -46.705     -12.661   6.47 0.429 0.538 0.311 2.757     308.867     280.000       6.641   12 
-    810000      162000.00      24.336     -61.715     -37.379   6.21 0.357 0.722 0.215 1.329     220.790     280.000       6.862   12 
-    820000      164000.00      24.150     -55.318     -31.168   5.90 0.214 0.800 0.224 1.574     219.101     280.000       6.714   12 
-    830000      166000.00      25.889     -43.801     -17.911   6.16 0.071 0.900 0.218 1.138     234.881     280.000       7.695   12 
-    840000      168000.00      31.317     -49.551     -18.234   4.10 0.214 0.667 0.187 1.006     284.125     280.000       8.361   12 
-    850000      170000.00      34.047     -44.017      -9.970   5.69 0.143 0.714 0.227 1.959     308.891     280.000       7.213   12 
-    860000      172000.00      20.583     -31.196     -10.613   7.41 0.286 0.429 0.188 1.749     186.741     280.000      10.664   12 
-    870000      174000.00      29.487     -48.508     -19.021   6.28 0.143 0.833 0.261 1.158     267.519     280.000       6.963   12 
-    880000      176000.00      25.277     -41.857     -16.579   4.85 0.214 0.625 0.347 1.053     229.330     280.000       7.991   12 
-    890000      178000.00      27.671     -47.363     -19.692   5.97 0.214 0.700 0.214 1.324     251.045     280.000       8.537   12 
-    900000      180000.00      24.559     -44.290     -19.731   2.88 0.286 0.667 0.330 2.387     222.814     280.000       6.575   12 
-    910000      182000.00      27.151     -55.662     -28.511   3.77 0.357 0.750 0.405 1.308     246.331     270.000       6.136   12 
-    920000      184000.00      20.961     -52.575     -31.614   3.85 0.429 0.647 0.377 1.059     190.170     270.000       6.270   12 
-    930000      186000.00      32.851     -52.044     -19.194   2.41 0.357 0.615 0.213 1.097     298.040     270.000       6.866   12 
-    940000      188000.00      28.840     -62.146     -33.307   2.29 0.571 0.529 0.275 1.127     261.648     270.000       6.512   12 
-    950000      190000.00      23.101     -61.758     -38.657   2.27 0.643 0.526 0.304 1.078     209.586     270.000       6.419   12 
-    960000      192000.00      26.094     -50.819     -24.725   2.24 0.500 0.588 0.211 1.300     236.740     270.000       7.204   12 
-    970000      194000.00      26.450     -59.713     -33.263   2.04 0.357 0.667 0.297 2.130     239.967     270.000       6.540   12 
-    980000      196000.00      26.611     -52.589     -25.979   2.68 0.429 0.500 0.265 1.779     241.428     270.000       6.450   12 
-    990000      198000.00      32.077     -57.966     -25.889   2.21 0.643 0.400 0.248 1.885     291.023     270.000       6.360   12 
-   1000000      200000.00      24.835     -52.242     -27.407   3.21 0.357 0.667 0.236 1.313     225.316     270.000       6.608   12 
+         0           0.00      23.104      24.771      47.876  12.87 0.000   NaN   NaN 0.707     209.612     310.000      15.552   12 
+     10000        2000.00      26.650     -18.276       8.374   5.63 0.071 0.833 0.265 1.523     241.785     310.000       8.109   12 
+     20000        4000.00      28.716       3.673      32.390   8.49 0.071 0.500 0.182 2.061     260.530     310.000      11.339   12 
+     30000        6000.00      38.331     -27.135      11.196   4.75 0.214 0.625 0.312 0.849     347.758     310.000       7.789   12 
+     40000        8000.00      30.479     -18.892      11.587   4.30 0.214 0.400 0.155 1.768     276.522     310.000       9.131   12 
+     50000       10000.00      41.705     -34.972       6.733   4.89 0.357 0.583 0.341 1.333     378.365     310.000       7.097   12 
+     60000       12000.00      23.504     -33.556     -10.052   5.22 0.286 0.714 0.383 1.649     213.237     310.000       7.155   12 
+     70000       14000.00      41.093     -30.100      10.993   5.37 0.214 0.625 0.511 1.825     372.820     310.000       7.598   12 
+     80000       16000.00      36.737     -19.326      17.410   5.30 0.143 0.667 0.227 1.502     333.295     310.000       7.590   12 
+     90000       18000.00      30.378     -32.247      -1.870   5.07 0.214 0.571 0.273 1.773     275.603     310.000       7.177   12 
+    100000       20000.00      31.068     -18.217      12.851   5.91 0.143 0.667 0.242 1.151     281.861     310.000       8.911   12 
+    110000       22000.00      31.263     -36.588      -5.325   4.13 0.143 0.833 0.277 2.806     283.634     290.000       7.297   12 
+    120000       24000.00      23.525     -26.599      -3.074   5.51 0.357 0.545 0.277 1.158     213.430     290.000       6.866   12 
+    130000       26000.00      28.710     -18.289      10.421   5.27 0.000 1.000 0.427 1.786     260.474     290.000       7.445   12 
+    140000       28000.00      27.376     -32.696      -5.320   3.47 0.143 0.714 0.377 1.448     248.369     290.000       7.366   12 
+    150000       30000.00      21.378     -29.468      -8.090   5.30 0.429 0.500 0.348 1.744     193.952     290.000       6.760   12 
+    160000       32000.00      33.890     -29.890       4.001   5.45 0.357 0.667 0.309 1.236     307.469     290.000       6.680   12 
+    170000       34000.00      36.124     -39.866      -3.743   4.76 0.214 0.667 0.298 2.789     327.734     290.000       6.972   12 
+    180000       36000.00      28.214     -38.859     -10.645   5.00 0.214 0.667 0.288 1.108     255.973     290.000       7.216   12 
+    190000       38000.00      32.300     -41.672      -9.372   5.03 0.214 0.727 0.298 0.766     293.044     290.000       6.876   12 
+    200000       40000.00      31.816     -31.080       0.736   4.13 0.214 0.769 0.217 3.771     288.655     290.000       6.947   12 
+    210000       42000.00      23.067     -47.115     -24.047   5.35 0.143 0.750 0.290 0.692     209.280     280.000       7.010   12 
+    220000       44000.00      33.657     -43.595      -9.938   5.12 0.143 0.800 0.291 2.466     305.357     280.000       6.595   12 
+    230000       46000.00      33.773     -36.819      -3.046   5.04 0.071 0.900 0.282 1.307     306.405     280.000       7.501   12 
+    240000       48000.00      27.738     -39.693     -11.955   5.84 0.214 0.786 0.331 2.330     251.657     280.000       6.628   12 
+    250000       50000.00      27.051     -39.503     -12.452   4.13 0.286 0.600 0.223 0.919     245.423     280.000       7.342   12 
+    260000       52000.00      27.301     -40.918     -13.617   7.10 0.286 0.733 0.224 2.208     247.689     280.000       7.231   12 
+    270000       54000.00      31.042     -42.012     -10.970   4.93 0.143 0.818 0.285 2.563     281.625     280.000       7.042   12 
+    280000       56000.00      22.117     -45.019     -22.902   4.69 0.214 0.750 0.292 1.249     200.657     280.000       6.590   12 
+    290000       58000.00      26.023     -25.200       0.822   4.19 0.214 0.500 0.189 1.412     236.090     280.000       8.366   12 
+    300000       60000.00      32.179     -18.010      14.170   4.66 0.143 0.500 0.284 2.506     291.948     280.000       7.459   12 
+    310000       62000.00      35.423     -30.799       4.624   5.29 0.214 0.625 0.295 1.299     321.379     320.000       7.088   12 
+    320000       64000.00      30.116     -25.748       4.368   4.75 0.214 0.625 0.227 1.613     273.225     320.000       7.322   12 
+    330000       66000.00      33.675     -27.671       6.004   6.75 0.286 0.600 0.273 1.298     305.515     320.000       7.515   12 
+    340000       68000.00      35.131     -18.046      17.085   5.05 0.214 0.400 0.145 1.837     318.726     320.000       8.584   12 
+    350000       70000.00      27.333     -17.807       9.526   3.77 0.143 0.333 0.182 1.173     247.981     320.000       8.021   12 
+    360000       72000.00      21.399      -9.933      11.466   5.35 0.071 0.750 0.273 1.977     194.144     320.000       8.799   12 
+    370000       74000.00      30.764     -16.920      13.844   4.75 0.286 0.429 0.234 1.417     279.103     320.000       7.592   12 
+    380000       76000.00      25.930      -7.520      18.410   6.73 0.143 0.500 0.170 2.168     235.249     320.000      10.091   12 
+    390000       78000.00      35.340     -11.098      24.242   4.76 0.071 0.800 0.309 2.923     320.620     320.000       8.121   12 
+    400000       80000.00      28.053     -22.256       5.797   5.64 0.214 0.667 0.394 1.965     254.515     320.000       7.162   12 
+    410000       82000.00      33.257     -25.538       7.719   5.45 0.214 0.625 0.369 1.480     301.724     310.000       7.172   12 
+    420000       84000.00      31.849     -28.729       3.120   5.30 0.143 0.857 0.351 3.507     288.950     310.000       7.399   12 
+    430000       86000.00      32.221     -12.190      20.031   5.69 0.143 0.333 0.212 1.710     292.328     310.000       9.892   12 
+    440000       88000.00      31.837     -32.624      -0.787   5.70 0.286 0.692 0.406 1.772     288.845     310.000       6.967   12 
+    450000       90000.00      30.612     -29.713       0.899   3.67 0.357 0.500 0.195 1.795     277.729     310.000       7.781   12 
+    460000       92000.00      31.877     -26.014       5.864   4.62 0.214 0.667 0.308 1.447     289.206     310.000       7.401   12 
+    470000       94000.00      40.555     -16.896      23.659   4.82 0.286 0.556 0.222 2.209     367.934     310.000       7.422   12 
+    480000       96000.00      32.009     -11.849      20.160   3.78 0.214 0.500 0.326 2.294     290.404     310.000       8.286   12 
+    490000       98000.00      29.956     -24.198       5.759   3.97 0.286 0.333 0.212 2.413     271.778     310.000       8.018   12 
+    500000      100000.00      23.100     -26.056      -2.956   4.62 0.286 0.600 0.300 1.689     209.578     310.000       7.505   12 
+    510000      102000.00      23.949     -24.347      -0.397   4.53 0.214 0.667 0.394 1.267     217.282     310.000       7.585   12 
+    520000      104000.00      25.757     -30.551      -4.794   7.31 0.286 0.429 0.188 1.140     233.681     310.000      10.058   12 
+    530000      106000.00      30.796      -0.424      30.372   5.66 0.000 1.000 0.818 2.440     279.400     310.000       9.885   12 
+    540000      108000.00      22.834     -18.598       4.235   9.41 0.214 0.667 0.232 1.068     207.159     310.000      11.747   12 
+    550000      110000.00      33.788     -14.874      18.913   4.05 0.000 1.000 0.404 1.496     306.539     310.000       7.278   12 
+    560000      112000.00      34.938     -13.222      21.715   5.55 0.286 0.556 0.399 1.156     316.971     310.000       8.105   12 
+    570000      114000.00      30.669       1.268      31.937   6.74 0.143 0.600 0.291 2.561     278.243     310.000       7.472   12 
+    580000      116000.00      31.133     -25.187       5.946   6.72 0.071 0.875 0.364 1.070     282.454     310.000       7.188   12 
+    590000      118000.00      30.102     -12.752      17.350   6.88 0.000 1.000 0.273 1.599     273.103     310.000       7.840   12 
+    600000      120000.00      43.064     -25.957      17.106   5.41 0.071 0.889 0.384 2.368     390.697     310.000       7.054   12 
+    610000      122000.00      41.927     -22.523      19.404   6.38 0.071 0.800 0.336 2.311     380.383     330.000       7.664   12 
+    620000      124000.00      30.815     -13.439      17.376   6.98 0.071 0.857 0.357 2.165     279.569     330.000       8.396   12 
+    630000      126000.00      30.387     -16.664      13.723   6.02 0.214 0.400 0.291 2.515     275.687     330.000       8.691   12 
+    640000      128000.00      30.266      -9.766      20.500   6.19 0.071 0.800 0.409 1.290     274.589     330.000       8.634   12 
+    650000      130000.00      25.570     -17.215       8.355   5.54 0.071 0.800 0.382 1.283     231.981     330.000       9.622   12 
+    660000      132000.00      37.977      -5.231      32.745   5.99 0.071 0.800 0.236 1.922     344.543     330.000       8.647   12 
+    670000      134000.00      24.220      -9.230      14.989   4.40 0.000 1.000 0.227 3.333     219.735     330.000       8.302   12 
+    680000      136000.00      29.120     -23.697       5.423   5.91 0.286 0.600 0.227 1.387     264.190     330.000       7.506   12 
+    690000      138000.00      35.393      -3.447      31.945   4.29 0.286 0.429 0.227 1.546     321.101     330.000       8.300   12 
+    700000      140000.00      29.302     -23.785       5.517   3.55 0.071 0.833 0.326 0.878     265.842     330.000       7.462   12 
+    710000      142000.00      29.632     -15.982      13.650   3.45 0.000 1.000 0.330 2.055     268.837     330.000       7.930   12 
+    720000      144000.00      34.090     -11.768      22.322   5.60 0.000 1.000 0.258 1.945     309.280     330.000       8.548   12 
+    730000      146000.00      36.498     -14.573      21.925   4.12 0.357 0.375 0.307 1.864     331.132     330.000       7.438   12 
+    740000      148000.00      28.489      -3.792      24.697   6.80 0.000 1.000 0.159 1.242     258.467     330.000      10.983   12 
+    750000      150000.00      35.771     -15.094      20.677   5.35 0.214 0.571 0.279 1.097     324.535     330.000       7.545   12 
+    760000      152000.00      31.449     -24.288       7.162   4.78 0.143 0.714 0.331 1.527     285.325     330.000       7.745   12 
+    770000      154000.00      33.016     -13.584      19.432   4.11 0.071 0.750 0.216 1.144     299.541     330.000       8.478   12 
+    780000      156000.00      27.944     -25.242       2.702   3.22 0.214 0.625 0.375 2.299     253.521     330.000       7.644   12 
+    790000      158000.00      25.326     -27.381      -2.055   4.12 0.286 0.500 0.301 1.666     229.774     330.000       7.720   12 
+    800000      160000.00      25.939      -4.059      21.880  11.53 0.071 0.000 0.136 2.177     235.333     330.000      14.835   12 
+    810000      162000.00      26.188     -24.122       2.066   4.96 0.286 0.500 0.222 1.120     237.594     330.000       7.202   12 
+    820000      164000.00      32.060     -11.792      20.268   5.00 0.214 0.500 0.280 1.890     290.867     330.000       7.836   12 
+    830000      166000.00      32.031     -19.881      12.151   5.53 0.143 0.750 0.239 1.682     290.606     330.000       7.416   12 
+    840000      168000.00      28.300     -16.902      11.398   7.05 0.071 0.875 0.352 1.899     256.753     330.000       6.977   12 
+    850000      170000.00      27.576     -20.293       7.283   6.44 0.000 1.000 0.477 1.298     250.184     330.000       8.888   12 
+    860000      172000.00      25.739     -18.649       7.090   5.98 0.214 0.000 0.288 2.559     233.515     330.000       8.164   12 
+    870000      174000.00      41.703     -16.363      25.340   4.13 0.286 0.333 0.295 2.525     378.355     330.000       8.860   12 
+    880000      176000.00      35.873      -2.511      33.362   5.06 0.071 0.750 0.432 1.780     325.457     330.000       8.103   12 
+    890000      178000.00      30.740     -12.759      17.980   6.27 0.000 1.000 0.303 1.324     278.885     330.000       8.604   12 
+    900000      180000.00      40.729     -13.827      26.901   5.84 0.214 0.500 0.189 3.288     369.511     330.000       8.272   12 
+    910000      182000.00      36.186      -8.351      27.835   5.56 0.071 0.667 0.212 1.355     328.296     330.000       9.536   12 
+    920000      184000.00      32.555      -4.973      27.583   9.41 0.000 1.000 0.205 1.589     295.359     330.000      12.130   12 
+    930000      186000.00      32.500      -5.777      26.723   6.85 0.000 1.000 0.227 2.260     294.858     330.000       9.259   12 
+    940000      188000.00      34.983     -13.047      21.936   9.28 0.071 0.000 0.182 1.148     317.380     330.000      12.193   12 
+    950000      190000.00      32.005      -5.529      26.476   5.93 0.071 0.500 0.205 2.449     290.367     330.000       9.135   12 
+    960000      192000.00      20.437     -15.935       4.502   6.00 0.000   NaN   NaN 1.340     185.416     330.000       9.921   12 
+    970000      194000.00      35.974     -15.296      20.678   5.54 0.071 0.667 0.500 1.077     326.376     330.000       8.864   12 
+    980000      196000.00      29.631      -2.680      26.951   5.09 0.214 0.625 0.256 3.729     268.831     330.000       8.074   12 
+    990000      198000.00      34.131     -17.142      16.989   4.80 0.143 0.600 0.255 1.373     309.650     330.000       7.726   12 
+   1000000      200000.00      28.165     -25.913       2.252   4.22 0.143 0.714 0.305 2.024     255.530     330.000       7.574   12 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB013.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB013.stat
index b60d49e..fdefb93 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB013.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB013.stat
@@ -1,101 +1,101 @@
-         0           0.00      31.097      21.317      52.414  12.87 0.000   NaN   NaN 0.936     282.130     280.000      15.552   13 
-     10000        2000.00      36.936     -16.409      20.527   9.00 0.214 0.400 0.173 1.283     335.100     280.000      13.029   13 
-     20000        4000.00      24.960     -37.221     -12.262   4.86 0.357 0.667 0.321 2.408     226.446     280.000       6.575   13 
-     30000        6000.00      24.458     -48.587     -24.129   4.57 0.357 0.688 0.392 1.400     221.896     280.000       6.604   13 
-     40000        8000.00      32.488     -50.213     -17.726   4.55 0.357 0.615 0.416 1.447     294.746     280.000       6.698   13 
-     50000       10000.00      25.973     -40.912     -14.939   4.91 0.286 0.600 0.177 1.864     235.639     280.000       7.641   13 
-     60000       12000.00      23.176     -42.214     -19.038   4.06 0.143 0.833 0.231 1.934     210.263     280.000       6.729   13 
-     70000       14000.00      31.763     -46.259     -14.496   4.12 0.214 0.824 0.316 2.002     288.166     280.000       6.585   13 
-     80000       16000.00      32.443     -49.194     -16.751   4.96 0.286 0.733 0.315 1.633     294.340     280.000       6.349   13 
-     90000       18000.00      30.613     -54.620     -24.006   5.50 0.500 0.650 0.366 1.812     277.741     280.000       6.656   13 
-    100000       20000.00      28.156     -55.862     -27.706   4.95 0.429 0.600 0.255 1.881     255.443     280.000       6.570   13 
-    110000       22000.00      25.059     -52.150     -27.091   6.39 0.286 0.600 0.218 1.071     227.346     280.000       7.280   13 
-    120000       24000.00      27.333     -47.124     -19.792   5.23 0.500 0.462 0.178 1.262     247.975     280.000       7.666   13 
-    130000       26000.00      26.609     -50.182     -23.572   6.94 0.143 0.818 0.244 2.033     241.414     280.000       7.442   13 
-    140000       28000.00      25.302     -50.671     -25.369   4.78 0.286 0.733 0.324 0.746     229.548     280.000       6.628   13 
-    150000       30000.00      22.706     -48.608     -25.902   4.66 0.286 0.714 0.227 0.852     206.000     280.000       7.288   13 
-    160000       32000.00      19.267     -40.624     -21.357   4.28 0.214 0.500 0.182 1.020     174.798     280.000       8.293   13 
-    170000       34000.00      25.910     -50.049     -24.139   4.79 0.143 0.857 0.325 0.891     235.072     280.000       6.838   13 
-    180000       36000.00      23.931     -47.196     -23.266   3.46 0.500 0.500 0.240 1.989     217.111     280.000       7.186   13 
-    190000       38000.00      31.502     -52.307     -20.804   5.68 0.214 0.786 0.289 1.572     285.805     280.000       6.727   13 
-    200000       40000.00      33.773     -43.909     -10.136   4.55 0.429 0.538 0.353 1.648     306.405     280.000       7.261   13 
-    210000       42000.00      24.923     -53.054     -28.131   5.73 0.214 0.786 0.299 1.611     226.117     280.000       6.995   13 
-    220000       44000.00      29.915     -46.654     -16.739   4.63 0.357 0.643 0.276 1.299     271.409     280.000       6.813   13 
-    230000       46000.00      19.392     -41.142     -21.750   5.06 0.143 0.750 0.227 1.431     175.933     280.000       6.975   13 
-    240000       48000.00      22.726     -53.932     -31.206   5.98 0.286 0.667 0.314 1.109     206.178     280.000       6.758   13 
-    250000       50000.00      30.712     -56.508     -25.795   6.17 0.214 0.700 0.273 1.804     278.639     280.000       6.592   13 
-    260000       52000.00      26.310     -58.125     -31.815   6.14 0.429 0.600 0.215 1.350     238.697     280.000       7.381   13 
-    270000       54000.00      33.200     -50.784     -17.584   3.20 0.214 0.700 0.409 1.380     301.209     280.000       6.510   13 
-    280000       56000.00      24.648     -43.884     -19.236   3.93 0.286 0.692 0.318 0.928     223.619     280.000       6.628   13 
-    290000       58000.00      29.854     -56.085     -26.231   2.90 0.500 0.462 0.213 0.964     270.850     280.000       6.955   13 
-    300000       60000.00      24.372     -48.535     -24.163   2.22 0.571 0.529 0.283 1.401     221.111     280.000       6.701   13 
-    310000       62000.00      28.628     -41.802     -13.174   2.45 0.500 0.500 0.305 1.965     259.730     280.000       6.607   13 
-    320000       64000.00      29.685     -45.066     -15.381   3.35 0.286 0.667 0.235 2.936     269.313     280.000       6.786   13 
-    330000       66000.00      25.542     -35.765     -10.223   6.48 0.357 0.615 0.210 1.366     231.730     280.000       8.435   13 
-    340000       68000.00      29.234     -45.191     -15.958   4.53 0.214 0.667 0.177 1.067     265.222     280.000       7.383   13 
-    350000       70000.00      25.257     -46.108     -20.851   6.98 0.429 0.500 0.208 2.053     229.146     280.000       7.413   13 
-    360000       72000.00      27.108     -41.889     -14.781   3.26 0.429 0.571 0.227 1.313     245.935     280.000       7.186   13 
-    370000       74000.00      27.470     -51.152     -23.682   2.34 0.571 0.500 0.298 2.220     249.223     280.000       6.494   13 
-    380000       76000.00      30.035     -50.802     -20.767   2.11 0.429 0.571 0.192 1.656     272.497     280.000       7.169   13 
-    390000       78000.00      24.491     -47.433     -22.942   3.91 0.357 0.615 0.304 1.617     222.198     280.000       6.596   13 
-    400000       80000.00      32.689     -46.404     -13.715   4.48 0.214 0.786 0.282 2.247     296.575     280.000       6.513   13 
-    410000       82000.00      23.936     -51.881     -27.945   6.99 0.357 0.615 0.182 1.090     217.160     280.000       8.185   13 
-    420000       84000.00      31.623     -50.805     -19.181   2.46 0.429 0.600 0.239 2.025     286.901     280.000       6.592   13 
-    430000       86000.00      23.852     -52.806     -28.954   3.12 0.357 0.583 0.326 1.200     216.400     280.000       6.438   13 
-    440000       88000.00      22.779     -50.716     -27.937   2.41 0.500 0.533 0.297 1.588     206.661     280.000       6.553   13 
-    450000       90000.00      36.879     -41.938      -5.059   3.44 0.357 0.706 0.342 1.173     334.584     280.000       6.725   13 
-    460000       92000.00      24.345     -57.610     -33.266   2.24 0.429 0.625 0.256 2.108     220.866     280.000       6.407   13 
-    470000       94000.00      36.484     -50.857     -14.373   3.34 0.429 0.600 0.267 1.751     331.000     280.000       6.696   13 
-    480000       96000.00      30.800     -40.180      -9.380   2.26 0.286 0.733 0.324 1.257     279.434     280.000       6.700   13 
-    490000       98000.00      22.898     -48.417     -25.519   4.38 0.429 0.600 0.345 2.473     207.744     280.000       7.402   13 
-    500000      100000.00      28.786     -47.864     -19.078   6.55 0.214 0.727 0.351 1.669     261.158     280.000       6.671   13 
-    510000      102000.00      28.670     -51.402     -22.732   5.26 0.286 0.636 0.384 1.868     260.106     270.000       6.791   13 
-    520000      104000.00      19.876     -56.225     -36.349   4.67 0.357 0.667 0.288 1.704     180.321     270.000       6.705   13 
-    530000      106000.00      25.901     -54.040     -28.139   4.67 0.286 0.636 0.289 1.529     234.988     270.000       6.844   13 
-    540000      108000.00      23.795     -47.070     -23.274   5.65 0.214 0.667 0.192 2.241     215.882     270.000       7.652   13 
-    550000      110000.00      21.994     -54.356     -32.362   1.98 0.286 0.692 0.283 1.225     199.539     270.000       6.606   13 
-    560000      112000.00      22.884     -51.533     -28.649   1.71 0.429 0.538 0.262 1.145     207.617     270.000       6.847   13 
-    570000      114000.00      25.103     -50.229     -25.125   3.15 0.286 0.667 0.295 1.854     227.748     270.000       6.757   13 
-    580000      116000.00      27.854     -43.892     -16.038   3.30 0.214 0.786 0.377 1.933     252.707     270.000       6.896   13 
-    590000      118000.00      24.505     -47.734     -23.230   5.27 0.286 0.750 0.318 2.614     222.320     270.000       6.545   13 
-    600000      120000.00      22.899     -47.845     -24.946   5.88 0.214 0.700 0.241 1.900     207.753     270.000       7.388   13 
-    610000      122000.00      23.212     -48.787     -25.575   4.99 0.286 0.692 0.199 1.836     210.588     270.000       6.693   13 
-    620000      124000.00      30.242     -50.832     -20.590   5.58 0.286 0.733 0.248 1.173     274.371     270.000       6.607   13 
-    630000      126000.00      26.787     -50.679     -23.893   4.89 0.286 0.692 0.297 2.546     243.021     270.000       6.765   13 
-    640000      128000.00      27.365     -50.239     -22.874   4.75 0.286 0.556 0.232 1.776     248.271     270.000       7.288   13 
-    650000      130000.00      24.758     -53.127     -28.369   5.90 0.143 0.833 0.269 1.591     224.615     270.000       6.567   13 
-    660000      132000.00      27.235     -53.534     -26.299   6.34 0.286 0.765 0.249 0.985     247.090     270.000       6.604   13 
-    670000      134000.00      24.773     -48.186     -23.413   4.99 0.286 0.429 0.175 1.056     224.755     270.000       8.650   13 
-    680000      136000.00      22.289     -52.252     -29.963   1.74 0.429 0.571 0.328 2.056     202.219     270.000       6.699   13 
-    690000      138000.00      22.193     -48.947     -26.755   6.14 0.143 0.818 0.326 1.406     201.346     270.000       6.831   13 
-    700000      140000.00      27.235     -57.737     -30.502   6.01 0.500 0.562 0.341 3.220     247.091     270.000       6.457   13 
-    710000      142000.00      26.876     -55.121     -28.245   5.27 0.214 0.750 0.250 1.578     243.833     270.000       6.695   13 
-    720000      144000.00      32.657     -58.836     -26.178   5.81 0.286 0.778 0.346 1.472     296.285     270.000       6.498   13 
-    730000      146000.00      25.686     -49.461     -23.775   4.62 0.286 0.714 0.318 1.364     233.036     270.000       6.646   13 
-    740000      148000.00      36.178     -50.007     -13.829   5.51 0.429 0.625 0.222 2.178     328.227     270.000       6.762   13 
-    750000      150000.00      40.134     -52.547     -12.413   5.48 0.214 0.786 0.302 2.069     364.120     270.000       6.822   13 
-    760000      152000.00      23.485     -50.303     -26.819   4.62 0.357 0.643 0.292 2.138     213.064     270.000       6.531   13 
-    770000      154000.00      26.579     -52.337     -25.757   5.59 0.500 0.562 0.364 1.862     241.142     270.000       6.641   13 
-    780000      156000.00      29.635     -45.733     -16.098   5.12 0.357 0.615 0.318 0.908     268.861     270.000       6.656   13 
-    790000      158000.00      24.143     -62.789     -38.646   6.70 0.286 0.733 0.255 1.974     219.038     270.000       6.693   13 
-    800000      160000.00      27.142     -57.501     -30.359   6.26 0.071 0.889 0.247 1.540     246.244     270.000       7.080   13 
-    810000      162000.00      32.045     -49.372     -17.327   4.87 0.214 0.750 0.303 1.471     290.729     290.000       6.479   13 
-    820000      164000.00      34.032     -47.973     -13.940   4.64 0.357 0.688 0.267 1.570     308.759     290.000       6.645   13 
-    830000      166000.00      40.091     -44.886      -4.795   6.19 0.286 0.692 0.311 1.997     363.724     290.000       6.610   13 
-    840000      168000.00      29.819     -49.261     -19.442   6.09 0.500 0.500 0.182 0.724     270.537     290.000       7.304   13 
-    850000      170000.00      32.113     -45.915     -13.802   5.32 0.357 0.722 0.338 1.993     291.345     290.000       6.471   13 
-    860000      172000.00      30.531     -48.764     -18.233   5.20 0.214 0.727 0.269 2.343     276.993     290.000       6.773   13 
-    870000      174000.00      27.336     -46.352     -19.016   4.85 0.214 0.700 0.264 2.431     248.002     290.000       6.883   13 
-    880000      176000.00      30.169     -35.381      -5.212   6.68 0.143 0.714 0.240 1.590     273.707     290.000       7.275   13 
-    890000      178000.00      27.907     -36.155      -8.249   6.10 0.214 0.812 0.312 1.247     253.183     290.000       6.733   13 
-    900000      180000.00      28.581     -36.488      -7.907   6.10 0.143 0.833 0.322 1.333     259.303     290.000       6.862   13 
-    910000      182000.00      23.913     -51.218     -27.305   4.81 0.214 0.824 0.409 1.058     216.950     290.000       7.354   13 
-    920000      184000.00      27.743     -37.159      -9.416   6.01 0.357 0.545 0.252 1.039     251.702     290.000       7.046   13 
-    930000      186000.00      26.568     -45.475     -18.907   5.38 0.286 0.714 0.312 1.659     241.042     290.000       7.086   13 
-    940000      188000.00      26.267     -34.734      -8.467   5.37 0.214 0.667 0.434 1.953     238.308     290.000       6.838   13 
-    950000      190000.00      22.164     -44.186     -22.022   6.01 0.143 0.778 0.202 1.421     201.086     290.000       7.217   13 
-    960000      192000.00      26.957     -36.101      -9.144   5.65 0.214 0.750 0.292 1.126     244.564     290.000       7.061   13 
-    970000      194000.00      39.441     -41.616      -2.176   3.82 0.286 0.692 0.301 1.914     357.825     290.000       7.167   13 
-    980000      196000.00      33.148     -43.028      -9.880   5.74 0.286 0.636 0.298 1.195     300.734     290.000       7.258   13 
-    990000      198000.00      25.255     -36.375     -11.120   5.09 0.429 0.600 0.321 1.344     229.127     290.000       6.904   13 
-   1000000      200000.00      34.240     -43.434      -9.194   5.24 0.214 0.750 0.205 1.626     310.643     290.000       7.208   13 
+         0           0.00      30.754      24.771      55.525  12.87 0.000   NaN   NaN 0.707     279.012     310.000      15.552   13 
+     10000        2000.00      30.720     -13.624      17.096   5.47 0.071 0.750 0.409 1.453     278.706     310.000       9.455   13 
+     20000        4000.00      30.313     -24.717       5.597   6.33 0.214 0.625 0.239 1.501     275.020     310.000       7.399   13 
+     30000        6000.00      27.747     -13.927      13.820   5.21 0.214 0.250 0.182 1.524     251.738     310.000       7.759   13 
+     40000        8000.00      27.459     -36.162      -8.703   4.25 0.286 0.714 0.370 2.681     249.123     310.000       6.697   13 
+     50000       10000.00      26.108     -25.997       0.111   4.09 0.214 0.625 0.335 1.601     236.864     310.000       8.088   13 
+     60000       12000.00      28.415     -22.032       6.384   7.32 0.143 0.667 0.182 0.873     257.799     310.000      10.833   13 
+     70000       14000.00      29.974     -17.861      12.112   3.79 0.143 0.600 0.209 3.477     271.936     310.000       8.440   13 
+     80000       16000.00      32.128     -30.085       2.043   3.81 0.143 0.818 0.380 1.248     291.480     310.000       6.689   13 
+     90000       18000.00      29.539     -32.734      -3.196   5.28 0.214 0.750 0.386 1.593     267.989     310.000       7.197   13 
+    100000       20000.00      22.358     -28.159      -5.802   3.62 0.286 0.556 0.313 1.364     202.840     310.000       7.328   13 
+    110000       22000.00      30.167     -25.432       4.735   6.01 0.071 0.909 0.376 2.002     273.690     300.000       7.219   13 
+    120000       24000.00      34.234     -37.648      -3.413   3.84 0.143 0.750 0.352 1.255     310.591     300.000       7.022   13 
+    130000       26000.00      25.426     -39.361     -13.935   4.60 0.357 0.615 0.458 2.201     230.677     300.000       6.957   13 
+    140000       28000.00      30.661     -35.783      -5.121   4.57 0.143 0.857 0.321 1.377     278.175     300.000       6.926   13 
+    150000       30000.00      29.409     -21.306       8.102   5.02 0.143 0.714 0.195 2.426     266.810     300.000       8.624   13 
+    160000       32000.00      29.365     -28.326       1.039   2.75 0.214 0.500 0.174 1.622     266.413     300.000       7.925   13 
+    170000       34000.00      30.035     -32.232      -2.197   3.69 0.071 0.909 0.248 1.783     272.492     300.000       6.431   13 
+    180000       36000.00      30.800     -33.677      -2.877   6.67 0.143 0.778 0.263 1.850     279.431     300.000       7.225   13 
+    190000       38000.00      27.005     -22.835       4.170   3.31 0.286 0.667 0.212 1.341     245.003     300.000       7.573   13 
+    200000       40000.00      27.095     -19.140       7.955   3.58 0.214 0.625 0.375 2.248     245.822     300.000       7.295   13 
+    210000       42000.00      27.493     -38.435     -10.943   3.29 0.214 0.727 0.285 2.233     249.429     290.000       6.713   13 
+    220000       44000.00      20.438     -41.413     -20.974   5.47 0.286 0.778 0.270 1.013     185.427     290.000       7.325   13 
+    230000       46000.00      29.149     -40.230     -11.081   6.14 0.357 0.583 0.220 1.711     264.454     290.000       7.309   13 
+    240000       48000.00      32.223     -26.570       5.653   6.72 0.286 0.600 0.214 1.230     292.342     290.000       7.430   13 
+    250000       50000.00      31.943     -38.269      -6.327   2.81 0.286 0.636 0.273 1.620     289.799     290.000       6.541   13 
+    260000       52000.00      27.170     -30.397      -3.226   1.63 0.500 0.462 0.252 2.652     246.502     290.000       7.095   13 
+    270000       54000.00      25.397     -30.150      -4.753   3.23 0.286 0.556 0.177 1.307     230.415     290.000       7.910   13 
+    280000       56000.00      24.490     -24.524      -0.034   4.05 0.214 0.571 0.299 0.874     222.187     290.000       6.842   13 
+    290000       58000.00      34.304     -36.449      -2.145   3.51 0.214 0.786 0.315 1.320     311.226     290.000       7.098   13 
+    300000       60000.00      24.736     -41.245     -16.510   3.41 0.500 0.588 0.321 1.188     224.416     290.000       6.483   13 
+    310000       62000.00      32.854     -42.527      -9.672   3.62 0.286 0.714 0.380 0.746     298.072     290.000       6.385   13 
+    320000       64000.00      27.100     -36.249      -9.150   3.80 0.286 0.500 0.222 1.602     245.862     290.000       7.151   13 
+    330000       66000.00      26.497     -41.410     -14.913   2.59 0.429 0.538 0.287 0.783     240.397     290.000       6.703   13 
+    340000       68000.00      28.065     -38.717     -10.652   4.96 0.429 0.700 0.380 2.226     254.625     290.000       6.619   13 
+    350000       70000.00      25.742     -29.301      -3.559   5.95 0.214 0.667 0.333 1.670     233.545     290.000       8.512   13 
+    360000       72000.00      32.782     -47.772     -14.990   3.85 0.214 0.786 0.308 2.437     297.419     290.000       7.227   13 
+    370000       74000.00      29.456     -30.254      -0.798   3.65 0.286 0.667 0.295 2.614     267.243     290.000       6.794   13 
+    380000       76000.00      29.844     -34.979      -5.136   4.00 0.286 0.600 0.345 1.372     270.758     290.000       7.439   13 
+    390000       78000.00      25.173     -30.514      -5.340   3.09 0.500 0.300 0.264 1.619     228.384     290.000       7.414   13 
+    400000       80000.00      27.289     -34.793      -7.505   7.43 0.286 0.600 0.205 2.475     247.577     290.000       7.969   13 
+    410000       82000.00      27.399     -41.352     -13.953   5.78 0.286 0.636 0.198 1.459     248.580     280.000       7.690   13 
+    420000       84000.00      24.395     -50.160     -25.765   2.82 0.429 0.571 0.305 1.685     221.324     280.000       6.602   13 
+    430000       86000.00      26.070     -47.784     -21.714   2.67 0.429 0.600 0.264 1.474     236.520     280.000       6.735   13 
+    440000       88000.00      34.162     -38.095      -3.933   2.66 0.571 0.529 0.321 2.100     309.937     280.000       6.375   13 
+    450000       90000.00      22.637     -36.589     -13.952   2.31 0.357 0.583 0.360 2.106     205.373     280.000       7.149   13 
+    460000       92000.00      28.138     -36.154      -8.017   3.58 0.429 0.538 0.248 1.730     255.279     280.000       6.696   13 
+    470000       94000.00      31.183     -40.596      -9.413   2.62 0.429 0.500 0.295 2.295     282.905     280.000       7.278   13 
+    480000       96000.00      28.625     -53.032     -24.407   3.79 0.500 0.533 0.358 2.316     259.697     280.000       6.584   13 
+    490000       98000.00      36.876     -31.848       5.028   6.70 0.286 0.429 0.169 1.095     334.554     280.000       8.152   13 
+    500000      100000.00      36.309     -38.959      -2.650   5.69 0.357 0.545 0.285 0.897     329.410     280.000       7.237   13 
+    510000      102000.00      29.403     -32.670      -3.268   3.73 0.357 0.583 0.231 1.026     266.755     300.000       7.152   13 
+    520000      104000.00      32.434     -45.050     -12.617   7.26 0.214 0.786 0.266 1.031     294.256     300.000       7.205   13 
+    530000      106000.00      29.356     -27.430       1.927   5.57 0.214 0.625 0.295 1.458     266.336     300.000       6.930   13 
+    540000      108000.00      28.025     -38.505     -10.480   5.61 0.214 0.769 0.357 2.505     254.253     300.000       6.918   13 
+    550000      110000.00      33.695     -27.136       6.560   4.94 0.214 0.750 0.413 1.640     305.701     300.000       6.787   13 
+    560000      112000.00      30.180     -37.239      -7.059   6.17 0.143 0.882 0.273 2.096     273.806     300.000       6.961   13 
+    570000      114000.00      27.861     -30.293      -2.432   4.15 0.143 0.818 0.219 1.836     252.769     300.000       7.246   13 
+    580000      116000.00      34.668     -38.654      -3.986   5.81 0.286 0.556 0.323 1.018     314.522     300.000       7.181   13 
+    590000      118000.00      25.660     -33.546      -7.886   5.12 0.214 0.571 0.292 1.914     232.803     300.000       7.403   13 
+    600000      120000.00      26.241     -33.420      -7.179   4.52 0.357 0.667 0.355 0.846     238.074     300.000       6.688   13 
+    610000      122000.00      30.276     -31.054      -0.778   5.46 0.214 0.750 0.303 1.999     274.681     290.000       6.867   13 
+    620000      124000.00      28.530     -37.536      -9.007   4.84 0.214 0.625 0.256 1.718     258.837     290.000       6.757   13 
+    630000      126000.00      27.194     -39.032     -11.837   5.51 0.214 0.625 0.295 1.317     246.719     290.000       7.041   13 
+    640000      128000.00      29.910     -26.930       2.981   5.68 0.143 0.600 0.200 1.802     271.361     290.000       9.349   13 
+    650000      130000.00      36.897     -27.618       9.279   4.71 0.357 0.500 0.264 1.258     334.748     290.000       7.450   13 
+    660000      132000.00      24.629     -35.569     -10.939   6.86 0.071 0.857 0.214 2.010     223.451     290.000       8.403   13 
+    670000      134000.00      27.665     -29.743      -2.078   7.06 0.286 0.600 0.214 1.057     250.988     290.000       7.749   13 
+    680000      136000.00      20.785     -32.531     -11.746   3.74 0.214 0.727 0.384 1.613     188.569     290.000       6.994   13 
+    690000      138000.00      25.752     -26.200      -0.448   5.79 0.286 0.692 0.336 1.538     233.638     290.000       6.490   13 
+    700000      140000.00      24.453     -31.383      -6.930   4.48 0.286 0.556 0.247 1.031     221.852     290.000       7.568   13 
+    710000      142000.00      26.508     -34.515      -8.007   5.56 0.286 0.667 0.284 1.448     240.493     290.000       6.824   13 
+    720000      144000.00      27.843     -31.877      -4.035   6.02 0.357 0.500 0.264 1.994     252.603     290.000       6.676   13 
+    730000      146000.00      26.062     -28.395      -2.332   3.58 0.286 0.500 0.188 1.639     236.451     290.000       7.606   13 
+    740000      148000.00      24.485     -36.522     -12.037   4.56 0.357 0.667 0.324 1.212     222.138     290.000       6.888   13 
+    750000      150000.00      29.513     -25.129       4.384   5.49 0.214 0.500 0.144 1.778     267.753     290.000       8.876   13 
+    760000      152000.00      33.235     -27.597       5.638   4.76 0.214 0.769 0.276 1.702     301.528     290.000       6.907   13 
+    770000      154000.00      26.533     -27.152      -0.619   4.74 0.143 0.714 0.305 1.820     240.722     290.000       7.740   13 
+    780000      156000.00      29.891     -34.985      -5.095   4.53 0.143 0.818 0.310 0.851     271.185     290.000       7.195   13 
+    790000      158000.00      26.280     -32.303      -6.022   4.79 0.143 0.750 0.227 1.773     238.427     290.000       7.765   13 
+    800000      160000.00      26.348     -29.432      -3.084   5.21 0.286 0.733 0.303 1.882     239.042     290.000       6.742   13 
+    810000      162000.00      29.245     -16.582      12.663   5.31 0.071 0.889 0.308 1.745     265.326     320.000       7.382   13 
+    820000      164000.00      33.268     -16.333      16.935   6.04 0.071 0.857 0.312 1.938     301.821     320.000       8.700   13 
+    830000      166000.00      27.360     -13.636      13.724   5.15 0.000 1.000 0.386 2.462     248.225     320.000       8.217   13 
+    840000      168000.00      32.031     -15.821      16.211   7.26 0.000 1.000 0.355 2.800     290.606     320.000       8.188   13 
+    850000      170000.00      34.659     -20.524      14.135   4.84 0.143 0.667 0.364 2.439     314.445     320.000       8.285   13 
+    860000      172000.00      33.790      -8.464      25.326   6.07 0.000 1.000 0.545 1.983     306.559     320.000       9.422   13 
+    870000      174000.00      36.983       3.839      40.822   8.31 0.000   NaN   NaN 2.651     335.529     320.000      13.314   13 
+    880000      176000.00      31.371      -9.609      21.761   6.25 0.000 1.000 0.227 1.846     284.610     320.000      10.284   13 
+    890000      178000.00      30.565     -19.760      10.805   4.09 0.143 0.667 0.379 1.270     277.300     320.000       7.956   13 
+    900000      180000.00      30.790     -10.666      20.123   4.80 0.143 0.333 0.197 2.161     279.339     320.000       8.630   13 
+    910000      182000.00      34.726     -34.287       0.439   4.84 0.143 0.667 0.265 1.865     315.052     340.000       7.211   13 
+    920000      184000.00      36.523     -14.597      21.925   4.34 0.286 0.000 0.295 1.648     331.355     340.000       7.569   13 
+    930000      186000.00      39.146     -13.765      25.380   4.62 0.143 0.600 0.445 1.472     355.151     340.000       8.861   13 
+    940000      188000.00      32.710     -17.793      14.917   5.09 0.071 0.833 0.364 1.739     296.762     340.000       7.461   13 
+    950000      190000.00      30.342      -4.666      25.675   5.45 0.000   NaN   NaN 2.001     275.275     340.000       9.517   13 
+    960000      192000.00      36.414     -12.371      24.043   5.57 0.071 0.750 0.500 1.368     330.366     340.000       7.489   13 
+    970000      194000.00      29.506       2.291      31.796   7.28 0.000 1.000 0.364 3.049     267.689     340.000      11.222   13 
+    980000      196000.00      32.482     -27.567       4.915   4.48 0.286 0.333 0.447 2.125     294.693     340.000       8.290   13 
+    990000      198000.00      33.234      -0.223      33.011   4.77 0.143 0.600 0.191 1.405     301.520     340.000       7.947   13 
+   1000000      200000.00      41.856      -2.836      39.021   6.52 0.000 1.000 0.606 0.987     379.742     340.000       8.720   13 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB014.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB014.stat
index a136f2b..cb8a517 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB014.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB014.stat
@@ -1,101 +1,101 @@
-         0           0.00      37.138      21.317      58.454  12.87 0.000   NaN   NaN 0.936     336.931     280.000      15.552   14 
-     10000        2000.00      32.175     -26.301       5.874   5.52 0.214 0.500 0.288 2.708     291.906     280.000       8.263   14 
-     20000        4000.00      23.624     -31.515      -7.890   6.51 0.143 0.800 0.350 1.479     214.333     280.000       8.119   14 
-     30000        6000.00      24.063     -33.371      -9.307   4.66 0.286 0.600 0.286 1.167     218.316     280.000       7.703   14 
-     40000        8000.00      28.875     -42.276     -13.401   4.55 0.214 0.500 0.182 1.880     261.971     280.000       7.569   14 
-     50000       10000.00      34.513     -39.919      -5.406   7.35 0.143 0.600 0.155 1.629     313.119     280.000       8.495   14 
-     60000       12000.00      25.590     -56.228     -30.637   5.92 0.214 0.800 0.336 0.948     232.167     280.000       6.483   14 
-     70000       14000.00      28.191     -45.688     -17.498   5.35 0.500 0.533 0.318 1.756     255.762     280.000       6.648   14 
-     80000       16000.00      24.104     -43.572     -19.469   4.92 0.071 0.889 0.354 0.752     218.681     280.000       7.084   14 
-     90000       18000.00      25.822     -51.667     -25.845   4.34 0.357 0.583 0.227 2.205     234.268     280.000       7.064   14 
-    100000       20000.00      26.413     -38.997     -12.584   5.57 0.500 0.500 0.295 0.772     239.631     280.000       6.638   14 
-    110000       22000.00      22.523     -56.095     -33.573   6.34 0.214 0.812 0.307 1.365     204.339     270.000       6.664   14 
-    120000       24000.00      25.004     -36.725     -11.720   5.69 0.357 0.545 0.186 1.327     226.853     270.000       7.868   14 
-    130000       26000.00      28.200     -52.185     -23.985   3.00 0.357 0.667 0.345 1.428     255.842     270.000       6.329   14 
-    140000       28000.00      27.389     -58.668     -31.278   2.71 0.286 0.667 0.288 1.643     248.489     270.000       6.695   14 
-    150000       30000.00      29.497     -52.991     -23.494   2.59 0.714 0.500 0.366 1.624     267.615     270.000       6.162   14 
-    160000       32000.00      33.908     -56.670     -22.762   2.07 0.429 0.500 0.261 1.691     307.630     270.000       6.451   14 
-    170000       34000.00      27.541     -51.370     -23.829   2.19 0.429 0.600 0.300 1.907     249.863     270.000       6.704   14 
-    180000       36000.00      24.831     -44.148     -19.317   2.12 0.357 0.667 0.364 2.044     225.276     270.000       6.716   14 
-    190000       38000.00      29.785     -49.775     -19.990   5.17 0.000 1.000 0.210 1.814     270.220     270.000       8.217   14 
-    200000       40000.00      25.608     -56.144     -30.536   2.08 0.429 0.600 0.318 2.007     232.333     270.000       6.504   14 
-    210000       42000.00      22.162     -45.166     -23.003   2.67 0.500 0.417 0.284 1.445     201.067     270.000       6.608   14 
-    220000       44000.00      27.405     -57.257     -29.852   1.76 0.500 0.500 0.256 0.976     248.632     270.000       7.133   14 
-    230000       46000.00      26.225     -59.459     -33.234   2.76 0.357 0.615 0.315 1.358     237.923     270.000       6.395   14 
-    240000       48000.00      28.210     -47.868     -19.658   6.88 0.214 0.769 0.227 2.017     255.936     270.000       6.931   14 
-    250000       50000.00      24.915     -53.979     -29.065   2.42 0.500 0.462 0.210 1.323     226.040     270.000       6.895   14 
-    260000       52000.00      27.430     -51.773     -24.343   5.86 0.214 0.625 0.188 1.114     248.859     270.000       7.782   14 
-    270000       54000.00      24.837     -48.122     -23.285   5.21 0.143 0.778 0.172 1.646     225.332     270.000       8.511   14 
-    280000       56000.00      25.286     -45.138     -19.852   7.03 0.071 0.900 0.273 1.422     229.411     270.000       6.601   14 
-    290000       58000.00      32.534     -44.831     -12.297   3.01 0.357 0.500 0.186 1.754     295.169     270.000       7.335   14 
-    300000       60000.00      31.296     -53.144     -21.848   2.20 0.500 0.533 0.318 5.096     283.933     270.000       6.958   14 
-    310000       62000.00      27.695     -57.995     -30.300   2.35 0.214 0.769 0.238 1.411     251.262     270.000       6.603   14 
-    320000       64000.00      25.497     -53.671     -28.174   2.70 0.429 0.538 0.276 1.616     231.319     270.000       6.717   14 
-    330000       66000.00      26.363     -54.115     -27.751   6.64 0.286 0.765 0.297 1.642     239.181     270.000       6.343   14 
-    340000       68000.00      25.294     -50.652     -25.358   4.45 0.357 0.643 0.192 2.062     229.483     270.000       7.685   14 
-    350000       70000.00      28.840     -51.973     -23.134   2.86 0.500 0.562 0.256 1.176     261.647     270.000       6.665   14 
-    360000       72000.00      23.569     -47.558     -23.989   2.82 0.429 0.400 0.232 1.072     213.828     270.000       7.073   14 
-    370000       74000.00      25.864     -42.391     -16.527   4.79 0.357 0.444 0.192 1.270     234.648     270.000       8.184   14 
-    380000       76000.00      33.995     -34.973      -0.978   6.35 0.286 0.667 0.197 1.980     308.421     270.000       7.347   14 
-    390000       78000.00      27.092     -48.267     -21.176   7.29 0.214 0.667 0.177 1.918     245.790     270.000       8.635   14 
-    400000       80000.00      21.868     -53.225     -31.358   4.45 0.286 0.692 0.374 1.499     198.394     270.000       6.680   14 
-    410000       82000.00      19.845     -47.433     -27.588   4.31 0.143 0.750 0.256 0.830     180.043     270.000       7.100   14 
-    420000       84000.00      20.925     -52.157     -31.232   4.18 0.429 0.571 0.354 1.575     189.842     270.000       6.641   14 
-    430000       86000.00      30.272     -52.155     -21.883   2.15 0.357 0.615 0.220 1.306     274.642     270.000       7.098   14 
-    440000       88000.00      28.842     -51.602     -22.761   2.75 0.429 0.571 0.221 1.728     261.666     270.000       7.303   14 
-    450000       90000.00      23.657     -53.446     -29.789   1.91 0.429 0.571 0.260 1.349     214.629     270.000       6.684   14 
-    460000       92000.00      23.526     -49.896     -26.370   2.59 0.429 0.600 0.236 1.866     213.443     270.000       6.470   14 
-    470000       94000.00      27.791     -58.320     -30.529   2.26 0.500 0.562 0.247 1.203     252.138     270.000       6.752   14 
-    480000       96000.00      27.667     -49.168     -21.501   3.60 0.429 0.625 0.361 1.701     251.009     270.000       6.418   14 
-    490000       98000.00      24.100     -57.281     -33.181   2.67 0.500 0.562 0.324 1.933     218.645     270.000       6.363   14 
-    500000      100000.00      31.249     -55.712     -24.463   1.96 0.357 0.643 0.276 1.186     283.505     270.000       6.552   14 
-    510000      102000.00      23.555     -57.941     -34.386   1.83 0.429 0.600 0.273 1.286     213.704     250.000       6.612   14 
-    520000      104000.00      32.874     -63.343     -30.469   1.98 0.571 0.500 0.312 2.021     298.250     250.000       6.241   14 
-    530000      106000.00      23.767     -56.324     -32.558   3.11 0.429 0.538 0.178 0.982     215.624     250.000       7.450   14 
-    540000      108000.00      22.385     -67.679     -45.294   2.71 0.357 0.615 0.336 1.645     203.087     250.000       6.141   14 
-    550000      110000.00      26.528     -72.093     -45.564   3.00 0.357 0.667 0.255 0.913     240.680     250.000       6.771   14 
-    560000      112000.00      24.543     -64.205     -39.662   1.89 0.357 0.615 0.360 1.567     222.665     250.000       6.690   14 
-    570000      114000.00      25.699     -67.219     -41.520   2.26 0.500 0.562 0.276 1.587     233.154     250.000       6.562   14 
-    580000      116000.00      25.235     -60.805     -35.570   2.07 0.286 0.556 0.177 1.588     228.949     250.000       7.087   14 
-    590000      118000.00      24.413     -55.440     -31.027   2.95 0.286 0.692 0.252 0.901     221.487     250.000       6.886   14 
-    600000      120000.00      26.071     -62.186     -36.115   2.07 0.714 0.412 0.222 1.655     236.531     250.000       6.681   14 
-    610000      122000.00      28.181     -68.002     -39.821   2.43 0.500 0.417 0.186 1.564     255.673     250.000       6.707   14 
-    620000      124000.00      28.303     -62.003     -33.700   1.65 0.571 0.429 0.295 1.486     256.780     250.000       6.636   14 
-    630000      126000.00      24.544     -67.945     -43.400   3.03 0.500 0.611 0.328 2.690     222.680     250.000       6.272   14 
-    640000      128000.00      19.161     -65.735     -46.574   3.01 0.286 0.714 0.185 1.101     173.840     250.000       6.885   14 
-    650000      130000.00      21.683     -59.135     -37.453   2.46 0.643 0.526 0.220 1.489     196.717     250.000       6.696   14 
-    660000      132000.00      20.718     -65.627     -44.909   5.37 0.357 0.667 0.200 2.273     187.960     250.000       7.419   14 
-    670000      134000.00      23.904     -63.534     -39.630   2.01 0.571 0.500 0.304 2.016     216.867     250.000       6.418   14 
-    680000      136000.00      25.451     -59.853     -34.402   1.93 0.714 0.286 0.211 0.967     230.906     250.000       6.547   14 
-    690000      138000.00      26.980     -66.324     -39.343   2.13 0.286 0.733 0.273 1.138     244.781     250.000       6.500   14 
-    700000      140000.00      22.240     -61.778     -39.539   2.64 0.357 0.643 0.308 1.530     201.771     250.000       6.291   14 
-    710000      142000.00      22.810     -65.291     -42.481   2.05 0.429 0.571 0.263 1.529     206.948     250.000       6.680   14 
-    720000      144000.00      22.126     -63.660     -41.534   2.45 0.429 0.538 0.294 1.602     200.741     250.000       6.553   14 
-    730000      146000.00      23.285     -63.857     -40.572   2.63 0.571 0.556 0.237 1.322     211.255     250.000       6.299   14 
-    740000      148000.00      26.471     -54.874     -28.404   2.77 0.500 0.417 0.258 1.145     240.154     250.000       6.667   14 
-    750000      150000.00      19.172     -62.291     -43.119   3.61 0.286 0.692 0.238 1.921     173.941     250.000       6.736   14 
-    760000      152000.00      26.507     -56.209     -29.702   1.85 0.571 0.467 0.285 1.340     240.486     250.000       6.551   14 
-    770000      154000.00      23.517     -63.664     -40.147   1.97 0.357 0.643 0.269 1.349     213.358     250.000       6.656   14 
-    780000      156000.00      30.439     -58.996     -28.557   1.79 0.571 0.529 0.243 1.865     276.159     250.000       6.681   14 
-    790000      158000.00      18.194     -67.869     -49.674   2.59 0.500 0.533 0.270 1.884     165.068     250.000       6.612   14 
-    800000      160000.00      19.790     -67.254     -47.464   3.36 0.286 0.636 0.194 1.394     179.545     250.000       7.124   14 
-    810000      162000.00      30.362     -59.553     -29.192   1.77 0.571 0.429 0.218 1.543     275.456     260.000       6.919   14 
-    820000      164000.00      21.208     -55.310     -34.102   1.34 0.500 0.364 0.277 1.230     192.409     260.000       6.924   14 
-    830000      166000.00      23.507     -58.811     -35.304   2.23 0.500 0.533 0.258 1.789     213.270     260.000       6.423   14 
-    840000      168000.00      25.238     -53.329     -28.091   1.99 0.571 0.273 0.211 1.035     228.970     260.000       6.793   14 
-    850000      170000.00      26.966     -59.587     -32.621   2.51 0.357 0.615 0.255 1.522     244.650     260.000       6.571   14 
-    860000      172000.00      26.091     -63.295     -37.205   2.19 0.643 0.438 0.301 0.872     236.708     260.000       6.489   14 
-    870000      174000.00      20.287     -62.075     -41.788   1.91 0.429 0.600 0.321 0.910     184.055     260.000       6.425   14 
-    880000      176000.00      30.503     -66.479     -35.976   3.11 0.357 0.583 0.205 0.781     276.739     260.000       6.500   14 
-    890000      178000.00      19.009     -56.595     -37.586   2.74 0.429 0.600 0.318 1.037     172.462     260.000       6.410   14 
-    900000      180000.00      29.229     -62.829     -33.600   2.82 0.571 0.636 0.320 1.597     265.183     260.000       6.336   14 
-    910000      182000.00      25.258     -50.265     -25.007   2.86 0.286 0.692 0.206 1.408     229.158     260.000       6.820   14 
-    920000      184000.00      27.249     -63.414     -36.166   3.13 0.429 0.684 0.323 1.353     247.213     260.000       6.502   14 
-    930000      186000.00      25.428     -53.840     -28.413   5.95 0.357 0.545 0.178 1.806     230.695     260.000       7.721   14 
-    940000      188000.00      27.202     -60.631     -33.429   6.58 0.214 0.800 0.230 2.011     246.789     260.000       6.929   14 
-    950000      190000.00      29.650     -65.800     -36.150   4.83 0.286 0.750 0.227 1.405     268.997     260.000       6.901   14 
-    960000      192000.00      26.255     -57.335     -31.080   7.09 0.214 0.769 0.217 2.320     238.203     260.000       7.186   14 
-    970000      194000.00      24.621     -52.166     -27.545   3.35 0.286 0.636 0.194 1.351     223.374     260.000       7.837   14 
-    980000      196000.00      29.206     -67.294     -38.087   1.98 0.500 0.588 0.275 1.361     264.973     260.000       6.382   14 
-    990000      198000.00      21.096     -60.499     -39.402   2.27 0.500 0.462 0.301 1.099     191.398     260.000       6.769   14 
-   1000000      200000.00      25.478     -57.044     -31.566   4.46 0.357 0.643 0.227 1.269     231.153     260.000       6.854   14 
+         0           0.00      44.247      24.717      68.964  12.87 0.000   NaN   NaN 0.706     401.430     320.000      15.552   14 
+     10000        2000.00      32.347     -11.843      20.504   4.32 0.000   NaN   NaN 3.026     293.465     320.000       8.949   14 
+     20000        4000.00      32.180     -20.070      12.110   4.27 0.071 0.889 0.495 1.801     291.958     320.000       7.065   14 
+     30000        6000.00      28.914     -21.663       7.251   3.97 0.214 0.667 0.202 2.502     262.324     320.000       7.619   14 
+     40000        8000.00      23.869     -17.911       5.958   6.65 0.143 0.714 0.188 2.088     216.550     320.000       9.567   14 
+     50000       10000.00      32.349     -21.259      11.090   7.64 0.286 0.500 0.261 2.591     293.490     320.000      10.683   14 
+     60000       12000.00      32.022     -18.038      13.984   5.90 0.214 0.500 0.174 1.701     290.518     320.000       8.912   14 
+     70000       14000.00      32.322     -15.830      16.492   3.68 0.143 0.778 0.263 1.515     293.243     320.000       7.826   14 
+     80000       16000.00      32.867     -22.500      10.367   4.75 0.143 0.667 0.379 1.561     298.191     320.000       7.964   14 
+     90000       18000.00      35.168     -23.830      11.338   6.34 0.286 0.333 0.167 1.904     319.065     320.000       8.288   14 
+    100000       20000.00      36.253     -16.504      19.750   4.99 0.071 0.750 0.318 1.651     328.907     320.000       8.894   14 
+    110000       22000.00      29.314     -14.253      15.062   4.92 0.143 0.778 0.490 1.314     265.955     310.000       6.730   14 
+    120000       24000.00      30.594     -23.951       6.644   3.98 0.143 0.500 0.352 0.789     277.568     310.000       8.391   14 
+    130000       26000.00      36.828     -15.292      21.535   3.99 0.143 0.667 0.470 2.344     334.119     310.000       8.363   14 
+    140000       28000.00      31.647     -22.655       8.992   4.28 0.071 0.857 0.416 2.043     287.119     310.000       7.533   14 
+    150000       30000.00      25.937     -15.445      10.492   5.30 0.000 1.000 0.227 1.402     235.318     310.000       7.999   14 
+    160000       32000.00      28.184     -24.019       4.164   5.34 0.143 0.714 0.351 1.682     255.696     310.000       7.096   14 
+    170000       34000.00      31.252      -4.858      26.394   7.02 0.000   NaN   NaN 0.982     283.534     310.000       9.212   14 
+    180000       36000.00      27.129     -17.598       9.531   5.65 0.071 0.800 0.327 1.327     246.127     310.000       7.724   14 
+    190000       38000.00      32.788     -22.355      10.433   5.56 0.143 0.667 0.205 2.332     297.466     310.000       7.873   14 
+    200000       40000.00      31.018     -21.600       9.418   5.05 0.071 0.857 0.247 2.508     281.410     310.000       7.370   14 
+    210000       42000.00      41.085     -26.916      14.169   4.79 0.357 0.375 0.182 1.962     372.746     300.000       8.373   14 
+    220000       44000.00      29.499     -33.658      -4.159   3.45 0.214 0.727 0.264 1.650     267.627     300.000       6.832   14 
+    230000       46000.00      19.840     -30.605     -10.765   6.93 0.286 0.556 0.197 3.032     180.001     300.000       7.641   14 
+    240000       48000.00      32.951     -27.605       5.346   5.34 0.214 0.400 0.182 2.231     298.947     300.000       7.756   14 
+    250000       50000.00      28.622     -22.935       5.686   6.50 0.143 0.333 0.152 1.343     259.671     300.000       9.873   14 
+    260000       52000.00      25.287     -36.864     -11.577   2.09 0.357 0.643 0.237 2.653     229.421     300.000       6.892   14 
+    270000       54000.00      29.515     -38.152      -8.637   5.72 0.286 0.636 0.236 2.665     267.776     300.000       9.055   14 
+    280000       56000.00      34.668     -20.998      13.670   8.79 0.429 0.143 0.169 1.810     314.523     300.000      11.464   14 
+    290000       58000.00      27.057     -32.594      -5.536   4.84 0.071 0.889 0.354 1.838     245.477     300.000       7.190   14 
+    300000       60000.00      25.678     -25.327       0.351   6.26 0.143 0.800 0.291 2.165     232.963     300.000       9.010   14 
+    310000       62000.00      33.539     -27.963       5.576   5.23 0.143 0.778 0.288 1.126     304.281     300.000       7.965   14 
+    320000       64000.00      22.224     -38.830     -16.606   3.34 0.143 0.800 0.232 1.854     201.628     300.000       7.741   14 
+    330000       66000.00      26.605     -35.509      -8.904   3.47 0.500 0.562 0.344 1.845     241.374     300.000       6.582   14 
+    340000       68000.00      26.989     -32.680      -5.692   3.78 0.143 0.882 0.332 2.502     244.855     300.000       6.456   14 
+    350000       70000.00      26.846     -22.012       4.833   3.52 0.286 0.600 0.405 2.111     243.557     300.000       7.609   14 
+    360000       72000.00      29.505     -21.590       7.916   2.89 0.214 0.727 0.264 0.998     267.688     300.000       7.526   14 
+    370000       74000.00      26.813     -30.340      -3.527   3.71 0.357 0.444 0.374 2.244     243.263     300.000       6.866   14 
+    380000       76000.00      28.838     -26.397       2.442   4.44 0.143 0.667 0.311 2.678     261.636     300.000       7.693   14 
+    390000       78000.00      22.082     -25.031      -2.949   5.49 0.071 0.929 0.315 1.503     200.339     300.000       6.756   14 
+    400000       80000.00      32.226     -29.150       3.076   5.90 0.071 0.800 0.200 1.317     292.373     300.000       9.023   14 
+    410000       82000.00      29.578     -25.688       3.890   4.14 0.143 0.714 0.409 1.398     268.350     320.000       7.793   14 
+    420000       84000.00      28.249     -23.050       5.200   7.76 0.214 0.250 0.148 1.223     256.294     320.000      11.164   14 
+    430000       86000.00      24.364     -24.404      -0.041   3.40 0.214 0.700 0.423 1.890     221.042     320.000       6.919   14 
+    440000       88000.00      36.195     -18.189      18.006   2.87 0.214 0.250 0.159 2.095     328.378     320.000       7.645   14 
+    450000       90000.00      29.183     -23.095       6.088   4.41 0.357 0.444 0.263 2.720     264.762     320.000       8.222   14 
+    460000       92000.00      29.416     -29.099       0.318   5.42 0.286 0.667 0.322 2.170     266.882     320.000       7.122   14 
+    470000       94000.00      36.149     -13.531      22.618   7.65 0.071 0.667 0.212 0.897     327.966     320.000      10.878   14 
+    480000       96000.00      32.185      -4.348      27.837   7.08 0.143 0.667 0.295 1.518     291.998     320.000       7.880   14 
+    490000       98000.00      32.862     -27.088       5.774   5.18 0.143 0.778 0.323 2.185     298.137     320.000       7.825   14 
+    500000      100000.00      38.239     -26.004      12.235   5.58 0.143 0.750 0.375 1.885     346.922     320.000       7.750   14 
+    510000      102000.00      37.950      -7.975      29.975   4.16 0.071 0.800 0.409 1.087     344.306     310.000       7.520   14 
+    520000      104000.00      31.069      -6.607      24.462   6.17 0.071 0.800 0.218 1.766     281.878     310.000       9.124   14 
+    530000      106000.00      30.049     -31.638      -1.589   3.78 0.214 0.571 0.188 1.557     272.621     310.000       7.404   14 
+    540000      108000.00      30.335     -27.865       2.469   5.79 0.143 0.833 0.311 2.677     275.211     310.000       7.040   14 
+    550000      110000.00      27.092     -27.912      -0.820   6.08 0.286 0.667 0.322 1.544     245.795     310.000       7.112   14 
+    560000      112000.00      32.990     -23.674       9.316   6.17 0.214 0.625 0.216 2.025     299.302     310.000       7.179   14 
+    570000      114000.00      37.751     -21.851      15.900   5.37 0.214 0.571 0.266 4.591     342.497     310.000       7.121   14 
+    580000      116000.00      26.101      -9.533      16.568   6.35 0.071 0.750 0.307 1.409     236.806     310.000       8.306   14 
+    590000      118000.00      30.237     -26.391       3.846   5.56 0.143 0.818 0.269 1.433     274.323     310.000       7.152   14 
+    600000      120000.00      29.703     -15.032      14.671   5.19 0.357 0.615 0.283 1.646     269.478     310.000       6.969   14 
+    610000      122000.00      28.061     -37.828      -9.766   6.58 0.071 0.909 0.331 1.924     254.588     300.000       6.880   14 
+    620000      124000.00      34.765     -42.612      -7.848   5.76 0.286 0.667 0.227 0.857     315.402     300.000       7.567   14 
+    630000      126000.00      32.486     -30.804       1.682   5.86 0.214 0.625 0.188 1.921     294.731     300.000       8.137   14 
+    640000      128000.00      31.115     -23.829       7.286   4.05 0.214 0.571 0.312 2.414     282.294     300.000       7.542   14 
+    650000      130000.00      27.197     -30.294      -3.098   5.33 0.143 0.667 0.348 1.638     246.744     300.000       7.352   14 
+    660000      132000.00      37.057     -33.801       3.256   4.75 0.286 0.636 0.306 1.516     336.200     300.000       7.309   14 
+    670000      134000.00      24.141     -34.577     -10.436   5.11 0.214 0.700 0.391 1.063     219.018     300.000       7.204   14 
+    680000      136000.00      25.990     -35.940      -9.950   5.30 0.214 0.667 0.263 0.853     235.798     300.000       7.180   14 
+    690000      138000.00      31.928     -35.745      -3.816   5.46 0.429 0.400 0.359 1.556     289.671     300.000       7.495   14 
+    700000      140000.00      30.719     -29.566       1.153   4.74 0.214 0.571 0.260 1.231     278.700     300.000       7.335   14 
+    710000      142000.00      31.619     -32.059      -0.440   6.74 0.143 0.818 0.314 0.711     286.866     300.000       6.816   14 
+    720000      144000.00      27.907     -34.017      -6.111   4.59 0.429 0.538 0.290 1.609     253.183     300.000       7.130   14 
+    730000      146000.00      29.992     -31.300      -1.309   6.36 0.286 0.667 0.307 1.559     272.102     300.000       7.071   14 
+    740000      148000.00      32.742     -27.201       5.541   4.81 0.286 0.429 0.208 2.074     297.054     300.000       7.800   14 
+    750000      150000.00      34.648     -42.578      -7.931   5.86 0.214 0.800 0.312 2.430     314.341     300.000       6.565   14 
+    760000      152000.00      28.489     -22.492       5.997   6.02 0.143 0.750 0.273 3.057     258.467     300.000       6.969   14 
+    770000      154000.00      35.410     -34.787       0.623   4.99 0.286 0.556 0.278 1.265     321.256     300.000       7.410   14 
+    780000      156000.00      34.121     -31.558       2.563   4.86 0.214 0.667 0.359 1.431     309.566     300.000       6.837   14 
+    790000      158000.00      26.694     -25.888       0.806   5.85 0.286 0.500 0.176 1.269     242.183     300.000       8.252   14 
+    800000      160000.00      30.310     -33.205      -2.896   3.83 0.143 0.857 0.338 0.769     274.985     300.000       6.682   14 
+    810000      162000.00      28.150     -36.077      -7.927   3.69 0.214 0.750 0.436 1.040     255.395     300.000       6.892   14 
+    820000      164000.00      29.960     -21.243       8.717   5.25 0.071 0.889 0.222 2.656     271.811     300.000       8.251   14 
+    830000      166000.00      33.855     -26.610       7.245   4.80 0.071 0.889 0.409 2.345     307.148     300.000       6.762   14 
+    840000      168000.00      30.614     -19.296      11.318   7.24 0.214 0.571 0.188 1.652     277.749     300.000       8.987   14 
+    850000      170000.00      25.017     -33.648      -8.630   4.16 0.286 0.636 0.343 1.075     226.968     300.000       6.895   14 
+    860000      172000.00      37.545     -36.025       1.520   5.69 0.214 0.800 0.324 2.374     340.630     300.000       6.728   14 
+    870000      174000.00      36.911     -20.565      16.346   3.82 0.143 0.667 0.250 1.071     334.878     300.000       7.462   14 
+    880000      176000.00      25.329     -19.294       6.035   3.46 0.143 0.500 0.182 2.701     229.802     300.000       7.748   14 
+    890000      178000.00      30.224     -29.434       0.791   3.63 0.357 0.444 0.273 3.544     274.209     300.000       7.578   14 
+    900000      180000.00      26.369     -28.264      -1.895   4.27 0.357 0.643 0.305 0.977     239.236     300.000       6.757   14 
+    910000      182000.00      25.896     -35.016      -9.121   5.31 0.357 0.615 0.385 2.293     234.941     300.000       7.089   14 
+    920000      184000.00      34.313     -32.859       1.454   5.60 0.214 0.667 0.273 1.464     311.302     300.000       7.090   14 
+    930000      186000.00      31.758     -36.853      -5.095   5.24 0.286 0.667 0.280 2.007     288.125     300.000       6.853   14 
+    940000      188000.00      35.663     -13.097      22.566   5.12 0.143 0.600 0.273 2.045     323.554     300.000       8.183   14 
+    950000      190000.00      32.344     -31.674       0.670   5.80 0.071 0.889 0.242 2.732     293.440     300.000       7.814   14 
+    960000      192000.00      27.828     -27.016       0.812   3.96 0.429 0.571 0.448 1.924     252.470     300.000       6.902   14 
+    970000      194000.00      36.131     -22.364      13.767   2.77 0.214 0.727 0.442 1.146     327.796     300.000       7.178   14 
+    980000      196000.00      29.444     -25.045       4.398   3.03 0.286 0.667 0.254 0.992     267.127     300.000       6.779   14 
+    990000      198000.00      33.647     -30.076       3.571   3.90 0.214 0.727 0.384 0.910     305.261     300.000       6.845   14 
+   1000000      200000.00      27.668     -20.540       7.128   6.56 0.214 0.571 0.162 2.255     251.017     300.000       7.856   14 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB015.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB015.stat
index 4ded4e5..27d5d13 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB015.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB015.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.148      21.317      51.465  12.87 0.000   NaN   NaN 0.936     273.520     280.000      15.552   15 
-     10000        2000.00      29.325     -48.102     -18.777   4.31 0.357 0.615 0.308 1.363     266.052     280.000       6.825   15 
-     20000        4000.00      29.065     -46.438     -17.373   4.60 0.286 0.714 0.360 2.385     263.696     280.000       6.869   15 
-     30000        6000.00      26.925     -43.841     -16.916   3.76 0.286 0.733 0.282 0.818     244.275     280.000       7.194   15 
-     40000        8000.00      31.105     -34.338      -3.233   3.19 0.286 0.714 0.269 1.688     282.197     280.000       6.861   15 
-     50000       10000.00      23.158     -46.901     -23.743   2.24 0.500 0.611 0.230 1.440     210.101     280.000       6.732   15 
-     60000       12000.00      29.849     -48.398     -18.549   2.93 0.643 0.500 0.328 1.005     270.807     280.000       6.243   15 
-     70000       14000.00      26.269     -58.837     -32.568   3.21 0.429 0.625 0.315 1.696     238.328     280.000       6.495   15 
-     80000       16000.00      28.646     -51.290     -22.644   2.01 0.500 0.632 0.323 1.970     259.889     280.000       6.473   15 
-     90000       18000.00      29.221     -51.165     -21.944   2.87 0.214 0.667 0.202 1.677     265.109     280.000       6.678   15 
-    100000       20000.00      26.192     -49.990     -23.798   2.83 0.286 0.733 0.330 2.128     237.626     280.000       6.284   15 
-    110000       22000.00      30.562     -52.217     -21.655   2.64 0.357 0.667 0.345 0.802     277.272     270.000       6.539   15 
-    120000       24000.00      21.122     -54.475     -33.353   1.71 0.500 0.533 0.294 1.397     191.630     270.000       6.968   15 
-    130000       26000.00      30.683     -48.331     -17.647   3.02 0.500 0.588 0.326 1.579     278.376     270.000       6.416   15 
-    140000       28000.00      27.347     -48.599     -21.252   2.82 0.429 0.455 0.252 1.595     248.111     270.000       6.972   15 
-    150000       30000.00      28.189     -46.266     -18.077   2.03 0.357 0.643 0.305 2.677     255.745     270.000       6.732   15 
-    160000       32000.00      21.150     -62.445     -41.295   1.96 0.714 0.444 0.258 2.071     191.884     270.000       6.555   15 
-    170000       34000.00      34.024     -56.948     -22.924   2.39 0.357 0.722 0.366 1.686     308.684     270.000       6.457   15 
-    180000       36000.00      29.489     -49.556     -20.067   2.87 0.500 0.588 0.366 2.253     267.540     270.000       6.313   15 
-    190000       38000.00      27.863     -46.315     -18.452   3.17 0.286 0.636 0.190 1.715     252.787     270.000       7.491   15 
-    200000       40000.00      24.915     -56.227     -31.312   6.73 0.214 0.786 0.227 1.348     226.037     270.000       7.282   15 
-    210000       42000.00      27.743     -56.603     -28.860   3.38 0.357 0.615 0.276 1.038     251.698     250.000       6.659   15 
-    220000       44000.00      25.994     -64.848     -38.854   2.14 0.643 0.550 0.275 1.355     235.831     250.000       6.553   15 
-    230000       46000.00      28.980     -66.140     -37.160   1.89 0.500 0.533 0.294 2.179     262.925     250.000       6.406   15 
-    240000       48000.00      24.289     -58.171     -33.882   2.48 0.214 0.812 0.264 1.546     220.364     250.000       6.391   15 
-    250000       50000.00      19.289     -65.269     -45.979   2.28 0.429 0.684 0.349 0.942     175.003     250.000       6.174   15 
-    260000       52000.00      25.697     -73.686     -47.989   3.69 0.357 0.737 0.356 1.156     233.140     250.000       6.354   15 
-    270000       54000.00      30.166     -66.407     -36.241   3.93 0.429 0.647 0.243 1.228     273.681     250.000       6.691   15 
-    280000       56000.00      23.752     -61.330     -37.578   2.87 0.286 0.692 0.318 0.623     215.493     250.000       6.593   15 
-    290000       58000.00      24.318     -59.385     -35.067   3.11 0.286 0.750 0.321 2.948     220.626     250.000       6.661   15 
-    300000       60000.00      23.574     -66.343     -42.769   2.88 0.429 0.684 0.328 1.660     213.876     250.000       6.328   15 
-    310000       62000.00      30.121     -50.903     -20.782   3.05 0.286 0.714 0.237 1.667     273.274     250.000       6.829   15 
-    320000       64000.00      33.157     -63.621     -30.464   2.93 0.214 0.786 0.338 1.393     300.816     250.000       6.866   15 
-    330000       66000.00      25.450     -68.752     -43.302   3.47 0.429 0.739 0.275 4.846     230.897     250.000       6.480   15 
-    340000       68000.00      23.948     -71.468     -47.520   3.30 0.357 0.688 0.315 2.138     217.269     250.000       6.247   15 
-    350000       70000.00      28.932     -73.946     -45.015   2.91 0.286 0.714 0.250 1.089     262.482     250.000       6.528   15 
-    360000       72000.00      33.886     -56.586     -22.701   2.44 0.286 0.692 0.262 1.640     307.429     250.000       6.881   15 
-    370000       74000.00      25.182     -57.749     -32.566   3.64 0.357 0.667 0.258 1.533     228.467     250.000       6.649   15 
-    380000       76000.00      22.236     -67.355     -45.120   3.22 0.286 0.765 0.326 1.499     201.732     250.000       6.290   15 
-    390000       78000.00      25.899     -64.494     -38.594   2.38 0.357 0.722 0.328 1.598     234.973     250.000       6.644   15 
-    400000       80000.00      25.293     -68.574     -43.281   2.85 0.429 0.684 0.313 1.823     229.475     250.000       6.556   15 
-    410000       82000.00      25.065     -52.623     -27.557   2.41 0.286 0.714 0.318 1.809     227.407     270.000       6.595   15 
-    420000       84000.00      24.349     -49.882     -25.533   3.59 0.429 0.667 0.301 1.781     220.908     270.000       6.689   15 
-    430000       86000.00      22.876     -63.443     -40.567   2.92 0.429 0.667 0.316 0.787     207.544     270.000       6.590   15 
-    440000       88000.00      30.392     -49.800     -19.408   3.56 0.357 0.643 0.214 2.233     275.731     270.000       6.880   15 
-    450000       90000.00      26.141     -49.092     -22.951   3.13 0.429 0.684 0.318 2.175     237.163     270.000       6.601   15 
-    460000       92000.00      21.331     -52.416     -31.085   5.19 0.286 0.667 0.197 1.333     193.527     270.000       8.338   15 
-    470000       94000.00      25.937     -51.086     -25.149   5.10 0.214 0.750 0.231 1.427     235.313     270.000       7.917   15 
-    480000       96000.00      25.359     -53.100     -27.741   4.52 0.214 0.786 0.214 1.193     230.073     270.000       7.931   15 
-    490000       98000.00      29.610     -53.377     -23.766   2.80 0.500 0.562 0.312 0.689     268.639     270.000       6.187   15 
-    500000      100000.00      25.365     -57.161     -31.796   2.80 0.500 0.611 0.361 1.499     230.128     270.000       6.654   15 
-    510000      102000.00      27.496     -45.015     -17.519   2.92 0.429 0.455 0.260 1.620     249.457     280.000       6.705   15 
-    520000      104000.00      32.305     -43.406     -11.101   3.04 0.429 0.667 0.326 1.729     293.087     280.000       6.510   15 
-    530000      106000.00      23.233     -47.524     -24.291   1.60 0.429 0.625 0.287 1.567     210.783     280.000       6.700   15 
-    540000      108000.00      25.322     -53.330     -28.008   2.89 0.286 0.692 0.322 0.818     229.730     280.000       6.839   15 
-    550000      110000.00      27.194     -47.743     -20.550   2.26 0.500 0.533 0.245 0.886     246.715     280.000       6.826   15 
-    560000      112000.00      25.288     -46.185     -20.896   4.74 0.286 0.714 0.201 2.389     229.430     280.000       7.976   15 
-    570000      114000.00      29.896     -43.276     -13.380   3.50 0.500 0.611 0.306 1.900     271.234     280.000       7.253   15 
-    580000      116000.00      27.664     -49.749     -22.085   4.13 0.286 0.636 0.252 2.126     250.980     280.000       7.283   15 
-    590000      118000.00      30.592     -49.046     -18.455   4.40 0.429 0.625 0.298 1.575     277.545     280.000       7.132   15 
-    600000      120000.00      29.418     -43.958     -14.540   5.17 0.143 0.714 0.338 1.284     266.895     280.000       6.982   15 
-    610000      122000.00      23.056     -49.039     -25.983   3.82 0.429 0.538 0.399 1.333     209.174     280.000       7.256   15 
-    620000      124000.00      21.075     -51.008     -29.933   3.38 0.500 0.462 0.248 0.784     191.202     280.000       6.682   15 
-    630000      126000.00      25.567     -48.496     -22.929   3.47 0.500 0.533 0.330 1.072     231.956     280.000       6.669   15 
-    640000      128000.00      21.960     -43.925     -21.965   3.27 0.357 0.615 0.353 1.534     199.231     280.000       6.625   15 
-    650000      130000.00      30.845     -51.697     -20.852   2.29 0.429 0.667 0.381 1.168     279.844     280.000       6.242   15 
-    660000      132000.00      27.772     -61.288     -33.517   2.75 0.429 0.625 0.290 0.640     251.958     280.000       6.396   15 
-    670000      134000.00      28.064     -44.118     -16.054   2.85 0.357 0.643 0.334 1.695     254.615     280.000       6.835   15 
-    680000      136000.00      26.718     -56.881     -30.163   2.75 0.571 0.600 0.330 1.926     242.400     280.000       6.170   15 
-    690000      138000.00      24.491     -51.231     -26.739   3.29 0.500 0.462 0.269 0.551     222.197     280.000       6.529   15 
-    700000      140000.00      25.291     -47.368     -22.077   2.90 0.357 0.583 0.345 1.302     229.452     280.000       6.951   15 
-    710000      142000.00      33.962     -26.133       7.829   3.79 0.214 0.727 0.347 2.965     308.119     330.000       7.133   15 
-    720000      144000.00      32.560     -29.555       3.006   4.75 0.214 0.700 0.291 0.844     295.405     330.000       7.413   15 
-    730000      146000.00      37.464     -21.971      15.492   4.51 0.071 0.800 0.336 1.160     339.888     330.000       8.177   15 
-    740000      148000.00      31.859     -15.511      16.348   5.10 0.143 0.750 0.227 2.039     289.041     330.000       8.152   15 
-    750000      150000.00      30.776     -16.381      14.395   7.41 0.000 1.000 0.273 2.585     279.217     330.000       9.624   15 
-    760000      152000.00      37.328     -23.733      13.595   5.51 0.143 0.800 0.341 2.147     338.662     330.000       7.532   15 
-    770000      154000.00      38.421     -19.619      18.802   5.90 0.000 1.000 0.337 3.048     348.575     330.000       7.722   15 
-    780000      156000.00      33.454      -9.390      24.064   4.09 0.071 0.500 0.182 1.972     303.514     330.000       8.288   15 
-    790000      158000.00      31.834     -10.014      21.820   6.39 0.000 1.000 0.500 1.159     288.815     330.000       8.216   15 
-    800000      160000.00      42.084     -10.422      31.662   6.58 0.071 0.667 0.227 1.667     381.809     330.000       8.513   15 
-    810000      162000.00      39.889     -18.969      20.920   7.17 0.000 1.000 0.364 2.006     361.897     330.000       7.966   15 
-    820000      164000.00      29.845     -17.120      12.725   4.14 0.214 0.571 0.344 1.751     270.768     330.000       7.333   15 
-    830000      166000.00      46.334     -17.603      28.731   4.87 0.214 0.500 0.326 2.543     420.366     330.000       8.407   15 
-    840000      168000.00      29.527     -22.160       7.367   9.16 0.143 0.714 0.214 2.579     267.884     330.000      11.728   15 
-    850000      170000.00      31.798     -15.468      16.330   8.43 0.000 1.000 0.258 1.270     288.487     330.000      10.859   15 
-    860000      172000.00      34.323     -21.006      13.317   6.09 0.143 0.778 0.419 1.846     311.394     330.000       6.964   15 
-    870000      174000.00      27.042     -15.365      11.677   4.38 0.071 0.833 0.348 2.128     245.340     330.000       7.620   15 
-    880000      176000.00      41.382     -32.502       8.880   5.59 0.214 0.727 0.372 2.656     375.438     330.000       7.073   15 
-    890000      178000.00      24.701     -29.641      -4.940   4.39 0.357 0.444 0.247 2.230     224.102     330.000       7.573   15 
-    900000      180000.00      36.421     -18.326      18.095   6.27 0.000 1.000 0.479 1.021     330.428     330.000       7.219   15 
-    910000      182000.00      28.748     -33.569      -4.821   5.44 0.071 0.875 0.256 0.936     260.818     330.000       6.849   15 
-    920000      184000.00      21.366     -29.442      -8.077   5.48 0.000 1.000 0.318 1.287     193.839     330.000       7.281   15 
-    930000      186000.00      37.908     -28.889       9.019   7.42 0.143 0.818 0.335 1.761     343.920     330.000       7.127   15 
-    940000      188000.00      28.406     -28.378       0.028   6.02 0.071 0.857 0.448 1.566     257.716     330.000       7.518   15 
-    950000      190000.00      27.303      -7.795      19.508   4.85 0.214 0.400 0.264 1.346     247.705     330.000       7.888   15 
-    960000      192000.00      36.718     -20.385      16.333   6.14 0.143 0.778 0.268 1.074     333.122     330.000       7.324   15 
-    970000      194000.00      38.481     -20.553      17.928   5.89 0.286 0.333 0.432 1.093     349.116     330.000       7.672   15 
-    980000      196000.00      41.584     -16.180      25.404   5.83 0.071 0.500 0.205 2.489     377.269     330.000       8.999   15 
-    990000      198000.00      29.752     -25.495       4.257   7.14 0.143 0.600 0.245 2.281     269.925     330.000       9.462   15 
-   1000000      200000.00      32.000     -29.418       2.582   5.98 0.071 0.909 0.351 2.069     290.319     330.000       7.214   15 
+         0           0.00      33.438      24.717      58.156  12.87 0.000   NaN   NaN 0.706     303.370     320.000      15.552   15 
+     10000        2000.00      27.194     -15.189      12.005   5.30 0.071 0.800 0.364 1.025     246.720     320.000       7.343   15 
+     20000        4000.00      21.540     -15.286       6.254   5.39 0.000 1.000 0.391 1.430     195.421     320.000       6.630   15 
+     30000        6000.00      31.852     -27.467       4.386   4.60 0.143 0.667 0.205 1.908     288.981     320.000       7.962   15 
+     40000        8000.00      28.082     -25.133       2.948   6.21 0.214 0.500 0.197 2.714     254.772     320.000       9.806   15 
+     50000       10000.00      32.367     -18.886      13.480   5.10 0.143 0.778 0.263 3.284     293.647     320.000       7.931   15 
+     60000       12000.00      32.896      -8.748      24.149   6.34 0.071 0.833 0.402 2.309     298.451     320.000       6.965   15 
+     70000       14000.00      32.596     -24.249       8.347   4.58 0.071 0.857 0.279 1.544     295.727     320.000       7.354   15 
+     80000       16000.00      31.030      -2.774      28.256   7.78 0.071 0.833 0.189 1.644     281.522     320.000       9.433   15 
+     90000       18000.00      25.053     -24.014       1.039   6.08 0.143 0.778 0.414 1.099     227.295     320.000       6.924   15 
+    100000       20000.00      28.294      -6.845      21.449   5.17 0.071 0.833 0.326 2.060     256.700     320.000       7.450   15 
+    110000       22000.00      37.325     -18.349      18.976   5.94 0.000 1.000 0.328 1.793     338.634     320.000       7.606   15 
+    120000       24000.00      29.827     -12.684      17.143   5.69 0.000 1.000 0.470 1.275     270.602     320.000       9.417   15 
+    130000       26000.00      31.480     -14.187      17.293   5.94 0.214 0.500 0.205 1.664     285.601     320.000       8.859   15 
+    140000       28000.00      31.521      -2.089      29.432   7.47 0.071 0.800 0.227 0.553     285.973     320.000      10.435   15 
+    150000       30000.00      31.165     -12.600      18.565   5.84 0.071 0.667 0.606 2.214     282.745     320.000       8.777   15 
+    160000       32000.00      29.498      -1.118      28.380  10.72 0.071 0.500 0.205 1.470     267.623     320.000      13.876   15 
+    170000       34000.00      33.599     -14.275      19.324   4.98 0.214 0.769 0.420 1.763     304.824     320.000       7.685   15 
+    180000       36000.00      34.950     -21.424      13.526   4.18 0.143 0.857 0.305 2.484     317.085     320.000       7.163   15 
+    190000       38000.00      29.629     -22.357       7.273   4.89 0.143 0.333 0.348 1.532     268.814     320.000       8.192   15 
+    200000       40000.00      26.767     -16.051      10.715   6.04 0.071 0.750 0.307 1.516     242.841     320.000       7.538   15 
+    210000       42000.00      36.193      -7.056      29.137   5.38 0.071 0.800 0.227 1.131     328.362     320.000       8.684   15 
+    220000       44000.00      29.022     -16.514      12.508   6.16 0.000 1.000 0.212 1.517     263.303     320.000       8.492   15 
+    230000       46000.00      32.674     -12.407      20.268   5.57 0.071 0.500 0.318 2.046     296.440     320.000       9.161   15 
+    240000       48000.00      35.565     -21.619      13.946   4.77 0.286 0.000 0.148 1.264     322.661     320.000       9.097   15 
+    250000       50000.00      29.073      -0.749      28.324   6.31 0.000 1.000 0.455 1.053     263.762     320.000       8.189   15 
+    260000       52000.00      29.005      -8.256      20.749   7.33 0.000 1.000 0.345 1.574     263.149     320.000       7.790   15 
+    270000       54000.00      34.031     -11.565      22.466   7.19 0.000 1.000 0.352 1.793     308.746     320.000       8.049   15 
+    280000       56000.00      27.616     -10.863      16.753   6.72 0.071 0.667 0.348 1.164     250.549     320.000       7.357   15 
+    290000       58000.00      35.184     -17.601      17.583   6.59 0.071 0.857 0.312 2.599     319.211     320.000       7.206   15 
+    300000       60000.00      29.687     -39.025      -9.338   4.38 0.429 0.538 0.266 1.258     269.336     320.000       7.429   15 
+    310000       62000.00      29.742     -24.531       5.210   3.55 0.143 0.818 0.355 1.557     269.832     310.000       7.484   15 
+    320000       64000.00      31.256     -30.943       0.313   4.45 0.357 0.286 0.364 4.343     283.574     310.000       7.531   15 
+    330000       66000.00      34.995     -35.685      -0.691   4.52 0.214 0.727 0.202 1.236     317.490     310.000       6.831   15 
+    340000       68000.00      26.275     -32.104      -5.829   4.27 0.143 0.750 0.267 2.296     238.378     310.000       7.974   15 
+    350000       70000.00      27.136     -20.833       6.303   6.45 0.286 0.500 0.182 2.636     246.191     310.000       8.586   15 
+    360000       72000.00      23.370     -21.216       2.154   5.15 0.143 0.750 0.284 1.028     212.027     310.000       6.816   15 
+    370000       74000.00      32.111     -32.221      -0.111   5.01 0.143 0.714 0.318 1.164     291.325     310.000       7.448   15 
+    380000       76000.00      34.295     -20.578      13.717   3.95 0.000 1.000 0.390 1.499     311.140     310.000       7.610   15 
+    390000       78000.00      27.895     -21.625       6.270   4.81 0.071 0.875 0.216 1.590     253.078     310.000       7.523   15 
+    400000       80000.00      24.493     -31.319      -6.825   4.33 0.071 0.909 0.322 1.636     222.216     310.000       6.867   15 
+    410000       82000.00      34.476     -29.884       4.592   8.31 0.071 0.667 0.136 1.151     312.781     300.000      12.041   15 
+    420000       84000.00      30.492     -27.621       2.871   4.75 0.143 0.800 0.414 2.781     276.642     300.000       7.160   15 
+    430000       86000.00      30.253     -30.533      -0.280   5.18 0.214 0.667 0.293 1.691     274.467     300.000       7.411   15 
+    440000       88000.00      28.213     -28.964      -0.751   3.88 0.214 0.700 0.232 1.849     255.961     300.000       7.345   15 
+    450000       90000.00      22.946     -19.842       3.103   4.11 0.143 0.833 0.246 2.333     208.175     300.000       7.198   15 
+    460000       92000.00      34.792     -37.786      -2.994   5.48 0.286 0.556 0.308 2.872     315.655     300.000       7.034   15 
+    470000       94000.00      33.578     -27.639       5.940   5.30 0.286 0.556 0.293 2.078     304.640     300.000       6.759   15 
+    480000       96000.00      25.662     -31.667      -6.005   4.52 0.357 0.643 0.422 1.669     232.818     300.000       6.233   15 
+    490000       98000.00      26.689     -31.880      -5.191   4.54 0.357 0.737 0.368 1.466     242.134     300.000       6.638   15 
+    500000      100000.00      26.360     -28.320      -1.960   8.20 0.214 0.571 0.188 2.188     239.150     300.000       9.790   15 
+    510000      102000.00      25.830     -26.993      -1.163   5.74 0.286 0.692 0.224 3.323     234.339     300.000       7.594   15 
+    520000      104000.00      32.338     -17.813      14.524   4.17 0.214 0.625 0.347 1.324     293.383     300.000       7.979   15 
+    530000      106000.00      26.601     -37.201     -10.600   4.88 0.357 0.500 0.305 3.163     241.335     300.000       7.589   15 
+    540000      108000.00      26.371     -24.249       2.121   4.81 0.214 0.625 0.369 2.898     239.248     300.000       8.286   15 
+    550000      110000.00      34.358     -26.568       7.790   5.26 0.286 0.600 0.377 1.648     311.711     300.000       6.847   15 
+    560000      112000.00      23.799     -24.267      -0.468   4.85 0.286 0.429 0.266 2.309     215.918     300.000       7.404   15 
+    570000      114000.00      35.314     -32.665       2.649   5.36 0.357 0.444 0.212 2.114     320.387     300.000       7.079   15 
+    580000      116000.00      28.897     -38.429      -9.533   5.25 0.214 0.625 0.233 1.834     262.166     300.000       7.370   15 
+    590000      118000.00      33.859     -30.342       3.516   5.85 0.143 0.818 0.289 1.775     307.185     300.000       6.747   15 
+    600000      120000.00      27.681     -38.851     -11.170   5.43 0.071 0.900 0.395 2.447     251.132     300.000       7.269   15 
+    610000      122000.00      26.794     -30.420      -3.626   5.91 0.214 0.625 0.278 1.531     243.089     310.000       6.979   15 
+    620000      124000.00      26.631      -6.929      19.702   7.64 0.143 0.600 0.155 1.905     241.607     310.000      10.441   15 
+    630000      126000.00      37.943     -17.852      20.091   4.93 0.143 0.778 0.485 1.548     344.237     310.000       7.057   15 
+    640000      128000.00      31.100     -13.716      17.384   4.48 0.214 0.571 0.338 1.405     282.155     310.000       8.000   15 
+    650000      130000.00      32.414     -15.161      17.253   5.18 0.071 0.800 0.182 3.078     294.076     310.000       9.092   15 
+    660000      132000.00      20.261     -16.716       3.545   4.88 0.143 0.333 0.409 2.127     183.814     310.000       8.642   15 
+    670000      134000.00      26.441     -27.470      -1.029   4.49 0.286 0.636 0.446 1.736     239.885     310.000       7.499   15 
+    680000      136000.00      31.375     -33.761      -2.386   5.14 0.357 0.545 0.409 0.830     284.651     310.000       7.003   15 
+    690000      138000.00      30.026     -42.545     -12.520   4.33 0.286 0.600 0.286 1.278     272.410     310.000       7.529   15 
+    700000      140000.00      32.658     -28.624       4.034   5.26 0.214 0.769 0.308 2.143     296.289     310.000       7.011   15 
+    710000      142000.00      26.554     -16.774       9.780   5.33 0.071 0.800 0.245 1.502     240.912     300.000       7.329   15 
+    720000      144000.00      34.272     -26.907       7.366   5.16 0.214 0.750 0.352 1.365     310.936     300.000       6.850   15 
+    730000      146000.00      29.200     -19.539       9.662   4.13 0.214 0.571 0.591 2.188     264.920     300.000       7.703   15 
+    740000      148000.00      31.227     -20.674      10.554   4.56 0.214 0.250 0.432 0.822     283.312     300.000       7.950   15 
+    750000      150000.00      32.983     -42.792      -9.809   6.85 0.286 0.667 0.231 1.159     299.237     300.000       7.553   15 
+    760000      152000.00      24.348     -22.965       1.383   5.45 0.143 0.667 0.182 3.483     220.896     300.000       7.903   15 
+    770000      154000.00      28.867     -14.817      14.051   4.91 0.286 0.500 0.403 2.699     261.901     300.000       7.855   15 
+    780000      156000.00      34.815     -29.841       4.974   4.83 0.214 0.700 0.295 4.035     315.859     300.000       7.371   15 
+    790000      158000.00      31.749     -32.546      -0.797   5.48 0.214 0.750 0.288 2.251     288.043     300.000       7.336   15 
+    800000      160000.00      28.394     -31.024      -2.629   5.06 0.143 0.667 0.220 1.687     257.608     300.000       7.129   15 
+    810000      162000.00      22.225     -29.363      -7.138   4.41 0.214 0.625 0.278 2.078     201.635     280.000       6.921   15 
+    820000      164000.00      29.687     -30.633      -0.946   4.89 0.214 0.727 0.240 1.690     269.339     280.000       7.035   15 
+    830000      166000.00      28.547     -32.591      -4.044   5.18 0.286 0.733 0.348 1.584     258.996     280.000       6.493   15 
+    840000      168000.00      28.123     -36.251      -8.128   5.56 0.143 0.833 0.379 1.518     255.149     280.000       6.774   15 
+    850000      170000.00      27.332     -21.123       6.210   5.49 0.143 0.778 0.202 2.085     247.972     280.000       8.979   15 
+    860000      172000.00      33.396     -27.203       6.193   4.76 0.143 0.846 0.465 2.262     302.983     280.000       7.012   15 
+    870000      174000.00      30.505     -43.037     -12.532   4.59 0.357 0.583 0.265 1.318     276.755     280.000       7.436   15 
+    880000      176000.00      29.104     -37.554      -8.450   6.10 0.214 0.750 0.280 2.074     264.045     280.000       7.057   15 
+    890000      178000.00      33.358     -32.612       0.746   2.73 0.286 0.600 0.245 1.398     302.640     280.000       6.932   15 
+    900000      180000.00      28.939     -43.998     -15.059   3.63 0.357 0.667 0.252 1.672     262.546     280.000       6.825   15 
+    910000      182000.00      27.402     -47.086     -19.684   2.38 0.357 0.643 0.282 2.063     248.602     270.000       6.843   15 
+    920000      184000.00      21.514     -44.341     -22.827   2.22 0.357 0.615 0.283 2.306     195.185     270.000       6.870   15 
+    930000      186000.00      22.964     -40.763     -17.799   2.24 0.500 0.462 0.255 1.085     208.344     270.000       7.112   15 
+    940000      188000.00      28.812     -44.002     -15.190   2.43 0.643 0.571 0.329 1.631     261.398     270.000       6.504   15 
+    950000      190000.00      28.262     -55.931     -27.669   2.85 0.214 0.800 0.333 0.730     256.410     270.000       6.955   15 
+    960000      192000.00      31.929     -48.032     -16.103   3.47 0.500 0.650 0.350 0.994     289.676     270.000       6.468   15 
+    970000      194000.00      23.230     -53.572     -30.341   2.70 0.429 0.600 0.218 2.929     210.758     270.000       6.594   15 
+    980000      196000.00      26.373     -43.881     -17.508   2.27 0.286 0.692 0.315 1.259     239.270     270.000       6.680   15 
+    990000      198000.00      26.984     -42.362     -15.379   4.53 0.357 0.643 0.289 1.734     244.810     270.000       6.779   15 
+   1000000      200000.00      23.638     -36.437     -12.799   5.71 0.357 0.615 0.311 1.482     214.454     270.000       6.688   15 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB016.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB016.stat
index bf87b1b..2d5e6f5 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB016.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB016.stat
@@ -1,101 +1,101 @@
-         0           0.00      29.689      21.268      50.957  12.87 0.000   NaN   NaN 0.936     269.356     290.000      15.552   16 
-     10000        2000.00      25.785     -39.480     -13.695   5.78 0.143 0.778 0.399 1.835     233.934     290.000       7.554   16 
-     20000        4000.00      34.171     -48.827     -14.655   3.77 0.357 0.688 0.420 1.764     310.018     290.000       6.380   16 
-     30000        6000.00      35.678     -41.987      -6.310   2.26 0.500 0.462 0.227 1.586     323.685     290.000       6.568   16 
-     40000        8000.00      27.830     -47.152     -19.322   2.70 0.286 0.636 0.310 2.459     252.490     290.000       6.498   16 
-     50000       10000.00      25.580     -41.312     -15.733   3.08 0.357 0.667 0.342 1.769     232.072     290.000       7.164   16 
-     60000       12000.00      27.008     -40.595     -13.587   6.29 0.500 0.500 0.188 1.647     245.026     290.000       8.279   16 
-     70000       14000.00      33.082     -29.984       3.097   4.69 0.071 0.833 0.227 1.101     300.133     290.000       7.222   16 
-     80000       16000.00      22.372     -45.061     -22.689   4.04 0.286 0.636 0.322 2.115     202.970     290.000       6.925   16 
-     90000       18000.00      31.718     -37.302      -5.583   4.37 0.357 0.615 0.276 0.981     287.765     290.000       7.270   16 
-    100000       20000.00      21.410     -42.370     -20.960   3.41 0.143 0.818 0.289 2.136     194.245     290.000       7.733   16 
-    110000       22000.00      23.887     -45.102     -21.215   5.44 0.286 0.600 0.259 0.729     216.716     280.000       7.333   16 
-    120000       24000.00      23.533     -39.193     -15.660   5.36 0.071 0.875 0.284 1.400     213.504     280.000       8.277   16 
-    130000       26000.00      26.879     -38.127     -11.249   4.46 0.143 0.750 0.193 1.076     243.857     280.000       7.813   16 
-    140000       28000.00      35.960     -30.758       5.202   4.99 0.214 0.625 0.216 2.406     326.250     280.000       8.595   16 
-    150000       30000.00      25.051     -48.298     -23.247   6.42 0.429 0.684 0.354 1.868     227.276     280.000       6.440   16 
-    160000       32000.00      26.487     -35.706      -9.218   6.06 0.286 0.429 0.279 1.754     240.305     280.000       6.744   16 
-    170000       34000.00      27.145     -47.004     -19.859   4.91 0.143 0.778 0.247 0.938     246.273     280.000       7.887   16 
-    180000       36000.00      27.232     -48.376     -21.144   7.02 0.214 0.800 0.279 1.194     247.066     280.000       6.508   16 
-    190000       38000.00      25.768     -40.488     -14.720   6.10 0.143 0.800 0.191 1.970     233.785     280.000       8.159   16 
-    200000       40000.00      24.890     -62.758     -37.868   6.82 0.286 0.750 0.278 1.338     225.815     280.000       6.474   16 
-    210000       42000.00      26.752     -57.829     -31.077   5.80 0.143 0.846 0.346 1.124     242.705     270.000       6.753   16 
-    220000       44000.00      21.823     -55.196     -33.373   4.04 0.429 0.625 0.276 1.261     197.992     270.000       6.708   16 
-    230000       46000.00      28.084     -41.582     -13.498   4.03 0.357 0.583 0.367 1.755     254.792     270.000       7.387   16 
-    240000       48000.00      25.883     -42.875     -16.992   3.50 0.286 0.556 0.217 2.133     234.824     270.000       7.832   16 
-    250000       50000.00      25.426     -51.777     -26.351   2.51 0.500 0.611 0.298 1.365     230.678     270.000       6.654   16 
-    260000       52000.00      29.379     -52.217     -22.838   2.93 0.500 0.632 0.301 1.134     266.541     270.000       6.732   16 
-    270000       54000.00      30.117     -53.194     -23.077   4.11 0.214 0.786 0.338 2.115     273.233     270.000       7.433   16 
-    280000       56000.00      26.435     -55.935     -29.500   3.79 0.357 0.688 0.395 2.094     239.832     270.000       6.988   16 
-    290000       58000.00      25.271     -49.439     -24.169   3.20 0.286 0.636 0.252 2.421     229.268     270.000       6.913   16 
-    300000       60000.00      18.746     -46.088     -27.342   2.71 0.357 0.583 0.239 1.860     170.077     270.000       6.783   16 
-    310000       62000.00      29.762     -52.477     -22.715   2.35 0.214 0.750 0.273 1.863     270.019     270.000       7.095   16 
-    320000       64000.00      29.508     -44.284     -14.776   7.17 0.429 0.538 0.259 2.040     267.714     270.000       6.388   16 
-    330000       66000.00      29.046     -41.807     -12.761   5.60 0.214 0.667 0.187 3.307     263.519     270.000       7.292   16 
-    340000       68000.00      24.179     -52.190     -28.011   2.84 0.214 0.800 0.294 0.982     219.369     270.000       6.919   16 
-    350000       70000.00      27.613     -40.568     -12.956   5.08 0.286 0.714 0.263 2.003     250.515     270.000       6.364   16 
-    360000       72000.00      29.042     -52.335     -23.293   3.52 0.143 0.800 0.191 3.205     263.485     270.000       7.336   16 
-    370000       74000.00      27.405     -50.070     -22.665   3.66 0.214 0.750 0.208 1.403     248.637     270.000       7.313   16 
-    380000       76000.00      23.949     -53.924     -29.976   3.82 0.214 0.700 0.186 1.677     217.275     270.000       6.709   16 
-    390000       78000.00      26.590     -51.804     -25.214   4.36 0.143 0.800 0.200 0.898     241.240     270.000       7.221   16 
-    400000       80000.00      31.422     -54.145     -22.723   4.31 0.500 0.588 0.243 1.566     285.077     270.000       6.717   16 
-    410000       82000.00      26.281     -57.907     -31.626   3.40 0.286 0.714 0.208 1.040     238.434     260.000       6.888   16 
-    420000       84000.00      24.629     -63.839     -39.210   3.26 0.286 0.636 0.269 1.225     223.449     260.000       6.668   16 
-    430000       86000.00      29.460     -65.759     -36.300   3.36 0.214 0.750 0.303 1.934     267.272     260.000       6.674   16 
-    440000       88000.00      22.663     -63.022     -40.358   3.57 0.286 0.733 0.239 1.988     205.614     260.000       6.902   16 
-    450000       90000.00      22.804     -54.257     -31.453   3.27 0.429 0.571 0.205 1.290     206.888     260.000       6.770   16 
-    460000       92000.00      27.410     -54.876     -27.466   3.32 0.143 0.846 0.241 1.589     248.674     260.000       6.447   16 
-    470000       94000.00      26.811     -64.939     -38.129   3.37 0.357 0.667 0.182 1.956     243.240     260.000       6.789   16 
-    480000       96000.00      24.628     -61.696     -37.068   3.12 0.286 0.667 0.197 0.968     223.437     260.000       6.958   16 
-    490000       98000.00      23.292     -59.237     -35.945   3.40 0.429 0.684 0.333 2.082     211.315     260.000       6.422   16 
-    500000      100000.00      26.089     -60.956     -34.868   3.17 0.143 0.833 0.201 1.454     236.692     260.000       6.917   16 
-    510000      102000.00      24.735     -74.295     -49.560   3.12 0.214 0.786 0.295 0.896     224.406     250.000       6.501   16 
-    520000      104000.00      18.910     -66.165     -47.255   3.29 0.357 0.643 0.214 1.192     171.561     250.000       6.740   16 
-    530000      106000.00      22.005     -73.299     -51.294   4.37 0.214 0.800 0.242 1.185     199.641     250.000       6.663   16 
-    540000      108000.00      26.786     -73.060     -46.275   4.58 0.143 0.875 0.281 1.240     243.013     250.000       6.688   16 
-    550000      110000.00      21.079     -59.517     -38.439   4.69 0.286 0.714 0.214 1.239     191.236     250.000       6.920   16 
-    560000      112000.00      25.856     -65.680     -39.823   4.13 0.143 0.833 0.254 0.929     234.580     250.000       6.730   16 
-    570000      114000.00      22.830     -59.411     -36.581   4.53 0.143 0.882 0.238 1.835     207.126     250.000       6.913   16 
-    580000      116000.00      24.015     -60.109     -36.094   4.08 0.286 0.692 0.231 1.257     217.880     250.000       7.053   16 
-    590000      118000.00      22.650     -62.096     -39.446   4.54 0.143 0.875 0.256 1.370     205.495     250.000       6.865   16 
-    600000      120000.00      21.618     -61.846     -40.228   4.21 0.143 0.818 0.236 1.490     196.133     250.000       6.963   16 
-    610000      122000.00      25.344     -63.743     -38.399   4.44 0.214 0.800 0.245 1.399     229.933     250.000       6.891   16 
-    620000      124000.00      18.251     -69.484     -51.233   4.47 0.143 0.833 0.235 0.925     165.581     250.000       6.865   16 
-    630000      126000.00      27.403     -55.402     -28.000   4.37 0.214 0.769 0.220 1.416     248.612     250.000       6.878   16 
-    640000      128000.00      26.194     -65.473     -39.279   4.30 0.214 0.842 0.256 1.431     237.642     250.000       6.566   16 
-    650000      130000.00      22.122     -66.926     -44.804   4.14 0.286 0.778 0.242 1.887     200.698     250.000       7.007   16 
-    660000      132000.00      28.414     -65.259     -36.845   4.54 0.143 0.857 0.234 1.496     257.789     250.000       6.965   16 
-    670000      134000.00      24.553     -71.544     -46.992   4.37 0.214 0.800 0.233 1.406     222.754     250.000       6.636   16 
-    680000      136000.00      31.300     -60.000     -28.701   4.59 0.286 0.714 0.250 2.002     283.965     250.000       6.544   16 
-    690000      138000.00      24.105     -69.771     -45.667   4.45 0.214 0.824 0.267 3.155     218.692     250.000       6.613   16 
-    700000      140000.00      23.509     -67.911     -44.402   4.24 0.143 0.857 0.224 1.173     213.289     250.000       6.836   16 
-    710000      142000.00      28.251     -62.449     -34.198   4.30 0.143 0.833 0.261 2.693     256.305     250.000       6.625   16 
-    720000      144000.00      24.518     -67.872     -43.354   4.39 0.143 0.867 0.279 1.211     222.441     250.000       6.620   16 
-    730000      146000.00      28.743     -68.846     -40.103   4.86 0.214 0.769 0.196 1.238     260.769     250.000       6.860   16 
-    740000      148000.00      26.693     -73.558     -46.865   4.04 0.143 0.857 0.253 2.558     242.170     250.000       6.480   16 
-    750000      150000.00      23.647     -73.588     -49.941   3.32 0.286 0.636 0.211 1.286     214.537     250.000       6.623   16 
-    760000      152000.00      21.840     -72.415     -50.575   3.13 0.214 0.769 0.192 1.545     198.140     250.000       6.681   16 
-    770000      154000.00      25.341     -59.546     -34.204   3.24 0.286 0.692 0.241 2.209     229.909     250.000       6.549   16 
-    780000      156000.00      27.487     -58.076     -30.589   3.57 0.286 0.667 0.212 1.667     249.380     250.000       6.693   16 
-    790000      158000.00      28.987     -68.425     -39.438   4.18 0.357 0.500 0.177 1.196     262.986     250.000       6.943   16 
-    800000      160000.00      26.700     -71.432     -44.732   3.40 0.357 0.722 0.298 1.765     242.234     250.000       6.320   16 
-    810000      162000.00      24.011     -68.867     -44.856   3.29 0.286 0.667 0.227 1.843     217.838     250.000       6.847   16 
-    820000      164000.00      23.676     -66.837     -43.161   3.16 0.357 0.722 0.265 1.854     214.800     250.000       6.457   16 
-    830000      166000.00      30.239     -70.408     -40.169   3.15 0.571 0.529 0.273 1.845     274.343     250.000       6.717   16 
-    840000      168000.00      25.560     -58.893     -33.333   3.38 0.357 0.643 0.224 2.410     231.893     250.000       6.685   16 
-    850000      170000.00      27.096     -78.651     -51.555   3.28 0.286 0.750 0.241 1.526     245.829     250.000       6.404   16 
-    860000      172000.00      26.986     -66.668     -39.681   3.19 0.429 0.647 0.299 1.937     244.833     250.000       6.267   16 
-    870000      174000.00      25.591     -72.717     -47.126   3.25 0.429 0.647 0.281 0.866     232.178     250.000       6.517   16 
-    880000      176000.00      27.133     -76.597     -49.464   3.37 0.357 0.750 0.357 2.773     246.164     250.000       6.340   16 
-    890000      178000.00      20.774     -71.885     -51.111   3.33 0.571 0.636 0.331 1.017     188.474     250.000       6.346   16 
-    900000      180000.00      28.804     -74.854     -46.051   3.27 0.571 0.600 0.248 1.236     261.321     250.000       6.519   16 
-    910000      182000.00      24.413     -73.542     -49.130   3.37 0.357 0.667 0.212 1.191     221.484     250.000       6.514   16 
-    920000      184000.00      27.294     -72.503     -45.209   3.33 0.357 0.667 0.209 1.179     247.623     250.000       6.590   16 
-    930000      186000.00      24.611     -65.560     -40.949   3.50 0.286 0.789 0.270 1.710     223.281     250.000       6.551   16 
-    940000      188000.00      23.645     -62.138     -38.493   3.71 0.286 0.692 0.273 2.311     214.522     250.000       6.402   16 
-    950000      190000.00      24.415     -68.585     -44.169   3.57 0.286 0.765 0.251 1.098     221.509     250.000       6.500   16 
-    960000      192000.00      34.322     -70.232     -35.910   3.55 0.214 0.750 0.246 2.145     311.391     250.000       6.579   16 
-    970000      194000.00      23.021     -71.758     -48.737   3.09 0.571 0.556 0.275 1.029     208.854     250.000       6.522   16 
-    980000      196000.00      23.508     -70.843     -47.335   3.30 0.286 0.636 0.207 1.748     213.273     250.000       6.760   16 
-    990000      198000.00      24.858     -59.331     -34.473   3.24 0.571 0.500 0.267 1.049     225.522     250.000       6.650   16 
-   1000000      200000.00      27.547     -66.027     -38.480   3.42 0.357 0.615 0.290 1.675     249.918     250.000       6.550   16 
+         0           0.00      42.286      24.668      66.954  12.87 0.000   NaN   NaN 0.706     383.638     330.000      15.552   16 
+     10000        2000.00      33.995     -14.556      19.439   5.94 0.000 1.000 0.432 2.923     308.416     330.000       8.933   16 
+     20000        4000.00      27.910     -16.636      11.274   5.36 0.143 0.500 0.193 2.111     253.215     330.000       7.536   16 
+     30000        6000.00      32.844     -11.769      21.074  10.17 0.000 1.000 0.250 2.833     297.974     330.000      13.682   16 
+     40000        8000.00      33.879      -7.497      26.382   6.63 0.071 0.875 0.312 1.488     307.369     330.000       9.292   16 
+     50000       10000.00      36.704     -15.580      21.124   7.90 0.071 0.750 0.216 0.671     333.001     330.000      10.562   16 
+     60000       12000.00      36.977     -17.335      19.642   4.59 0.214 0.571 0.195 2.195     335.472     330.000       8.051   16 
+     70000       14000.00      24.479     -10.256      14.223   7.24 0.214 0.400 0.200 1.722     222.090     330.000       9.088   16 
+     80000       16000.00      32.518     -20.471      12.046   3.95 0.214 0.500 0.409 1.547     295.016     330.000       7.682   16 
+     90000       18000.00      29.159     -11.765      17.395   6.20 0.071 0.800 0.255 2.056     264.549     330.000       7.688   16 
+    100000       20000.00      29.393      -1.043      28.350   6.36 0.071 0.000 0.136 1.894     266.669     330.000      11.566   16 
+    110000       22000.00      40.318       0.577      40.895   9.13 0.000   NaN   NaN 1.130     365.789     390.000      11.691   16 
+    120000       24000.00      40.900       2.941      43.840   8.39 0.000 1.000 0.182 0.335     371.063     390.000      12.437   16 
+    130000       26000.00      46.549       4.849      51.398   8.95 0.000   NaN   NaN 2.121     422.319     390.000      12.891   16 
+    140000       28000.00      50.539      -8.812      41.728   4.80 0.071 0.750 0.364 2.232     458.519     390.000       8.653   16 
+    150000       30000.00      42.215       7.145      49.361   5.93 0.214 0.400 0.218 2.476     382.998     390.000       8.358   16 
+    160000       32000.00      32.637       2.953      35.590   5.00 0.071 0.667 0.394 2.055     296.100     390.000       8.851   16 
+    170000       34000.00      44.463       3.248      47.712   5.05 0.071 0.667 0.333 1.983     403.395     390.000       9.565   16 
+    180000       36000.00      52.370     -10.680      41.690   7.63 0.143 0.000 0.159 1.855     475.125     390.000      10.959   16 
+    190000       38000.00      34.329       5.898      40.227   8.74 0.000   NaN   NaN 2.530     311.453     390.000      13.166   16 
+    200000       40000.00      46.416      -0.437      45.979   8.38 0.071 0.500 0.159 0.967     421.110     390.000      10.974   16 
+    210000       42000.00      36.507      -3.343      33.164  12.63 0.000   NaN   NaN 3.810     331.209     370.000      16.160   16 
+    220000       44000.00      44.366      -1.684      42.682   9.47 0.000   NaN   NaN 1.039     402.511     370.000      13.931   16 
+    230000       46000.00      35.581      -1.111      34.471   7.85 0.071 0.500 0.205 3.628     322.812     370.000      10.181   16 
+    240000       48000.00      35.981      -6.322      29.660  12.55 0.000   NaN   NaN 2.378     326.440     370.000      16.210   16 
+    250000       50000.00      40.951      -1.212      39.740   6.87 0.143 0.333 0.227 2.520     371.533     370.000       9.910   16 
+    260000       52000.00      43.895       5.202      49.097   5.68 0.000 1.000 0.330 3.343     398.238     370.000       8.029   16 
+    270000       54000.00      38.274      -6.422      31.852  10.64 0.000   NaN   NaN 1.208     347.242     370.000      13.901   16 
+    280000       56000.00      30.822     -13.843      16.979   4.67 0.071 0.750 0.307 3.735     279.633     370.000       8.891   16 
+    290000       58000.00      39.314      11.522      50.836   8.58 0.000 1.000 0.318 2.985     356.681     370.000      10.872   16 
+    300000       60000.00      38.829       0.047      38.876   5.13 0.071 0.500 0.159 1.305     352.276     370.000       9.883   16 
+    310000       62000.00      39.142       1.051      40.192   8.36 0.071 0.667 0.212 1.439     355.115     360.000      10.849   16 
+    320000       64000.00      39.334      -3.921      35.413   7.64 0.071 0.500 0.205 2.762     356.857     360.000      10.705   16 
+    330000       66000.00      40.532       0.105      40.638   7.28 0.000 1.000 0.295 1.264     367.731     360.000       9.668   16 
+    340000       68000.00      32.940       2.577      35.517   5.43 0.071 0.750 0.432 2.444     298.844     360.000       8.920   16 
+    350000       70000.00      37.399      -3.803      33.596   4.16 0.071 0.667 0.318 1.648     339.302     360.000       7.974   16 
+    360000       72000.00      37.185       5.504      42.690   8.04 0.143 0.333 0.167 1.854     337.365     360.000      12.172   16 
+    370000       74000.00      34.281     -16.503      17.778  10.31 0.000   NaN   NaN 1.457     311.011     360.000      14.144   16 
+    380000       76000.00      34.803      -5.412      29.392   6.25 0.143 0.714 0.247 2.247     315.754     360.000       8.800   16 
+    390000       78000.00      47.736      -5.222      42.514   7.73 0.000 1.000 0.364 1.471     433.083     360.000      10.839   16 
+    400000       80000.00      39.054      -0.914      38.139   6.74 0.000 1.000 0.136 2.009     354.314     360.000      11.295   16 
+    410000       82000.00      45.196      -0.932      44.263   9.09 0.000 1.000 0.250 1.986     410.038     360.000      11.577   16 
+    420000       84000.00      31.950      -1.968      29.982  10.13 0.000   NaN   NaN 2.067     289.864     360.000      12.759   16 
+    430000       86000.00      32.667      -4.847      27.820   7.43 0.071 0.800 0.300 1.746     296.375     360.000       7.914   16 
+    440000       88000.00      30.883      -5.877      25.006   5.17 0.000 1.000 0.591 2.663     280.185     360.000       8.959   16 
+    450000       90000.00      32.429       3.297      35.725   4.63 0.000 1.000 0.364 2.295     294.208     360.000       8.832   16 
+    460000       92000.00      27.317     -16.367      10.949   4.79 0.071 0.875 0.267 1.707     247.830     360.000       8.877   16 
+    470000       94000.00      41.880       6.515      48.395   6.57 0.000   NaN   NaN 1.616     379.959     360.000      10.731   16 
+    480000       96000.00      42.935     -10.629      32.306   4.71 0.000 1.000 0.333 2.827     389.530     360.000       8.153   16 
+    490000       98000.00      35.763       1.166      36.929   5.67 0.071 0.800 0.555 1.825     324.457     360.000       8.306   16 
+    500000      100000.00      35.181       7.670      42.852   6.99 0.000 1.000 0.242 1.847     319.182     360.000       9.716   16 
+    510000      102000.00      36.611      -4.632      31.979   4.90 0.000   NaN   NaN 2.022     332.154     400.000       8.442   16 
+    520000      104000.00      37.679      -5.540      32.139   8.44 0.000   NaN   NaN 2.469     341.847     400.000      13.639   16 
+    530000      106000.00      40.914      10.005      50.919   9.06 0.000 1.000 0.227 2.667     371.193     400.000      11.383   16 
+    540000      108000.00      40.984     -10.265      30.719   5.93 0.214 0.500 0.205 1.820     371.826     400.000       8.687   16 
+    550000      110000.00      33.316      -4.084      29.233   6.77 0.000   NaN   NaN 1.228     302.262     400.000       9.704   16 
+    560000      112000.00      38.797      -0.949      37.848   7.43 0.143 0.000 0.159 1.573     351.982     400.000      10.308   16 
+    570000      114000.00      45.005      -7.737      37.268   8.13 0.000 1.000 0.295 1.268     408.312     400.000      11.657   16 
+    580000      116000.00      37.538       9.984      47.521   5.34 0.000   NaN   NaN 2.901     340.561     400.000      10.472   16 
+    590000      118000.00      32.073       9.457      41.530   6.39 0.000   NaN   NaN 1.511     290.983     400.000       8.870   16 
+    600000      120000.00      47.123      -4.736      42.387   7.98 0.000 1.000 0.182 1.743     427.526     400.000      12.324   16 
+    610000      122000.00      38.768       2.524      41.293   7.65 0.000   NaN   NaN 2.596     351.726     400.000      11.759   16 
+    620000      124000.00      32.499      -4.593      27.906   6.15 0.000 1.000 0.333 1.334     294.849     400.000       8.315   16 
+    630000      126000.00      43.860      16.636      60.496   8.94 0.071 0.000 0.136 2.211     397.920     400.000      13.743   16 
+    640000      128000.00      41.495      -8.790      32.705   8.06 0.000 1.000 0.212 1.396     376.466     400.000      11.252   16 
+    650000      130000.00      33.389       7.099      40.488   5.62 0.000 1.000 0.182 1.374     302.924     400.000       9.655   16 
+    660000      132000.00      39.886      -0.081      39.805   6.14 0.071 0.800 0.300 3.035     361.871     400.000       9.428   16 
+    670000      134000.00      34.070       9.590      43.659   8.51 0.000 1.000 0.159 2.974     309.097     400.000      11.228   16 
+    680000      136000.00      45.628       3.490      49.117   6.56 0.000   NaN   NaN 2.212     413.957     400.000      10.575   16 
+    690000      138000.00      30.413       3.786      34.199   4.92 0.071 0.000 0.136 2.442     275.922     400.000       8.162   16 
+    700000      140000.00      41.812       1.781      43.593   5.19 0.000 1.000 0.335 1.280     379.338     400.000       7.034   16 
+    710000      142000.00      42.262      -1.613      40.649   6.59 0.000 1.000 0.239 1.313     383.422     390.000       7.876   16 
+    720000      144000.00      36.081       9.663      45.744  10.62 0.071 0.000 0.136 4.552     327.347     390.000      13.929   16 
+    730000      146000.00      32.327      -0.990      31.336  11.26 0.071 0.500 0.159 2.297     293.283     390.000      14.673   16 
+    740000      148000.00      35.513       5.801      41.314   7.48 0.000   NaN   NaN 2.495     322.195     390.000      10.625   16 
+    750000      150000.00      38.443       6.076      44.519  10.71 0.000   NaN   NaN 1.503     348.771     390.000      14.455   16 
+    760000      152000.00      40.732      -4.829      35.903   7.25 0.000 1.000 0.318 2.097     369.542     390.000       8.575   16 
+    770000      154000.00      36.939       4.652      41.592   8.38 0.000   NaN   NaN 1.480     335.132     390.000      13.031   16 
+    780000      156000.00      40.897       3.110      44.007   4.83 0.000 1.000 0.409 1.379     371.035     390.000       9.349   16 
+    790000      158000.00      43.859      22.309      66.167  10.28 0.000 1.000 0.136 1.829     397.909     390.000      13.691   16 
+    800000      160000.00      32.466       5.460      37.926   9.19 0.071 0.000 0.136 1.105     294.547     390.000      12.743   16 
+    810000      162000.00      29.180       2.835      32.015   9.71 0.000 1.000 0.273 1.541     264.735     370.000      12.759   16 
+    820000      164000.00      40.259       1.188      41.447   6.53 0.000   NaN   NaN 1.673     365.251     370.000       9.596   16 
+    830000      166000.00      36.748     -13.275      23.473   5.17 0.143 0.333 0.500 1.775     333.401     370.000       7.706   16 
+    840000      168000.00      40.758      -8.663      32.095   6.17 0.071 0.500 0.182 1.185     369.775     370.000       9.253   16 
+    850000      170000.00      31.251      -3.629      27.622   6.08 0.000 1.000 0.500 2.524     283.527     370.000       7.421   16 
+    860000      172000.00      41.786      -8.225      33.561   6.62 0.000   NaN   NaN 1.921     379.104     370.000      10.311   16 
+    870000      174000.00      34.630       1.419      36.049   8.46 0.071 0.000 0.136 1.917     314.180     370.000      12.369   16 
+    880000      176000.00      37.090      -1.233      35.856   5.51 0.000   NaN   NaN 0.937     336.497     370.000       9.816   16 
+    890000      178000.00      32.385       5.788      38.173   4.32 0.214 0.000 0.364 2.918     293.813     370.000       8.759   16 
+    900000      180000.00      44.920     -14.119      30.801   5.21 0.143 0.714 0.357 2.451     407.539     370.000       8.419   16 
+    910000      182000.00      35.327       1.274      36.601   5.79 0.000 1.000 0.818 1.357     320.506     360.000       7.738   16 
+    920000      184000.00      26.741     -12.879      13.863   5.71 0.214 0.667 0.293 1.753     242.612     360.000       7.480   16 
+    930000      186000.00      40.362      -4.594      35.768   8.37 0.000   NaN   NaN 2.304     366.184     360.000      10.438   16 
+    940000      188000.00      26.357      -9.499      16.858   5.32 0.071 0.000 0.727 1.552     239.122     360.000       9.044   16 
+    950000      190000.00      32.788       0.090      32.878   5.14 0.000 1.000 0.136 1.403     297.469     360.000       9.332   16 
+    960000      192000.00      41.852     -12.510      29.341   6.34 0.071 0.833 0.182 1.508     379.702     360.000       8.779   16 
+    970000      194000.00      47.878      -2.420      45.457   5.29 0.071 0.750 0.489 2.033     434.371     360.000       8.586   16 
+    980000      196000.00      34.133       7.665      41.798   7.09 0.000 1.000 0.273 2.093     309.669     360.000       8.967   16 
+    990000      198000.00      45.150      -7.899      37.251   7.12 0.143 0.714 0.221 2.919     409.623     360.000       7.863   16 
+   1000000      200000.00      40.133     -10.104      30.030  10.49 0.071 0.000 0.136 1.462     364.110     360.000      13.937   16 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB017.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB017.stat
index ee729e8..06413b7 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB017.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB017.stat
@@ -1,101 +1,101 @@
-         0           0.00      35.688      21.268      56.956  12.87 0.000   NaN   NaN 0.936     323.778     290.000      15.552   17 
-     10000        2000.00      27.439     -36.006      -8.566   3.58 0.143 0.818 0.198 1.115     248.945     290.000       7.892   17 
-     20000        4000.00      26.799     -47.663     -20.864   7.58 0.214 0.500 0.189 1.229     243.130     290.000       9.434   17 
-     30000        6000.00      22.965     -33.821     -10.856   2.93 0.286 0.500 0.233 0.885     208.351     290.000       7.590   17 
-     40000        8000.00      24.107     -47.254     -23.147   2.74 0.357 0.615 0.248 1.167     218.708     290.000       6.910   17 
-     50000       10000.00      29.301     -48.788     -19.487   2.04 0.500 0.533 0.264 2.145     265.836     290.000       6.854   17 
-     60000       12000.00      33.176     -34.302      -1.126   2.95 0.286 0.556 0.197 1.434     300.991     290.000       7.108   17 
-     70000       14000.00      26.569     -43.406     -16.837   2.06 0.286 0.733 0.373 0.922     241.045     290.000       6.689   17 
-     80000       16000.00      32.079     -41.322      -9.243   4.22 0.357 0.643 0.399 1.325     291.037     290.000       6.446   17 
-     90000       18000.00      34.266     -28.877       5.389   6.67 0.143 0.818 0.236 1.697     310.875     290.000       8.028   17 
-    100000       20000.00      29.314     -32.824      -3.511   4.67 0.214 0.750 0.227 1.392     265.949     290.000       7.285   17 
-    110000       22000.00      28.889     -41.848     -12.959   4.43 0.286 0.750 0.369 1.380     262.100     290.000       6.685   17 
-    120000       24000.00      32.416     -35.625      -3.209   5.08 0.214 0.667 0.258 1.902     294.096     290.000       7.430   17 
-    130000       26000.00      27.740     -33.102      -5.362   5.30 0.071 0.875 0.261 1.679     251.671     290.000       7.901   17 
-    140000       28000.00      26.127     -41.232     -15.105   4.52 0.357 0.583 0.322 1.344     237.038     290.000       7.104   17 
-    150000       30000.00      25.102     -48.955     -23.853   3.90 0.286 0.667 0.341 1.053     227.743     290.000       7.293   17 
-    160000       32000.00      27.360     -54.131     -26.771   4.12 0.429 0.600 0.306 1.408     248.225     290.000       6.798   17 
-    170000       34000.00      31.447     -36.896      -5.450   5.31 0.214 0.667 0.303 1.357     285.299     290.000       7.904   17 
-    180000       36000.00      21.611     -33.460     -11.849   5.26 0.143 0.800 0.359 4.426     196.063     290.000       7.560   17 
-    190000       38000.00      26.438     -46.052     -19.614   4.92 0.286 0.733 0.321 1.254     239.857     290.000       6.783   17 
-    200000       40000.00      30.269     -41.759     -11.489   5.12 0.143 0.833 0.477 1.312     274.620     290.000       7.203   17 
-    210000       42000.00      29.246     -26.804       2.442   4.96 0.071 0.857 0.312 1.382     265.336     310.000       7.466   17 
-    220000       44000.00      29.244     -31.440      -2.197   4.11 0.286 0.667 0.367 1.487     265.314     310.000       7.594   17 
-    230000       46000.00      26.360     -29.183      -2.823   5.06 0.357 0.583 0.398 1.073     239.156     310.000       7.032   17 
-    240000       48000.00      28.154     -23.242       4.912   4.74 0.286 0.600 0.405 1.485     255.426     310.000       7.251   17 
-    250000       50000.00      36.932     -21.793      15.139   6.76 0.214 0.667 0.207 1.796     335.066     310.000       8.414   17 
-    260000       52000.00      34.093     -32.500       1.592   4.20 0.357 0.583 0.375 1.597     309.305     310.000       7.431   17 
-    270000       54000.00      29.730     -24.342       5.388   6.14 0.143 0.750 0.324 3.428     269.725     310.000       7.592   17 
-    280000       56000.00      28.832     -24.426       4.405   4.61 0.286 0.556 0.470 2.814     261.577     310.000       7.265   17 
-    290000       58000.00      29.297     -44.075     -14.778   4.97 0.214 0.750 0.428 2.328     265.801     310.000       7.052   17 
-    300000       60000.00      31.426     -34.711      -3.285   5.94 0.214 0.700 0.318 1.055     285.116     310.000       7.253   17 
-    310000       62000.00      35.669     -11.773      23.896   4.31 0.071 0.750 0.170 2.378     323.610     310.000       8.800   17 
-    320000       64000.00      27.523     -41.450     -13.927   4.37 0.286 0.636 0.277 1.165     249.704     310.000       7.172   17 
-    330000       66000.00      27.038     -29.166      -2.127   4.85 0.143 0.778 0.293 1.319     245.307     310.000       7.151   17 
-    340000       68000.00      21.139     -23.435      -2.296   5.31 0.071 0.889 0.359 1.659     191.786     310.000       7.433   17 
-    350000       70000.00      23.834     -33.996     -10.162   4.75 0.143 0.818 0.430 1.912     216.232     310.000       6.646   17 
-    360000       72000.00      32.033     -43.242     -11.209   5.86 0.357 0.643 0.419 1.431     290.616     310.000       7.416   17 
-    370000       74000.00      26.509     -29.342      -2.833   5.36 0.214 0.667 0.318 2.016     240.508     310.000       7.635   17 
-    380000       76000.00      24.801     -40.903     -16.102   5.85 0.214 0.667 0.258 0.937     225.008     310.000       7.150   17 
-    390000       78000.00      23.537     -32.279      -8.742   4.58 0.071 0.875 0.352 1.237     213.536     310.000       7.889   17 
-    400000       80000.00      30.222     -35.640      -5.418   5.51 0.214 0.750 0.367 2.544     274.187     310.000       6.938   17 
-    410000       82000.00      31.347     -41.824     -10.477   4.21 0.286 0.667 0.386 1.391     284.397     310.000       6.598   17 
-    420000       84000.00      22.591     -35.477     -12.885   4.03 0.143 0.667 0.174 0.637     204.961     310.000       7.793   17 
-    430000       86000.00      25.289     -40.259     -14.970   4.97 0.286 0.667 0.216 1.665     229.433     310.000       7.828   17 
-    440000       88000.00      28.287     -32.935      -4.648   5.52 0.286 0.556 0.157 1.821     256.632     310.000       8.106   17 
-    450000       90000.00      30.922     -31.402      -0.481   4.74 0.286 0.692 0.322 1.732     280.536     310.000       7.139   17 
-    460000       92000.00      28.613     -36.693      -8.080   6.77 0.286 0.500 0.182 2.555     259.592     310.000       8.392   17 
-    470000       94000.00      30.489     -43.633     -13.144   2.74 0.500 0.417 0.220 1.835     276.610     310.000       6.952   17 
-    480000       96000.00      34.656     -19.513      15.143   3.40 0.286 0.429 0.162 0.920     314.415     310.000       8.136   17 
-    490000       98000.00      33.444     -27.722       5.721   6.41 0.143 0.600 0.264 2.129     303.420     310.000       7.401   17 
-    500000      100000.00      28.210     -42.477     -14.267   5.34 0.143 0.778 0.414 2.334     255.938     310.000       7.418   17 
-    510000      102000.00      24.119     -32.643      -8.524   5.60 0.143 0.818 0.260 0.986     218.819     310.000       7.433   17 
-    520000      104000.00      29.716     -18.966      10.751   4.31 0.143 0.714 0.331 1.483     269.603     310.000       7.951   17 
-    530000      106000.00      26.958     -26.698       0.260   4.74 0.214 0.700 0.414 1.515     244.577     310.000       7.399   17 
-    540000      108000.00      25.124     -34.459      -9.335   5.17 0.071 0.857 0.331 1.412     227.938     310.000       7.996   17 
-    550000      110000.00      27.716     -24.505       3.212   5.60 0.286 0.692 0.353 1.643     251.458     310.000       7.715   17 
-    560000      112000.00      24.642     -32.100      -7.458   4.06 0.286 0.667 0.364 2.052     223.567     310.000       7.137   17 
-    570000      114000.00      26.614     -42.398     -15.785   4.54 0.214 0.769 0.234 1.495     241.453     310.000       6.882   17 
-    580000      116000.00      23.648     -39.564     -15.916   6.12 0.357 0.545 0.219 2.099     214.547     310.000       7.788   17 
-    590000      118000.00      28.067     -29.053      -0.985   6.63 0.286 0.556 0.212 1.964     254.642     310.000       7.886   17 
-    600000      120000.00      32.934     -17.552      15.382   5.60 0.143 0.667 0.174 1.559     298.793     310.000       9.611   17 
-    610000      122000.00      47.740       1.069      48.810  12.19 0.000   NaN   NaN 1.320     433.126     390.000      16.283   17 
-    620000      124000.00      31.462      -4.002      27.460   5.65 0.000 1.000 0.682 1.741     285.443     390.000       8.698   17 
-    630000      126000.00      36.968      10.453      47.421   5.94 0.071 0.000 0.136 2.373     335.390     390.000      10.339   17 
-    640000      128000.00      30.536      -4.885      25.651   4.92 0.071 0.667 0.379 1.852     277.043     390.000       8.680   17 
-    650000      130000.00      37.967      -7.613      30.355   7.60 0.000 1.000 0.205 1.357     344.460     390.000      10.218   17 
-    660000      132000.00      34.788       6.346      41.135   4.81 0.071 0.667 0.212 1.601     315.618     390.000       8.590   17 
-    670000      134000.00      44.987     -11.477      33.510   5.48 0.000 1.000 0.591 1.833     408.145     390.000       9.325   17 
-    680000      136000.00      39.162       1.132      40.294   3.98 0.143 0.600 0.282 1.371     355.294     390.000       7.916   17 
-    690000      138000.00      42.073      -2.667      39.407   5.93 0.143 0.750 0.347 2.264     381.710     390.000       7.781   17 
-    700000      140000.00      42.399       4.359      46.758   5.45 0.071 0.000 0.136 2.229     384.669     390.000      10.156   17 
-    710000      142000.00      46.784      -3.422      43.361  11.71 0.071 0.500 0.159 3.555     424.447     400.000      15.086   17 
-    720000      144000.00      46.939      -6.997      39.941   6.08 0.000 1.000 0.636 3.090     425.854     400.000       8.624   17 
-    730000      146000.00      48.707      -5.557      43.150   4.67 0.000 1.000 0.303 1.557     441.899     400.000       9.367   17 
-    740000      148000.00      37.605      -7.806      29.799   8.44 0.143 0.333 0.152 1.390     341.174     400.000      12.579   17 
-    750000      150000.00      33.556       8.142      41.698   9.41 0.143 0.600 0.227 3.833     304.440     400.000      11.803   17 
-    760000      152000.00      48.639      -8.205      40.434   8.30 0.071 0.000 0.182 1.775     441.276     400.000      11.713   17 
-    770000      154000.00      41.833      -9.188      32.645   6.41 0.071 0.875 0.307 2.066     379.528     400.000       8.514   17 
-    780000      156000.00      41.313      -0.591      40.721   5.07 0.071 0.857 0.474 3.426     374.811     400.000       7.654   17 
-    790000      158000.00      40.181      -9.702      30.478  11.21 0.000   NaN   NaN 2.218     364.541     400.000      14.691   17 
-    800000      160000.00      33.401      -4.687      28.714   5.26 0.071 0.500 0.727 1.325     303.034     400.000       9.266   17 
-    810000      162000.00      36.862      -2.739      34.123  10.04 0.071 0.000 0.136 1.184     334.433     390.000      12.661   17 
-    820000      164000.00      37.972      -2.186      35.786   8.61 0.143 0.000 0.136 1.946     344.505     390.000      11.067   17 
-    830000      166000.00      37.046      -1.864      35.182   7.48 0.143 0.333 0.152 1.253     336.101     390.000      11.388   17 
-    840000      168000.00      40.397       7.272      47.669   5.89 0.071 0.500 0.136 4.236     366.504     390.000       8.668   17 
-    850000      170000.00      29.207     -13.696      15.511   6.45 0.000 1.000 0.402 1.027     264.985     390.000       7.656   17 
-    860000      172000.00      51.177      -5.827      45.350   5.28 0.071 0.800 0.382 3.004     464.306     390.000       8.153   17 
-    870000      174000.00      33.480     -10.406      23.074   6.95 0.143 0.818 0.347 2.713     303.747     390.000       7.103   17 
-    880000      176000.00      39.842      -4.721      35.122   6.15 0.071 0.667 0.152 2.538     361.469     390.000       9.997   17 
-    890000      178000.00      56.295     -12.852      43.443   5.68 0.000 1.000 0.511 3.902     510.738     390.000       8.294   17 
-    900000      180000.00      37.240     -12.263      24.977   7.09 0.000 1.000 0.152 1.788     337.861     390.000      10.930   17 
-    910000      182000.00      35.311      -9.040      26.271   4.91 0.214 0.400 0.336 1.702     320.359     390.000       7.660   17 
-    920000      184000.00      39.919      -5.983      33.937   7.53 0.143 0.333 0.136 0.989     362.170     390.000      11.697   17 
-    930000      186000.00      44.200      -2.405      41.794  11.55 0.071 0.500 0.159 2.030     401.003     390.000      14.040   17 
-    940000      188000.00      40.562       7.067      47.630   9.36 0.000 1.000 0.182 3.129     368.003     390.000      11.404   17 
-    950000      190000.00      41.556      -2.602      38.953  10.68 0.000   NaN   NaN 2.281     377.013     390.000      14.268   17 
-    960000      192000.00      32.101      -5.177      26.924   5.92 0.000 1.000 0.309 1.279     291.235     390.000       8.159   17 
-    970000      194000.00      33.201      -9.179      24.022   7.15 0.143 0.833 0.420 1.743     301.213     390.000       7.489   17 
-    980000      196000.00      40.970      -6.842      34.128   4.80 0.071 0.889 0.197 2.131     371.701     390.000       8.111   17 
-    990000      198000.00      40.885      -0.582      40.304   5.86 0.071 0.750 0.182 2.037     370.933     390.000       8.198   17 
-   1000000      200000.00      35.552      -8.570      26.982   6.28 0.000 1.000 0.273 1.300     322.545     390.000       9.613   17 
+         0           0.00      30.746      24.668      55.414  12.87 0.000   NaN   NaN 0.706     278.947     330.000      15.552   17 
+     10000        2000.00      30.739      -9.523      21.216   6.18 0.143 0.000 0.136 1.244     278.876     330.000      10.663   17 
+     20000        4000.00      33.376     -16.159      17.218   5.88 0.214 0.700 0.359 1.901     302.805     330.000       7.414   17 
+     30000        6000.00      33.453     -27.098       6.355   3.49 0.357 0.286 0.331 1.117     303.502     330.000       7.930   17 
+     40000        8000.00      30.240     -20.608       9.632   4.12 0.214 0.750 0.303 1.845     274.352     330.000       6.698   17 
+     50000       10000.00      32.614     -20.238      12.376   4.69 0.143 0.833 0.330 1.679     295.891     330.000       6.802   17 
+     60000       12000.00      22.646     -22.386       0.260   4.15 0.214 0.667 0.409 2.254     205.457     330.000       8.097   17 
+     70000       14000.00      36.875      -8.517      28.358   8.59 0.143 0.000 0.136 1.478     334.549     330.000      11.376   17 
+     80000       16000.00      33.085      -7.088      25.997   7.20 0.000 1.000 0.227 0.874     300.164     330.000      11.388   17 
+     90000       18000.00      23.444     -11.749      11.695   5.77 0.071 0.000 0.136 1.736     212.694     330.000       8.736   17 
+    100000       20000.00      37.053     -26.728      10.325   4.56 0.071 0.800 0.518 0.811     336.168     330.000       7.708   17 
+    110000       22000.00      27.171     -21.440       5.731   4.42 0.071 0.750 0.341 1.491     246.508     320.000       8.558   17 
+    120000       24000.00      28.761     -31.253      -2.492   6.65 0.143 0.818 0.211 1.581     260.938     320.000       7.352   17 
+    130000       26000.00      35.433      -0.204      35.229   6.38 0.071 0.833 0.311 1.764     321.470     320.000       8.534   17 
+    140000       28000.00      39.286     -19.416      19.870   4.70 0.071 0.857 0.383 2.435     356.421     320.000       7.071   17 
+    150000       30000.00      25.869      -6.359      19.509   7.08 0.071 0.667 0.152 0.835     234.696     320.000      10.509   17 
+    160000       32000.00      29.352      -9.792      19.560   5.29 0.214 0.625 0.489 2.166     266.300     320.000       7.594   17 
+    170000       34000.00      35.099     -11.901      23.198   5.07 0.071 0.800 0.255 1.051     318.439     320.000       8.094   17 
+    180000       36000.00      25.290     -16.748       8.542   4.63 0.286 0.556 0.177 1.246     229.441     320.000       7.470   17 
+    190000       38000.00      28.119      -2.433      25.687   5.78 0.143 0.750 0.443 3.389     255.114     320.000       7.329   17 
+    200000       40000.00      28.738     -36.845      -8.107   5.95 0.071 0.875 0.341 1.361     260.726     320.000       7.349   17 
+    210000       42000.00      27.553     -24.887       2.666   4.99 0.143 0.714 0.468 2.446     249.975     320.000       8.305   17 
+    220000       44000.00      26.138     -17.847       8.292   5.71 0.143 0.000 0.159 1.358     237.141     320.000       9.299   17 
+    230000       46000.00      40.084     -21.815      18.268   4.74 0.214 0.667 0.394 2.215     363.660     320.000       7.996   17 
+    240000       48000.00      30.647     -16.418      14.228   6.30 0.000 1.000 0.351 1.618     278.042     320.000       7.707   17 
+    250000       50000.00      28.225     -15.665      12.560   9.21 0.214 0.500 0.167 1.363     256.075     320.000      11.454   17 
+    260000       52000.00      31.305     -23.514       7.791   5.88 0.143 0.714 0.422 2.040     284.019     320.000       7.598   17 
+    270000       54000.00      29.779     -18.750      11.029   5.17 0.071 0.750 0.352 1.710     270.167     320.000       8.289   17 
+    280000       56000.00      33.325      -4.777      28.548   4.53 0.143 0.500 0.170 1.733     302.342     320.000       8.091   17 
+    290000       58000.00      22.547     -17.591       4.956   7.14 0.214 0.250 0.148 1.522     204.560     320.000      11.375   17 
+    300000       60000.00      24.541     -22.689       1.852   5.72 0.071 0.833 0.212 2.554     222.649     320.000       8.069   17 
+    310000       62000.00      29.323     -27.348       1.975   5.96 0.071 0.889 0.313 1.453     266.032     310.000       6.814   17 
+    320000       64000.00      36.570     -24.612      11.958   5.84 0.071 0.800 0.327 1.269     331.779     310.000       9.436   17 
+    330000       66000.00      30.020     -11.693      18.326   7.40 0.071 0.800 0.218 2.907     272.355     310.000       8.736   17 
+    340000       68000.00      32.362     -26.705       5.657   7.17 0.071 0.833 0.242 1.250     293.603     310.000       7.783   17 
+    350000       70000.00      23.237     -20.892       2.345   4.83 0.143 0.800 0.345 1.257     210.817     310.000       6.964   17 
+    360000       72000.00      29.474      -8.295      21.179   9.94 0.071 0.500 0.182 1.684     267.404     310.000      13.311   17 
+    370000       74000.00      31.146     -17.686      13.460   7.16 0.143 0.818 0.388 2.182     282.575     310.000       6.639   17 
+    380000       76000.00      34.886     -16.023      18.863   7.10 0.214 0.400 0.164 1.365     316.501     310.000      10.478   17 
+    390000       78000.00      26.479     -10.924      15.555   5.21 0.071 0.667 0.333 2.852     240.234     310.000       7.663   17 
+    400000       80000.00      34.091     -20.655      13.435   3.55 0.143 0.750 0.284 2.323     309.289     310.000       8.038   17 
+    410000       82000.00      27.076     -19.687       7.389   5.06 0.143 0.800 0.432 2.944     245.648     300.000       7.256   17 
+    420000       84000.00      31.515     -27.169       4.346   4.42 0.071 0.889 0.434 2.822     285.924     300.000       7.426   17 
+    430000       86000.00      20.877     -36.397     -15.520   4.99 0.214 0.769 0.273 2.317     189.410     300.000       7.203   17 
+    440000       88000.00      37.488     -20.303      17.184   4.71 0.071 0.875 0.233 1.799     340.107     300.000       6.781   17 
+    450000       90000.00      27.096     -22.323       4.774   5.46 0.143 0.600 0.218 1.783     245.833     300.000       9.117   17 
+    460000       92000.00      25.220     -15.315       9.905   4.94 0.357 0.500 0.264 1.136     228.809     300.000       7.291   17 
+    470000       94000.00      25.904     -35.222      -9.319   6.62 0.286 0.200 0.155 1.284     235.011     300.000       8.640   17 
+    480000       96000.00      30.261     -27.085       3.176   4.50 0.143 0.778 0.419 1.420     274.545     300.000       6.403   17 
+    490000       98000.00      27.803     -34.054      -6.252   4.20 0.214 0.769 0.248 1.644     252.239     300.000       7.640   17 
+    500000      100000.00      30.982     -33.061      -2.079   5.90 0.214 0.667 0.283 1.612     281.085     300.000       6.774   17 
+    510000      102000.00      30.397     -46.524     -16.126   3.70 0.357 0.583 0.341 1.943     275.781     280.000       7.040   17 
+    520000      104000.00      24.812     -37.392     -12.581   4.75 0.143 0.818 0.310 1.718     225.105     280.000       6.524   17 
+    530000      106000.00      23.217     -34.047     -10.830   5.60 0.214 0.769 0.308 1.607     210.633     280.000       6.607   17 
+    540000      108000.00      27.495     -43.669     -16.174   3.17 0.143 0.600 0.173 1.454     249.452     280.000       7.282   17 
+    550000      110000.00      29.107     -30.951      -1.844   1.87 0.571 0.467 0.303 1.811     264.075     280.000       6.586   17 
+    560000      112000.00      25.769     -38.212     -12.443   2.16 0.500 0.417 0.405 1.833     233.790     280.000       6.709   17 
+    570000      114000.00      23.017     -49.507     -26.490   1.78 0.357 0.615 0.276 1.310     208.823     280.000       6.686   17 
+    580000      116000.00      27.674     -44.321     -16.647   2.55 0.429 0.538 0.259 2.259     251.073     280.000       7.021   17 
+    590000      118000.00      30.192     -35.008      -4.816   3.18 0.357 0.545 0.260 1.743     273.921     280.000       7.032   17 
+    600000      120000.00      31.135     -38.374      -7.238   4.20 0.214 0.571 0.331 1.871     282.475     280.000       7.361   17 
+    610000      122000.00      31.843     -16.734      15.110   4.61 0.143 0.667 0.348 1.420     288.899     300.000       7.613   17 
+    620000      124000.00      33.461     -21.948      11.513   2.78 0.286 0.636 0.479 0.773     303.579     300.000       7.468   17 
+    630000      126000.00      39.179     -28.416      10.763   5.25 0.357 0.375 0.188 1.550     355.454     300.000       7.366   17 
+    640000      128000.00      25.615     -35.477      -9.862   3.88 0.429 0.600 0.403 2.066     232.393     300.000       6.818   17 
+    650000      130000.00      32.534     -25.744       6.790   3.71 0.286 0.636 0.277 1.814     295.165     300.000       6.405   17 
+    660000      132000.00      38.250     -31.412       6.838   3.71 0.071 0.800 0.382 2.480     347.027     300.000       7.804   17 
+    670000      134000.00      33.923     -30.628       3.295   2.87 0.429 0.571 0.269 1.874     307.765     300.000       7.062   17 
+    680000      136000.00      26.076     -28.622      -2.545   5.19 0.071 0.889 0.313 1.725     236.578     300.000       7.213   17 
+    690000      138000.00      26.986     -39.779     -12.793   4.70 0.214 0.812 0.304 1.305     244.829     300.000       6.726   17 
+    700000      140000.00      27.879     -30.652      -2.773   4.59 0.214 0.800 0.470 1.049     252.931     300.000       7.107   17 
+    710000      142000.00      37.280       1.825      39.105  11.98 0.071 0.000 0.136 4.119     338.227     330.000      14.821   17 
+    720000      144000.00      32.526     -11.878      20.648  10.52 0.000   NaN   NaN 2.203     295.097     330.000      14.543   17 
+    730000      146000.00      34.886       6.601      41.487   6.31 0.071 0.667 0.288 1.588     316.501     330.000       8.725   17 
+    740000      148000.00      33.948     -18.558      15.389   5.62 0.214 0.769 0.350 2.552     307.990     330.000       6.936   17 
+    750000      150000.00      35.363     -11.301      24.062   6.37 0.000 1.000 0.602 1.548     320.828     330.000       9.347   17 
+    760000      152000.00      43.112      -3.289      39.823   5.77 0.071 0.500 0.318 4.292     391.131     330.000      10.036   17 
+    770000      154000.00      35.393       6.693      42.086   5.15 0.071 0.500 0.591 1.348     321.104     330.000       8.630   17 
+    780000      156000.00      23.097      -8.273      14.824   3.68 0.357 0.500 0.436 0.939     209.548     330.000       7.957   17 
+    790000      158000.00      36.274     -13.309      22.964   4.95 0.143 0.750 0.239 2.176     329.095     330.000       7.846   17 
+    800000      160000.00      32.831     -15.854      16.977   4.43 0.143 0.714 0.234 1.754     297.858     330.000       7.919   17 
+    810000      162000.00      24.847     -12.096      12.752   5.14 0.071 0.833 0.409 1.742     225.428     310.000       8.624   17 
+    820000      164000.00      27.263     -19.882       7.381   5.44 0.143 0.667 0.348 1.722     247.345     310.000       7.880   17 
+    830000      166000.00      22.355     -19.899       2.456   4.65 0.071 0.750 0.193 1.251     202.814     310.000       8.039   17 
+    840000      168000.00      31.132     -14.591      16.540   4.16 0.214 0.625 0.375 2.673     282.441     310.000       7.676   17 
+    850000      170000.00      31.628     -19.795      11.833   5.74 0.000 1.000 0.348 0.774     286.947     310.000       8.530   17 
+    860000      172000.00      28.918     -22.390       6.528   6.09 0.071 0.750 0.307 2.660     262.356     310.000       8.450   17 
+    870000      174000.00      30.680     -31.089      -0.409   2.84 0.357 0.444 0.338 1.516     278.348     310.000       7.131   17 
+    880000      176000.00      30.212     -27.787       2.424   5.26 0.500 0.364 0.318 2.647     274.095     310.000       7.023   17 
+    890000      178000.00      34.007     -27.431       6.576   4.65 0.143 0.600 0.245 3.263     308.530     310.000       8.222   17 
+    900000      180000.00      26.646     -29.006      -2.360   3.71 0.286 0.556 0.247 1.718     241.750     310.000       7.488   17 
+    910000      182000.00      23.536     -38.177     -14.641   3.79 0.214 0.800 0.336 1.320     213.532     300.000       6.468   17 
+    920000      184000.00      31.091     -21.302       9.790   5.77 0.214 0.400 0.173 1.654     282.077     300.000       9.886   17 
+    930000      186000.00      31.261     -19.630      11.630   4.98 0.143 0.800 0.332 1.620     283.612     300.000       7.954   17 
+    940000      188000.00      31.000     -34.314      -3.313   3.91 0.214 0.700 0.391 1.366     281.252     300.000       6.788   17 
+    950000      190000.00      32.211     -33.131      -0.920   3.36 0.429 0.455 0.236 0.913     292.238     300.000       7.594   17 
+    960000      192000.00      28.630     -32.841      -4.211   5.67 0.143 0.667 0.242 1.950     259.747     300.000       6.893   17 
+    970000      194000.00      29.933     -26.391       3.542   5.66 0.143 0.846 0.322 1.956     271.564     300.000       7.053   17 
+    980000      196000.00      34.127     -11.406      22.720   5.12 0.071 0.750 0.227 1.733     309.614     300.000       9.029   17 
+    990000      198000.00      26.128     -41.342     -15.214   4.04 0.286 0.667 0.242 1.393     237.047     300.000       7.021   17 
+   1000000      200000.00      25.405     -37.401     -11.996   4.15 0.143 0.800 0.314 1.493     230.483     300.000       7.025   17 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB018.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB018.stat
index eed99c3..64c22e5 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB018.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB018.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.193      21.268      54.461  12.87 0.000   NaN   NaN 0.936     301.148     290.000      15.552   18 
-     10000        2000.00      30.616     -24.776       5.840   5.76 0.214 0.700 0.368 1.689     277.765     290.000       7.155   18 
-     20000        4000.00      22.804     -48.166     -25.362   5.24 0.357 0.643 0.321 2.106     206.892     290.000       6.989   18 
-     30000        6000.00      29.663     -46.228     -16.565   6.79 0.286 0.692 0.241 1.715     269.121     290.000       7.092   18 
-     40000        8000.00      35.680     -45.474      -9.794   3.19 0.429 0.538 0.329 1.604     323.707     290.000       6.405   18 
-     50000       10000.00      24.879     -42.940     -18.061   4.78 0.214 0.769 0.259 1.154     225.717     290.000       7.296   18 
-     60000       12000.00      35.260     -34.259       1.000   4.12 0.286 0.714 0.396 1.551     319.893     290.000       6.969   18 
-     70000       14000.00      27.413     -43.260     -15.847   5.05 0.286 0.667 0.447 1.122     248.702     290.000       6.930   18 
-     80000       16000.00      29.440     -45.639     -16.198   3.73 0.429 0.647 0.289 1.265     267.099     290.000       6.905   18 
-     90000       18000.00      25.048     -43.112     -18.065   4.32 0.214 0.750 0.330 1.648     227.244     290.000       7.281   18 
-    100000       20000.00      29.678     -32.769      -3.090   4.55 0.214 0.750 0.250 1.721     269.257     290.000       7.106   18 
-    110000       22000.00      29.035     -24.081       4.954   5.42 0.071 0.889 0.369 1.858     263.422     310.000       7.849   18 
-    120000       24000.00      34.482     -39.963      -5.481   5.02 0.357 0.500 0.205 3.723     312.837     310.000       7.062   18 
-    130000       26000.00      29.813     -33.004      -3.191   6.10 0.286 0.556 0.227 1.157     270.480     310.000       7.787   18 
-    140000       28000.00      29.173     -28.621       0.552   6.70 0.071 0.875 0.273 1.128     264.675     310.000       7.274   18 
-    150000       30000.00      27.562     -26.523       1.039   5.63 0.143 0.778 0.232 1.030     250.058     310.000       7.026   18 
-    160000       32000.00      24.913     -28.525      -3.612   5.57 0.143 0.778 0.429 2.534     226.026     310.000       7.824   18 
-    170000       34000.00      32.685     -35.196      -2.511   6.10 0.286 0.636 0.310 1.776     296.536     310.000       6.805   18 
-    180000       36000.00      36.374     -37.159      -0.785   7.54 0.214 0.750 0.360 1.473     330.005     310.000       7.107   18 
-    190000       38000.00      24.217     -26.515      -2.297   4.83 0.143 0.500 0.227 1.274     219.713     310.000       8.297   18 
-    200000       40000.00      22.515     -32.126      -9.610   4.78 0.000 1.000 0.338 1.417     204.271     310.000       7.117   18 
-    210000       42000.00      25.559     -28.465      -2.906   5.14 0.214 0.667 0.409 1.413     231.883     320.000       8.627   18 
-    220000       44000.00      24.573     -25.482      -0.908   4.48 0.143 0.778 0.500 0.956     222.942     320.000       7.622   18 
-    230000       46000.00      29.805     -45.203     -15.398   3.75 0.357 0.688 0.455 1.154     270.409     320.000       6.579   18 
-    240000       48000.00      34.415     -30.140       4.275   6.23 0.214 0.500 0.205 3.388     312.235     320.000       9.897   18 
-    250000       50000.00      31.561     -22.624       8.937   6.77 0.071 0.833 0.174 1.401     286.335     320.000       9.687   18 
-    260000       52000.00      32.284     -38.265      -5.981   3.85 0.286 0.733 0.321 1.452     292.895     320.000       6.749   18 
-    270000       54000.00      34.690     -32.603       2.087   7.54 0.286 0.556 0.197 1.746     314.724     320.000       9.139   18 
-    280000       56000.00      44.080     -16.310      27.770   5.80 0.143 0.600 0.182 1.535     399.913     320.000       8.136   18 
-    290000       58000.00      26.317     -29.235      -2.919   5.63 0.143 0.600 0.345 2.514     238.759     320.000       7.123   18 
-    300000       60000.00      23.648     -35.014     -11.366   6.16 0.286 0.500 0.324 1.662     214.544     320.000       7.126   18 
-    310000       62000.00      38.588     -34.411       4.177   6.23 0.143 0.875 0.366 2.629     350.088     310.000       6.791   18 
-    320000       64000.00      31.430     -26.614       4.816   5.30 0.214 0.625 0.256 2.851     285.149     310.000       7.518   18 
-    330000       66000.00      31.251     -27.228       4.023   5.82 0.143 0.714 0.357 0.608     283.529     310.000       7.415   18 
-    340000       68000.00      36.032     -30.835       5.198   5.51 0.214 0.769 0.423 0.927     326.905     310.000       7.172   18 
-    350000       70000.00      26.493     -25.455       1.038   5.17 0.071 0.667 0.182 2.486     240.356     310.000       7.543   18 
-    360000       72000.00      33.169     -22.356      10.813   5.47 0.071 0.833 0.409 1.029     300.928     310.000       7.482   18 
-    370000       74000.00      29.855     -17.770      12.085   4.33 0.000 1.000 0.473 1.332     270.864     310.000       8.696   18 
-    380000       76000.00      24.208     -37.348     -13.140   5.22 0.214 0.625 0.472 1.366     219.628     310.000       7.020   18 
-    390000       78000.00      25.812     -31.825      -6.013   3.66 0.214 0.700 0.341 1.727     234.181     310.000       7.408   18 
-    400000       80000.00      27.047     -27.865      -0.818   4.33 0.286 0.556 0.429 1.376     245.383     310.000       7.820   18 
-    410000       82000.00      26.700     -31.325      -4.625   4.60 0.214 0.500 0.523 1.690     242.236     330.000       7.656   18 
-    420000       84000.00      35.579     -21.671      13.908   2.60 0.357 0.444 0.177 2.622     322.787     330.000       7.579   18 
-    430000       86000.00      36.630     -13.221      23.408   4.95 0.214 0.400 0.245 1.652     332.325     330.000       8.647   18 
-    440000       88000.00      34.760     -22.452      12.308   4.11 0.214 0.250 0.364 3.115     315.357     330.000       7.963   18 
-    450000       90000.00      26.908     -28.546      -1.638   6.79 0.143 0.800 0.332 0.806     244.124     330.000       7.108   18 
-    460000       92000.00      27.418     -19.463       7.955   4.63 0.143 0.818 0.388 1.120     248.753     330.000       7.382   18 
-    470000       94000.00      33.408     -24.110       9.299   5.20 0.214 0.700 0.455 3.096     303.097     330.000       7.353   18 
-    480000       96000.00      29.923     -25.122       4.801   4.27 0.357 0.500 0.259 1.278     271.476     330.000       7.748   18 
-    490000       98000.00      37.254     -19.804      17.450   5.95 0.143 0.600 0.164 0.886     337.991     330.000       8.070   18 
-    500000      100000.00      33.559     -35.013      -1.455   5.90 0.214 0.727 0.318 1.567     304.460     330.000       7.758   18 
-    510000      102000.00      26.198     -18.119       8.078   6.04 0.071 0.833 0.333 3.031     237.678     330.000       7.438   18 
-    520000      104000.00      27.958     -16.864      11.094   4.35 0.214 0.727 0.260 2.119     253.647     330.000       7.107   18 
-    530000      106000.00      34.557     -22.644      11.913   5.06 0.071 0.917 0.383 1.766     313.517     330.000       7.207   18 
-    540000      108000.00      31.697     -12.260      19.438   4.89 0.214 0.500 0.242 2.801     287.576     330.000       8.535   18 
-    550000      110000.00      40.892     -30.121      10.770   5.04 0.214 0.500 0.265 2.216     370.991     330.000       7.551   18 
-    560000      112000.00      36.151     -31.808       4.343   4.95 0.071 0.750 0.250 2.221     327.985     330.000       8.060   18 
-    570000      114000.00      35.002     -22.580      12.422   4.98 0.286 0.667 0.443 1.946     317.553     330.000       6.896   18 
-    580000      116000.00      29.660     -26.611       3.049   4.54 0.071 0.900 0.364 1.866     269.091     330.000       7.271   18 
-    590000      118000.00      35.513     -32.518       2.995   5.69 0.143 0.800 0.345 2.070     322.196     330.000       7.092   18 
-    600000      120000.00      37.903     -21.378      16.525   6.51 0.143 0.800 0.368 1.390     343.879     330.000       8.082   18 
-    610000      122000.00      34.889     -14.236      20.653   5.45 0.000 1.000 0.409 2.989     316.530     340.000       9.326   18 
-    620000      124000.00      38.726     -14.307      24.419   5.93 0.143 0.600 0.364 3.556     351.343     340.000       8.566   18 
-    630000      126000.00      38.285     -14.496      23.789   6.30 0.000 1.000 0.432 2.275     347.338     340.000       8.842   18 
-    640000      128000.00      30.798       0.898      31.696   7.81 0.071 0.000 0.136 2.691     279.418     340.000      12.289   18 
-    650000      130000.00      25.283     -27.786      -2.503   5.44 0.214 0.667 0.414 1.889     229.379     340.000       7.168   18 
-    660000      132000.00      35.717     -18.516      17.200   9.06 0.143 0.667 0.242 3.857     324.042     340.000      10.950   18 
-    670000      134000.00      30.447     -31.689      -1.242   6.49 0.143 0.833 0.318 1.895     276.229     340.000       7.006   18 
-    680000      136000.00      31.241     -25.934       5.307   5.47 0.214 0.727 0.355 2.135     283.432     340.000       7.590   18 
-    690000      138000.00      34.868     -30.832       4.037   4.89 0.143 0.778 0.242 1.538     316.344     340.000       7.112   18 
-    700000      140000.00      26.214     -26.934      -0.719   3.81 0.143 0.600 0.291 1.314     237.829     340.000       7.682   18 
-    710000      142000.00      32.175     -36.586      -4.411   3.90 0.214 0.667 0.253 1.493     291.906     320.000       7.580   18 
-    720000      144000.00      27.250     -25.082       2.168   5.03 0.286 0.600 0.241 1.445     247.226     320.000       7.867   18 
-    730000      146000.00      31.453     -17.306      14.147   6.26 0.143 0.750 0.176 1.301     285.356     320.000       9.993   18 
-    740000      148000.00      31.127     -26.308       4.819   6.56 0.071 0.889 0.374 1.572     282.400     320.000       7.146   18 
-    750000      150000.00      25.561     -19.292       6.269   6.02 0.000 1.000 0.292 1.738     231.905     320.000       7.791   18 
-    760000      152000.00      30.572     -13.840      16.732   4.62 0.000 1.000 0.273 0.519     277.368     320.000       9.391   18 
-    770000      154000.00      31.173     -30.806       0.367   7.42 0.071 0.667 0.152 0.888     282.820     320.000      11.593   18 
-    780000      156000.00      33.436     -22.152      11.284   4.38 0.214 0.400 0.245 1.666     303.345     320.000       8.616   18 
-    790000      158000.00      26.505     -30.472      -3.966   5.13 0.214 0.750 0.383 1.177     240.470     320.000       8.196   18 
-    800000      160000.00      28.276     -34.102      -5.825   4.29 0.286 0.692 0.427 1.256     256.536     320.000       6.774   18 
-    810000      162000.00      33.881     -47.345     -13.464   3.85 0.429 0.625 0.395 1.108     307.384     300.000       6.399   18 
-    820000      164000.00      32.593     -41.371      -8.778   4.29 0.429 0.500 0.227 1.249     295.702     300.000       6.809   18 
-    830000      166000.00      27.614     -24.047       3.567   4.18 0.214 0.667 0.202 1.988     250.533     300.000       7.607   18 
-    840000      168000.00      31.179     -34.350      -3.171   8.95 0.214 0.571 0.169 2.091     282.868     300.000      11.927   18 
-    850000      170000.00      30.156     -41.445     -11.288   3.89 0.286 0.667 0.371 1.452     273.595     300.000       6.850   18 
-    860000      172000.00      29.036     -41.070     -12.034   3.76 0.071 0.889 0.343 1.314     263.428     300.000       7.687   18 
-    870000      174000.00      35.637     -37.540      -1.903   2.65 0.286 0.429 0.292 1.348     323.319     300.000       7.516   18 
-    880000      176000.00      32.430     -31.337       1.093   3.74 0.214 0.700 0.482 3.008     294.221     300.000       6.897   18 
-    890000      178000.00      28.600     -37.953      -9.353   3.14 0.429 0.571 0.295 1.879     259.473     300.000       6.914   18 
-    900000      180000.00      22.479     -27.558      -5.079   4.08 0.357 0.706 0.412 1.924     203.941     300.000       6.370   18 
-    910000      182000.00      21.594     -24.867      -3.273   5.45 0.286 0.636 0.190 2.273     195.911     300.000       8.121   18 
-    920000      184000.00      29.729     -55.431     -25.702   2.61 0.500 0.611 0.273 2.209     269.713     300.000       6.616   18 
-    930000      186000.00      24.191     -42.077     -17.886   3.39 0.357 0.667 0.348 1.250     219.477     300.000       6.630   18 
-    940000      188000.00      25.490     -34.257      -8.767   4.67 0.071 0.857 0.221 1.738     231.256     300.000       7.754   18 
-    950000      190000.00      27.926     -21.288       6.637   4.83 0.143 0.667 0.220 1.796     253.356     300.000       8.141   18 
-    960000      192000.00      30.671     -41.775     -11.104   6.65 0.286 0.500 0.176 1.445     278.265     300.000       9.118   18 
-    970000      194000.00      33.613     -36.433      -2.820   4.91 0.357 0.762 0.403 2.038     304.953     300.000       6.973   18 
-    980000      196000.00      34.352     -40.113      -5.761   4.75 0.214 0.769 0.374 1.312     311.659     300.000       7.044   18 
-    990000      198000.00      27.887     -38.811     -10.923   4.18 0.286 0.600 0.232 1.366     253.008     300.000       6.717   18 
-   1000000      200000.00      24.813     -43.481     -18.668   5.37 0.214 0.750 0.292 1.010     225.119     300.000       6.349   18 
+         0           0.00      39.317      24.626      63.943  12.87 0.000   NaN   NaN 0.706     356.700     340.000      15.552   18 
+     10000        2000.00      36.912       2.345      39.257   7.34 0.071 0.667 0.212 1.470     334.885     340.000      10.764   18 
+     20000        4000.00      34.297      -1.820      32.477   6.15 0.071 0.500 0.159 1.417     311.159     340.000       9.873   18 
+     30000        6000.00      25.402     -12.671      12.731   5.61 0.071 0.875 0.432 3.280     230.465     340.000       7.230   18 
+     40000        8000.00      28.750     -17.196      11.555   7.27 0.286 0.667 0.227 1.380     260.838     340.000       9.042   18 
+     50000       10000.00      31.617      -4.865      26.752   5.78 0.000 1.000 0.250 1.443     286.849     340.000       8.300   18 
+     60000       12000.00      35.029       0.725      35.754   9.44 0.000 1.000 0.273 1.836     317.801     340.000      12.826   18 
+     70000       14000.00      32.973      -4.793      28.180   4.84 0.000 1.000 0.386 1.478     299.145     340.000       9.047   18 
+     80000       16000.00      28.839      -6.827      22.012   4.23 0.214 0.625 0.415 1.785     261.643     340.000       7.688   18 
+     90000       18000.00      41.231     -14.047      27.184   5.08 0.143 0.600 0.255 1.924     374.073     340.000       8.217   18 
+    100000       20000.00      26.272       3.562      29.834   8.43 0.000 1.000 0.159 2.686     238.350     340.000      11.166   18 
+    110000       22000.00      35.105       2.247      37.352   5.45 0.071 0.833 0.348 1.492     318.494     340.000       7.902   18 
+    120000       24000.00      34.126      -8.190      25.936   4.81 0.071 0.800 0.218 0.992     309.605     340.000       7.747   18 
+    130000       26000.00      37.142      -1.020      36.122   9.70 0.071 0.000 0.136 1.440     336.971     340.000      13.727   18 
+    140000       28000.00      35.064      -8.751      26.312   7.67 0.214 0.250 0.170 1.961     318.115     340.000      10.345   18 
+    150000       30000.00      30.440      -4.288      26.153   7.59 0.071 0.500 0.205 0.836     276.170     340.000      10.819   18 
+    160000       32000.00      35.446     -11.818      23.628   5.61 0.071 0.833 0.621 1.350     321.588     340.000       8.524   18 
+    170000       34000.00      44.433      -8.261      36.172   5.07 0.071 0.500 0.159 2.027     403.120     340.000       9.782   18 
+    180000       36000.00      35.483      -3.466      32.017   5.41 0.071 0.833 0.371 1.363     321.916     340.000       9.685   18 
+    190000       38000.00      33.300     -25.048       8.252   4.86 0.071 0.857 0.565 2.167     302.115     340.000       8.400   18 
+    200000       40000.00      36.015      -7.721      28.294   5.52 0.071 0.667 0.288 1.905     326.747     340.000       9.777   18 
+    210000       42000.00      41.671      -3.788      37.884   5.55 0.000   NaN   NaN 1.222     378.065     340.000       8.842   18 
+    220000       44000.00      30.727      -4.651      26.076   6.32 0.000 1.000 0.470 2.012     278.769     340.000       9.649   18 
+    230000       46000.00      39.370      -9.265      30.105   7.47 0.071 0.500 0.159 3.297     357.184     340.000      10.472   18 
+    240000       48000.00      40.635      -3.196      37.439   5.93 0.000 1.000 0.455 3.433     368.664     340.000       9.050   18 
+    250000       50000.00      30.958      -5.923      25.035   6.13 0.214 0.400 0.445 2.415     280.868     340.000       8.003   18 
+    260000       52000.00      36.495      -4.764      31.731   5.59 0.071 0.000 0.136 1.642     331.102     340.000      10.317   18 
+    270000       54000.00      28.927     -14.550      14.377   4.67 0.071 0.833 0.303 1.559     262.443     340.000       8.548   18 
+    280000       56000.00      30.126       4.756      34.882   7.03 0.071 0.000 0.136 1.300     273.321     340.000      11.019   18 
+    290000       58000.00      40.731     -15.244      25.487   4.89 0.071 0.833 0.394 2.789     369.536     340.000       8.125   18 
+    300000       60000.00      32.487      -7.176      25.311   5.03 0.071 0.800 0.355 1.978     294.743     340.000       8.113   18 
+    310000       62000.00      32.337       3.346      35.683   8.15 0.000 1.000 0.136 2.055     293.375     370.000      11.835   18 
+    320000       64000.00      29.827       2.370      32.197   6.59 0.000 1.000 0.309 1.531     270.606     370.000       9.380   18 
+    330000       66000.00      34.916       9.716      44.633   8.12 0.071 0.667 0.197 1.723     316.778     370.000      10.768   18 
+    340000       68000.00      32.729       1.269      33.998   5.88 0.000 1.000 0.500 0.941     296.938     370.000      10.413   18 
+    350000       70000.00      34.533       8.203      42.735   5.20 0.000 1.000 0.182 2.872     313.299     370.000       8.634   18 
+    360000       72000.00      35.224     -16.336      18.889   4.69 0.071 0.750 0.409 1.261     319.574     370.000       8.281   18 
+    370000       74000.00      38.383      -3.065      35.319   5.22 0.071 0.833 0.417 2.468     348.234     370.000       7.827   18 
+    380000       76000.00      44.653      -5.752      38.902   5.43 0.000 1.000 0.136 1.876     405.117     370.000       9.346   18 
+    390000       78000.00      35.813      -1.459      34.354   9.72 0.000 1.000 0.273 2.312     324.916     370.000      13.447   18 
+    400000       80000.00      41.334      -4.716      36.618   8.02 0.071 0.667 0.212 1.569     375.000     370.000      10.909   18 
+    410000       82000.00      37.447      -1.755      35.692   5.84 0.000 1.000 0.273 2.578     339.739     360.000       9.792   18 
+    420000       84000.00      31.203       1.407      32.610   6.84 0.071 0.000 0.136 3.393     283.089     360.000      11.696   18 
+    430000       86000.00      35.832      -0.274      35.558   6.82 0.000   NaN   NaN 1.789     325.086     360.000       9.646   18 
+    440000       88000.00      30.414     -10.434      19.980   5.05 0.071 0.667 0.242 1.440     275.934     360.000       8.862   18 
+    450000       90000.00      36.347      -8.535      27.811   4.88 0.071 0.667 0.409 1.578     329.757     360.000       8.706   18 
+    460000       92000.00      29.440      -5.357      24.083   5.58 0.071 0.800 0.609 2.359     267.095     360.000       8.251   18 
+    470000       94000.00      25.874      -7.244      18.631   6.13 0.071 0.923 0.395 3.352     234.747     360.000       7.847   18 
+    480000       96000.00      28.780       0.366      29.146   4.44 0.000 1.000 0.159 2.177     261.108     360.000       8.655   18 
+    490000       98000.00      39.966      -4.284      35.682   6.94 0.000 1.000 0.273 1.180     362.590     360.000       8.677   18 
+    500000      100000.00      35.165      -8.831      26.334   7.45 0.071 0.750 0.205 2.635     319.034     360.000      11.201   18 
+    510000      102000.00      32.443       1.761      34.204   6.84 0.000   NaN   NaN 1.966     294.339     350.000      11.201   18 
+    520000      104000.00      33.580      -6.365      27.215   6.02 0.071 0.500 0.227 1.926     304.654     350.000      10.074   18 
+    530000      106000.00      36.657     -25.256      11.401   5.76 0.000 1.000 0.420 2.399     332.568     350.000       7.047   18 
+    540000      108000.00      31.013      -6.475      24.538   5.45 0.143 0.714 0.455 1.911     281.366     350.000       7.572   18 
+    550000      110000.00      34.830     -13.993      20.837   6.00 0.071 0.667 0.621 1.763     315.997     350.000       8.075   18 
+    560000      112000.00      34.765       0.838      35.603   6.24 0.000 1.000 0.364 1.843     315.403     350.000      10.209   18 
+    570000      114000.00      30.249      -4.196      26.053   6.00 0.071 0.500 0.159 2.191     274.439     350.000      10.731   18 
+    580000      116000.00      34.369       1.822      36.191   7.92 0.071 0.000 0.136 1.780     311.813     350.000      11.406   18 
+    590000      118000.00      35.486      -2.607      32.880   5.90 0.071 0.500 0.159 1.534     321.950     350.000       8.361   18 
+    600000      120000.00      25.314      -7.638      17.675   4.88 0.143 0.600 0.527 1.728     229.658     350.000       8.590   18 
+    610000      122000.00      27.605      -7.173      20.431   5.97 0.071 0.750 0.352 2.112     250.443     390.000       8.364   18 
+    620000      124000.00      36.559       9.850      46.409  10.20 0.000   NaN   NaN 1.747     331.685     390.000      13.956   18 
+    630000      126000.00      35.483      -5.101      30.383   5.62 0.286 0.200 0.282 2.484     321.924     390.000       8.839   18 
+    640000      128000.00      34.755      11.131      45.886  11.74 0.000   NaN   NaN 0.980     315.312     390.000      15.139   18 
+    650000      130000.00      33.862       8.187      42.049  11.64 0.071 0.000 0.136 1.618     307.213     390.000      14.998   18 
+    660000      132000.00      47.079      -0.496      46.584  12.58 0.000 1.000 0.227 3.085     427.127     390.000      15.482   18 
+    670000      134000.00      34.902       9.087      43.988   6.29 0.000   NaN   NaN 1.801     316.648     390.000      10.395   18 
+    680000      136000.00      36.440       1.694      38.134   5.38 0.143 0.600 0.273 3.287     330.605     390.000       9.130   18 
+    690000      138000.00      35.634       3.450      39.084   5.49 0.071 0.833 0.265 2.500     323.290     390.000       8.213   18 
+    700000      140000.00      46.592      -3.751      42.841   5.75 0.000 1.000 0.625 1.813     422.706     390.000       8.465   18 
+    710000      142000.00      47.190       4.564      51.754   5.04 0.071 0.000 0.136 1.236     428.134     380.000       9.268   18 
+    720000      144000.00      38.522      -2.249      36.273   7.21 0.000 1.000 0.311 1.058     349.491     380.000       9.843   18 
+    730000      146000.00      30.561       1.302      31.863   4.84 0.071 0.500 0.455 1.285     277.269     380.000       8.982   18 
+    740000      148000.00      31.446      14.756      46.202   6.08 0.071 0.500 0.136 1.411     285.294     380.000      11.388   18 
+    750000      150000.00      38.486       0.916      39.402   5.58 0.000   NaN   NaN 3.327     349.161     380.000       9.999   18 
+    760000      152000.00      41.195       1.548      42.743   9.81 0.000 1.000 0.182 1.402     373.746     380.000      13.246   18 
+    770000      154000.00      36.188      -6.949      29.239   4.23 0.071 0.500 0.386 1.466     328.319     380.000       9.045   18 
+    780000      156000.00      41.765      -1.545      40.220   6.53 0.071 0.000 0.182 1.297     378.912     380.000      11.098   18 
+    790000      158000.00      41.940      -1.990      39.950   9.95 0.071 0.000 0.136 1.858     380.499     380.000      13.242   18 
+    800000      160000.00      43.659       3.651      47.310   5.07 0.143 0.333 0.273 1.464     396.096     380.000       9.195   18 
+    810000      162000.00      38.337       1.051      39.388   7.14 0.071 0.667 0.273 1.168     347.817     370.000      10.507   18 
+    820000      164000.00      47.741       6.595      54.335   7.27 0.000   NaN   NaN 2.552     433.129     370.000      10.123   18 
+    830000      166000.00      33.747       8.139      41.886   7.82 0.000   NaN   NaN 1.691     306.167     370.000      11.745   18 
+    840000      168000.00      46.728     -10.708      36.019   6.80 0.000 1.000 0.295 2.327     423.938     370.000       9.407   18 
+    850000      170000.00      37.777      -8.247      29.529   5.80 0.143 0.500 0.545 1.730     342.730     370.000       8.752   18 
+    860000      172000.00      30.364      -5.271      25.092   9.11 0.000   NaN   NaN 1.545     275.474     370.000      11.959   18 
+    870000      174000.00      33.396      -7.157      26.239   8.86 0.143 0.600 0.227 1.708     302.983     370.000      10.821   18 
+    880000      176000.00      38.654     -11.442      27.212   8.23 0.143 0.500 0.227 1.982     350.688     370.000      10.071   18 
+    890000      178000.00      40.585      -8.011      32.574   5.87 0.143 0.000 0.136 1.951     368.204     370.000       8.148   18 
+    900000      180000.00      44.997      -7.054      37.943   4.88 0.143 0.500 0.273 2.372     408.236     370.000       8.013   18 
+    910000      182000.00      44.910      -7.758      37.152   5.78 0.071 0.750 0.239 3.213     407.447     370.000       7.846   18 
+    920000      184000.00      42.467      -4.084      38.383  11.25 0.071 0.000 0.182 1.180     385.286     370.000      14.108   18 
+    930000      186000.00      38.232       8.771      47.003   9.38 0.000   NaN   NaN 2.158     346.864     370.000      12.990   18 
+    940000      188000.00      36.365      -1.811      34.553   5.60 0.000 1.000 0.682 1.685     329.919     370.000       9.085   18 
+    950000      190000.00      34.397      -4.779      29.618   7.56 0.071 0.500 0.159 1.171     312.065     370.000      10.399   18 
+    960000      192000.00      42.310       5.807      48.117  10.94 0.143 0.000 0.136 1.975     383.860     370.000      14.678   18 
+    970000      194000.00      39.613       4.705      44.319   6.49 0.000 1.000 0.273 1.355     359.393     370.000      11.232   18 
+    980000      196000.00      36.441     -11.365      25.076   8.23 0.000 1.000 0.136 1.327     330.608     370.000      12.330   18 
+    990000      198000.00      35.977      -0.002      35.975   4.45 0.071 0.750 0.341 2.501     326.405     370.000       8.319   18 
+   1000000      200000.00      36.768      -8.108      28.660   5.79 0.143 0.000 0.159 1.707     333.577     370.000      10.112   18 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB019.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB019.stat
index 0048935..037d577 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB019.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB019.stat
@@ -1,101 +1,101 @@
-         0           0.00      28.087      21.268      49.354  12.87 0.000   NaN   NaN 0.936     254.816     290.000      15.552   19 
-     10000        2000.00      22.155     -46.736     -24.581   5.93 0.143 0.833 0.269 1.887     201.002     290.000       7.107   19 
-     20000        4000.00      33.186     -33.822      -0.636   4.54 0.143 0.818 0.438 1.967     301.082     290.000       7.214   19 
-     30000        6000.00      27.772     -28.571      -0.799   8.56 0.143 0.750 0.188 1.285     251.961     290.000       9.737   19 
-     40000        8000.00      36.661     -36.210       0.451   7.83 0.143 0.667 0.220 1.437     332.604     290.000      10.982   19 
-     50000       10000.00      30.491     -20.307      10.183   5.59 0.214 0.571 0.201 0.662     276.629     290.000       7.681   19 
-     60000       12000.00      25.463     -41.705     -16.242   3.80 0.143 0.750 0.358 1.541     231.012     290.000       6.551   19 
-     70000       14000.00      30.857     -38.507      -7.649   3.51 0.357 0.722 0.354 1.221     279.954     290.000       6.471   19 
-     80000       16000.00      28.917     -29.362      -0.445   3.05 0.286 0.600 0.314 1.725     262.349     290.000       6.750   19 
-     90000       18000.00      29.987     -47.530     -17.543   3.82 0.071 0.900 0.341 2.083     272.056     290.000       6.825   19 
-    100000       20000.00      29.520     -26.427       3.092   3.57 0.214 0.667 0.551 1.833     267.817     290.000       7.306   19 
-    110000       22000.00      30.455     -41.367     -10.912   4.88 0.286 0.765 0.390 2.013     276.304     290.000       6.548   19 
-    120000       24000.00      30.536     -33.391      -2.855   3.29 0.357 0.545 0.376 1.804     277.038     290.000       7.044   19 
-    130000       26000.00      27.521     -43.658     -16.137   3.77 0.286 0.600 0.305 1.616     249.682     290.000       6.647   19 
-    140000       28000.00      31.210     -40.823      -9.613   4.56 0.429 0.667 0.293 1.716     283.152     290.000       6.750   19 
-    150000       30000.00      26.406     -49.518     -23.112   2.62 0.143 0.750 0.244 1.307     239.566     290.000       7.228   19 
-    160000       32000.00      36.770     -39.230      -2.460   3.64 0.286 0.556 0.167 1.404     333.598     290.000       7.393   19 
-    170000       34000.00      30.595     -29.273       1.321   2.57 0.286 0.600 0.200 2.109     277.574     290.000       7.241   19 
-    180000       36000.00      23.873     -47.300     -23.427   6.83 0.214 0.700 0.273 0.891     216.588     290.000       7.046   19 
-    190000       38000.00      28.756     -45.117     -16.361   4.90 0.357 0.643 0.276 1.318     260.885     290.000       6.972   19 
-    200000       40000.00      33.047     -46.310     -13.263   5.12 0.357 0.643 0.341 2.000     299.816     290.000       6.652   19 
-    210000       42000.00      27.670     -50.408     -22.738   4.75 0.214 0.812 0.307 1.275     251.040     280.000       6.584   19 
-    220000       44000.00      24.425     -43.465     -19.039   4.55 0.357 0.643 0.305 1.770     221.598     280.000       6.789   19 
-    230000       46000.00      28.639     -50.424     -21.785   6.15 0.071 0.909 0.281 1.391     259.826     280.000       7.503   19 
-    240000       48000.00      24.909     -50.762     -25.854   4.20 0.214 0.812 0.347 1.372     225.985     280.000       7.409   19 
-    250000       50000.00      31.203     -44.237     -13.034   5.53 0.286 0.714 0.334 2.048     283.091     280.000       6.632   19 
-    260000       52000.00      26.234     -42.073     -15.839   5.06 0.214 0.750 0.307 2.195     238.005     280.000       6.708   19 
-    270000       54000.00      27.889     -47.995     -20.106   5.37 0.286 0.500 0.227 3.685     253.025     280.000       6.792   19 
-    280000       56000.00      31.715     -52.453     -20.738   6.54 0.286 0.765 0.332 1.226     287.735     280.000       6.329   19 
-    290000       58000.00      21.126     -50.586     -29.460   4.78 0.143 0.857 0.334 1.279     191.670     280.000       6.715   19 
-    300000       60000.00      30.192     -48.659     -18.466   5.94 0.357 0.643 0.302 1.138     273.919     280.000       6.777   19 
-    310000       62000.00      26.460     -38.921     -12.461   6.63 0.214 0.625 0.284 2.276     240.063     300.000       6.938   19 
-    320000       64000.00      26.125     -30.692      -4.567   6.56 0.214 0.786 0.273 2.161     237.020     300.000       7.581   19 
-    330000       66000.00      28.678     -46.291     -17.613   4.45 0.143 0.800 0.291 1.579     260.178     300.000       7.321   19 
-    340000       68000.00      26.852     -42.766     -15.914   4.77 0.143 0.778 0.394 1.040     243.612     300.000       7.318   19 
-    350000       70000.00      35.139     -28.137       7.003   3.52 0.357 0.500 0.200 0.865     318.804     300.000       6.720   19 
-    360000       72000.00      28.883     -32.422      -3.538   3.85 0.286 0.500 0.301 1.109     262.044     300.000       7.588   19 
-    370000       74000.00      29.341     -31.039      -1.697   3.71 0.214 0.667 0.227 1.006     266.200     300.000       7.634   19 
-    380000       76000.00      38.209     -29.174       9.035   4.62 0.143 0.778 0.273 2.027     346.654     300.000       8.029   19 
-    390000       78000.00      28.290     -36.292      -8.002   5.12 0.286 0.556 0.298 0.959     256.665     300.000       6.977   19 
-    400000       80000.00      19.658     -32.646     -12.987   7.01 0.286 0.667 0.208 0.836     178.350     300.000       7.500   19 
-    410000       82000.00      28.788     -43.455     -14.667   2.25 0.500 0.417 0.330 1.586     261.183     300.000       6.860   19 
-    420000       84000.00      27.551     -34.756      -7.205   6.29 0.286 0.556 0.192 2.441     249.956     300.000       8.057   19 
-    430000       86000.00      25.213     -45.251     -20.038   3.74 0.357 0.500 0.218 1.157     228.741     300.000       8.100   19 
-    440000       88000.00      30.822     -40.948     -10.126   1.98 0.500 0.500 0.305 1.215     279.633     300.000       7.004   19 
-    450000       90000.00      25.738     -40.318     -14.580   2.94 0.357 0.545 0.310 1.854     233.507     300.000       7.242   19 
-    460000       92000.00      23.847     -31.434      -7.587   3.99 0.071 0.800 0.182 1.677     216.351     300.000       8.694   19 
-    470000       94000.00      26.974     -32.758      -5.784   6.71 0.214 0.750 0.292 1.475     244.723     300.000       7.603   19 
-    480000       96000.00      32.655     -47.328     -14.673   3.75 0.429 0.600 0.406 1.873     296.266     300.000       6.781   19 
-    490000       98000.00      29.499     -32.872      -3.373   3.80 0.286 0.600 0.368 1.945     267.631     300.000       7.808   19 
-    500000      100000.00      33.225     -41.159      -7.933   3.38 0.214 0.667 0.338 1.607     301.439     300.000       6.964   19 
-    510000      102000.00      28.168     -33.165      -4.998   3.75 0.143 0.833 0.367 1.661     255.552     290.000       6.423   19 
-    520000      104000.00      23.576     -43.383     -19.807   1.42 0.571 0.500 0.327 1.590     213.897     290.000       6.752   19 
-    530000      106000.00      16.952     -50.867     -33.915   2.44 0.643 0.471 0.321 1.138     153.799     290.000       6.516   19 
-    540000      108000.00      29.442     -40.300     -10.858   3.61 0.429 0.625 0.281 2.299     267.113     290.000       6.798   19 
-    550000      110000.00      26.555     -43.125     -16.570   3.11 0.357 0.583 0.212 1.359     240.920     290.000       6.901   19 
-    560000      112000.00      24.136     -25.162      -1.026   6.56 0.143 0.800 0.177 1.478     218.974     290.000       8.686   19 
-    570000      114000.00      32.156     -52.567     -20.411   4.92 0.214 0.786 0.315 0.954     291.736     290.000       6.924   19 
-    580000      116000.00      35.722     -46.584     -10.862   6.08 0.214 0.769 0.294 1.743     324.092     290.000       6.930   19 
-    590000      118000.00      30.149     -46.260     -16.112   6.29 0.071 0.909 0.306 2.452     273.526     290.000       6.870   19 
-    600000      120000.00      23.730     -39.993     -16.263   7.39 0.143 0.750 0.222 0.834     215.288     290.000       8.025   19 
-    610000      122000.00      23.680     -46.725     -23.046   5.36 0.214 0.800 0.230 1.631     214.835     290.000       7.244   19 
-    620000      124000.00      33.025     -40.580      -7.555   5.91 0.143 0.778 0.207 1.239     299.619     290.000       7.370   19 
-    630000      126000.00      33.542     -42.964      -9.422   4.45 0.286 0.692 0.395 1.409     304.314     290.000       6.941   19 
-    640000      128000.00      29.018     -48.054     -19.036   4.66 0.429 0.500 0.337 2.472     263.263     290.000       7.196   19 
-    650000      130000.00      29.850     -40.878     -11.028   5.51 0.143 0.714 0.201 1.256     270.817     290.000       7.644   19 
-    660000      132000.00      34.499     -38.493      -3.994   5.48 0.286 0.429 0.149 1.788     312.995     290.000       8.557   19 
-    670000      134000.00      25.372     -39.946     -14.574   5.13 0.214 0.769 0.217 1.034     230.189     290.000       7.260   19 
-    680000      136000.00      27.144     -37.408     -10.264   4.44 0.000 1.000 0.419 1.721     246.260     290.000       6.879   19 
-    690000      138000.00      19.754     -38.168     -18.414   5.88 0.143 0.857 0.331 0.542     179.221     290.000       7.226   19 
-    700000      140000.00      27.105     -46.084     -18.978   6.49 0.214 0.700 0.295 1.374     245.914     290.000       6.545   19 
-    710000      142000.00      29.213     -50.259     -21.047   6.17 0.286 0.692 0.353 1.461     265.031     290.000       6.807   19 
-    720000      144000.00      30.480     -55.505     -25.025   6.19 0.071 0.923 0.318 1.136     276.532     290.000       6.605   19 
-    730000      146000.00      31.950     -44.534     -12.584   6.61 0.286 0.692 0.196 1.078     289.869     290.000       6.866   19 
-    740000      148000.00      36.897     -46.113      -9.215   5.92 0.143 0.778 0.354 1.068     334.752     290.000       7.085   19 
-    750000      150000.00      24.759     -52.717     -27.957   4.65 0.214 0.769 0.262 1.797     224.629     290.000       6.560   19 
-    760000      152000.00      29.415     -45.493     -16.078   5.57 0.429 0.571 0.279 1.529     266.872     290.000       6.917   19 
-    770000      154000.00      27.242     -47.840     -20.597   2.65 0.357 0.583 0.193 1.367     247.157     290.000       7.071   19 
-    780000      156000.00      27.908     -33.107      -5.199   2.36 0.500 0.462 0.273 1.787     253.191     290.000       7.078   19 
-    790000      158000.00      25.159     -42.211     -17.052   2.99 0.286 0.556 0.227 2.672     228.256     290.000       6.754   19 
-    800000      160000.00      28.904     -43.894     -14.991   3.99 0.286 0.667 0.345 2.618     262.228     290.000       6.550   19 
-    810000      162000.00      27.409     -56.217     -28.809   2.17 0.643 0.591 0.341 2.225     248.666     290.000       6.400   19 
-    820000      164000.00      32.382     -43.829     -11.447   3.04 0.357 0.706 0.294 1.362     293.782     290.000       6.826   19 
-    830000      166000.00      36.284     -41.208      -4.925   2.53 0.286 0.733 0.288 2.199     329.183     290.000       6.742   19 
-    840000      168000.00      28.074     -48.927     -20.853   3.28 0.429 0.571 0.195 1.762     254.698     290.000       7.392   19 
-    850000      170000.00      23.309     -51.344     -28.036   2.17 0.571 0.333 0.223 1.827     211.468     290.000       6.688   19 
-    860000      172000.00      24.065     -48.478     -24.413   3.45 0.429 0.700 0.316 0.970     218.334     290.000       6.491   19 
-    870000      174000.00      28.309     -42.982     -14.673   2.54 0.286 0.500 0.210 0.728     256.830     290.000       7.168   19 
-    880000      176000.00      28.438     -39.215     -10.776   3.98 0.214 0.769 0.325 1.530     258.007     290.000       7.316   19 
-    890000      178000.00      29.543     -47.131     -17.589   3.14 0.357 0.583 0.269 1.715     268.025     290.000       6.883   19 
-    900000      180000.00      23.831     -47.582     -23.752   1.98 0.429 0.500 0.356 0.790     216.203     290.000       7.038   19 
-    910000      182000.00      25.527     -42.739     -17.213   2.56 0.286 0.556 0.268 2.118     231.592     290.000       6.889   19 
-    920000      184000.00      28.784     -46.540     -17.756   2.70 0.429 0.571 0.347 1.508     261.142     290.000       6.593   19 
-    930000      186000.00      29.296     -56.670     -27.374   2.45 0.357 0.737 0.282 1.877     265.788     290.000       6.346   19 
-    940000      188000.00      32.098     -60.808     -28.709   2.54 0.500 0.632 0.299 1.418     291.211     290.000       6.507   19 
-    950000      190000.00      23.714     -42.792     -19.078   3.02 0.286 0.667 0.280 2.391     215.141     290.000       7.008   19 
-    960000      192000.00      37.804     -42.784      -4.980   3.58 0.357 0.615 0.283 1.304     342.976     290.000       7.034   19 
-    970000      194000.00      28.271     -44.939     -16.669   2.43 0.429 0.571 0.260 2.705     256.485     290.000       6.906   19 
-    980000      196000.00      20.341     -43.993     -23.652   3.28 0.357 0.615 0.318 1.401     184.545     290.000       6.838   19 
-    990000      198000.00      31.647     -39.721      -8.073   5.19 0.429 0.571 0.221 2.126     287.122     290.000       6.892   19 
-   1000000      200000.00      38.033     -40.417      -2.383   3.91 0.357 0.615 0.262 0.837     345.060     290.000       6.986   19 
+         0           0.00      41.827      24.626      66.453  12.87 0.000   NaN   NaN 0.706     379.473     340.000      15.552   19 
+     10000        2000.00      25.965      26.550      52.515   7.84 0.000   NaN   NaN 2.024     235.571     340.000      10.243   19 
+     20000        4000.00      33.643      -0.031      33.612   7.07 0.143 0.333 0.167 2.921     305.228     340.000       9.686   19 
+     30000        6000.00      36.005      -6.133      29.872   5.32 0.000 1.000 0.136 2.535     326.654     340.000       8.340   19 
+     40000        8000.00      32.197       0.991      33.188   5.14 0.000 1.000 0.288 1.173     292.106     340.000       8.830   19 
+     50000       10000.00      42.937      -8.975      33.962   6.07 0.143 0.600 0.418 1.663     389.547     340.000       7.483   19 
+     60000       12000.00      26.235       2.890      29.125   5.96 0.071 0.500 0.159 1.679     238.017     340.000      10.034   19 
+     70000       14000.00      32.652      -8.135      24.517   3.58 0.286 0.600 0.323 1.327     296.232     340.000       7.352   19 
+     80000       16000.00      35.242     -24.783      10.459   4.01 0.143 0.500 0.352 1.254     319.731     340.000       8.171   19 
+     90000       18000.00      41.211      -2.214      38.997   4.29 0.000 1.000 0.182 1.737     373.886     340.000       9.271   19 
+    100000       20000.00      32.175     -17.266      14.909   4.12 0.214 0.750 0.284 1.270     291.909     340.000       7.114   19 
+    110000       22000.00      32.453      -5.201      27.253  12.50 0.000   NaN   NaN 1.500     294.433     330.000      16.436   19 
+    120000       24000.00      31.117     -10.551      20.566   4.53 0.071 0.833 0.303 0.898     282.313     330.000       6.968   19 
+    130000       26000.00      34.896     -25.860       9.036   3.71 0.143 0.750 0.227 1.782     316.597     330.000       7.629   19 
+    140000       28000.00      20.091     -23.083      -2.992   3.95 0.143 0.714 0.377 3.046     182.274     330.000       7.175   19 
+    150000       30000.00      33.948     -17.766      16.182   6.70 0.286 0.429 0.208 2.137     307.993     330.000       9.276   19 
+    160000       32000.00      30.084     -18.305      11.779   4.93 0.071 0.889 0.273 0.995     272.938     330.000       7.662   19 
+    170000       34000.00      47.085      -1.547      45.537   7.70 0.071 0.750 0.170 1.910     427.177     330.000       9.675   19 
+    180000       36000.00      49.815      -2.320      47.495   7.13 0.000 1.000 0.182 4.772     451.948     330.000      11.593   19 
+    190000       38000.00      30.270     -26.889       3.380   5.48 0.143 0.667 0.311 1.153     274.624     330.000       7.904   19 
+    200000       40000.00      39.949      -5.588      34.362   7.28 0.000 1.000 0.318 1.593     362.442     330.000       7.851   19 
+    210000       42000.00      29.160     -18.048      11.112   4.62 0.143 0.333 0.273 1.431     264.555     360.000       8.882   19 
+    220000       44000.00      39.554     -11.263      28.291   5.46 0.071 0.800 0.236 1.859     358.851     360.000       7.686   19 
+    230000       46000.00      35.720       5.224      40.944   5.40 0.000 1.000 0.398 1.189     324.069     360.000       7.674   19 
+    240000       48000.00      32.346       5.018      37.364   9.20 0.071 0.000 0.182 0.977     293.456     360.000      12.028   19 
+    250000       50000.00      33.159       5.888      39.047   5.18 0.214 0.500 0.341 1.564     300.835     360.000       8.490   19 
+    260000       52000.00      45.540       7.822      53.362   4.59 0.071 0.000 0.136 2.475     413.162     360.000       9.634   19 
+    270000       54000.00      32.450      -1.715      30.736   6.80 0.071 0.750 0.205 2.624     294.408     360.000      10.687   19 
+    280000       56000.00      42.416      -7.001      35.415   7.54 0.071 0.800 0.355 2.082     384.822     360.000      10.154   19 
+    290000       58000.00      44.390       1.332      45.722   5.26 0.071 0.833 0.227 1.633     402.729     360.000       7.656   19 
+    300000       60000.00      39.743      -5.785      33.958   4.98 0.143 0.600 0.518 2.006     360.572     360.000       7.117   19 
+    310000       62000.00      45.701     -10.522      35.179   5.81 0.143 0.500 0.398 1.160     414.624     340.000       8.456   19 
+    320000       64000.00      25.984      -4.745      21.239   4.76 0.000 1.000 0.500 2.079     235.736     340.000       8.717   19 
+    330000       66000.00      27.360     -15.602      11.758   6.13 0.071 0.900 0.300 1.589     248.227     340.000       8.049   19 
+    340000       68000.00      32.183      -6.031      26.152  10.37 0.071 0.000 0.182 1.445     291.981     340.000      13.293   19 
+    350000       70000.00      31.673      -7.448      24.225  10.17 0.071 0.000 0.182 1.933     287.357     340.000      12.960   19 
+    360000       72000.00      40.735      -1.326      39.409   6.22 0.000   NaN   NaN 1.341     369.569     340.000      10.617   19 
+    370000       74000.00      32.473       6.742      39.215   6.87 0.071 0.500 0.250 1.279     294.611     340.000       9.749   19 
+    380000       76000.00      47.748      -4.236      43.511   7.43 0.000 1.000 0.227 4.430     433.190     340.000       9.065   19 
+    390000       78000.00      33.122      -7.031      26.091   4.63 0.071 0.500 0.409 0.880     300.500     340.000       8.964   19 
+    400000       80000.00      28.344     -13.578      14.766   7.57 0.071 0.800 0.200 1.185     257.152     340.000      10.152   19 
+    410000       82000.00      43.206      -1.105      42.101   4.83 0.071 0.000 0.136 1.348     391.991     330.000       8.949   19 
+    420000       84000.00      36.597      -6.654      29.943   5.75 0.000 1.000 0.455 3.130     332.030     330.000       9.071   19 
+    430000       86000.00      30.489      -9.596      20.893   5.44 0.071 0.833 0.644 1.638     276.612     330.000       8.455   19 
+    440000       88000.00      33.540     -10.283      23.257   3.85 0.143 0.600 0.491 1.668     304.292     330.000       7.986   19 
+    450000       90000.00      29.225       4.806      34.032   6.26 0.000 1.000 0.443 2.060     265.148     330.000       7.853   19 
+    460000       92000.00      35.043     -10.133      24.909   4.69 0.143 0.778 0.258 2.386     317.925     330.000       7.940   19 
+    470000       94000.00      33.416     -17.055      16.361   6.71 0.143 0.333 0.152 2.186     303.168     330.000      11.151   19 
+    480000       96000.00      35.426     -13.205      22.221   6.92 0.000 1.000 0.227 1.401     321.402     330.000       9.496   19 
+    490000       98000.00      31.845     -12.314      19.531   6.18 0.071 0.500 0.227 1.507     288.914     330.000      10.217   19 
+    500000      100000.00      33.202     -19.757      13.445   4.96 0.214 0.625 0.205 1.075     301.228     330.000       8.548   19 
+    510000      102000.00      35.574      -6.247      29.326   9.29 0.071 0.000 0.136 1.038     322.744     370.000      12.760   19 
+    520000      104000.00      34.674       9.898      44.572   8.87 0.000 1.000 0.273 2.527     314.579     370.000      10.992   19 
+    530000      106000.00      40.554      -3.325      37.228   5.14 0.000 1.000 0.318 2.037     367.926     370.000       8.101   19 
+    540000      108000.00      35.391      -2.433      32.958   6.31 0.071 0.500 0.182 2.330     321.084     370.000      10.265   19 
+    550000      110000.00      35.863      -3.154      32.709   4.71 0.143 0.000 0.341 2.628     325.369     370.000       8.421   19 
+    560000      112000.00      27.645      -6.391      21.253   7.57 0.071 0.000 0.136 0.686     250.807     370.000      11.845   19 
+    570000      114000.00      37.348      -0.630      36.718   6.52 0.143 0.500 0.307 2.469     338.838     370.000       9.022   19 
+    580000      116000.00      32.731       3.116      35.846   4.33 0.071 0.750 0.386 1.126     296.951     370.000       7.736   19 
+    590000      118000.00      40.934      -8.918      32.016   4.96 0.071 0.833 0.379 1.638     371.371     370.000       7.359   19 
+    600000      120000.00      40.582     -18.930      21.652   4.27 0.286 0.500 0.386 1.424     368.180     370.000       7.080   19 
+    610000      122000.00      38.268     -10.460      27.808   6.28 0.000   NaN   NaN 1.124     347.188     350.000      11.107   19 
+    620000      124000.00      33.088      -7.114      25.973   6.88 0.071 0.667 0.197 2.244     300.187     350.000       9.563   19 
+    630000      126000.00      30.694      -2.141      28.553   5.49 0.000 1.000 0.273 1.165     278.476     350.000       9.411   19 
+    640000      128000.00      27.779     -13.570      14.208   4.08 0.000 1.000 0.386 1.497     252.021     350.000       7.446   19 
+    650000      130000.00      27.603     -17.003      10.600   5.29 0.143 0.667 0.500 1.670     250.425     350.000       8.730   19 
+    660000      132000.00      34.748      -8.152      26.596   7.70 0.000 1.000 0.355 1.267     315.251     350.000       9.463   19 
+    670000      134000.00      37.393     -12.426      24.967   5.06 0.143 0.500 0.352 1.346     339.252     350.000       8.843   19 
+    680000      136000.00      34.478       4.431      38.909   5.81 0.000 1.000 0.242 2.347     312.801     350.000       8.110   19 
+    690000      138000.00      36.038      -4.852      31.187   6.31 0.143 0.333 0.182 1.990     326.958     350.000       9.837   19 
+    700000      140000.00      36.122      -3.990      32.133   6.42 0.000 1.000 0.375 1.028     327.720     350.000       8.199   19 
+    710000      142000.00      37.153     -18.548      18.605   5.09 0.143 0.600 0.336 1.075     337.067     340.000       8.953   19 
+    720000      144000.00      38.069     -13.722      24.347   5.26 0.143 0.667 0.409 1.660     345.385     340.000       8.125   19 
+    730000      146000.00      29.513     -19.466      10.047   5.46 0.071 0.857 0.331 1.663     267.760     340.000       7.409   19 
+    740000      148000.00      30.321     -19.349      10.971   5.53 0.214 0.400 0.436 2.187     275.086     340.000       8.253   19 
+    750000      150000.00      30.953      -7.272      23.681   9.87 0.071 0.667 0.182 0.968     280.821     340.000      13.812   19 
+    760000      152000.00      34.405      -3.108      31.297   5.57 0.000 1.000 0.727 2.013     312.140     340.000       9.164   19 
+    770000      154000.00      36.473       1.705      38.178   4.55 0.143 0.500 0.455 1.743     330.899     340.000       8.332   19 
+    780000      156000.00      39.047     -11.222      27.825   8.11 0.143 0.333 0.136 1.368     354.253     340.000       9.709   19 
+    790000      158000.00      32.873      -8.660      24.214   5.65 0.214 0.571 0.169 1.670     298.244     340.000       8.947   19 
+    800000      160000.00      28.306      -9.017      19.289   6.18 0.000 1.000 0.442 1.619     256.808     340.000       7.688   19 
+    810000      162000.00      27.707      -6.070      21.637   7.07 0.071 0.000 0.136 0.622     251.368     340.000      10.392   19 
+    820000      164000.00      31.788      -5.819      25.970   8.26 0.000   NaN   NaN 1.574     288.400     340.000      12.549   19 
+    830000      166000.00      27.899      -3.509      24.390   7.95 0.000 1.000 0.227 2.323     253.112     340.000      10.371   19 
+    840000      168000.00      34.277      -9.632      24.645  10.09 0.071 0.750 0.159 1.130     310.975     340.000      12.354   19 
+    850000      170000.00      31.640       5.796      37.436   6.32 0.000 1.000 0.136 3.031     287.055     340.000       9.495   19 
+    860000      172000.00      28.853       4.578      33.430   6.60 0.000 1.000 0.258 2.110     261.768     340.000      10.837   19 
+    870000      174000.00      38.140      -2.822      35.319  10.34 0.000   NaN   NaN 1.972     346.028     340.000      14.194   19 
+    880000      176000.00      42.795      -7.111      35.684   5.44 0.071 0.857 0.325 1.404     388.260     340.000       7.936   19 
+    890000      178000.00      38.278     -19.827      18.450   5.71 0.214 0.625 0.449 1.728     347.274     340.000       6.816   19 
+    900000      180000.00      37.354     -11.361      25.993   5.63 0.000 1.000 0.432 1.624     338.899     340.000       8.876   19 
+    910000      182000.00      33.237     -21.561      11.676   5.96 0.000 1.000 0.473 2.002     301.545     330.000       7.796   19 
+    920000      184000.00      26.140     -10.733      15.408   4.89 0.143 0.667 0.394 3.831     237.160     330.000       9.207   19 
+    930000      186000.00      34.714     -13.431      21.284   5.62 0.143 0.500 0.170 2.319     314.946     330.000      10.022   19 
+    940000      188000.00      31.164     -18.930      12.235   4.73 0.143 0.778 0.369 1.386     282.738     330.000       7.480   19 
+    950000      190000.00      35.410      -9.885      25.525   6.67 0.143 0.333 0.152 1.336     321.256     330.000      10.825   19 
+    960000      192000.00      30.439      -3.595      26.844   7.29 0.000   NaN   NaN 2.624     276.160     330.000      11.588   19 
+    970000      194000.00      36.696      -8.105      28.592   5.92 0.000 1.000 0.432 2.750     332.929     330.000       9.689   19 
+    980000      196000.00      33.419     -13.706      19.714   6.41 0.143 0.714 0.214 1.564     303.197     330.000      10.657   19 
+    990000      198000.00      32.080     -19.507      12.573   7.81 0.143 0.333 0.152 2.218     291.047     330.000       9.979   19 
+   1000000      200000.00      32.603      -4.691      27.912   7.11 0.071 0.800 0.255 2.071     295.789     330.000       9.655   19 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB020.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB020.stat
index 934abc7..17c885d 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB020.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB020.stat
@@ -1,101 +1,101 @@
-         0           0.00      32.816      21.213      54.029  12.87 0.000   NaN   NaN 0.935     297.722     300.000      15.552   20 
-     10000        2000.00      24.172     -30.465      -6.293   7.37 0.214 0.667 0.202 1.717     219.298     300.000      10.044   20 
-     20000        4000.00      31.376     -39.796      -8.420   5.49 0.214 0.700 0.405 1.490     284.660     300.000       7.067   20 
-     30000        6000.00      28.912     -34.836      -5.924   4.83 0.143 0.750 0.352 1.506     262.306     300.000       7.753   20 
-     40000        8000.00      25.964     -31.196      -5.232   5.32 0.286 0.667 0.299 1.553     235.557     300.000       6.391   20 
-     50000       10000.00      30.750     -34.294      -3.544   4.78 0.286 0.714 0.383 1.625     278.978     300.000       7.374   20 
-     60000       12000.00      26.490     -25.999       0.491   4.82 0.214 0.769 0.392 1.292     240.330     300.000       7.252   20 
-     70000       14000.00      34.026     -49.376     -15.349   2.32 0.500 0.462 0.266 0.905     308.705     300.000       6.540   20 
-     80000       16000.00      29.557     -33.627      -4.070   3.18 0.214 0.667 0.263 1.965     268.157     300.000       6.794   20 
-     90000       18000.00      31.150     -45.169     -14.018   2.36 0.286 0.600 0.214 1.337     282.613     300.000       7.171   20 
-    100000       20000.00      30.395     -38.834      -8.439   3.35 0.143 0.714 0.234 3.379     275.755     300.000       7.313   20 
-    110000       22000.00      28.856     -46.279     -17.423   5.19 0.071 0.900 0.209 1.562     261.792     280.000       6.868   20 
-    120000       24000.00      25.148     -44.381     -19.233   3.44 0.357 0.545 0.310 1.293     228.156     280.000       6.703   20 
-    130000       26000.00      26.736     -40.733     -13.997   2.76 0.571 0.500 0.366 1.041     242.561     280.000       6.607   20 
-    140000       28000.00      26.868     -41.545     -14.677   1.71 0.214 0.700 0.309 1.345     243.761     280.000       6.643   20 
-    150000       30000.00      25.343     -53.635     -28.292   2.39 0.429 0.684 0.301 1.200     229.922     280.000       6.380   20 
-    160000       32000.00      23.913     -48.730     -24.817   3.53 0.500 0.650 0.298 1.445     216.947     280.000       6.536   20 
-    170000       34000.00      29.356     -38.633      -9.277   3.32 0.357 0.583 0.345 1.811     266.333     280.000       7.286   20 
-    180000       36000.00      39.273     -47.573      -8.301   2.19 0.357 0.500 0.205 1.841     356.301     280.000       6.693   20 
-    190000       38000.00      26.555     -47.049     -20.494   2.19 0.429 0.500 0.182 1.027     240.922     280.000       6.866   20 
-    200000       40000.00      21.785     -53.484     -31.699   2.69 0.429 0.600 0.288 1.276     197.643     280.000       6.304   20 
-    210000       42000.00      23.848     -54.902     -31.054   2.40 0.571 0.385 0.255 1.835     216.364     270.000       6.530   20 
-    220000       44000.00      28.672     -42.661     -13.988   2.11 0.571 0.579 0.270 2.594     260.131     270.000       6.602   20 
-    230000       46000.00      27.432     -55.617     -28.185   2.64 0.429 0.538 0.283 1.652     248.875     270.000       6.731   20 
-    240000       48000.00      30.656     -59.117     -28.460   2.12 0.429 0.500 0.265 1.143     278.131     270.000       6.842   20 
-    250000       50000.00      26.741     -49.419     -22.678   2.56 0.429 0.647 0.321 1.458     242.604     270.000       6.378   20 
-    260000       52000.00      26.584     -46.601     -20.017   2.98 0.357 0.375 0.165 1.628     241.184     270.000       7.323   20 
-    270000       54000.00      27.051     -47.856     -20.805   1.96 0.429 0.571 0.244 1.102     245.417     270.000       6.770   20 
-    280000       56000.00      25.284     -54.425     -29.141   3.78 0.214 0.667 0.172 0.989     229.390     270.000       7.902   20 
-    290000       58000.00      33.456     -54.041     -20.585   2.50 0.286 0.714 0.269 1.075     303.532     270.000       6.745   20 
-    300000       60000.00      28.329     -51.627     -23.298   3.13 0.214 0.727 0.178 1.161     257.013     270.000       8.140   20 
-    310000       62000.00      21.462     -65.525     -44.063   1.95 0.571 0.529 0.310 1.559     194.717     250.000       6.577   20 
-    320000       64000.00      19.975     -68.971     -48.996   3.57 0.500 0.611 0.237 1.398     181.225     250.000       6.713   20 
-    330000       66000.00      23.484     -66.209     -42.725   3.59 0.357 0.643 0.198 0.959     213.055     250.000       7.381   20 
-    340000       68000.00      20.352     -59.337     -38.985   3.75 0.357 0.615 0.206 0.778     184.648     250.000       6.654   20 
-    350000       70000.00      20.195     -62.577     -42.383   1.90 0.429 0.625 0.293 1.904     183.218     250.000       6.440   20 
-    360000       72000.00      24.386     -61.700     -37.314   2.58 0.429 0.455 0.186 1.571     221.238     250.000       7.190   20 
-    370000       74000.00      25.019     -63.762     -38.743   1.87 0.429 0.625 0.321 1.120     226.981     250.000       6.515   20 
-    380000       76000.00      17.739     -66.984     -49.246   2.19 0.500 0.611 0.316 1.507     160.935     250.000       6.293   20 
-    390000       78000.00      27.773     -60.078     -32.305   2.36 0.286 0.692 0.266 2.279     251.970     250.000       6.587   20 
-    400000       80000.00      25.372     -67.379     -42.007   2.17 0.357 0.545 0.248 1.219     230.184     250.000       6.607   20 
-    410000       82000.00      24.139     -62.377     -38.238   2.20 0.357 0.643 0.315 1.264     219.000     250.000       6.402   20 
-    420000       84000.00      25.428     -62.857     -37.429   2.29 0.500 0.500 0.221 1.076     230.698     250.000       6.736   20 
-    430000       86000.00      24.064     -59.839     -35.774   2.50 0.357 0.667 0.255 1.462     218.324     250.000       6.629   20 
-    440000       88000.00      22.866     -63.412     -40.546   2.84 0.286 0.667 0.231 1.218     207.454     250.000       6.827   20 
-    450000       90000.00      24.691     -63.563     -38.872   4.93 0.357 0.688 0.386 1.546     224.010     250.000       6.566   20 
-    460000       92000.00      27.654     -54.290     -26.636   5.82 0.214 0.769 0.294 1.796     250.894     250.000       6.638   20 
-    470000       94000.00      27.818     -60.515     -32.698   5.74 0.357 0.667 0.294 2.622     252.376     250.000       6.365   20 
-    480000       96000.00      22.647     -64.159     -41.512   6.08 0.286 0.714 0.305 1.629     205.466     250.000       6.548   20 
-    490000       98000.00      25.486     -53.516     -28.029   6.99 0.429 0.600 0.252 2.436     231.225     250.000       6.778   20 
-    500000      100000.00      27.764     -64.650     -36.885   3.78 0.214 0.812 0.352 1.459     251.894     250.000       6.524   20 
-    510000      102000.00      22.763     -59.036     -36.273   6.30 0.214 0.842 0.299 1.104     206.521     260.000       6.561   20 
-    520000      104000.00      19.985     -55.219     -35.234   5.00 0.357 0.615 0.252 1.031     181.316     260.000       6.830   20 
-    530000      106000.00      28.444     -59.094     -30.650   4.88 0.214 0.824 0.332 1.440     258.059     260.000       6.363   20 
-    540000      108000.00      22.912     -55.160     -32.248   4.14 0.357 0.750 0.284 1.576     207.871     260.000       6.683   20 
-    550000      110000.00      28.639     -65.224     -36.585   5.34 0.429 0.667 0.336 1.047     259.832     260.000       6.563   20 
-    560000      112000.00      25.335     -45.885     -20.550   5.16 0.286 0.500 0.188 1.444     229.855     260.000       7.467   20 
-    570000      114000.00      26.204     -52.131     -25.928   2.56 0.143 0.857 0.295 1.994     237.733     260.000       6.803   20 
-    580000      116000.00      20.791     -64.470     -43.679   2.08 0.500 0.562 0.284 1.876     188.625     260.000       6.522   20 
-    590000      118000.00      24.123     -53.636     -29.513   2.73 0.429 0.538 0.252 1.359     218.853     260.000       6.763   20 
-    600000      120000.00      17.378     -58.497     -41.119   2.04 0.571 0.529 0.273 1.036     157.660     260.000       6.503   20 
-    610000      122000.00      25.211     -63.852     -38.641   2.29 0.429 0.538 0.255 1.705     228.726     260.000       6.744   20 
-    620000      124000.00      19.797     -57.637     -37.840   2.25 0.571 0.467 0.258 1.232     179.611     260.000       6.509   20 
-    630000      126000.00      20.967     -49.947     -28.980   3.64 0.571 0.556 0.202 1.614     190.219     260.000       7.292   20 
-    640000      128000.00      22.443     -49.394     -26.951   1.53 0.429 0.625 0.318 2.967     203.613     260.000       6.741   20 
-    650000      130000.00      31.608     -61.102     -29.494   2.02 0.714 0.333 0.291 1.471     286.765     260.000       6.521   20 
-    660000      132000.00      24.004     -61.901     -37.897   1.75 0.500 0.533 0.291 1.569     217.780     260.000       6.777   20 
-    670000      134000.00      22.955     -59.273     -36.318   2.68 0.500 0.632 0.285 0.713     208.264     260.000       6.822   20 
-    680000      136000.00      31.328     -64.036     -32.708   2.00 0.571 0.600 0.320 1.973     284.222     260.000       6.287   20 
-    690000      138000.00      25.353     -55.402     -30.049   2.59 0.429 0.625 0.290 1.466     230.011     260.000       6.605   20 
-    700000      140000.00      21.196     -56.249     -35.053   6.38 0.429 0.571 0.192 1.856     192.299     260.000       7.165   20 
-    710000      142000.00      25.943     -58.604     -32.661   6.59 0.357 0.688 0.341 1.436     235.369     250.000       6.555   20 
-    720000      144000.00      26.074     -57.948     -31.874   5.80 0.214 0.750 0.208 1.016     236.561     250.000       7.715   20 
-    730000      146000.00      26.577     -66.563     -39.986   2.07 0.429 0.684 0.294 1.145     241.119     250.000       6.532   20 
-    740000      148000.00      23.804     -64.274     -40.470   2.63 0.429 0.625 0.276 1.396     215.966     250.000       6.655   20 
-    750000      150000.00      26.539     -67.085     -40.546   2.19 0.357 0.643 0.266 0.998     240.778     250.000       6.437   20 
-    760000      152000.00      31.311     -57.276     -25.965   1.81 0.429 0.684 0.313 1.511     284.067     250.000       6.621   20 
-    770000      154000.00      23.311     -65.482     -42.171   1.99 0.571 0.556 0.240 1.978     211.491     250.000       6.511   20 
-    780000      156000.00      27.590     -58.607     -31.017   2.95 0.500 0.611 0.288 1.716     250.308     250.000       6.473   20 
-    790000      158000.00      17.119     -56.411     -39.291   2.27 0.500 0.500 0.282 1.275     155.316     250.000       6.571   20 
-    800000      160000.00      19.972     -66.966     -46.994   2.61 0.357 0.615 0.192 0.736     181.192     250.000       6.838   20 
-    810000      162000.00      24.873     -60.950     -36.077   3.27 0.429 0.538 0.227 1.127     225.664     260.000       6.903   20 
-    820000      164000.00      32.167     -51.561     -19.394   1.92 0.500 0.611 0.275 2.682     291.833     260.000       6.883   20 
-    830000      166000.00      26.354     -61.414     -35.060   2.46 0.357 0.688 0.327 2.716     239.095     260.000       6.393   20 
-    840000      168000.00      21.085     -52.864     -31.779   2.80 0.214 0.750 0.277 2.185     191.291     260.000       6.825   20 
-    850000      170000.00      32.136     -59.102     -26.967   2.65 0.500 0.588 0.249 0.873     291.552     260.000       6.782   20 
-    860000      172000.00      24.594     -55.326     -30.732   2.30 0.571 0.619 0.323 2.444     223.130     260.000       6.297   20 
-    870000      174000.00      22.218     -51.650     -29.432   3.09 0.429 0.647 0.278 1.589     201.576     260.000       6.634   20 
-    880000      176000.00      22.762     -73.992     -51.230   2.96 0.571 0.500 0.267 0.991     206.505     260.000       6.346   20 
-    890000      178000.00      20.132     -60.028     -39.896   2.85 0.429 0.625 0.290 0.838     182.651     260.000       6.377   20 
-    900000      180000.00      25.049     -54.724     -29.675   3.15 0.214 0.769 0.259 1.617     227.257     260.000       6.826   20 
-    910000      182000.00      23.896     -57.629     -33.733   2.48 0.500 0.462 0.346 0.641     216.793     260.000       6.424   20 
-    920000      184000.00      24.898     -55.403     -30.505   2.33 0.357 0.643 0.292 1.581     225.888     260.000       6.455   20 
-    930000      186000.00      20.078     -61.334     -41.256   2.49 0.286 0.733 0.297 1.922     182.154     260.000       6.589   20 
-    940000      188000.00      26.148     -60.910     -34.762   2.25 0.571 0.467 0.230 1.470     237.224     260.000       7.112   20 
-    950000      190000.00      34.932     -60.536     -25.605   1.97 0.500 0.588 0.281 2.328     316.917     260.000       6.580   20 
-    960000      192000.00      20.865     -57.742     -36.878   3.23 0.500 0.588 0.377 2.252     189.296     260.000       6.345   20 
-    970000      194000.00      28.799     -54.399     -25.600   4.24 0.143 0.800 0.241 1.858     261.278     260.000       6.899   20 
-    980000      196000.00      27.166     -50.187     -23.021   5.26 0.143 0.833 0.216 2.445     246.464     260.000       7.317   20 
-    990000      198000.00      21.255     -49.007     -27.751   6.24 0.214 0.727 0.202 2.264     192.839     260.000       7.109   20 
-   1000000      200000.00      23.059     -49.702     -26.643   5.20 0.143 0.800 0.214 2.019     209.206     260.000       7.545   20 
+         0           0.00      29.899      24.593      54.492  12.87 0.000   NaN   NaN 0.708     271.263     350.000      15.552   20 
+     10000        2000.00      32.229      -9.347      22.882   6.06 0.000 1.000 0.636 2.124     292.395     350.000       9.469   20 
+     20000        4000.00      35.415      -7.578      27.837   9.40 0.071 0.000 0.136 2.087     321.306     350.000      12.750   20 
+     30000        6000.00      31.689       2.925      34.614   7.89 0.143 0.333 0.152 2.173     287.501     350.000      10.735   20 
+     40000        8000.00      30.540       2.475      33.015   7.73 0.000 1.000 0.250 2.577     277.075     350.000      10.652   20 
+     50000       10000.00      36.192      -9.244      26.947   7.49 0.071 0.500 0.136 1.451     328.350     350.000      10.788   20 
+     60000       12000.00      34.317     -11.998      22.318   5.67 0.000 1.000 0.348 1.110     311.338     350.000       9.955   20 
+     70000       14000.00      27.869      -7.933      19.936   3.82 0.071 0.000 0.727 2.966     252.839     350.000       8.728   20 
+     80000       16000.00      29.989     -21.145       8.845   5.43 0.214 0.500 0.174 1.302     272.079     350.000       7.966   20 
+     90000       18000.00      37.301       3.532      40.832   5.16 0.000 1.000 0.818 1.670     338.411     350.000       8.251   20 
+    100000       20000.00      42.439      -6.595      35.845   4.53 0.143 0.000 0.364 0.970     385.032     350.000       8.344   20 
+    110000       22000.00      23.396      -1.139      22.257   5.44 0.071 0.667 0.152 0.897     212.258     340.000       8.483   20 
+    120000       24000.00      33.157     -13.556      19.600   6.07 0.429 0.455 0.236 1.610     300.815     340.000       7.217   20 
+    130000       26000.00      32.783     -13.990      18.793   5.45 0.071 0.750 0.341 1.430     297.425     340.000       7.803   20 
+    140000       28000.00      35.691     -23.821      11.870   3.37 0.429 0.400 0.309 1.734     323.808     340.000       6.921   20 
+    150000       30000.00      35.698     -22.729      12.969   4.42 0.143 0.600 0.536 1.100     323.870     340.000       7.990   20 
+    160000       32000.00      35.394     -16.527      18.867   4.03 0.214 0.500 0.348 1.227     321.110     340.000       8.135   20 
+    170000       34000.00      38.216       3.805      42.021  10.10 0.000   NaN   NaN 1.953     346.720     340.000      13.096   20 
+    180000       36000.00      31.964     -10.550      21.413   5.99 0.214 0.400 0.164 2.345     289.992     340.000       7.983   20 
+    190000       38000.00      27.786     -19.939       7.847   4.78 0.071 0.000 0.182 2.019     252.089     340.000       9.275   20 
+    200000       40000.00      35.647      -0.402      35.245   5.60 0.071 0.000 0.545 1.949     323.409     340.000       8.870   20 
+    210000       42000.00      31.994     -10.177      21.817   5.69 0.071 0.000 0.182 2.255     290.265     330.000       8.943   20 
+    220000       44000.00      36.670      -0.578      36.092   5.14 0.071 0.667 0.394 1.046     332.686     330.000       8.487   20 
+    230000       46000.00      22.935      -3.213      19.722   5.60 0.143 0.667 0.326 1.458     208.075     330.000       7.786   20 
+    240000       48000.00      40.094     -16.440      23.654   5.66 0.000 1.000 0.487 1.210     363.757     330.000       8.318   20 
+    250000       50000.00      33.763     -14.216      19.547   5.03 0.000 1.000 0.409 1.016     306.315     330.000       8.865   20 
+    260000       52000.00      31.828     -17.194      14.634   4.79 0.143 0.714 0.266 2.315     288.762     330.000       7.169   20 
+    270000       54000.00      43.841      -8.620      35.221   6.99 0.143 0.500 0.182 1.807     397.746     330.000      10.043   20 
+    280000       56000.00      27.149      -5.137      22.012   5.40 0.071 0.750 0.455 1.249     246.309     330.000       8.809   20 
+    290000       58000.00      34.965      -2.860      32.105   4.73 0.143 0.600 0.282 1.816     317.218     330.000       8.532   20 
+    300000       60000.00      40.642     -13.030      27.612   4.55 0.143 0.600 0.382 1.729     368.721     330.000       7.676   20 
+    310000       62000.00      33.392     -30.679       2.714   5.15 0.143 0.750 0.341 2.752     302.951     320.000       7.398   20 
+    320000       64000.00      24.965     -24.825       0.140   3.84 0.143 0.818 0.314 2.538     226.498     320.000       7.030   20 
+    330000       66000.00      34.126     -26.992       7.134   6.69 0.214 0.500 0.167 1.664     309.609     320.000       9.221   20 
+    340000       68000.00      27.212     -17.161      10.051   8.00 0.000 1.000 0.197 1.717     246.881     320.000      10.693   20 
+    350000       70000.00      39.539     -12.182      27.357   5.32 0.071 0.750 0.193 1.642     358.717     320.000       7.810   20 
+    360000       72000.00      29.815     -26.182       3.633   5.40 0.286 0.636 0.256 1.976     270.495     320.000       7.134   20 
+    370000       74000.00      40.683     -14.527      26.155   8.32 0.214 0.571 0.162 1.824     369.095     320.000      11.353   20 
+    380000       76000.00      26.209     -19.235       6.974   5.32 0.214 0.667 0.298 1.783     237.781     320.000       7.051   20 
+    390000       78000.00      30.547     -27.350       3.197   5.11 0.286 0.600 0.341 1.823     277.138     320.000       7.288   20 
+    400000       80000.00      30.102      -7.716      22.385   7.84 0.000 1.000 0.182 1.306     273.098     320.000      11.233   20 
+    410000       82000.00      33.523      -7.771      25.752   6.06 0.000 1.000 0.182 1.064     304.141     340.000       9.899   20 
+    420000       84000.00      37.812      -8.324      29.488   5.44 0.071 0.750 0.261 1.391     343.048     340.000       9.014   20 
+    430000       86000.00      35.458       1.096      36.555   6.76 0.000 1.000 0.227 2.911     321.696     340.000       8.045   20 
+    440000       88000.00      27.896      -7.121      20.775   3.55 0.143 0.500 0.159 2.618     253.083     340.000       8.627   20 
+    450000       90000.00      38.796      -1.878      36.917   5.88 0.214 0.400 0.155 1.420     351.973     340.000       9.111   20 
+    460000       92000.00      45.571       1.958      47.529   7.15 0.071 0.667 0.197 1.716     413.442     340.000      10.773   20 
+    470000       94000.00      29.173     -11.697      17.476   7.69 0.143 0.000 0.159 1.490     264.673     340.000      11.745   20 
+    480000       96000.00      34.278     -11.977      22.301   5.78 0.071 0.875 0.426 1.980     310.991     340.000       7.507   20 
+    490000       98000.00      32.286     -10.468      21.818   5.01 0.214 0.400 0.282 2.102     292.917     340.000       8.784   20 
+    500000      100000.00      38.118     -17.567      20.551   4.95 0.357 0.500 0.400 0.717     345.824     340.000       7.200   20 
+    510000      102000.00      31.988     -14.625      17.363  11.05 0.071 0.000 0.136 2.772     290.212     330.000      15.023   20 
+    520000      104000.00      27.868     -10.902      16.966   5.21 0.000 1.000 0.303 2.222     252.833     330.000       7.294   20 
+    530000      106000.00      27.274      -3.122      24.152   6.67 0.143 0.600 0.264 1.469     247.446     330.000       7.733   20 
+    540000      108000.00      35.970     -15.188      20.782   4.51 0.071 0.875 0.472 1.665     326.339     330.000       7.260   20 
+    550000      110000.00      30.617     -11.825      18.792   4.41 0.000 1.000 0.338 1.362     277.776     330.000       7.558   20 
+    560000      112000.00      29.260     -10.002      19.259   5.58 0.071 0.800 0.282 1.878     265.465     330.000       8.598   20 
+    570000      114000.00      24.930      -6.128      18.802   9.10 0.000   NaN   NaN 1.555     226.177     330.000      12.001   20 
+    580000      116000.00      33.867     -16.196      17.671   5.18 0.143 0.600 0.336 1.409     307.259     330.000       7.685   20 
+    590000      118000.00      26.022     -23.202       2.821   5.07 0.143 0.667 0.303 1.941     236.088     330.000       7.405   20 
+    600000      120000.00      27.242     -15.866      11.376   5.97 0.143 0.667 0.220 1.906     247.155     330.000       8.649   20 
+    610000      122000.00      32.184       6.439      38.623  10.06 0.143 0.333 0.136 1.957     291.988     330.000      13.615   20 
+    620000      124000.00      34.428     -12.372      22.056   7.40 0.071 0.500 0.159 1.458     312.348     330.000       9.608   20 
+    630000      126000.00      26.573     -24.527       2.047   6.42 0.143 0.846 0.490 0.915     241.087     330.000       7.030   20 
+    640000      128000.00      30.664     -27.236       3.428   4.22 0.286 0.600 0.368 1.033     278.196     330.000       7.210   20 
+    650000      130000.00      38.604     -25.652      12.952   4.46 0.286 0.600 0.368 1.217     350.232     330.000       7.560   20 
+    660000      132000.00      29.289      -6.458      22.831   7.07 0.071 0.500 0.205 1.578     265.724     330.000      10.175   20 
+    670000      134000.00      38.636      -1.078      37.558   6.04 0.071 0.667 0.212 2.021     350.530     330.000       9.138   20 
+    680000      136000.00      25.482     -12.718      12.764   6.25 0.143 0.500 0.261 2.075     231.187     330.000       7.576   20 
+    690000      138000.00      33.328      -5.713      27.614   6.88 0.000 1.000 0.295 2.790     302.367     330.000       8.874   20 
+    700000      140000.00      32.111     -10.386      21.725   6.69 0.071 0.667 0.197 1.904     291.328     330.000      11.162   20 
+    710000      142000.00      22.535     -19.050       3.485   6.52 0.214 0.500 0.182 1.020     204.448     320.000       8.982   20 
+    720000      144000.00      26.267     -22.893       3.374   5.43 0.071 0.750 0.307 1.409     238.305     320.000       8.001   20 
+    730000      146000.00      34.766     -10.139      24.626   5.42 0.000 1.000 0.422 1.155     315.412     320.000       7.785   20 
+    740000      148000.00      32.242     -25.509       6.732   5.45 0.214 0.571 0.221 1.977     292.513     320.000       7.934   20 
+    750000      150000.00      26.228     -23.205       3.023   5.44 0.286 0.636 0.339 2.096     237.955     320.000       6.898   20 
+    760000      152000.00      25.868     -37.548     -11.681   4.86 0.286 0.692 0.339 1.616     234.684     320.000       6.959   20 
+    770000      154000.00      26.637     -17.504       9.133   5.95 0.000 1.000 0.159 1.673     241.666     320.000       7.750   20 
+    780000      156000.00      25.302     -17.066       8.236   5.06 0.286 0.333 0.144 1.202     229.553     320.000      10.046   20 
+    790000      158000.00      35.137     -24.907      10.230   3.59 0.214 0.667 0.258 1.273     318.779     320.000       7.681   20 
+    800000      160000.00      32.821     -18.243      14.577   5.38 0.214 0.625 0.466 1.895     297.765     320.000       7.263   20 
+    810000      162000.00      26.813     -18.592       8.221   5.63 0.071 0.889 0.409 0.965     243.261     300.000       8.420   20 
+    820000      164000.00      32.703     -22.101      10.602   5.95 0.071 0.800 0.391 1.131     296.698     300.000       8.872   20 
+    830000      166000.00      22.523     -16.219       6.304   4.17 0.214 0.571 0.338 1.139     204.343     300.000       7.510   20 
+    840000      168000.00      30.722     -40.272      -9.550   4.18 0.286 0.600 0.318 2.036     278.730     300.000       7.653   20 
+    850000      170000.00      29.618     -25.956       3.662   4.72 0.071 0.889 0.434 0.776     268.713     300.000       7.307   20 
+    860000      172000.00      30.044     -24.194       5.850   5.29 0.143 0.714 0.312 2.653     272.575     300.000       8.161   20 
+    870000      174000.00      26.485     -14.373      12.112   5.23 0.143 0.818 0.326 1.534     240.289     300.000       7.796   20 
+    880000      176000.00      30.985     -25.468       5.517   5.33 0.071 0.889 0.480 1.500     281.111     300.000       6.859   20 
+    890000      178000.00      23.594     -39.752     -16.158   5.63 0.286 0.667 0.333 1.214     214.058     300.000       6.629   20 
+    900000      180000.00      28.796     -28.097       0.699   3.29 0.286 0.556 0.268 1.543     261.255     300.000       7.445   20 
+    910000      182000.00      27.277     -24.559       2.718   5.12 0.143 0.778 0.323 1.833     247.467     310.000       7.589   20 
+    920000      184000.00      38.209     -28.776       9.432   5.29 0.214 0.625 0.307 1.187     346.649     310.000       7.345   20 
+    930000      186000.00      34.461     -24.088      10.373   5.29 0.357 0.375 0.176 1.848     312.648     310.000       9.249   20 
+    940000      188000.00      32.609      -5.505      27.103   8.41 0.143 0.600 0.227 2.743     295.841     310.000      11.182   20 
+    950000      190000.00      25.866     -21.518       4.347   4.77 0.071 0.857 0.383 2.375     234.665     310.000       8.536   20 
+    960000      192000.00      31.356     -27.064       4.292   3.62 0.143 0.818 0.372 2.050     284.481     310.000       7.437   20 
+    970000      194000.00      30.482     -16.073      14.408   4.05 0.143 0.778 0.419 1.717     276.544     310.000       7.784   20 
+    980000      196000.00      32.445     -11.135      21.310   4.58 0.286 0.600 0.209 1.231     294.360     310.000       6.785   20 
+    990000      198000.00      34.234     -21.347      12.886   6.74 0.071 0.833 0.424 1.936     310.586     310.000       7.517   20 
+   1000000      200000.00      27.654      -8.527      19.127   7.01 0.214 0.500 0.167 1.548     250.889     310.000      10.004   20 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB021.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB021.stat
index 2e5b1ce..cddc347 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB021.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB021.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.650      21.213      51.863  12.87 0.000   NaN   NaN 0.935     278.069     300.000      15.552   21 
-     10000        2000.00      31.924     -41.048      -9.124   5.83 0.286 0.600 0.309 1.316     289.629     300.000       6.669   21 
-     20000        4000.00      27.615     -36.702      -9.086   5.08 0.143 0.778 0.480 0.643     250.541     300.000       7.075   21 
-     30000        6000.00      31.358     -26.148       5.210   3.65 0.214 0.700 0.382 1.583     284.499     300.000       7.165   21 
-     40000        8000.00      29.189     -48.221     -19.033   4.22 0.429 0.600 0.279 1.591     264.813     300.000       6.770   21 
-     50000       10000.00      34.621     -30.142       4.480   2.79 0.286 0.429 0.318 1.246     314.104     300.000       7.671   21 
-     60000       12000.00      26.108     -38.389     -12.281   6.89 0.071 0.917 0.314 2.521     236.865     300.000       7.016   21 
-     70000       14000.00      28.413     -34.880      -6.467   5.37 0.429 0.250 0.170 1.413     257.778     300.000       9.129   21 
-     80000       16000.00      27.567     -48.188     -20.621   6.31 0.143 0.833 0.352 2.286     250.103     300.000       6.582   21 
-     90000       18000.00      31.234     -37.006      -5.772   5.98 0.214 0.667 0.318 1.970     283.368     300.000       6.820   21 
-    100000       20000.00      29.955     -43.043     -13.089   6.31 0.214 0.824 0.283 1.749     271.763     300.000       6.791   21 
-    110000       22000.00      24.362     -51.268     -26.906   5.59 0.286 0.714 0.331 1.306     221.023     290.000       6.496   21 
-    120000       24000.00      22.856     -26.858      -4.001   5.01 0.214 0.571 0.370 2.497     207.366     290.000       6.900   21 
-    130000       26000.00      36.734     -40.321      -3.588   6.21 0.214 0.625 0.210 2.566     333.268     290.000       7.262   21 
-    140000       28000.00      25.549     -51.549     -25.999   5.91 0.357 0.583 0.265 2.297     231.795     290.000       6.590   21 
-    150000       30000.00      32.986     -48.397     -15.411   5.13 0.286 0.714 0.357 2.824     299.263     290.000       6.646   21 
-    160000       32000.00      28.090     -44.859     -16.769   4.29 0.143 0.778 0.364 0.631     254.850     290.000       7.065   21 
-    170000       34000.00      35.274     -34.523       0.751   4.11 0.143 0.714 0.234 1.363     320.025     290.000       7.444   21 
-    180000       36000.00      23.581     -37.409     -13.828   5.54 0.143 0.778 0.263 1.966     213.938     290.000       8.591   21 
-    190000       38000.00      36.892     -44.638      -7.746   3.32 0.214 0.667 0.247 4.793     334.705     290.000       7.750   21 
-    200000       40000.00      29.038     -38.265      -9.228   3.43 0.286 0.750 0.344 2.109     263.446     290.000       6.615   21 
-    210000       42000.00      24.670     -43.888     -19.218   2.45 0.429 0.667 0.242 1.394     223.820     290.000       6.497   21 
-    220000       44000.00      26.789     -40.057     -13.268   3.01 0.286 0.667 0.295 1.426     243.046     290.000       7.424   21 
-    230000       46000.00      24.687     -46.038     -21.351   4.00 0.286 0.714 0.390 1.830     223.973     290.000       7.082   21 
-    240000       48000.00      19.029     -45.122     -26.094   3.00 0.429 0.538 0.210 1.477     172.637     290.000       7.462   21 
-    250000       50000.00      33.476     -38.879      -5.403   6.67 0.071 0.833 0.220 1.532     303.710     290.000       7.950   21 
-    260000       52000.00      29.205     -52.777     -23.572   6.70 0.214 0.667 0.212 1.351     264.967     290.000       7.923   21 
-    270000       54000.00      29.502     -39.633     -10.132   6.98 0.357 0.615 0.276 1.458     267.655     290.000       6.971   21 
-    280000       56000.00      29.873     -41.037     -11.163   3.62 0.429 0.647 0.222 2.566     271.024     290.000       7.214   21 
-    290000       58000.00      30.699     -30.712      -0.013   5.64 0.357 0.444 0.177 1.669     278.521     290.000       7.919   21 
-    300000       60000.00      34.485     -37.000      -2.514   6.36 0.214 0.727 0.248 2.062     312.867     290.000       7.113   21 
-    310000       62000.00      24.578     -55.399     -30.821   2.85 0.357 0.583 0.189 1.123     222.987     280.000       7.571   21 
-    320000       64000.00      30.378     -30.010       0.368   4.21 0.214 0.700 0.218 1.761     275.609     280.000       7.719   21 
-    330000       66000.00      24.126     -46.323     -22.197   5.80 0.429 0.455 0.161 0.746     218.882     280.000       7.907   21 
-    340000       68000.00      27.080     -53.186     -26.106   3.26 0.429 0.647 0.281 1.562     245.688     280.000       6.640   21 
-    350000       70000.00      26.631     -53.199     -26.568   3.06 0.429 0.667 0.318 1.482     241.612     280.000       6.573   21 
-    360000       72000.00      24.817     -47.014     -22.197   2.17 0.571 0.529 0.310 1.594     225.152     280.000       6.707   21 
-    370000       74000.00      30.720     -44.762     -14.043   2.93 0.500 0.611 0.311 1.606     278.705     280.000       6.427   21 
-    380000       76000.00      28.920     -48.700     -19.779   3.88 0.357 0.545 0.211 1.766     262.380     280.000       7.682   21 
-    390000       78000.00      27.843     -53.173     -25.329   3.77 0.214 0.750 0.242 1.767     252.609     280.000       7.350   21 
-    400000       80000.00      24.252     -51.599     -27.347   4.39 0.214 0.824 0.382 0.758     220.025     280.000       6.732   21 
-    410000       82000.00      24.229     -46.036     -21.807   3.71 0.357 0.643 0.373 1.987     219.816     280.000       7.062   21 
-    420000       84000.00      34.682     -31.940       2.742   3.83 0.071 0.750 0.193 1.854     314.651     280.000       7.875   21 
-    430000       86000.00      29.053     -45.083     -16.030   2.41 0.429 0.500 0.330 1.409     263.581     280.000       6.467   21 
-    440000       88000.00      27.906     -57.890     -29.984   2.17 0.643 0.526 0.323 1.521     253.177     280.000       6.477   21 
-    450000       90000.00      29.373     -43.900     -14.527   2.42 0.500 0.462 0.360 1.874     266.489     280.000       6.908   21 
-    460000       92000.00      24.446     -40.052     -15.606   3.07 0.429 0.571 0.292 1.677     221.784     280.000       6.907   21 
-    470000       94000.00      25.630     -50.063     -24.433   2.21 0.571 0.467 0.261 1.409     232.532     280.000       6.573   21 
-    480000       96000.00      30.348     -39.423      -9.075   3.35 0.214 0.727 0.289 1.279     275.330     280.000       7.067   21 
-    490000       98000.00      30.912     -53.648     -22.736   5.74 0.214 0.786 0.253 1.262     280.454     280.000       6.971   21 
-    500000      100000.00      28.528     -53.012     -24.483   5.74 0.214 0.800 0.239 0.738     258.823     280.000       6.573   21 
-    510000      102000.00      26.527     -52.568     -26.041   2.58 0.286 0.600 0.195 1.888     240.665     280.000       6.885   21 
-    520000      104000.00      27.483     -47.604     -20.120   2.60 0.286 0.667 0.174 1.068     249.341     280.000       7.530   21 
-    530000      106000.00      30.232     -49.078     -18.845   2.61 0.286 0.556 0.288 2.170     274.283     280.000       6.849   21 
-    540000      108000.00      26.279     -48.883     -22.604   6.07 0.214 0.750 0.269 0.904     238.421     280.000       7.067   21 
-    550000      110000.00      25.952     -38.788     -12.837   6.27 0.143 0.818 0.248 0.669     235.446     280.000       7.220   21 
-    560000      112000.00      30.787     -46.061     -15.274   5.97 0.214 0.786 0.354 1.400     279.314     280.000       6.833   21 
-    570000      114000.00      23.581     -49.520     -25.940   5.05 0.357 0.615 0.231 1.374     213.937     280.000       6.579   21 
-    580000      116000.00      28.757     -56.585     -27.829   6.04 0.286 0.750 0.304 0.951     260.894     280.000       6.672   21 
-    590000      118000.00      25.716     -52.596     -26.880   2.54 0.357 0.722 0.356 2.486     233.312     280.000       6.424   21 
-    600000      120000.00      29.935     -41.982     -12.047   1.86 0.429 0.400 0.305 1.785     271.586     280.000       6.639   21 
-    610000      122000.00      26.378     -34.762      -8.384   2.36 0.357 0.615 0.318 1.405     239.315     310.000       6.927   21 
-    620000      124000.00      31.689     -36.588      -4.899   2.81 0.286 0.692 0.220 2.515     287.497     310.000       6.997   21 
-    630000      126000.00      33.779     -40.334      -6.555   3.92 0.429 0.647 0.385 2.424     306.464     310.000       6.732   21 
-    640000      128000.00      28.116     -28.688      -0.572   7.08 0.214 0.625 0.205 2.563     255.087     310.000       7.787   21 
-    650000      130000.00      30.208     -22.245       7.963   3.86 0.071 0.889 0.379 2.591     274.060     310.000       7.474   21 
-    660000      132000.00      32.293     -36.754      -4.461   4.38 0.286 0.667 0.345 1.807     292.976     310.000       6.861   21 
-    670000      134000.00      29.276     -48.167     -18.891   3.69 0.500 0.588 0.412 1.049     265.611     310.000       7.080   21 
-    680000      136000.00      23.950     -41.734     -17.784   3.55 0.214 0.750 0.439 1.065     217.283     310.000       6.835   21 
-    690000      138000.00      33.934     -40.920      -6.986   3.22 0.357 0.615 0.444 0.907     307.867     310.000       6.717   21 
-    700000      140000.00      31.241     -39.523      -8.283   4.16 0.357 0.583 0.348 2.858     283.433     310.000       7.100   21 
-    710000      142000.00      34.860     -35.551      -0.691   3.79 0.357 0.667 0.370 1.870     316.272     320.000       6.908   21 
-    720000      144000.00      32.290     -25.338       6.952   5.75 0.143 0.714 0.208 2.320     292.951     320.000       7.843   21 
-    730000      146000.00      31.123     -26.081       5.041   6.44 0.071 0.875 0.364 1.959     282.360     320.000       7.587   21 
-    740000      148000.00      29.651     -35.088      -5.437   3.06 0.286 0.556 0.217 1.594     269.007     320.000       7.611   21 
-    750000      150000.00      37.270     -16.854      20.416   9.23 0.143 0.500 0.136 1.069     338.133     320.000      11.996   21 
-    760000      152000.00      31.612     -24.719       6.894   7.62 0.143 0.600 0.182 2.129     286.804     320.000      10.911   21 
-    770000      154000.00      28.004     -33.022      -5.017   4.00 0.286 0.600 0.395 1.714     254.070     320.000       7.275   21 
-    780000      156000.00      29.505     -25.848       3.657   3.69 0.286 0.429 0.325 1.313     267.681     320.000       7.142   21 
-    790000      158000.00      28.032     -44.797     -16.765   3.00 0.429 0.571 0.331 0.795     254.318     320.000       7.146   21 
-    800000      160000.00      29.027     -31.710      -2.683   6.98 0.214 0.667 0.192 1.326     263.345     320.000       7.625   21 
-    810000      162000.00      27.606     -29.409      -1.803   6.17 0.143 0.800 0.259 3.435     250.456     310.000       7.276   21 
-    820000      164000.00      25.778     -34.205      -8.427   6.23 0.071 0.833 0.212 1.452     233.874     310.000       7.596   21 
-    830000      166000.00      36.586     -38.559      -1.972   5.35 0.357 0.688 0.310 2.429     331.930     310.000       6.647   21 
-    840000      168000.00      39.914     -21.595      18.319   6.36 0.214 0.625 0.233 2.751     362.124     310.000       7.272   21 
-    850000      170000.00      36.882     -25.915      10.967   5.85 0.214 0.786 0.224 1.162     334.615     310.000       7.174   21 
-    860000      172000.00      31.093     -36.584      -5.491   5.59 0.214 0.625 0.392 1.351     282.096     310.000       7.260   21 
-    870000      174000.00      37.418     -36.284       1.134   4.37 0.286 0.750 0.312 1.621     339.473     310.000       6.994   21 
-    880000      176000.00      32.688     -37.420      -4.732   3.89 0.143 0.750 0.347 1.523     296.565     310.000       7.465   21 
-    890000      178000.00      35.366     -38.937      -3.571   4.66 0.286 0.714 0.357 2.107     320.858     310.000       7.254   21 
-    900000      180000.00      33.202     -33.699      -0.498   4.60 0.286 0.778 0.351 2.236     301.221     310.000       6.611   21 
-    910000      182000.00      27.373     -22.685       4.688   6.20 0.214 0.571 0.234 2.759     248.343     310.000       8.063   21 
-    920000      184000.00      31.779     -34.683      -2.904   4.27 0.286 0.429 0.182 0.843     288.319     310.000       8.651   21 
-    930000      186000.00      32.396     -27.051       5.345   4.19 0.143 0.800 0.236 1.404     293.917     310.000       6.970   21 
-    940000      188000.00      33.026     -19.761      13.265   3.60 0.286 0.692 0.402 1.789     299.631     310.000       6.978   21 
-    950000      190000.00      25.557     -28.097      -2.540   3.60 0.357 0.667 0.309 3.452     231.867     310.000       7.187   21 
-    960000      192000.00      38.145     -29.827       8.318   7.51 0.286 0.556 0.192 3.552     346.069     310.000       8.050   21 
-    970000      194000.00      33.983     -33.194       0.789   3.92 0.286 0.500 0.347 1.852     308.309     310.000       6.846   21 
-    980000      196000.00      33.474     -40.799      -7.325   3.15 0.500 0.533 0.255 1.087     303.697     310.000       6.459   21 
-    990000      198000.00      29.767     -39.015      -9.248   3.06 0.357 0.643 0.302 3.410     270.063     310.000       6.737   21 
-   1000000      200000.00      33.857     -43.904     -10.047   1.96 0.357 0.615 0.255 2.451     307.165     310.000       6.685   21 
+         0           0.00      37.270      24.593      61.862  12.87 0.000   NaN   NaN 0.708     338.128     350.000      15.552   21 
+     10000        2000.00      37.135       5.306      42.441   4.99 0.143 0.600 0.191 2.104     336.908     350.000       8.270   21 
+     20000        4000.00      30.314     -11.935      18.379   4.57 0.000 1.000 0.398 1.096     275.021     350.000       7.556   21 
+     30000        6000.00      28.788       6.080      34.867  11.56 0.000   NaN   NaN 1.510     261.177     350.000      15.965   21 
+     40000        8000.00      25.721      -5.934      19.787   5.39 0.000 1.000 0.420 1.552     233.355     350.000       9.440   21 
+     50000       10000.00      34.249      -7.054      27.195   7.61 0.000 1.000 0.318 2.164     310.722     350.000       9.861   21 
+     60000       12000.00      34.285     -12.195      22.090   6.58 0.071 0.750 0.375 1.966     311.051     350.000       8.056   21 
+     70000       14000.00      35.042      -2.624      32.418  10.67 0.143 0.333 0.167 2.913     317.921     350.000      13.966   21 
+     80000       16000.00      30.002      -8.624      21.378   6.91 0.071 0.750 0.420 1.530     272.191     350.000       7.766   21 
+     90000       18000.00      41.072       3.506      44.578   8.42 0.071 0.667 0.136 1.957     372.626     350.000      12.442   21 
+    100000       20000.00      29.626       2.299      31.925   6.49 0.071 0.000 0.182 1.647     268.778     350.000      10.238   21 
+    110000       22000.00      41.840       4.314      46.154  11.77 0.000   NaN   NaN 2.198     379.594     400.000      14.665   21 
+    120000       24000.00      43.019      -8.186      34.833   5.64 0.000 1.000 0.273 2.087     390.290     400.000       9.497   21 
+    130000       26000.00      35.692       9.238      44.930   7.15 0.000   NaN   NaN 3.318     323.816     400.000      11.516   21 
+    140000       28000.00      51.419      -0.839      50.580  10.55 0.000 1.000 0.273 2.501     466.501     400.000      13.303   21 
+    150000       30000.00      47.240       0.267      47.507   8.17 0.071 0.500 0.182 1.129     428.590     400.000      12.706   21 
+    160000       32000.00      50.668      11.911      62.578   8.05 0.000 1.000 0.182 1.749     459.684     400.000      10.787   21 
+    170000       34000.00      42.682       3.918      46.600   7.40 0.000 1.000 0.167 1.919     387.233     400.000      10.776   21 
+    180000       36000.00      39.966      -0.989      38.977   8.18 0.000 1.000 0.136 1.818     362.594     400.000      10.900   21 
+    190000       38000.00      35.831       0.363      36.195   7.21 0.286 0.200 0.200 1.395     325.079     400.000       8.711   21 
+    200000       40000.00      30.664      -9.145      21.518   4.53 0.143 0.500 0.534 3.825     278.198     400.000       9.156   21 
+    210000       42000.00      36.428       1.047      37.475   7.86 0.071 0.667 0.227 1.948     330.494     400.000       9.554   21 
+    220000       44000.00      34.392      -0.689      33.703   6.64 0.143 0.000 0.136 2.316     312.020     400.000       8.814   21 
+    230000       46000.00      38.096       3.961      42.057  10.77 0.071 0.000 0.136 2.376     345.628     400.000      14.614   21 
+    240000       48000.00      51.952      -3.137      48.814   8.39 0.071 0.000 0.136 1.848     471.333     400.000      12.996   21 
+    250000       50000.00      48.517       9.866      58.383  11.96 0.000   NaN   NaN 1.756     440.169     400.000      15.834   21 
+    260000       52000.00      43.569       2.742      46.312   5.03 0.000 1.000 0.527 1.841     395.283     400.000       7.756   21 
+    270000       54000.00      39.015       9.436      48.451   6.36 0.000   NaN   NaN 2.750     353.965     400.000      10.410   21 
+    280000       56000.00      42.232      -2.646      39.585   4.75 0.071 0.500 0.455 2.211     383.146     400.000       9.257   21 
+    290000       58000.00      37.287      -1.427      35.860   6.67 0.071 0.750 0.205 0.960     338.290     400.000       8.877   21 
+    300000       60000.00      34.141       5.361      39.502  10.28 0.000   NaN   NaN 2.798     309.745     400.000      14.774   21 
+    310000       62000.00      40.295      -2.148      38.147   6.10 0.071 0.800 0.318 1.507     365.578     400.000       8.138   21 
+    320000       64000.00      44.840      -0.180      44.660   4.54 0.357 0.375 0.318 1.317     406.812     400.000       8.704   21 
+    330000       66000.00      44.895      15.261      60.156  11.35 0.000   NaN   NaN 2.157     407.307     400.000      14.882   21 
+    340000       68000.00      40.986      -0.177      40.808   8.13 0.071 0.500 0.182 0.965     371.844     400.000      11.348   21 
+    350000       70000.00      37.636      15.762      53.397   8.40 0.143 0.600 0.182 1.353     341.449     400.000      11.081   21 
+    360000       72000.00      34.133       1.627      35.761   6.67 0.000   NaN   NaN 2.467     309.675     400.000      10.289   21 
+    370000       74000.00      38.340       8.489      46.829   6.78 0.000 1.000 0.182 1.823     347.837     400.000      10.632   21 
+    380000       76000.00      42.030       4.778      46.809   7.76 0.000 1.000 0.227 3.024     381.322     400.000      11.856   21 
+    390000       78000.00      35.256       2.882      38.138   4.64 0.071 0.667 0.212 1.242     319.863     400.000       9.325   21 
+    400000       80000.00      42.162       6.501      48.662   5.36 0.000 1.000 0.182 2.696     382.512     400.000       9.229   21 
+    410000       82000.00      39.406      -7.785      31.621   8.62 0.071 0.667 0.197 1.865     357.510     400.000      11.586   21 
+    420000       84000.00      45.772       3.348      49.120   5.26 0.071 0.500 0.159 1.837     415.266     400.000       8.996   21 
+    430000       86000.00      34.748      -2.024      32.724   5.38 0.000 1.000 0.523 0.890     315.256     400.000       8.998   21 
+    440000       88000.00      38.915      10.247      49.162   8.84 0.071 0.500 0.205 2.329     353.061     400.000      11.069   21 
+    450000       90000.00      43.195      -2.831      40.364   6.42 0.000   NaN   NaN 1.329     391.886     400.000      10.836   21 
+    460000       92000.00      40.065      -1.763      38.302   6.03 0.000 1.000 0.591 3.378     363.492     400.000       9.163   21 
+    470000       94000.00      35.281      10.050      45.331   6.68 0.000   NaN   NaN 2.707     320.087     400.000      10.511   21 
+    480000       96000.00      39.818       0.090      39.908   7.86 0.000 1.000 0.205 1.030     361.249     400.000      10.167   21 
+    490000       98000.00      30.031     -15.288      14.743   7.21 0.000 1.000 0.264 2.487     272.454     400.000       9.006   21 
+    500000      100000.00      31.978       5.065      37.044   6.33 0.071 0.750 0.261 2.558     290.125     400.000       9.191   21 
+    510000      102000.00      41.191       0.591      41.782   5.64 0.000 1.000 0.523 2.170     373.706     390.000       8.955   21 
+    520000      104000.00      42.624      11.945      54.570   5.37 0.000 1.000 0.409 1.780     386.710     390.000       9.321   21 
+    530000      106000.00      34.607       4.345      38.952   5.44 0.000 1.000 0.394 0.787     313.973     390.000       8.401   21 
+    540000      108000.00      37.639       7.473      45.111   8.19 0.000   NaN   NaN 1.780     341.477     390.000      11.912   21 
+    550000      110000.00      37.946      -3.022      34.924  10.76 0.071 0.000 0.136 2.757     344.269     390.000      13.308   21 
+    560000      112000.00      42.198      -4.135      38.062   6.46 0.143 0.667 0.424 0.908     382.838     390.000       7.874   21 
+    570000      114000.00      36.147      -5.961      30.185   5.44 0.000 1.000 0.500 0.903     327.941     390.000       8.416   21 
+    580000      116000.00      35.053      -2.862      32.191   7.51 0.071 0.500 0.159 2.047     318.022     390.000      11.399   21 
+    590000      118000.00      46.002       7.968      53.971   6.00 0.071 0.667 0.409 2.629     417.357     390.000       8.275   21 
+    600000      120000.00      30.337     -10.349      19.989   4.63 0.143 0.500 0.182 1.589     275.237     390.000       8.027   21 
+    610000      122000.00      44.636       1.574      46.210  12.48 0.000   NaN   NaN 0.716     404.959     380.000      16.227   21 
+    620000      124000.00      41.458      -6.193      35.266   7.40 0.000   NaN   NaN 2.171     376.132     380.000      10.782   21 
+    630000      126000.00      31.163      -7.496      23.667   6.08 0.143 0.333 0.258 1.524     282.726     380.000       7.849   21 
+    640000      128000.00      41.830      -8.411      33.419   9.75 0.000   NaN   NaN 2.335     379.508     380.000      12.904   21 
+    650000      130000.00      43.996       6.469      50.465  10.75 0.000 1.000 0.136 3.775     399.151     380.000      14.359   21 
+    660000      132000.00      36.618      10.904      47.522   5.29 0.000   NaN   NaN 2.304     332.220     380.000       8.596   21 
+    670000      134000.00      43.968      -1.100      42.867   7.16 0.000 1.000 0.295 1.350     398.896     380.000      10.566   21 
+    680000      136000.00      37.878      -2.903      34.976   5.13 0.000 1.000 0.409 1.262     343.653     380.000       7.897   21 
+    690000      138000.00      33.706      -8.165      25.540   6.08 0.071 0.500 0.205 1.951     305.797     380.000       8.732   21 
+    700000      140000.00      44.617       3.410      48.026   6.11 0.071 0.667 0.288 2.769     404.786     380.000       9.708   21 
+    710000      142000.00      42.066       8.699      50.766   7.06 0.000 1.000 0.227 2.099     381.648     360.000       9.349   21 
+    720000      144000.00      36.528      -4.138      32.390   8.04 0.000 1.000 0.273 2.591     331.401     360.000      12.372   21 
+    730000      146000.00      37.656      -3.771      33.885   5.45 0.071 0.667 0.212 0.776     341.632     360.000       9.063   21 
+    740000      148000.00      31.862       2.091      33.953   5.62 0.000 1.000 0.250 2.792     289.068     360.000       8.818   21 
+    750000      150000.00      30.089      14.974      45.063  12.24 0.000   NaN   NaN 4.159     272.987     360.000      15.765   21 
+    760000      152000.00      38.964      -8.337      30.627   5.49 0.071 0.833 0.303 2.873     353.504     360.000       7.854   21 
+    770000      154000.00      35.886      -4.613      31.272   8.02 0.214 0.571 0.201 0.876     325.575     360.000      10.302   21 
+    780000      156000.00      32.962       3.103      36.065   5.46 0.143 0.500 0.193 0.992     299.049     360.000       9.642   21 
+    790000      158000.00      36.295      -5.398      30.897   5.78 0.000 1.000 0.182 1.125     329.288     360.000       9.580   21 
+    800000      160000.00      36.032       8.222      44.254   5.52 0.000   NaN   NaN 1.623     326.901     360.000       9.164   21 
+    810000      162000.00      38.766      -2.232      36.534   8.79 0.143 0.333 0.197 0.783     351.709     400.000      11.572   21 
+    820000      164000.00      40.350       7.051      47.401   9.06 0.000 1.000 0.136 2.917     366.078     400.000      13.390   21 
+    830000      166000.00      48.175       9.832      58.007   4.16 0.143 0.333 0.212 1.567     437.072     400.000       8.745   21 
+    840000      168000.00      37.205       1.349      38.554   5.51 0.000 1.000 0.255 1.932     337.539     400.000       9.374   21 
+    850000      170000.00      39.364       7.610      46.974   7.53 0.000 1.000 0.455 1.523     357.129     400.000       9.468   21 
+    860000      172000.00      38.298       7.510      45.808   6.21 0.000 1.000 0.364 2.324     347.459     400.000      10.853   21 
+    870000      174000.00      34.414       3.987      38.401   6.89 0.071 0.000 0.136 1.701     312.218     400.000      10.388   21 
+    880000      176000.00      49.600      -5.837      43.763   6.63 0.000 1.000 0.409 1.607     449.997     400.000      11.054   21 
+    890000      178000.00      35.551       2.851      38.403  10.00 0.000   NaN   NaN 2.165     322.540     400.000      14.366   21 
+    900000      180000.00      34.396      10.950      45.347   9.91 0.000   NaN   NaN 1.906     312.061     400.000      13.204   21 
+    910000      182000.00      48.402      -1.694      46.708  10.55 0.071 0.500 0.182 2.553     439.129     400.000      13.227   21 
+    920000      184000.00      41.533       7.891      49.425  11.80 0.000 1.000 0.182 1.463     376.810     400.000      14.941   21 
+    930000      186000.00      40.224       9.812      50.036  10.98 0.000   NaN   NaN 1.112     364.930     400.000      14.522   21 
+    940000      188000.00      35.667       5.638      41.305   4.89 0.000 1.000 0.818 1.935     323.594     400.000       8.106   21 
+    950000      190000.00      40.197       3.100      43.297  10.63 0.000   NaN   NaN 2.147     364.692     400.000      13.499   21 
+    960000      192000.00      46.433      -0.127      46.306   5.18 0.000 1.000 0.568 2.095     421.267     400.000       9.123   21 
+    970000      194000.00      47.277       8.325      55.602   7.19 0.143 0.600 0.245 3.553     428.918     400.000      10.334   21 
+    980000      196000.00      37.907       6.028      43.934   5.84 0.143 0.667 0.258 1.815     343.908     400.000       8.392   21 
+    990000      198000.00      43.313       6.034      49.347  11.00 0.000   NaN   NaN 1.286     392.959     400.000      14.389   21 
+   1000000      200000.00      38.781       6.691      45.472   7.35 0.071 0.000 0.136 2.983     351.840     400.000      12.072   21 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB022.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB022.stat
index da2f111..ef5ed62 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB022.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB022.stat
@@ -1,101 +1,101 @@
-         0           0.00      32.911      21.213      54.124  12.87 0.000   NaN   NaN 0.935     298.582     300.000      15.552   22 
-     10000        2000.00      22.319     -36.774     -14.456   5.83 0.286 0.600 0.214 1.250     202.485     300.000       7.641   22 
-     20000        4000.00      33.945     -41.898      -7.953   3.54 0.143 0.846 0.360 1.157     307.968     300.000       7.020   22 
-     30000        6000.00      25.223     -36.910     -11.687   7.12 0.286 0.600 0.236 1.781     228.837     300.000       7.044   22 
-     40000        8000.00      33.278     -35.906      -2.629   4.28 0.357 0.706 0.257 3.207     301.912     300.000       6.526   22 
-     50000       10000.00      24.646     -42.539     -17.893   4.68 0.214 0.750 0.402 0.938     223.599     300.000       7.483   22 
-     60000       12000.00      29.694     -19.484      10.210   5.20 0.214 0.667 0.237 1.211     269.397     300.000       8.317   22 
-     70000       14000.00      33.296     -33.745      -0.449   4.67 0.214 0.769 0.399 1.647     302.074     300.000       7.446   22 
-     80000       16000.00      26.134     -22.184       3.949   6.95 0.143 0.818 0.343 2.427     237.099     300.000       7.987   22 
-     90000       18000.00      34.977     -35.076      -0.098   7.18 0.143 0.800 0.309 2.724     317.334     300.000       6.944   22 
-    100000       20000.00      27.547     -39.534     -11.987   5.14 0.214 0.667 0.217 0.889     249.921     300.000       7.889   22 
-    110000       22000.00      29.108     -24.978       4.130   7.22 0.214 0.625 0.210 1.176     264.079     300.000       7.962   22 
-    120000       24000.00      20.783     -41.634     -20.851   6.35 0.286 0.600 0.209 2.263     188.551     300.000       7.823   22 
-    130000       26000.00      28.497     -41.037     -12.539   4.52 0.286 0.733 0.376 1.500     258.543     300.000       6.455   22 
-    140000       28000.00      32.364     -37.316      -4.952   3.36 0.214 0.571 0.234 0.983     293.624     300.000       7.040   22 
-    150000       30000.00      29.674     -22.760       6.914   5.30 0.357 0.286 0.169 1.249     269.216     300.000       8.577   22 
-    160000       32000.00      30.756     -39.276      -8.520   2.64 0.500 0.364 0.240 2.189     279.031     300.000       7.110   22 
-    170000       34000.00      27.619     -47.118     -19.499   3.34 0.429 0.600 0.412 1.569     250.575     300.000       6.546   22 
-    180000       36000.00      29.159     -30.913      -1.754   3.22 0.214 0.667 0.323 1.604     264.548     300.000       7.081   22 
-    190000       38000.00      31.101     -46.007     -14.906   3.78 0.500 0.632 0.380 1.403     282.164     300.000       6.374   22 
-    200000       40000.00      30.972     -49.341     -18.370   2.42 0.429 0.600 0.203 1.632     280.990     300.000       6.996   22 
-    210000       42000.00      27.142     -25.958       1.184   6.33 0.143 0.714 0.221 1.871     246.248     300.000       7.186   22 
-    220000       44000.00      26.214     -39.174     -12.959   4.93 0.286 0.600 0.173 1.304     237.831     300.000       7.692   22 
-    230000       46000.00      30.620     -35.045      -4.425   5.65 0.143 0.750 0.256 3.182     277.801     300.000       6.796   22 
-    240000       48000.00      33.564     -30.771       2.793   9.17 0.143 0.667 0.174 1.597     304.511     300.000      11.792   22 
-    250000       50000.00      35.519     -29.650       5.870   6.93 0.143 0.600 0.164 1.290     322.250     300.000      10.898   22 
-    260000       52000.00      26.589     -37.087     -10.498   4.84 0.357 0.583 0.193 2.340     241.228     300.000       7.436   22 
-    270000       54000.00      26.157     -47.283     -21.126   3.60 0.357 0.688 0.366 1.141     237.312     300.000       6.814   22 
-    280000       56000.00      23.897     -40.222     -16.325   4.46 0.214 0.700 0.205 2.130     216.805     300.000       7.958   22 
-    290000       58000.00      25.382     -44.087     -18.706   4.13 0.357 0.500 0.223 0.755     230.274     300.000       7.410   22 
-    300000       60000.00      34.745     -39.816      -5.071   3.89 0.214 0.727 0.310 0.912     315.225     300.000       6.802   22 
-    310000       62000.00      26.595     -39.865     -13.270   2.01 0.643 0.400 0.224 1.870     241.282     280.000       6.885   22 
-    320000       64000.00      26.167     -54.382     -28.215   3.57 0.286 0.692 0.297 0.991     237.398     280.000       6.391   22 
-    330000       66000.00      23.725     -52.585     -28.860   3.09 0.357 0.643 0.338 1.675     215.243     280.000       6.666   22 
-    340000       68000.00      26.782     -42.029     -15.247   2.30 0.500 0.364 0.223 2.698     242.979     280.000       7.163   22 
-    350000       70000.00      22.494     -41.129     -18.635   4.10 0.214 0.700 0.259 1.743     204.076     280.000       8.407   22 
-    360000       72000.00      26.077     -44.726     -18.649   5.08 0.214 0.769 0.266 2.106     236.583     280.000       6.932   22 
-    370000       74000.00      39.549     -43.591      -4.042   5.15 0.357 0.615 0.325 2.706     358.809     280.000       6.751   22 
-    380000       76000.00      30.861     -40.365      -9.504   4.10 0.214 0.625 0.205 2.214     279.988     280.000       6.923   22 
-    390000       78000.00      26.986     -45.067     -18.080   5.34 0.286 0.714 0.328 1.918     244.834     280.000       7.137   22 
-    400000       80000.00      31.672     -53.637     -21.965   5.15 0.286 0.778 0.399 1.825     287.343     280.000       6.739   22 
-    410000       82000.00      31.949     -62.124     -30.175   5.03 0.214 0.824 0.428 1.142     289.858     260.000       6.554   22 
-    420000       84000.00      22.970     -51.103     -28.133   4.12 0.286 0.733 0.248 1.024     208.394     260.000       6.984   22 
-    430000       86000.00      23.852     -52.799     -28.947   3.55 0.357 0.583 0.186 1.966     216.398     260.000       7.786   22 
-    440000       88000.00      19.121     -48.404     -29.283   1.94 0.286 0.733 0.264 1.136     173.474     260.000       6.812   22 
-    450000       90000.00      20.974     -54.221     -33.246   2.50 0.286 0.667 0.269 2.095     190.291     260.000       6.753   22 
-    460000       92000.00      27.508     -58.136     -30.628   2.70 0.286 0.636 0.207 1.194     249.564     260.000       6.696   22 
-    470000       94000.00      29.326     -61.313     -31.987   2.95 0.429 0.600 0.230 2.914     266.065     260.000       7.083   22 
-    480000       96000.00      24.375     -61.142     -36.767   2.03 0.714 0.500 0.291 1.647     221.140     260.000       6.434   22 
-    490000       98000.00      24.137     -62.805     -38.668   2.54 0.500 0.632 0.325 1.492     218.987     260.000       6.249   22 
-    500000      100000.00      30.779     -61.500     -30.721   2.81 0.357 0.706 0.286 1.185     279.244     260.000       6.366   22 
-    510000      102000.00      24.760     -66.167     -41.407   2.54 0.500 0.650 0.309 1.757     224.634     250.000       6.259   22 
-    520000      104000.00      23.564     -61.372     -37.808   2.19 0.429 0.647 0.273 0.904     213.785     250.000       6.476   22 
-    530000      106000.00      27.911     -62.146     -34.235   1.99 0.429 0.625 0.304 1.699     253.226     250.000       6.505   22 
-    540000      108000.00      24.758     -60.661     -35.904   5.27 0.286 0.692 0.210 1.366     224.613     250.000       7.387   22 
-    550000      110000.00      24.917     -56.184     -31.266   5.61 0.286 0.636 0.215 1.674     226.063     250.000       7.933   22 
-    560000      112000.00      27.580     -78.337     -50.756   5.40 0.214 0.824 0.235 2.198     250.222     250.000       6.940   22 
-    570000      114000.00      24.150     -68.621     -44.472   6.04 0.214 0.750 0.231 1.764     219.100     250.000       7.146   22 
-    580000      116000.00      28.999     -57.960     -28.961   4.54 0.286 0.733 0.212 3.879     263.098     250.000       7.133   22 
-    590000      118000.00      24.261     -54.898     -30.637   5.30 0.429 0.667 0.230 1.948     220.109     250.000       6.804   22 
-    600000      120000.00      24.362     -56.331     -31.969   4.77 0.214 0.786 0.234 1.869     221.026     250.000       7.262   22 
-    610000      122000.00      24.990     -64.147     -39.157   5.82 0.214 0.727 0.186 1.957     226.722     250.000       7.854   22 
-    620000      124000.00      28.247     -69.476     -41.228   3.44 0.357 0.643 0.188 1.297     256.276     250.000       6.990   22 
-    630000      126000.00      27.451     -65.309     -37.858   1.95 0.571 0.579 0.349 2.144     249.050     250.000       6.378   22 
-    640000      128000.00      27.248     -58.668     -31.420   2.69 0.286 0.714 0.269 1.775     247.211     250.000       6.765   22 
-    650000      130000.00      32.097     -65.766     -33.670   2.05 0.714 0.565 0.340 1.398     291.198     250.000       6.447   22 
-    660000      132000.00      28.643     -64.190     -35.547   2.52 0.571 0.636 0.310 0.950     259.865     250.000       6.700   22 
-    670000      134000.00      27.516     -60.091     -32.574   2.64 0.286 0.714 0.318 1.445     249.641     250.000       6.876   22 
-    680000      136000.00      29.504     -65.644     -36.141   2.69 0.571 0.467 0.215 2.396     267.673     250.000       6.800   22 
-    690000      138000.00      26.959     -63.519     -36.560   2.72 0.357 0.615 0.259 1.692     244.584     250.000       6.759   22 
-    700000      140000.00      22.600     -67.031     -44.431   2.70 0.500 0.650 0.307 1.402     205.041     250.000       6.283   22 
-    710000      142000.00      28.917     -63.713     -34.796   1.95 0.357 0.688 0.281 0.944     262.352     260.000       6.481   22 
-    720000      144000.00      26.910     -56.514     -29.605   2.20 0.357 0.583 0.250 1.950     244.140     260.000       6.579   22 
-    730000      146000.00      24.532     -59.328     -34.795   2.64 0.429 0.600 0.255 0.765     222.570     260.000       6.535   22 
-    740000      148000.00      31.220     -66.185     -34.965   2.38 0.643 0.526 0.361 2.053     283.248     260.000       6.190   22 
-    750000      150000.00      23.543     -60.001     -36.458   2.46 0.429 0.647 0.238 1.110     213.592     260.000       6.567   22 
-    760000      152000.00      26.371     -61.866     -35.495   2.54 0.643 0.550 0.280 2.062     239.250     260.000       6.567   22 
-    770000      154000.00      28.181     -57.331     -29.150   2.67 0.429 0.625 0.273 2.123     255.673     260.000       6.693   22 
-    780000      156000.00      25.847     -55.372     -29.525   2.19 0.643 0.526 0.292 2.359     234.499     260.000       6.516   22 
-    790000      158000.00      26.090     -66.291     -40.202   2.73 0.643 0.591 0.291 1.628     236.698     260.000       6.207   22 
-    800000      160000.00      24.298     -50.894     -26.596   2.73 0.643 0.591 0.368 1.561     220.444     260.000       6.539   22 
-    810000      162000.00      21.713     -62.101     -40.388   2.51 0.571 0.600 0.325 2.021     196.991     260.000       6.196   22 
-    820000      164000.00      18.826     -61.221     -42.395   2.83 0.571 0.579 0.287 2.412     170.801     260.000       6.486   22 
-    830000      166000.00      19.980     -66.494     -46.514   2.93 0.571 0.600 0.314 0.775     181.271     260.000       6.408   22 
-    840000      168000.00      19.649     -65.873     -46.224   2.55 0.429 0.625 0.295 1.142     178.267     260.000       6.743   22 
-    850000      170000.00      21.682     -59.549     -37.867   2.47 0.500 0.696 0.368 1.292     196.709     260.000       6.417   22 
-    860000      172000.00      29.545     -65.995     -36.450   2.25 0.429 0.700 0.361 0.399     268.047     260.000       6.354   22 
-    870000      174000.00      18.719     -61.531     -42.813   2.79 0.357 0.722 0.222 0.879     169.828     260.000       6.760   22 
-    880000      176000.00      26.278     -62.150     -35.872   3.39 0.214 0.786 0.305 1.101     238.404     260.000       6.581   22 
-    890000      178000.00      23.533     -59.605     -36.072   2.69 0.357 0.706 0.265 2.064     213.501     260.000       6.557   22 
-    900000      180000.00      28.569     -56.762     -28.193   3.02 0.429 0.667 0.316 3.091     259.194     260.000       6.602   22 
-    910000      182000.00      24.774     -40.636     -15.862   3.62 0.429 0.538 0.343 1.478     224.763     270.000       6.524   22 
-    920000      184000.00      26.338     -55.152     -28.815   2.28 0.357 0.688 0.335 2.572     238.949     270.000       6.488   22 
-    930000      186000.00      28.970     -51.507     -22.537   4.04 0.143 0.857 0.263 2.178     262.829     270.000       6.940   22 
-    940000      188000.00      29.753     -53.715     -23.963   3.69 0.214 0.800 0.358 2.804     269.932     270.000       6.498   22 
-    950000      190000.00      31.763     -56.483     -24.720   3.57 0.286 0.750 0.307 1.536     288.171     270.000       6.560   22 
-    960000      192000.00      28.776     -49.808     -21.031   3.05 0.286 0.692 0.231 2.256     261.074     270.000       6.719   22 
-    970000      194000.00      27.117     -50.276     -23.159   3.68 0.286 0.692 0.353 1.808     246.024     270.000       6.759   22 
-    980000      196000.00      22.862     -57.588     -34.726   2.53 0.643 0.550 0.307 1.223     207.419     270.000       6.293   22 
-    990000      198000.00      32.211     -58.359     -26.148   2.22 0.643 0.438 0.241 1.027     292.236     270.000       6.603   22 
-   1000000      200000.00      23.693     -48.335     -24.641   3.28 0.357 0.583 0.193 1.460     214.959     270.000       7.312   22 
+         0           0.00      34.684      24.569      59.253  12.87 0.000   NaN   NaN 0.709     314.670     360.000      15.552   22 
+     10000        2000.00      30.318       4.633      34.951   5.49 0.000 1.000 0.227 1.298     275.059     360.000       8.524   22 
+     20000        4000.00      33.535       0.013      33.548   8.61 0.000   NaN   NaN 1.050     304.244     360.000      12.361   22 
+     30000        6000.00      33.066     -13.259      19.808   5.09 0.143 0.750 0.261 1.832     299.996     360.000       7.569   22 
+     40000        8000.00      36.542     -13.955      22.586   6.83 0.071 0.857 0.331 2.265     331.525     360.000       8.089   22 
+     50000       10000.00      37.397      -7.271      30.125   5.84 0.000 1.000 0.282 2.036     339.282     360.000       8.686   22 
+     60000       12000.00      32.631       1.302      33.933   6.76 0.071 0.000 0.136 1.516     296.047     360.000      11.283   22 
+     70000       14000.00      39.304      -5.403      33.901   6.39 0.214 0.000 0.197 1.896     356.588     360.000      10.439   22 
+     80000       16000.00      27.533      -4.002      23.531   4.76 0.214 0.250 0.182 1.781     249.791     360.000       9.034   22 
+     90000       18000.00      29.374       5.776      35.150   7.00 0.071 0.000 0.136 1.651     266.498     360.000      11.832   22 
+    100000       20000.00      31.870      -6.728      25.142   5.74 0.071 0.750 0.159 1.553     289.137     360.000       8.043   22 
+    110000       22000.00      33.589     -16.966      16.623   7.05 0.143 0.500 0.205 1.280     304.741     350.000       8.406   22 
+    120000       24000.00      30.989     -12.911      18.078   4.54 0.000 1.000 0.305 1.561     281.144     350.000       8.580   22 
+    130000       26000.00      39.090       3.805      42.895   4.62 0.143 0.333 0.424 2.340     354.645     350.000       8.751   22 
+    140000       28000.00      35.526       2.782      38.308   5.32 0.071 0.750 0.307 2.014     322.313     350.000       8.804   22 
+    150000       30000.00      38.702      11.046      49.747   9.10 0.000   NaN   NaN 1.149     351.123     350.000      13.475   22 
+    160000       32000.00      25.519     -10.018      15.501   8.78 0.000 1.000 0.212 1.830     231.522     350.000      11.819   22 
+    170000       34000.00      39.286     -15.385      23.901   6.37 0.143 0.500 0.148 2.342     356.424     350.000       8.124   22 
+    180000       36000.00      32.319      -3.033      29.286   5.38 0.071 0.750 0.170 1.892     293.216     350.000       8.493   22 
+    190000       38000.00      29.488      -9.812      19.676   9.17 0.143 0.000 0.182 1.318     267.530     350.000      12.208   22 
+    200000       40000.00      38.340       6.161      44.501  11.30 0.071 0.500 0.136 2.883     347.839     350.000      14.339   22 
+    210000       42000.00      36.936      -0.366      36.570  10.69 0.000   NaN   NaN 1.755     335.107     390.000      14.090   22 
+    220000       44000.00      35.606       2.799      38.405   9.39 0.071 0.750 0.159 1.428     323.035     390.000      11.488   22 
+    230000       46000.00      42.220      -2.272      39.948   7.52 0.071 0.750 0.182 1.178     383.043     390.000      10.236   22 
+    240000       48000.00      40.341       9.046      49.387   7.05 0.071 0.500 0.159 1.276     365.994     390.000      11.751   22 
+    250000       50000.00      36.265       0.751      37.016   5.47 0.000 1.000 0.443 1.337     329.017     390.000       8.751   22 
+    260000       52000.00      30.381       7.956      38.337   9.19 0.071 0.667 0.258 2.127     275.628     390.000      11.293   22 
+    270000       54000.00      38.085       0.747      38.832   5.94 0.143 0.600 0.173 1.791     345.528     390.000       7.447   22 
+    280000       56000.00      32.621       5.173      37.794   7.04 0.071 0.667 0.182 1.453     295.956     390.000      11.093   22 
+    290000       58000.00      39.141       0.313      39.454   6.84 0.000   NaN   NaN 1.536     355.105     390.000      11.524   22 
+    300000       60000.00      36.147      -0.731      35.416  10.18 0.143 0.000 0.159 0.948     327.943     390.000      13.980   22 
+    310000       62000.00      35.216       5.184      40.400   3.91 0.143 0.500 0.307 3.259     319.501     380.000       7.842   22 
+    320000       64000.00      46.589       4.452      51.041  12.60 0.000   NaN   NaN 1.651     422.679     380.000      16.155   22 
+    330000       66000.00      42.236      13.558      55.794   9.74 0.000   NaN   NaN 3.100     383.186     380.000      13.576   22 
+    340000       68000.00      43.551       4.154      47.705   8.43 0.000 1.000 0.182 1.287     395.113     380.000      10.680   22 
+    350000       70000.00      38.991       9.224      48.215  11.68 0.071 0.000 0.136 3.017     353.744     380.000      14.386   22 
+    360000       72000.00      32.731      -0.727      32.005   6.30 0.000 1.000 0.386 2.891     296.957     380.000       8.584   22 
+    370000       74000.00      36.967      -2.289      34.678   5.19 0.071 0.500 0.591 1.593     335.385     380.000       8.472   22 
+    380000       76000.00      33.407      -6.392      27.015   6.59 0.143 0.333 0.152 2.457     303.088     380.000      10.352   22 
+    390000       78000.00      46.033      -9.143      36.890   8.00 0.000 1.000 0.424 1.572     417.639     380.000       7.266   22 
+    400000       80000.00      38.944       3.940      42.884  11.62 0.000   NaN   NaN 3.214     353.323     380.000      14.700   22 
+    410000       82000.00      36.832      -6.483      30.349   8.26 0.000   NaN   NaN 1.955     334.157     380.000      11.668   22 
+    420000       84000.00      34.978      -7.364      27.614   4.76 0.286 0.636 0.244 2.516     317.339     380.000       7.550   22 
+    430000       86000.00      36.194      10.899      47.093   6.21 0.071 0.500 0.136 1.825     328.367     380.000      10.409   22 
+    440000       88000.00      49.980       3.178      53.158   8.67 0.000 1.000 0.273 1.732     453.446     380.000      12.873   22 
+    450000       90000.00      32.906       4.398      37.303   5.46 0.000   NaN   NaN 2.274     298.538     380.000       9.526   22 
+    460000       92000.00      38.334       4.055      42.389   5.58 0.000 1.000 0.424 1.891     347.783     380.000       9.825   22 
+    470000       94000.00      29.693     -10.602      19.090   6.24 0.143 0.333 0.273 1.994     269.387     380.000       8.897   22 
+    480000       96000.00      31.430      -4.241      27.188   4.71 0.071 0.667 0.348 1.116     285.147     380.000       7.817   22 
+    490000       98000.00      41.985     -12.851      29.134   9.53 0.143 0.333 0.167 2.034     380.910     380.000      12.583   22 
+    500000      100000.00      38.718       4.334      43.052   5.43 0.143 0.600 0.609 1.644     351.266     380.000       7.335   22 
+    510000      102000.00      31.474      -9.763      21.711   5.73 0.071 0.750 0.443 1.522     285.545     370.000       7.610   22 
+    520000      104000.00      38.305      13.854      52.159   6.62 0.071 0.667 0.167 1.767     347.524     370.000       9.418   22 
+    530000      106000.00      44.710      -8.939      35.772   4.38 0.214 0.400 0.318 1.440     405.636     370.000       8.915   22 
+    540000      108000.00      34.332       0.390      34.722   6.43 0.000 1.000 0.250 2.300     311.476     370.000      10.619   22 
+    550000      110000.00      39.684      -4.271      35.413   8.40 0.000   NaN   NaN 1.312     360.030     370.000      10.181   22 
+    560000      112000.00      42.878      -0.269      42.609   6.75 0.000 1.000 0.227 2.504     389.014     370.000      11.014   22 
+    570000      114000.00      40.003      -6.049      33.954   8.55 0.071 0.667 0.167 1.469     362.927     370.000      11.652   22 
+    580000      116000.00      36.503      -5.010      31.493   5.12 0.000 1.000 0.470 2.101     331.170     370.000       9.235   22 
+    590000      118000.00      36.216     -13.146      23.069   6.92 0.143 0.714 0.279 3.897     328.567     370.000       7.602   22 
+    600000      120000.00      34.751      -6.417      28.334   5.98 0.071 0.000 0.136 2.899     315.278     370.000       8.055   22 
+    610000      122000.00      30.921       1.613      32.534   7.36 0.000 1.000 0.288 1.950     280.530     370.000       9.194   22 
+    620000      124000.00      51.176       5.514      56.691   6.98 0.000 1.000 0.227 0.962     464.297     370.000      11.632   22 
+    630000      126000.00      32.815      -3.590      29.225   7.26 0.000 1.000 0.159 1.414     297.711     370.000       9.756   22 
+    640000      128000.00      45.175     -10.954      34.221  12.30 0.000 1.000 0.136 1.789     409.847     370.000      15.421   22 
+    650000      130000.00      44.246       3.372      47.618   5.49 0.000   NaN   NaN 1.041     401.418     370.000      10.224   22 
+    660000      132000.00      34.038       0.613      34.652  10.08 0.000 1.000 0.182 2.611     308.813     370.000      14.093   22 
+    670000      134000.00      39.018       7.262      46.280   9.05 0.000 1.000 0.136 3.382     353.993     370.000      12.555   22 
+    680000      136000.00      41.762       8.943      50.705   5.55 0.000 1.000 0.573 2.364     378.884     370.000       9.062   22 
+    690000      138000.00      27.757       5.662      33.419  10.03 0.071 0.500 0.159 1.606     251.825     370.000      13.377   22 
+    700000      140000.00      35.305      -3.823      31.482   7.46 0.071 0.000 0.182 1.743     320.301     370.000      10.782   22 
+    710000      142000.00      30.548      19.561      50.109   9.39 0.000 1.000 0.205 4.433     277.145     370.000      11.595   22 
+    720000      144000.00      43.468      -0.927      42.541   9.25 0.071 0.500 0.182 1.731     394.362     370.000      12.132   22 
+    730000      146000.00      34.645       4.837      39.481   8.04 0.000   NaN   NaN 1.306     314.315     370.000      12.452   22 
+    740000      148000.00      35.982     -13.642      22.340   5.14 0.071 0.833 0.402 2.230     326.449     370.000       8.214   22 
+    750000      150000.00      33.777       1.173      34.950   9.83 0.000   NaN   NaN 2.043     306.440     370.000      13.338   22 
+    760000      152000.00      48.251       0.733      48.984   8.51 0.071 0.000 0.136 1.496     437.759     370.000      11.580   22 
+    770000      154000.00      32.214     -17.782      14.433   7.01 0.000 1.000 0.364 1.372     292.267     370.000       8.213   22 
+    780000      156000.00      42.359       5.534      47.893   8.95 0.000 1.000 0.182 1.334     384.300     370.000      12.872   22 
+    790000      158000.00      34.706      -5.759      28.947   7.53 0.000 1.000 0.227 1.757     314.871     370.000      11.002   22 
+    800000      160000.00      37.691       0.905      38.596   6.81 0.000   NaN   NaN 1.031     341.954     370.000      11.788   22 
+    810000      162000.00      35.374      -2.290      33.084   5.35 0.071 0.667 0.318 1.995     320.934     360.000       8.819   22 
+    820000      164000.00      30.683      -8.732      21.952   7.28 0.000 1.000 0.455 1.056     278.376     360.000       7.630   22 
+    830000      166000.00      35.700       6.630      42.330  11.13 0.000 1.000 0.136 1.332     323.891     360.000      14.981   22 
+    840000      168000.00      31.257      -5.172      26.085   7.27 0.071 0.667 0.167 2.916     283.579     360.000      11.058   22 
+    850000      170000.00      39.223       4.952      44.175   6.37 0.000 1.000 0.379 1.824     355.849     360.000       7.991   22 
+    860000      172000.00      31.762       2.282      34.044   7.62 0.071 0.500 0.182 2.422     288.161     360.000      11.429   22 
+    870000      174000.00      39.643      -6.060      33.583   4.71 0.071 0.833 0.167 2.915     359.661     360.000       8.583   22 
+    880000      176000.00      34.925       1.041      35.966   7.60 0.071 0.667 0.152 1.642     316.855     360.000      10.404   22 
+    890000      178000.00      36.120     -16.867      19.254   4.28 0.143 0.714 0.305 1.480     327.702     360.000       7.999   22 
+    900000      180000.00      33.498     -14.387      19.111   5.36 0.214 0.769 0.409 2.459     303.910     360.000       7.066   22 
+    910000      182000.00      40.178     -18.313      21.866   5.90 0.143 0.600 0.309 1.979     364.519     350.000       7.606   22 
+    920000      184000.00      43.963       0.829      44.793   6.45 0.143 0.600 0.318 2.010     398.858     350.000       8.148   22 
+    930000      186000.00      34.324       0.558      34.882   4.66 0.000 1.000 0.355 1.884     311.401     350.000       9.071   22 
+    940000      188000.00      30.542      -0.866      29.677   5.17 0.143 0.778 0.419 1.216     277.095     350.000       7.715   22 
+    950000      190000.00      38.336     -12.879      25.457   6.06 0.000   NaN   NaN 2.333     347.802     350.000      10.524   22 
+    960000      192000.00      23.341      -0.206      23.134   9.71 0.000   NaN   NaN 2.506     211.759     350.000      14.106   22 
+    970000      194000.00      36.456      -4.385      32.071   7.88 0.000   NaN   NaN 1.502     330.752     350.000      11.257   22 
+    980000      196000.00      28.532     -16.578      11.954   5.04 0.143 0.750 0.403 3.310     258.856     350.000       7.866   22 
+    990000      198000.00      36.228      -9.514      26.714   5.29 0.071 0.500 0.455 1.688     328.678     350.000       8.354   22 
+   1000000      200000.00      40.849      13.632      54.481   9.28 0.071 0.500 0.205 1.977     370.601     350.000      11.940   22 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB023.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB023.stat
index 67fffa9..33fed00 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB023.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB023.stat
@@ -1,101 +1,101 @@
-         0           0.00      38.420      21.213      59.633  12.87 0.000   NaN   NaN 0.935     348.570     300.000      15.552   23 
-     10000        2000.00      29.203     -36.485      -7.282   5.50 0.357 0.643 0.386 1.681     264.946     300.000       6.782   23 
-     20000        4000.00      27.458     -38.461     -11.003   5.10 0.357 0.500 0.305 1.624     249.112     300.000       6.786   23 
-     30000        6000.00      27.732     -35.328      -7.595   6.31 0.214 0.700 0.291 2.060     251.601     300.000       6.873   23 
-     40000        8000.00      29.549     -37.985      -8.436   7.31 0.286 0.667 0.212 1.529     268.087     300.000       8.261   23 
-     50000       10000.00      24.248     -27.063      -2.815   4.80 0.071 0.833 0.280 1.803     219.993     300.000       8.332   23 
-     60000       12000.00      28.872     -34.735      -5.863   5.93 0.143 0.846 0.224 1.405     261.940     300.000       7.450   23 
-     70000       14000.00      24.121     -25.590      -1.469   5.19 0.143 0.667 0.189 1.839     218.837     300.000       8.575   23 
-     80000       16000.00      32.296     -40.531      -8.235   6.40 0.214 0.727 0.198 0.777     293.011     300.000       7.804   23 
-     90000       18000.00      28.131     -40.488     -12.357   6.22 0.214 0.700 0.205 1.093     255.223     300.000       7.603   23 
-    100000       20000.00      32.616     -33.210      -0.595   4.74 0.214 0.769 0.252 1.108     295.905     300.000       6.652   23 
-    110000       22000.00      25.589     -51.215     -25.626   5.09 0.357 0.722 0.290 1.550     232.159     270.000       6.520   23 
-    120000       24000.00      25.051     -51.066     -26.016   6.28 0.214 0.750 0.295 2.953     227.271     270.000       6.481   23 
-    130000       26000.00      28.126     -41.483     -13.357   6.93 0.000 1.000 0.182 2.896     255.174     270.000       9.466   23 
-    140000       28000.00      26.521     -54.597     -28.075   6.14 0.214 0.786 0.344 1.039     240.615     270.000       6.625   23 
-    150000       30000.00      31.059     -43.802     -12.743   5.81 0.357 0.583 0.227 1.152     281.781     270.000       7.022   23 
-    160000       32000.00      23.119     -59.134     -36.015   5.03 0.286 0.750 0.327 1.711     209.751     270.000       6.756   23 
-    170000       34000.00      27.620     -50.542     -22.922   4.48 0.214 0.769 0.290 1.302     250.581     270.000       6.600   23 
-    180000       36000.00      29.444     -57.658     -28.214   5.26 0.143 0.778 0.207 1.259     267.130     270.000       7.004   23 
-    190000       38000.00      25.319     -46.926     -21.607   4.54 0.286 0.600 0.314 0.874     229.705     270.000       6.739   23 
-    200000       40000.00      24.781     -50.602     -25.821   4.05 0.214 0.700 0.332 2.132     224.822     270.000       6.657   23 
-    210000       42000.00      25.404     -57.359     -31.956   6.65 0.214 0.812 0.290 1.444     230.474     260.000       6.476   23 
-    220000       44000.00      24.727     -56.777     -32.050   5.26 0.286 0.667 0.318 1.700     224.335     260.000       6.729   23 
-    230000       46000.00      30.843     -56.090     -25.247   6.95 0.286 0.750 0.256 2.289     279.827     260.000       6.507   23 
-    240000       48000.00      23.508     -55.422     -31.914   4.93 0.143 0.800 0.250 1.071     213.273     260.000       6.473   23 
-    250000       50000.00      24.470     -55.608     -31.138   5.24 0.357 0.643 0.347 1.493     222.000     260.000       6.602   23 
-    260000       52000.00      26.300     -59.593     -33.293   4.20 0.286 0.667 0.280 1.015     238.607     260.000       6.758   23 
-    270000       54000.00      26.853     -58.145     -31.292   5.70 0.357 0.706 0.350 1.458     243.624     260.000       6.453   23 
-    280000       56000.00      22.270     -45.757     -23.488   4.30 0.214 0.727 0.260 1.058     202.042     260.000       6.755   23 
-    290000       58000.00      30.376     -51.664     -21.288   4.48 0.286 0.636 0.211 1.307     275.586     260.000       6.558   23 
-    300000       60000.00      24.019     -58.680     -34.662   5.39 0.286 0.778 0.298 1.850     217.909     260.000       6.580   23 
-    310000       62000.00      26.996     -48.522     -21.526   4.64 0.357 0.615 0.248 2.292     244.919     270.000       7.129   23 
-    320000       64000.00      19.346     -49.801     -30.455   5.35 0.143 0.800 0.268 1.394     175.516     270.000       6.902   23 
-    330000       66000.00      25.888     -52.265     -26.377   5.28 0.286 0.714 0.325 2.026     234.871     270.000       6.785   23 
-    340000       68000.00      28.795     -55.158     -26.363   5.87 0.286 0.636 0.248 1.284     261.243     270.000       6.840   23 
-    350000       70000.00      23.985     -45.664     -21.678   4.74 0.214 0.500 0.182 1.455     217.606     270.000       7.695   23 
-    360000       72000.00      27.310     -53.136     -25.827   6.31 0.214 0.786 0.357 1.581     247.770     270.000       6.680   23 
-    370000       74000.00      29.141     -45.683     -16.542   5.16 0.357 0.706 0.291 1.630     264.382     270.000       6.431   23 
-    380000       76000.00      31.292     -48.100     -16.808   5.00 0.357 0.706 0.340 2.604     283.897     270.000       6.769   23 
-    390000       78000.00      33.222     -57.667     -24.445   6.26 0.286 0.714 0.234 1.247     301.411     270.000       6.798   23 
-    400000       80000.00      20.726     -44.026     -23.300   4.79 0.214 0.769 0.308 1.088     188.037     270.000       6.610   23 
-    410000       82000.00      24.578     -40.933     -16.355   4.90 0.357 0.545 0.186 1.968     222.982     290.000       7.336   23 
-    420000       84000.00      33.754     -34.080      -0.326   6.45 0.214 0.727 0.264 3.224     306.235     290.000       6.884   23 
-    430000       86000.00      23.847     -38.992     -15.145   5.72 0.357 0.500 0.227 1.022     216.354     290.000       6.769   23 
-    440000       88000.00      31.625     -49.699     -18.074   4.67 0.429 0.455 0.351 1.449     286.918     290.000       7.240   23 
-    450000       90000.00      31.241     -38.329      -7.088   4.57 0.214 0.571 0.188 1.161     283.438     290.000       7.564   23 
-    460000       92000.00      29.003     -51.855     -22.852   3.39 0.500 0.533 0.315 1.747     263.134     290.000       6.355   23 
-    470000       94000.00      23.723     -47.853     -24.130   2.64 0.429 0.600 0.297 0.959     215.230     290.000       6.831   23 
-    480000       96000.00      30.898     -49.654     -18.756   5.96 0.214 0.812 0.344 2.469     280.319     290.000       6.374   23 
-    490000       98000.00      27.817     -41.281     -13.464   4.79 0.286 0.714 0.299 1.012     252.372     290.000       6.988   23 
-    500000      100000.00      36.981     -35.825       1.155   5.34 0.143 0.714 0.195 0.947     335.509     290.000       8.911   23 
-    510000      102000.00      30.592     -40.234      -9.642   3.87 0.071 0.909 0.347 1.765     277.544     300.000       7.068   23 
-    520000      104000.00      28.139     -48.472     -20.334   3.99 0.357 0.750 0.350 0.943     255.291     300.000       7.252   23 
-    530000      106000.00      33.041     -37.953      -4.912   7.16 0.214 0.786 0.208 0.899     299.765     300.000       7.487   23 
-    540000      108000.00      26.531     -40.660     -14.129   6.34 0.214 0.700 0.282 1.278     240.705     300.000       7.072   23 
-    550000      110000.00      18.952     -33.350     -14.398   5.89 0.214 0.750 0.348 1.537     171.943     300.000       6.692   23 
-    560000      112000.00      29.322     -29.014       0.308   5.66 0.143 0.846 0.332 1.526     266.029     300.000       6.829   23 
-    570000      114000.00      26.853     -32.884      -6.031   5.45 0.357 0.706 0.348 1.885     243.622     300.000       6.764   23 
-    580000      116000.00      28.762     -37.170      -8.409   7.23 0.143 0.818 0.322 1.485     260.939     300.000       6.935   23 
-    590000      118000.00      31.853     -37.925      -6.072   4.34 0.286 0.636 0.397 1.025     288.988     300.000       6.720   23 
-    600000      120000.00      28.392     -31.648      -3.256   4.55 0.143 0.818 0.426 2.193     257.587     300.000       6.953   23 
-    610000      122000.00      34.773     -41.441      -6.667   3.33 0.214 0.700 0.409 1.716     315.479     290.000       7.036   23 
-    620000      124000.00      27.437     -45.105     -17.668   3.71 0.214 0.625 0.205 1.555     248.922     290.000       7.665   23 
-    630000      126000.00      39.859     -41.268      -1.409   3.41 0.286 0.600 0.177 0.956     361.618     290.000       8.205   23 
-    640000      128000.00      26.671     -32.698      -6.027   5.04 0.214 0.750 0.208 1.297     241.969     290.000       7.788   23 
-    650000      130000.00      28.872     -42.754     -13.883   1.51 0.429 0.538 0.325 1.466     261.937     290.000       6.965   23 
-    660000      132000.00      32.482     -47.864     -15.382   2.69 0.429 0.667 0.285 3.453     294.692     290.000       6.386   23 
-    670000      134000.00      18.770     -47.593     -28.823   2.77 0.214 0.750 0.322 1.215     170.287     290.000       6.467   23 
-    680000      136000.00      28.365     -34.712      -6.347   6.14 0.214 0.667 0.242 1.547     257.344     290.000       8.623   23 
-    690000      138000.00      30.413     -36.326      -5.913   4.58 0.214 0.727 0.252 1.618     275.925     290.000       6.704   23 
-    700000      140000.00      27.363     -42.238     -14.875   5.29 0.286 0.765 0.372 1.834     248.252     290.000       7.007   23 
-    710000      142000.00      22.008     -47.699     -25.691   5.06 0.214 0.786 0.442 2.250     199.667     290.000       6.602   23 
-    720000      144000.00      31.145     -38.785      -7.641   4.26 0.214 0.727 0.393 1.569     282.560     290.000       7.293   23 
-    730000      146000.00      25.149     -38.923     -13.774   5.59 0.286 0.636 0.335 1.519     228.160     290.000       7.012   23 
-    740000      148000.00      30.175     -46.444     -16.269   4.88 0.214 0.769 0.413 2.049     273.762     290.000       6.672   23 
-    750000      150000.00      32.182     -47.358     -15.175   4.96 0.214 0.625 0.307 1.908     291.973     290.000       7.047   23 
-    760000      152000.00      31.238     -40.261      -9.023   4.54 0.214 0.700 0.377 1.830     283.406     290.000       7.382   23 
-    770000      154000.00      25.365     -50.234     -24.870   4.51 0.214 0.750 0.375 1.615     230.121     290.000       7.313   23 
-    780000      156000.00      26.049     -47.004     -20.955   3.06 0.571 0.429 0.227 1.877     236.328     290.000       7.190   23 
-    790000      158000.00      31.901     -42.399     -10.499   2.79 0.429 0.600 0.252 1.618     289.420     290.000       7.396   23 
-    800000      160000.00      31.928     -48.075     -16.147   4.02 0.286 0.667 0.394 1.343     289.668     290.000       7.606   23 
-    810000      162000.00      31.518     -40.899      -9.381   4.82 0.000 1.000 0.394 1.143     285.949     270.000       7.085   23 
-    820000      164000.00      27.493     -53.374     -25.881   4.21 0.286 0.733 0.294 1.788     249.432     270.000       7.289   23 
-    830000      166000.00      24.113     -47.727     -23.614   3.80 0.357 0.615 0.381 1.555     218.767     270.000       7.116   23 
-    840000      168000.00      27.612     -46.791     -19.179   3.84 0.500 0.500 0.325 1.594     250.508     270.000       7.685   23 
-    850000      170000.00      32.833     -58.795     -25.962   5.79 0.286 0.600 0.227 1.669     297.877     270.000       6.569   23 
-    860000      172000.00      30.028     -56.506     -26.478   6.27 0.286 0.750 0.312 1.603     272.433     270.000       6.491   23 
-    870000      174000.00      20.805     -44.798     -23.992   4.97 0.286 0.667 0.258 1.917     188.758     270.000       8.537   23 
-    880000      176000.00      24.666     -40.527     -15.861   8.15 0.357 0.286 0.169 3.518     223.781     270.000      11.044   23 
-    890000      178000.00      26.138     -52.349     -26.210   1.91 0.571 0.467 0.245 0.981     237.141     270.000       6.781   23 
-    900000      180000.00      31.272     -61.591     -30.319   1.88 0.429 0.571 0.260 2.571     283.720     270.000       6.732   23 
-    910000      182000.00      29.943     -65.194     -35.251   2.03 0.571 0.500 0.301 1.389     271.659     260.000       6.733   23 
-    920000      184000.00      23.907     -62.346     -38.439   1.92 0.643 0.438 0.284 1.021     216.895     260.000       6.495   23 
-    930000      186000.00      25.461     -64.448     -38.987   2.74 0.357 0.706 0.233 2.286     230.993     260.000       6.565   23 
-    940000      188000.00      21.746     -54.683     -32.937   2.63 0.286 0.714 0.282 3.324     197.291     260.000       6.702   23 
-    950000      190000.00      25.181     -57.917     -32.735   3.36 0.500 0.632 0.297 1.319     228.458     260.000       6.332   23 
-    960000      192000.00      35.188     -57.039     -21.850   2.65 0.286 0.733 0.297 2.418     319.247     260.000       6.612   23 
-    970000      194000.00      27.499     -65.847     -38.348   3.57 0.143 0.846 0.280 1.631     249.484     260.000       6.454   23 
-    980000      196000.00      29.756     -50.063     -20.307   2.58 0.214 0.786 0.338 1.349     269.958     260.000       6.965   23 
-    990000      198000.00      25.532     -62.975     -37.443   2.21 0.571 0.556 0.275 1.704     231.636     260.000       6.336   23 
-   1000000      200000.00      24.835     -57.561     -32.727   2.53 0.286 0.714 0.305 1.599     225.313     260.000       6.462   23 
+         0           0.00      29.679      24.569      54.248  12.87 0.000   NaN   NaN 0.709     269.265     360.000      15.552   23 
+     10000        2000.00      33.118     -14.250      18.868   5.78 0.214 0.667 0.278 2.612     300.459     360.000       8.092   23 
+     20000        4000.00      39.165      -0.635      38.530   8.06 0.143 0.500 0.136 1.615     355.327     360.000      11.044   23 
+     30000        6000.00      37.483      -3.736      33.747   7.37 0.071 0.500 0.136 1.943     340.064     360.000      11.398   23 
+     40000        8000.00      41.297      -3.435      37.861   5.24 0.000   NaN   NaN 2.452     374.665     360.000      10.199   23 
+     50000       10000.00      45.813       4.217      50.030   7.87 0.071 0.500 0.182 2.263     415.636     360.000      11.918   23 
+     60000       12000.00      32.340     -15.233      17.107   5.40 0.214 0.727 0.401 2.116     293.405     360.000       8.595   23 
+     70000       14000.00      34.273       0.123      34.396   7.13 0.071 0.750 0.216 1.180     310.942     360.000       9.092   23 
+     80000       16000.00      39.631       8.152      47.783  10.34 0.000   NaN   NaN 2.312     359.555     360.000      13.882   23 
+     90000       18000.00      31.895      -0.417      31.478  11.59 0.000   NaN   NaN 3.510     289.364     360.000      15.096   23 
+    100000       20000.00      29.886     -11.568      18.318   4.85 0.071 0.750 0.591 1.177     271.146     360.000       7.865   23 
+    110000       22000.00      31.347       4.652      36.000  10.62 0.071 0.750 0.182 1.554     284.399     350.000      13.615   23 
+    120000       24000.00      43.768      12.618      56.385   6.40 0.071 0.667 0.197 3.466     397.082     350.000      11.072   23 
+    130000       26000.00      22.927       3.806      26.733   7.02 0.000 1.000 0.409 1.898     208.006     350.000      10.177   23 
+    140000       28000.00      33.801      -3.005      30.796  10.23 0.071 0.500 0.136 1.754     306.662     350.000      13.654   23 
+    150000       30000.00      31.715     -20.006      11.708   5.86 0.071 0.800 0.227 1.922     287.732     350.000       7.753   23 
+    160000       32000.00      47.130      -9.703      37.428   5.12 0.000 1.000 0.182 2.026     427.590     350.000       7.802   23 
+    170000       34000.00      37.287      -0.866      36.421   6.13 0.071 0.750 0.273 2.892     338.289     350.000       8.775   23 
+    180000       36000.00      35.912       6.818      42.730   9.00 0.071 0.000 0.136 0.787     325.815     350.000      12.725   23 
+    190000       38000.00      23.650      -2.152      21.499   8.29 0.000 1.000 0.182 1.633     214.569     350.000      11.823   23 
+    200000       40000.00      39.650      -1.703      37.947  13.02 0.000   NaN   NaN 2.182     359.722     350.000      16.141   23 
+    210000       42000.00      27.871     -12.974      14.897   5.93 0.000 1.000 0.333 1.632     252.861     350.000       7.436   23 
+    220000       44000.00      35.052      -3.572      31.481  12.73 0.000 1.000 0.136 1.420     318.013     350.000      15.317   23 
+    230000       46000.00      26.307     -10.843      15.464   6.76 0.000 1.000 0.447 1.359     238.673     350.000       7.838   23 
+    240000       48000.00      32.666      -3.503      29.163   5.67 0.143 0.667 0.326 0.784     296.366     350.000       7.621   23 
+    250000       50000.00      25.514       4.415      29.929   7.02 0.071 0.500 0.182 1.532     231.478     350.000       9.657   23 
+    260000       52000.00      30.011      10.533      40.544   7.45 0.000   NaN   NaN 2.619     272.279     350.000      11.051   23 
+    270000       54000.00      29.894      -1.661      28.233   5.28 0.000 1.000 0.432 1.249     271.210     350.000       9.608   23 
+    280000       56000.00      33.239      -1.238      32.000   5.53 0.000 1.000 0.455 1.503     301.557     350.000       7.946   23 
+    290000       58000.00      37.135       9.265      46.400   8.53 0.071 0.500 0.227 2.668     336.905     350.000      10.338   23 
+    300000       60000.00      28.667      -5.208      23.459   9.57 0.071 0.000 0.182 1.365     260.084     350.000      13.214   23 
+    310000       62000.00      29.142       4.421      33.564   5.67 0.000 1.000 0.295 1.538     264.394     350.000       7.465   23 
+    320000       64000.00      40.773     -16.188      24.586   4.06 0.143 0.000 0.477 2.248     369.915     350.000       8.738   23 
+    330000       66000.00      37.669      -7.227      30.442   4.56 0.071 0.833 0.432 1.935     341.750     350.000       8.470   23 
+    340000       68000.00      43.026      -4.454      38.573   8.27 0.000   NaN   NaN 2.496     390.358     350.000      11.381   23 
+    350000       70000.00      28.557       4.248      32.805   5.17 0.071 0.500 0.636 1.478     259.087     350.000       9.708   23 
+    360000       72000.00      30.160      -6.862      23.298   8.75 0.143 0.000 0.159 1.403     273.624     350.000      11.272   23 
+    370000       74000.00      31.151      -6.193      24.958   5.98 0.071 0.750 0.205 2.117     282.618     350.000       9.598   23 
+    380000       76000.00      32.668      -7.958      24.711  10.63 0.071 0.500 0.136 2.226     296.385     350.000      14.615   23 
+    390000       78000.00      29.217      -9.589      19.628   4.68 0.000 1.000 0.398 2.361     265.069     350.000       7.796   23 
+    400000       80000.00      31.181      -7.512      23.670   8.01 0.143 0.000 0.136 2.845     282.893     350.000      12.351   23 
+    410000       82000.00      33.824      -8.834      24.991   4.13 0.071 0.667 0.318 1.222     306.873     340.000       8.330   23 
+    420000       84000.00      37.495       0.305      37.800   8.48 0.071 0.000 0.136 1.979     340.177     340.000      11.727   23 
+    430000       86000.00      32.759       2.418      35.177  11.35 0.000   NaN   NaN 2.143     297.203     340.000      15.042   23 
+    440000       88000.00      34.883      -7.246      27.636   3.92 0.071 0.667 0.485 2.968     316.472     340.000       7.987   23 
+    450000       90000.00      29.829      -5.991      23.838   5.79 0.071 0.667 0.455 2.215     270.624     340.000       9.289   23 
+    460000       92000.00      25.487      -0.829      24.658   9.21 0.071 0.667 0.227 1.964     231.229     340.000      11.114   23 
+    470000       94000.00      34.027       0.185      34.212   9.53 0.000 1.000 0.136 2.123     308.709     340.000      13.259   23 
+    480000       96000.00      24.291      -1.423      22.868   7.01 0.071 0.500 0.182 1.084     220.378     340.000      10.623   23 
+    490000       98000.00      36.889      -7.432      29.457   5.26 0.071 0.750 0.205 1.475     334.674     340.000       9.690   23 
+    500000      100000.00      43.844     -13.738      30.106   8.49 0.143 0.000 0.136 1.640     397.774     340.000      12.367   23 
+    510000      102000.00      28.977      -0.093      28.884   7.00 0.000 1.000 0.330 1.347     262.895     330.000       9.542   23 
+    520000      104000.00      27.498     -12.519      14.980  10.53 0.071 0.000 0.182 1.714     249.480     330.000      14.217   23 
+    530000      106000.00      29.385     -11.470      17.915   9.00 0.071 0.500 0.136 1.388     266.594     330.000      13.118   23 
+    540000      108000.00      34.446       1.414      35.859   5.25 0.214 0.500 0.273 3.497     312.509     330.000       9.082   23 
+    550000      110000.00      35.204      -7.711      27.493   5.95 0.071 0.750 0.193 2.239     319.389     330.000       9.246   23 
+    560000      112000.00      30.427      -9.390      21.036   7.02 0.071 0.667 0.348 1.047     276.047     330.000       9.449   23 
+    570000      114000.00      29.793      -0.906      28.887   5.93 0.071 0.800 0.182 2.932     270.300     330.000       9.376   23 
+    580000      116000.00      32.049      -5.940      26.109   5.57 0.071 0.500 0.136 2.376     290.763     330.000       9.568   23 
+    590000      118000.00      38.334      -6.935      31.400   5.48 0.071 0.667 0.394 2.060     347.788     330.000       9.749   23 
+    600000      120000.00      27.630     -14.082      13.548   6.41 0.071 0.750 0.148 2.104     250.678     330.000       9.807   23 
+    610000      122000.00      37.555     -14.626      22.929   5.22 0.000 1.000 0.182 1.275     340.715     340.000       8.379   23 
+    620000      124000.00      35.447      -9.926      25.522   4.90 0.214 0.400 0.155 2.000     321.595     340.000       9.086   23 
+    630000      126000.00      33.211      -1.536      31.674   3.93 0.214 0.700 0.286 1.980     301.306     340.000       7.003   23 
+    640000      128000.00      40.070     -11.457      28.613   6.38 0.000 1.000 0.345 0.995     363.540     340.000       7.576   23 
+    650000      130000.00      35.189      -5.070      30.119   5.13 0.000 1.000 0.341 2.005     319.249     340.000       9.500   23 
+    660000      132000.00      36.488     -21.495      14.993   4.26 0.071 0.750 0.284 1.569     331.037     340.000       8.521   23 
+    670000      134000.00      32.985       4.569      37.554   5.42 0.071 0.800 0.727 2.338     299.257     340.000       9.514   23 
+    680000      136000.00      39.204      -8.824      30.380   7.13 0.000 1.000 0.409 1.847     355.678     340.000       9.780   23 
+    690000      138000.00      38.005      -4.147      33.858   4.72 0.071 0.667 0.152 1.604     344.804     340.000       9.998   23 
+    700000      140000.00      35.288     -28.277       7.012   3.55 0.357 0.500 0.327 1.981     320.154     340.000       7.311   23 
+    710000      142000.00      29.821     -21.160       8.661   3.63 0.214 0.727 0.434 3.264     270.548     320.000       7.181   23 
+    720000      144000.00      29.998     -17.377      12.621   6.28 0.071 0.800 0.282 1.181     272.160     320.000       8.816   23 
+    730000      146000.00      39.605     -13.539      26.066   6.11 0.071 0.500 0.136 1.491     359.317     320.000       9.637   23 
+    740000      148000.00      29.971      -2.860      27.111   6.47 0.214 0.500 0.197 2.337     271.916     320.000       8.538   23 
+    750000      150000.00      28.925     -26.745       2.179   4.75 0.143 0.500 0.409 1.009     262.421     320.000       7.982   23 
+    760000      152000.00      27.857     -26.495       1.362   5.76 0.286 0.667 0.246 1.520     252.731     320.000       7.128   23 
+    770000      154000.00      30.678     -25.083       5.595   5.40 0.286 0.636 0.405 1.584     278.323     320.000       7.096   23 
+    780000      156000.00      28.166     -21.334       6.832   6.87 0.071 0.857 0.299 1.542     255.536     320.000       6.916   23 
+    790000      158000.00      36.084     -20.276      15.807   5.17 0.000 1.000 0.261 1.471     327.369     320.000       7.393   23 
+    800000      160000.00      38.677     -16.521      22.156   5.70 0.214 0.250 0.148 2.181     350.897     320.000       9.904   23 
+    810000      162000.00      32.172     -12.316      19.856   4.67 0.071 0.500 0.205 2.259     291.882     320.000       8.682   23 
+    820000      164000.00      32.485     -11.603      20.882   5.60 0.214 0.700 0.309 1.438     294.720     320.000       8.181   23 
+    830000      166000.00      31.863     -20.238      11.624   6.36 0.286 0.200 0.164 2.556     289.074     320.000       9.179   23 
+    840000      168000.00      29.381     -25.297       4.084   4.31 0.214 0.500 0.189 1.885     266.557     320.000       7.884   23 
+    850000      170000.00      33.054     -16.863      16.190   4.67 0.071 0.800 0.182 1.258     299.882     320.000       8.517   23 
+    860000      172000.00      23.024     -20.267       2.757   3.78 0.143 0.667 0.394 1.518     208.884     320.000       7.973   23 
+    870000      174000.00      27.785      -8.187      19.598   7.67 0.286 0.429 0.227 2.306     252.080     320.000       9.137   23 
+    880000      176000.00      41.513     -18.564      22.949   3.96 0.000 1.000 0.193 1.946     376.627     320.000       7.826   23 
+    890000      178000.00      32.156     -17.608      14.547   4.72 0.071 0.750 0.170 3.073     291.731     320.000       8.849   23 
+    900000      180000.00      30.030     -26.005       4.026   6.65 0.071 0.889 0.394 3.167     272.449     320.000       7.284   23 
+    910000      182000.00      32.682     -11.324      21.358   5.58 0.214 0.571 0.201 1.966     296.508     320.000       8.945   23 
+    920000      184000.00      30.148     -21.919       8.229   4.73 0.286 0.200 0.218 1.232     273.520     320.000       9.262   23 
+    930000      186000.00      30.473     -19.935      10.538   3.82 0.214 0.700 0.405 2.356     276.468     320.000       7.625   23 
+    940000      188000.00      32.472     -11.575      20.898   6.26 0.214 0.400 0.227 1.678     294.607     320.000       9.614   23 
+    950000      190000.00      31.523     -16.727      14.796   5.59 0.286 0.000 0.148 2.860     285.991     320.000       8.128   23 
+    960000      192000.00      28.854      -7.350      21.504   6.78 0.071 0.667 0.258 1.994     261.779     320.000      10.287   23 
+    970000      194000.00      23.757     -13.625      10.132   6.81 0.000 1.000 0.273 2.179     215.535     320.000      10.452   23 
+    980000      196000.00      27.479      -6.827      20.652   7.06 0.071 0.750 0.182 2.107     249.303     320.000      10.922   23 
+    990000      198000.00      30.947     -18.747      12.200   7.56 0.143 0.600 0.209 1.135     280.770     320.000      10.325   23 
+   1000000      200000.00      27.363     -16.337      11.026   4.47 0.071 0.500 0.182 1.970     248.248     320.000       8.438   23 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB024.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB024.stat
index 078fb16..f485223 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB024.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB024.stat
@@ -1,101 +1,101 @@
-         0           0.00      25.389      21.156      46.546  12.87 0.000   NaN   NaN 0.935     230.343     310.000      15.552   24 
-     10000        2000.00      39.732     -25.345      14.387   4.21 0.071 0.889 0.273 2.040     360.471     310.000       7.218   24 
-     20000        4000.00      25.659     -34.627      -8.968   3.31 0.357 0.688 0.418 1.331     232.792     310.000       6.997   24 
-     30000        6000.00      31.927     -33.604      -1.677   3.69 0.143 0.667 0.220 2.089     289.658     310.000       7.453   24 
-     40000        8000.00      29.531     -45.982     -16.451   3.22 0.571 0.529 0.324 2.135     267.923     310.000       6.612   24 
-     50000       10000.00      30.456     -36.284      -5.828   2.94 0.286 0.600 0.173 1.231     276.310     310.000       7.506   24 
-     60000       12000.00      30.815     -32.420      -1.605   6.09 0.214 0.800 0.315 1.481     279.573     310.000       6.787   24 
-     70000       14000.00      30.854     -22.373       8.481   6.29 0.071 0.500 0.136 1.096     279.919     310.000       8.027   24 
-     80000       16000.00      31.571     -35.066      -3.495   5.95 0.214 0.769 0.367 2.389     286.432     310.000       6.892   24 
-     90000       18000.00      37.197     -26.980      10.218   4.98 0.143 0.667 0.311 2.447     337.475     310.000       7.620   24 
-    100000       20000.00      34.773     -36.430      -1.657   5.90 0.214 0.667 0.278 2.800     315.478     310.000       7.068   24 
-    110000       22000.00      43.747     -32.968      10.779   6.61 0.214 0.571 0.201 1.471     396.899     310.000       7.703   24 
-    120000       24000.00      29.997     -29.456       0.541   5.95 0.286 0.667 0.424 2.496     272.152     310.000       6.729   24 
-    130000       26000.00      39.794     -40.717      -0.923   4.42 0.286 0.500 0.335 1.168     361.031     310.000       7.501   24 
-    140000       28000.00      30.583     -29.342       1.241   6.94 0.214 0.625 0.182 1.613     277.463     310.000       7.573   24 
-    150000       30000.00      29.223     -29.463      -0.240   5.26 0.286 0.500 0.159 2.261     265.129     310.000       9.255   24 
-    160000       32000.00      29.733     -30.846      -1.114   6.80 0.143 0.750 0.205 1.093     269.751     310.000       7.914   24 
-    170000       34000.00      34.844     -22.662      12.182   5.46 0.071 0.667 0.136 2.681     316.123     310.000       9.657   24 
-    180000       36000.00      37.813     -35.193       2.620   6.38 0.286 0.667 0.261 1.104     343.063     310.000       7.303   24 
-    190000       38000.00      32.056     -41.709      -9.652   6.10 0.214 0.700 0.214 2.887     290.832     310.000       7.516   24 
-    200000       40000.00      40.700     -20.416      20.284   6.68 0.357 0.500 0.164 1.985     369.251     310.000       8.908   24 
-    210000       42000.00      26.019     -34.390      -8.371   5.17 0.286 0.600 0.345 1.322     236.054     320.000       7.166   24 
-    220000       44000.00      30.289     -35.326      -5.036   5.49 0.214 0.786 0.338 1.913     274.799     320.000       7.125   24 
-    230000       46000.00      30.684     -22.735       7.949   4.75 0.071 0.750 0.182 1.510     278.383     320.000       8.947   24 
-    240000       48000.00      26.026     -20.026       6.000   6.26 0.071 0.500 0.636 1.727     236.122     320.000       8.549   24 
-    250000       50000.00      36.686     -16.626      20.060   5.94 0.071 0.750 0.500 2.134     332.838     320.000       8.259   24 
-    260000       52000.00      27.145     -15.228      11.917  10.00 0.071 0.500 0.136 2.675     246.277     320.000      12.353   24 
-    270000       54000.00      29.655     -27.437       2.218   4.06 0.214 0.667 0.323 1.746     269.047     320.000       7.028   24 
-    280000       56000.00      20.346     -35.005     -14.659   5.13 0.357 0.500 0.182 1.400     184.593     320.000       8.277   24 
-    290000       58000.00      33.351     -37.577      -4.226   5.93 0.286 0.600 0.318 1.089     302.578     320.000       7.110   24 
-    300000       60000.00      37.913     -34.312       3.601   5.22 0.143 0.778 0.444 1.755     343.969     320.000       7.137   24 
-    310000       62000.00      30.649     -13.990      16.659   6.01 0.214 0.400 0.218 2.382     278.063     340.000       7.301   24 
-    320000       64000.00      26.831     -18.667       8.164   6.14 0.071 0.667 0.439 1.579     243.426     340.000       8.181   24 
-    330000       66000.00      32.103     -23.106       8.998   5.41 0.214 0.625 0.278 0.657     291.257     340.000       7.790   24 
-    340000       68000.00      35.280     -13.082      22.198   6.86 0.000 1.000 0.400 0.915     320.077     340.000       7.658   24 
-    350000       70000.00      34.113     -10.306      23.806   3.68 0.143 0.714 0.390 2.259     309.488     340.000       7.294   24 
-    360000       72000.00      33.491     -29.269       4.222   4.05 0.214 0.625 0.392 1.753     303.849     340.000       7.640   24 
-    370000       74000.00      35.389     -24.662      10.727   3.78 0.286 0.556 0.409 1.817     321.066     340.000       7.309   24 
-    380000       76000.00      33.353     -18.519      14.834   5.50 0.143 0.667 0.341 1.310     302.594     340.000       8.804   24 
-    390000       78000.00      34.043     -24.660       9.383   6.57 0.071 0.909 0.360 2.384     308.854     340.000       7.295   24 
-    400000       80000.00      43.441     -18.405      25.035   4.44 0.143 0.500 0.386 1.457     394.116     340.000       9.078   24 
-    410000       82000.00      39.652     -21.978      17.674   7.24 0.071 0.667 0.182 1.748     359.743     360.000      11.061   24 
-    420000       84000.00      34.340      -5.236      29.104   6.66 0.071 0.750 0.216 3.084     311.554     360.000       8.349   24 
-    430000       86000.00      31.090     -24.061       7.029   6.21 0.000 1.000 0.523 1.830     282.060     360.000       9.148   24 
-    440000       88000.00      28.091     -18.617       9.474   5.27 0.143 0.500 0.398 1.164     254.860     360.000       8.972   24 
-    450000       90000.00      40.039      -1.429      38.610   7.39 0.143 0.333 0.152 1.949     363.253     360.000       9.380   24 
-    460000       92000.00      43.741      -1.560      42.181   7.34 0.071 0.000 0.136 1.543     396.841     360.000       9.419   24 
-    470000       94000.00      30.761      -1.688      29.073   8.82 0.000 1.000 0.136 1.348     279.084     360.000      11.699   24 
-    480000       96000.00      24.831     -21.198       3.634   5.84 0.143 0.600 0.345 3.184     225.281     360.000       7.834   24 
-    490000       98000.00      34.098     -15.570      18.527   5.23 0.143 0.667 0.432 1.804     309.351     360.000       8.161   24 
-    500000      100000.00      34.373      -0.043      34.330   9.53 0.071 0.667 0.242 2.198     311.848     360.000      11.305   24 
-    510000      102000.00      26.247     -17.394       8.853   5.92 0.071 0.800 0.245 1.443     238.130     350.000       7.843   24 
-    520000      104000.00      33.817     -13.010      20.807   6.76 0.000 1.000 0.182 0.824     306.809     350.000       8.545   24 
-    530000      106000.00      38.091     -18.215      19.876   6.68 0.143 0.714 0.195 2.086     345.580     350.000       8.658   24 
-    540000      108000.00      35.118     -14.855      20.263   5.11 0.071 0.500 0.455 1.510     318.605     350.000       8.672   24 
-    550000      110000.00      35.812     -11.839      23.973   5.58 0.071 0.833 0.394 2.057     324.903     350.000       6.992   24 
-    560000      112000.00      35.876     -20.349      15.527   6.67 0.143 0.500 0.273 1.006     325.486     350.000      10.068   24 
-    570000      114000.00      40.840      -2.801      38.039  10.52 0.071 0.500 0.136 1.357     370.518     350.000      14.182   24 
-    580000      116000.00      35.257     -22.616      12.641   4.57 0.286 0.000 0.261 2.195     319.874     350.000       7.754   24 
-    590000      118000.00      27.483     -19.048       8.435   5.04 0.214 0.667 0.288 1.295     249.338     350.000       8.540   24 
-    600000      120000.00      41.830       2.660      44.491   6.79 0.000 1.000 0.182 1.846     379.507     350.000       9.126   24 
-    610000      122000.00      36.655     -20.511      16.144   5.29 0.000 1.000 0.400 2.704     332.553     400.000       8.146   24 
-    620000      124000.00      42.418       2.303      44.721  10.02 0.071 0.000 0.136 2.021     384.835     400.000      12.395   24 
-    630000      126000.00      37.211     -12.227      24.985   7.85 0.071 0.500 0.182 1.936     337.600     400.000      11.279   24 
-    640000      128000.00      27.793       0.290      28.083   5.45 0.071 0.800 0.500 1.412     252.151     400.000       8.679   24 
-    650000      130000.00      52.749       0.769      53.519   6.92 0.000 1.000 0.227 1.934     478.570     400.000       8.720   24 
-    660000      132000.00      44.471       0.434      44.905   7.83 0.000   NaN   NaN 1.567     403.467     400.000      12.372   24 
-    670000      134000.00      36.469      -5.776      30.693   6.18 0.071 0.500 0.386 2.006     330.868     400.000       8.933   24 
-    680000      136000.00      32.517     -14.998      17.518   5.83 0.071 0.750 0.477 1.956     295.008     400.000       8.033   24 
-    690000      138000.00      45.366       2.570      47.936   7.91 0.071 0.800 0.291 1.559     411.583     400.000      10.711   24 
-    700000      140000.00      42.665      -3.162      39.503   5.79 0.000 1.000 0.659 1.267     387.077     400.000       9.132   24 
-    710000      142000.00      32.517      -4.798      27.719   5.46 0.000   NaN   NaN 1.360     295.010     390.000       9.438   24 
-    720000      144000.00      34.330       0.812      35.142  11.22 0.071 0.667 0.152 1.547     311.457     390.000      14.010   24 
-    730000      146000.00      38.905      -0.009      38.896   6.69 0.143 0.000 0.136 1.115     352.970     390.000      10.260   24 
-    740000      148000.00      37.695     -15.304      22.390   4.95 0.143 0.333 0.379 0.958     341.984     390.000       8.126   24 
-    750000      150000.00      41.010      -7.046      33.964   8.99 0.000   NaN   NaN 1.747     372.066     390.000      13.281   24 
-    760000      152000.00      33.310      -2.235      31.075   5.64 0.000 1.000 0.682 2.062     302.204     390.000       8.746   24 
-    770000      154000.00      38.125      -9.690      28.435   4.21 0.000 1.000 0.400 2.795     345.893     390.000       8.078   24 
-    780000      156000.00      35.208      -7.792      27.416   3.98 0.143 0.600 0.445 1.396     319.424     390.000       8.546   24 
-    790000      158000.00      35.780     -10.210      25.571   9.65 0.071 0.500 0.136 1.425     324.617     390.000      13.002   24 
-    800000      160000.00      46.279      -5.614      40.665   7.16 0.000 1.000 0.136 1.810     419.869     390.000      11.442   24 
-    810000      162000.00      41.724      -7.235      34.489   7.97 0.143 0.600 0.218 0.246     378.539     380.000       9.996   24 
-    820000      164000.00      46.300     -21.088      25.212   6.79 0.071 0.833 0.356 0.930     420.059     380.000       7.865   24 
-    830000      166000.00      35.887     -13.878      22.009   7.14 0.000   NaN   NaN 1.693     325.586     380.000      10.548   24 
-    840000      168000.00      31.028      -2.925      28.102   7.22 0.143 0.333 0.152 2.438     281.500     380.000       9.422   24 
-    850000      170000.00      41.262      -3.260      38.003   5.75 0.000 1.000 0.227 1.780     374.354     380.000       9.721   24 
-    860000      172000.00      44.009     -19.566      24.443   4.62 0.143 0.333 0.530 2.281     399.273     380.000       8.620   24 
-    870000      174000.00      40.729       9.727      50.455   8.59 0.071 0.500 0.159 2.150     369.510     380.000      11.838   24 
-    880000      176000.00      36.800      -3.683      33.117   6.49 0.000 1.000 0.250 2.604     333.872     380.000      10.397   24 
-    890000      178000.00      34.780      -2.982      31.798  10.72 0.071 0.500 0.182 2.046     315.542     380.000      14.172   24 
-    900000      180000.00      31.702     -17.476      14.226   4.84 0.143 0.000 0.432 1.498     287.621     380.000       9.718   24 
-    910000      182000.00      33.970       3.226      37.196   5.88 0.000 1.000 0.477 4.104     308.197     380.000       9.138   24 
-    920000      184000.00      40.916     -10.521      30.395   5.87 0.214 0.000 0.197 2.170     371.214     380.000       9.079   24 
-    930000      186000.00      33.213      -3.319      29.894   7.64 0.000 1.000 0.282 2.088     301.325     380.000       9.474   24 
-    940000      188000.00      30.896      -7.730      23.167   8.84 0.000 1.000 0.182 2.349     280.308     380.000      13.161   24 
-    950000      190000.00      40.442      -4.969      35.473  12.26 0.000   NaN   NaN 0.186     366.908     380.000      15.508   24 
-    960000      192000.00      44.501      -4.840      39.661   5.74 0.000 1.000 0.636 2.195     403.738     380.000      10.515   24 
-    970000      194000.00      34.618     -13.777      20.841   5.22 0.071 0.800 0.309 1.675     314.073     380.000       7.558   24 
-    980000      196000.00      31.651      -7.622      24.029   5.99 0.071 0.750 0.409 1.405     287.158     380.000       7.659   24 
-    990000      198000.00      33.438      -4.954      28.484   6.39 0.071 0.500 0.205 1.305     303.364     380.000      11.003   24 
-   1000000      200000.00      35.336     -10.583      24.754   4.92 0.143 0.000 0.364 2.855     320.590     380.000       9.675   24 
+         0           0.00      42.090      24.554      66.644  12.87 0.000   NaN   NaN 0.711     381.858     370.000      15.552   24 
+     10000        2000.00      38.776       2.467      41.242   9.60 0.000   NaN   NaN 1.256     351.794     370.000      12.821   24 
+     20000        4000.00      33.957       9.774      43.731   5.63 0.000 1.000 0.273 1.638     308.074     370.000      10.513   24 
+     30000        6000.00      36.744     -15.121      21.623   5.68 0.143 0.500 0.341 1.250     333.360     370.000       8.252   24 
+     40000        8000.00      41.073       1.191      42.265   7.69 0.071 0.500 0.250 1.721     372.640     370.000      11.245   24 
+     50000       10000.00      35.128     -10.889      24.239   5.41 0.000 1.000 0.344 1.606     318.702     370.000       8.895   24 
+     60000       12000.00      45.692       2.483      48.175   8.53 0.000   NaN   NaN 1.303     414.541     370.000      12.037   24 
+     70000       14000.00      31.378       0.812      32.190   7.17 0.000 1.000 0.273 2.871     284.680     370.000      11.201   24 
+     80000       16000.00      36.789       0.373      37.162   9.21 0.000   NaN   NaN 1.854     333.768     370.000      12.327   24 
+     90000       18000.00      28.020      -8.212      19.808   5.73 0.000 1.000 0.409 3.367     254.212     370.000      10.043   24 
+    100000       20000.00      34.402      -2.435      31.967   7.18 0.143 0.600 0.182 1.672     312.117     370.000       9.945   24 
+    110000       22000.00      32.282       1.924      34.206   6.39 0.000   NaN   NaN 1.554     292.879     370.000       8.460   24 
+    120000       24000.00      34.574      -7.783      26.791   6.54 0.000 1.000 0.416 1.875     313.669     370.000       9.334   24 
+    130000       26000.00      38.257       3.305      41.562   5.86 0.000   NaN   NaN 1.252     347.085     370.000       9.792   24 
+    140000       28000.00      32.290      -3.701      28.589   7.23 0.000   NaN   NaN 3.381     292.950     370.000      10.413   24 
+    150000       30000.00      40.728      -3.477      37.251   8.38 0.214 0.400 0.173 1.772     369.504     370.000      10.222   24 
+    160000       32000.00      40.908      -2.131      38.777   7.91 0.071 0.667 0.182 1.267     371.139     370.000       9.307   24 
+    170000       34000.00      47.500       3.187      50.687  10.20 0.000   NaN   NaN 3.431     430.943     370.000      13.490   24 
+    180000       36000.00      35.606      11.561      47.167   9.97 0.000 1.000 0.136 1.946     323.033     370.000      12.723   24 
+    190000       38000.00      29.037      -8.791      20.247   5.99 0.071 0.667 0.455 1.062     263.443     370.000       8.203   24 
+    200000       40000.00      37.635       1.220      38.855  11.01 0.000   NaN   NaN 1.830     341.443     370.000      14.425   24 
+    210000       42000.00      44.060       6.247      50.308   9.00 0.071 0.500 0.159 2.183     399.737     400.000      11.351   24 
+    220000       44000.00      37.814       9.078      46.893   9.72 0.071 0.750 0.216 2.002     343.072     400.000      12.430   24 
+    230000       46000.00      39.806       0.697      40.503   5.30 0.071 0.750 0.375 2.254     361.143     400.000       7.922   24 
+    240000       48000.00      45.914      -0.993      44.921   7.19 0.143 0.333 0.136 1.311     416.554     400.000      11.521   24 
+    250000       50000.00      56.459      12.978      69.437   8.78 0.000 1.000 0.136 4.747     512.221     400.000      11.421   24 
+    260000       52000.00      32.414       2.554      34.968   6.17 0.071 0.000 0.136 1.963     294.075     400.000      10.336   24 
+    270000       54000.00      30.244      -1.854      28.389   5.70 0.071 0.667 0.636 2.058     274.387     400.000       9.215   24 
+    280000       56000.00      39.851       3.088      42.939   7.97 0.000   NaN   NaN 1.990     361.548     400.000      11.044   24 
+    290000       58000.00      39.846      -0.566      39.280   5.87 0.143 0.714 0.500 2.466     361.504     400.000       8.740   24 
+    300000       60000.00      44.037      -0.995      43.042   8.01 0.000 1.000 0.227 1.802     399.523     400.000      10.417   24 
+    310000       62000.00      39.397      -0.988      38.409   8.77 0.000 1.000 0.273 2.951     357.427     380.000      12.337   24 
+    320000       64000.00      29.972       5.406      35.378   6.03 0.071 0.000 0.136 1.703     271.924     380.000      10.239   24 
+    330000       66000.00      25.872       6.039      31.910   8.51 0.000   NaN   NaN 2.299     234.720     380.000      11.709   24 
+    340000       68000.00      40.099      -0.909      39.191   6.33 0.000   NaN   NaN 1.417     363.803     380.000       9.413   24 
+    350000       70000.00      41.386       2.843      44.229   7.24 0.000 1.000 0.258 2.532     375.479     380.000       8.990   24 
+    360000       72000.00      41.088      -7.040      34.048   6.74 0.000   NaN   NaN 1.007     372.776     380.000      10.305   24 
+    370000       74000.00      38.389       2.792      41.182   5.88 0.000   NaN   NaN 1.844     348.287     380.000      10.070   24 
+    380000       76000.00      40.882       3.200      44.081   5.37 0.071 0.667 0.182 2.323     370.899     380.000       9.946   24 
+    390000       78000.00      36.714       1.711      38.425   6.15 0.071 0.500 0.136 2.709     333.088     380.000      10.216   24 
+    400000       80000.00      34.381      11.319      45.701   6.34 0.143 0.000 0.159 1.308     311.926     380.000      10.411   24 
+    410000       82000.00      39.616       3.164      42.780   6.07 0.071 0.000 0.227 1.838     359.421     400.000      10.699   24 
+    420000       84000.00      37.400       0.926      38.326   8.21 0.071 0.000 0.227 1.031     339.316     400.000      11.858   24 
+    430000       86000.00      37.427      -8.404      29.024   5.64 0.000 1.000 0.439 2.564     339.558     400.000       8.534   24 
+    440000       88000.00      39.549      -0.878      38.671   4.99 0.000 1.000 0.682 1.222     358.807     400.000       9.959   24 
+    450000       90000.00      42.478       5.575      48.053   5.61 0.000   NaN   NaN 2.909     385.381     400.000       9.781   24 
+    460000       92000.00      38.450      -8.145      30.305   5.38 0.071 0.000 0.182 1.366     348.837     400.000       9.052   24 
+    470000       94000.00      31.958       8.243      40.201   8.33 0.000   NaN   NaN 1.421     289.941     400.000      11.210   24 
+    480000       96000.00      44.053       5.262      49.315   6.51 0.000 1.000 0.136 3.744     399.671     400.000      10.811   24 
+    490000       98000.00      30.771       1.620      32.392   9.30 0.071 0.000 0.136 2.493     279.172     400.000      12.525   24 
+    500000      100000.00      41.748       4.361      46.109   5.01 0.143 0.500 0.182 0.924     378.760     400.000       9.012   24 
+    510000      102000.00      45.161      -3.420      41.741  12.65 0.071 0.000 0.136 2.028     409.724     380.000      16.041   24 
+    520000      104000.00      40.694       3.466      44.160   4.23 0.071 0.800 0.400 1.823     369.197     380.000       8.920   24 
+    530000      106000.00      38.537       4.118      42.655   5.00 0.071 0.500 0.341 2.832     349.628     380.000       8.240   24 
+    540000      108000.00      41.246      -2.885      38.361   6.01 0.071 0.667 0.439 1.856     374.206     380.000       9.718   24 
+    550000      110000.00      32.515      -1.462      31.053   5.44 0.071 0.000 0.136 2.122     294.989     380.000       9.415   24 
+    560000      112000.00      41.593       7.077      48.670   7.85 0.000 1.000 0.295 2.233     377.353     380.000      11.615   24 
+    570000      114000.00      34.186       5.687      39.873   6.36 0.000   NaN   NaN 2.333     310.150     380.000       9.114   24 
+    580000      116000.00      42.517      -4.344      38.173   5.47 0.071 0.800 0.600 1.822     385.740     380.000       8.506   24 
+    590000      118000.00      26.139      -9.536      16.603   6.59 0.000 1.000 0.442 1.326     237.149     380.000       7.658   24 
+    600000      120000.00      33.681      -0.316      33.365   5.79 0.071 0.000 0.591 1.693     305.572     380.000       9.389   24 
+    610000      122000.00      46.050      -7.435      38.615  10.29 0.000   NaN   NaN 2.387     417.788     370.000      13.628   24 
+    620000      124000.00      28.047       1.231      29.277   9.44 0.000   NaN   NaN 1.377     254.453     370.000      12.621   24 
+    630000      126000.00      38.843       7.400      46.242   8.65 0.000 1.000 0.227 1.794     352.400     370.000      12.172   24 
+    640000      128000.00      28.354      -8.967      19.387   7.44 0.000 1.000 0.227 1.916     257.244     370.000      12.054   24 
+    650000      130000.00      37.438      -7.407      30.032   4.54 0.071 0.857 0.312 1.393     339.660     370.000       7.704   24 
+    660000      132000.00      34.755      -0.053      34.701   6.40 0.000 1.000 0.227 1.748     315.314     370.000       8.875   24 
+    670000      134000.00      38.323       1.195      39.518   5.84 0.000 1.000 0.591 1.913     347.688     370.000       9.531   24 
+    680000      136000.00      36.403       0.606      37.009   7.42 0.071 0.500 0.136 1.832     330.271     370.000      11.398   24 
+    690000      138000.00      32.179      -9.120      23.059   6.10 0.000 1.000 0.227 1.539     291.945     370.000       9.310   24 
+    700000      140000.00      37.967      -4.848      33.118   4.14 0.071 0.750 0.307 1.640     344.452     370.000       8.535   24 
+    710000      142000.00      34.581     -17.869      16.712   5.56 0.214 0.700 0.273 1.296     313.737     350.000       7.503   24 
+    720000      144000.00      31.740      -7.203      24.536   4.67 0.071 0.750 0.295 2.890     287.959     350.000       8.903   24 
+    730000      146000.00      26.973      -7.905      19.068   4.90 0.071 0.667 0.545 1.586     244.713     350.000       9.202   24 
+    740000      148000.00      30.626      -8.319      22.307   7.64 0.000 1.000 0.136 1.583     277.850     350.000      11.698   24 
+    750000      150000.00      42.843      -3.019      39.823   7.03 0.000 1.000 0.212 1.501     388.692     350.000      10.915   24 
+    760000      152000.00      43.742     -18.807      24.934   3.40 0.143 0.750 0.295 1.452     396.847     350.000       7.587   24 
+    770000      154000.00      27.012     -12.878      14.134   5.78 0.071 0.833 0.417 2.127     245.069     350.000       7.337   24 
+    780000      156000.00      31.197     -21.781       9.416   5.03 0.143 0.667 0.311 1.378     283.033     350.000       7.326   24 
+    790000      158000.00      38.463      -9.524      28.939   6.13 0.143 0.500 0.284 1.417     348.952     350.000       9.061   24 
+    800000      160000.00      32.167       3.237      35.404   9.75 0.000   NaN   NaN 1.372     291.834     350.000      14.384   24 
+    810000      162000.00      38.223       7.921      46.144   5.22 0.071 0.667 0.242 1.177     346.775     390.000       9.378   24 
+    820000      164000.00      37.096      13.110      50.206  10.32 0.000 1.000 0.227 2.110     336.554     390.000      13.227   24 
+    830000      166000.00      39.333       7.515      46.848  13.21 0.000   NaN   NaN 1.520     356.848     390.000      16.954   24 
+    840000      168000.00      42.011      -0.877      41.134   6.12 0.000 1.000 0.636 2.277     381.149     390.000       8.623   24 
+    850000      170000.00      29.760     -11.923      17.837   6.17 0.214 0.250 0.216 1.277     269.995     390.000       9.541   24 
+    860000      172000.00      50.446      -2.932      47.514   7.46 0.000 1.000 0.136 0.264     457.672     390.000      12.070   24 
+    870000      174000.00      34.245       9.305      43.550   8.02 0.071 0.667 0.182 1.771     310.691     390.000      11.478   24 
+    880000      176000.00      47.477      -1.465      46.012   7.10 0.000 1.000 0.318 1.559     430.738     390.000      10.392   24 
+    890000      178000.00      41.610      -1.725      39.885   8.16 0.143 0.333 0.152 1.100     377.506     390.000      12.812   24 
+    900000      180000.00      31.512      -3.474      28.038   5.27 0.143 0.667 0.311 1.622     285.891     390.000       8.289   24 
+    910000      182000.00      33.630      10.024      43.654   8.77 0.000   NaN   NaN 2.497     305.108     380.000      12.695   24 
+    920000      184000.00      42.599      -0.118      42.481   7.23 0.071 0.750 0.193 1.881     386.484     380.000       8.907   24 
+    930000      186000.00      33.089      10.053      43.143   8.41 0.000   NaN   NaN 2.250     300.204     380.000      11.152   24 
+    940000      188000.00      37.230       3.714      40.944  10.72 0.071 0.000 0.136 2.136     337.772     380.000      13.540   24 
+    950000      190000.00      44.371       0.483      44.854   8.96 0.143 0.333 0.182 1.159     402.557     380.000      11.138   24 
+    960000      192000.00      42.181       5.739      47.921  10.03 0.000   NaN   NaN 0.868     382.692     380.000      13.427   24 
+    970000      194000.00      41.559       1.852      43.411   7.77 0.071 0.000 0.136 1.112     377.045     380.000      10.212   24 
+    980000      196000.00      40.369       6.657      47.026   8.73 0.000   NaN   NaN 1.665     366.252     380.000      13.060   24 
+    990000      198000.00      34.908       0.821      35.729   6.32 0.000   NaN   NaN 2.270     316.704     380.000      10.711   24 
+   1000000      200000.00      33.529       1.519      35.047   6.58 0.000   NaN   NaN 1.728     304.189     380.000      10.242   24 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB025.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB025.stat
index 5c6b7c4..a23ca39 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB025.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB025.stat
@@ -1,101 +1,101 @@
-         0           0.00      38.284      21.156      59.441  12.87 0.000   NaN   NaN 0.935     347.333     310.000      15.552   25 
-     10000        2000.00      38.691     -22.261      16.430   5.20 0.214 0.625 0.494 1.271     351.028     310.000       7.397   25 
-     20000        4000.00      28.622     -29.758      -1.135   5.84 0.357 0.643 0.289 4.633     259.677     310.000       6.593   25 
-     30000        6000.00      26.508     -35.283      -8.774   4.41 0.357 0.583 0.288 1.223     240.498     310.000       6.838   25 
-     40000        8000.00      28.983     -21.531       7.452   4.06 0.357 0.706 0.412 0.800     262.948     310.000       7.019   25 
-     50000       10000.00      34.009     -34.168      -0.158   4.49 0.286 0.714 0.455 1.448     308.548     310.000       7.178   25 
-     60000       12000.00      28.274     -49.700     -21.426   5.17 0.214 0.824 0.428 1.939     256.518     310.000       7.038   25 
-     70000       14000.00      38.290     -39.562      -1.272   5.63 0.286 0.750 0.369 1.635     347.385     310.000       7.031   25 
-     80000       16000.00      34.449     -43.253      -8.804   4.77 0.214 0.700 0.400 2.732     312.538     310.000       7.375   25 
-     90000       18000.00      24.182     -31.664      -7.481   5.89 0.286 0.600 0.277 1.776     219.395     310.000       7.200   25 
-    100000       20000.00      29.734     -21.619       8.116   4.78 0.214 0.727 0.285 1.336     269.764     310.000       7.654   25 
-    110000       22000.00      27.872     -18.620       9.252   5.07 0.214 0.400 0.191 2.764     252.866     310.000       9.200   25 
-    120000       24000.00      30.982     -42.131     -11.149   2.12 0.500 0.462 0.395 0.988     281.083     310.000       6.749   25 
-    130000       26000.00      29.172     -36.112      -6.940   4.11 0.429 0.500 0.208 2.178     264.667     310.000       7.752   25 
-    140000       28000.00      23.357     -27.529      -4.172   8.20 0.214 0.625 0.170 0.991     211.911     310.000      10.163   25 
-    150000       30000.00      30.020     -36.170      -6.150   3.64 0.214 0.750 0.314 0.854     272.354     310.000       6.969   25 
-    160000       32000.00      28.363     -32.299      -3.936   4.27 0.214 0.786 0.357 2.834     257.327     310.000       7.069   25 
-    170000       34000.00      33.413     -28.618       4.795   7.22 0.214 0.750 0.231 3.444     303.141     310.000       7.694   25 
-    180000       36000.00      28.880     -31.428      -2.548   3.94 0.357 0.615 0.353 1.148     262.010     310.000       6.800   25 
-    190000       38000.00      42.171     -32.160      10.011   7.23 0.214 0.667 0.232 2.368     382.598     310.000      10.337   25 
-    200000       40000.00      37.570     -26.581      10.989   5.75 0.286 0.636 0.211 2.150     340.855     310.000       7.733   25 
-    210000       42000.00      28.903     -39.550     -10.647   2.83 0.571 0.467 0.336 2.368     262.222     300.000       7.146   25 
-    220000       44000.00      20.200     -44.011     -23.810   3.49 0.214 0.727 0.302 1.714     183.267     300.000       6.603   25 
-    230000       46000.00      28.561     -37.154      -8.592   2.93 0.357 0.643 0.237 1.907     259.122     300.000       6.975   25 
-    240000       48000.00      28.760     -39.410     -10.650   3.49 0.143 0.714 0.273 1.647     260.927     300.000       7.136   25 
-    250000       50000.00      29.050     -20.487       8.563   6.33 0.143 0.500 0.182 2.164     263.556     300.000       9.132   25 
-    260000       52000.00      24.694     -34.455      -9.761   3.19 0.571 0.429 0.318 1.455     224.035     300.000       6.984   25 
-    270000       54000.00      30.832     -27.244       3.588   3.70 0.214 0.571 0.299 1.606     279.725     300.000       8.199   25 
-    280000       56000.00      28.832     -41.687     -12.856   5.85 0.214 0.750 0.258 1.375     261.575     300.000       6.571   25 
-    290000       58000.00      36.653     -38.562      -1.909   4.77 0.357 0.615 0.220 2.738     332.535     300.000       7.274   25 
-    300000       60000.00      20.020     -30.851     -10.831   6.27 0.143 0.667 0.182 1.785     181.629     300.000       8.923   25 
-    310000       62000.00      33.183     -26.837       6.346   4.33 0.214 0.786 0.357 1.771     301.052     290.000       7.591   25 
-    320000       64000.00      29.475     -36.280      -6.804   3.62 0.143 0.667 0.250 1.859     267.415     290.000       8.083   25 
-    330000       66000.00      23.823     -49.489     -25.666   4.00 0.500 0.611 0.407 1.523     216.133     290.000       6.341   25 
-    340000       68000.00      29.599     -33.243      -3.645   4.46 0.286 0.714 0.312 1.999     268.534     290.000       6.777   25 
-    350000       70000.00      30.295     -54.365     -24.071   4.45 0.286 0.750 0.420 0.912     274.848     290.000       6.526   25 
-    360000       72000.00      37.028     -41.939      -4.912   5.14 0.214 0.727 0.322 2.200     335.934     290.000       6.537   25 
-    370000       74000.00      24.896     -34.676      -9.780   6.66 0.214 0.824 0.318 1.928     225.868     290.000       6.333   25 
-    380000       76000.00      27.546     -31.253      -3.706   4.85 0.214 0.700 0.245 2.220     249.916     290.000       7.212   25 
-    390000       78000.00      25.624     -42.875     -17.250   6.16 0.214 0.750 0.322 1.993     232.475     290.000       6.617   25 
-    400000       80000.00      32.107     -40.151      -8.044   6.08 0.071 0.889 0.328 2.697     291.295     290.000       7.096   25 
-    410000       82000.00      28.640     -37.828      -9.188   6.83 0.071 0.875 0.369 1.347     259.836     290.000       6.855   25 
-    420000       84000.00      36.567     -33.851       2.717   2.75 0.286 0.600 0.273 1.777     331.757     290.000       6.741   25 
-    430000       86000.00      31.668     -33.688      -2.020   2.76 0.214 0.500 0.379 2.371     287.305     290.000       7.694   25 
-    440000       88000.00      30.716     -55.265     -24.549   3.35 0.429 0.684 0.416 1.002     278.673     290.000       6.485   25 
-    450000       90000.00      28.558     -50.926     -22.368   3.45 0.429 0.625 0.304 1.223     259.095     290.000       6.654   25 
-    460000       92000.00      30.289     -40.331     -10.042   3.47 0.286 0.714 0.347 1.704     274.796     290.000       7.005   25 
-    470000       94000.00      26.607     -29.841      -3.235   5.14 0.286 0.636 0.248 1.560     241.390     290.000       6.869   25 
-    480000       96000.00      21.749     -46.524     -24.774   2.63 0.500 0.611 0.333 1.348     197.322     290.000       6.255   25 
-    490000       98000.00      26.447     -41.570     -15.124   2.93 0.429 0.400 0.223 1.005     239.938     290.000       7.302   25 
-    500000      100000.00      28.851     -42.484     -13.633   2.15 0.357 0.688 0.361 1.031     261.747     290.000       6.664   25 
-    510000      102000.00      30.972     -40.378      -9.406   2.81 0.143 0.818 0.343 1.493     280.998     290.000       6.692   25 
-    520000      104000.00      26.934     -54.130     -27.196   1.94 0.643 0.400 0.276 1.157     244.363     290.000       6.860   25 
-    530000      106000.00      27.904     -46.314     -18.409   2.14 0.429 0.500 0.295 1.854     253.163     290.000       6.968   25 
-    540000      108000.00      27.877     -40.488     -12.612   6.60 0.214 0.812 0.270 1.744     252.910     290.000       6.929   25 
-    550000      110000.00      26.136     -43.801     -17.665   4.57 0.286 0.714 0.218 1.835     237.121     290.000       7.593   25 
-    560000      112000.00      32.574     -37.103      -4.528   4.86 0.286 0.600 0.200 2.664     295.532     290.000       7.716   25 
-    570000      114000.00      29.429     -41.317     -11.888   2.13 0.143 0.800 0.273 1.556     266.994     290.000       6.778   25 
-    580000      116000.00      26.376     -40.249     -13.873   6.40 0.214 0.727 0.231 2.268     239.301     290.000       7.089   25 
-    590000      118000.00      39.284     -38.112       1.171   5.70 0.214 0.727 0.248 2.651     356.401     290.000       6.962   25 
-    600000      120000.00      26.432     -41.508     -15.076   4.59 0.214 0.769 0.287 1.216     239.807     290.000       6.857   25 
-    610000      122000.00      23.647     -45.237     -21.590   4.48 0.214 0.667 0.288 1.847     214.534     280.000       7.428   25 
-    620000      124000.00      29.717     -42.394     -12.677   4.89 0.214 0.750 0.314 2.074     269.608     280.000       7.103   25 
-    630000      126000.00      22.739     -53.416     -30.677   5.45 0.143 0.778 0.258 0.588     206.299     280.000       6.919   25 
-    640000      128000.00      25.639     -40.231     -14.591   6.49 0.214 0.769 0.339 1.848     232.612     280.000       6.622   25 
-    650000      130000.00      25.081     -38.529     -13.447   4.90 0.143 0.714 0.253 1.694     227.551     280.000       7.144   25 
-    660000      132000.00      30.117     -48.536     -18.418   4.90 0.143 0.800 0.259 1.784     273.239     280.000       6.662   25 
-    670000      134000.00      23.452     -36.470     -13.018   5.00 0.286 0.636 0.388 1.132     212.765     280.000       6.605   25 
-    680000      136000.00      23.372     -52.950     -29.579   5.03 0.357 0.643 0.247 0.683     212.040     280.000       6.837   25 
-    690000      138000.00      29.960     -41.469     -11.509   5.30 0.143 0.800 0.264 1.904     271.812     280.000       6.388   25 
-    700000      140000.00      26.679     -44.648     -17.969   5.23 0.143 0.778 0.364 1.741     242.045     280.000       7.160   25 
-    710000      142000.00      22.719     -48.975     -26.257   4.52 0.214 0.769 0.346 1.621     206.118     280.000       6.856   25 
-    720000      144000.00      28.388     -40.068     -11.680   5.03 0.286 0.765 0.353 2.480     257.546     280.000       6.562   25 
-    730000      146000.00      26.625     -47.237     -20.612   5.67 0.143 0.846 0.406 1.467     241.553     280.000       6.522   25 
-    740000      148000.00      33.041     -52.907     -19.866   5.28 0.143 0.867 0.318 1.120     299.765     280.000       6.715   25 
-    750000      150000.00      34.132     -31.397       2.735   5.63 0.214 0.667 0.263 1.681     309.663     280.000       7.204   25 
-    760000      152000.00      21.893     -43.836     -21.943   5.18 0.286 0.667 0.386 1.738     198.621     280.000       6.731   25 
-    770000      154000.00      33.423     -46.051     -12.629   4.43 0.143 0.750 0.284 1.304     303.227     280.000       7.324   25 
-    780000      156000.00      29.080     -54.864     -25.784   4.58 0.500 0.632 0.285 1.925     263.828     280.000       6.933   25 
-    790000      158000.00      26.562     -48.459     -21.896   4.22 0.357 0.615 0.266 2.287     240.988     280.000       7.149   25 
-    800000      160000.00      30.269     -42.944     -12.675   5.61 0.143 0.818 0.438 1.995     274.616     280.000       6.967   25 
-    810000      162000.00      30.876     -32.321      -1.445   5.18 0.000 1.000 0.420 0.870     280.123     320.000       7.479   25 
-    820000      164000.00      24.558     -29.787      -5.230   4.46 0.214 0.667 0.268 1.063     222.799     320.000       7.780   25 
-    830000      166000.00      41.226     -31.037      10.189   5.71 0.143 0.750 0.352 2.070     374.023     320.000       7.029   25 
-    840000      168000.00      22.016     -32.813     -10.797   5.06 0.143 0.778 0.455 1.019     199.741     320.000       7.921   25 
-    850000      170000.00      30.741     -39.044      -8.304   6.20 0.143 0.667 0.189 1.240     278.897     320.000       7.723   25 
-    860000      172000.00      27.703     -33.879      -6.176   5.74 0.071 0.750 0.489 1.770     251.335     320.000       6.954   25 
-    870000      174000.00      39.617     -22.108      17.509   6.25 0.143 0.714 0.422 1.268     359.430     320.000       8.196   25 
-    880000      176000.00      32.457     -27.462       4.996   6.21 0.143 0.750 0.392 1.618     294.469     320.000       6.890   25 
-    890000      178000.00      32.122     -17.094      15.028   4.88 0.000 1.000 0.348 1.394     291.429     320.000       8.173   25 
-    900000      180000.00      23.283     -28.839      -5.556   4.00 0.143 0.800 0.445 1.424     211.231     320.000       8.254   25 
-    910000      182000.00      29.955     -28.398       1.556   3.85 0.214 0.727 0.248 2.221     271.764     320.000       7.179   25 
-    920000      184000.00      33.486     -25.258       8.228   6.84 0.286 0.556 0.212 3.859     303.802     320.000       7.640   25 
-    930000      186000.00      34.150     -13.505      20.645   5.09 0.071 0.800 0.409 2.178     309.824     320.000       7.960   25 
-    940000      188000.00      31.061     -33.658      -2.598   5.06 0.214 0.625 0.352 1.430     281.799     320.000       7.047   25 
-    950000      190000.00      29.181     -26.545       2.636   4.63 0.143 0.714 0.403 1.543     264.744     320.000       8.221   25 
-    960000      192000.00      38.546     -23.413      15.133   5.00 0.000 1.000 0.464 1.894     349.710     320.000       7.793   25 
-    970000      194000.00      33.709     -17.474      16.235   4.18 0.214 0.667 0.429 1.156     305.821     320.000       7.931   25 
-    980000      196000.00      27.587     -12.904      14.682   4.49 0.000 1.000 0.300 1.279     250.279     320.000       7.909   25 
-    990000      198000.00      37.596     -21.258      16.338   4.40 0.143 0.750 0.375 3.929     341.088     320.000       7.429   25 
-   1000000      200000.00      31.165     -19.812      11.354   4.29 0.214 0.750 0.246 2.512     282.747     320.000       7.812   25 
+         0           0.00      35.371      24.554      59.926  12.87 0.000   NaN   NaN 0.711     320.906     370.000      15.552   25 
+     10000        2000.00      33.799     -11.430      22.369   8.73 0.143 0.333 0.167 0.745     306.640     370.000      11.362   25 
+     20000        4000.00      47.269       3.660      50.929   8.78 0.000 1.000 0.136 1.510     428.848     370.000      12.528   25 
+     30000        6000.00      34.759      -4.248      30.511   6.78 0.143 0.500 0.239 0.965     315.350     370.000       8.441   25 
+     40000        8000.00      34.088      -5.456      28.633   5.43 0.000 1.000 0.489 2.518     309.267     370.000       9.855   25 
+     50000       10000.00      33.069       3.460      36.529   7.26 0.143 0.333 0.303 0.892     300.019     370.000       9.714   25 
+     60000       12000.00      29.692      -3.317      26.375   4.85 0.071 0.750 0.318 1.759     269.378     370.000       8.457   25 
+     70000       14000.00      29.495       6.848      36.343  11.38 0.000 1.000 0.136 1.732     267.591     370.000      14.550   25 
+     80000       16000.00      38.104      -7.752      30.352   5.51 0.000 1.000 0.136 0.912     345.702     370.000       9.683   25 
+     90000       18000.00      35.047     -16.985      18.062   7.67 0.071 0.750 0.273 1.048     317.968     370.000       8.431   25 
+    100000       20000.00      46.059       0.282      46.341  10.12 0.071 0.667 0.227 2.009     417.869     370.000      12.780   25 
+    110000       22000.00      36.741      -8.208      28.532   5.76 0.143 0.667 0.182 1.089     333.332     360.000       9.093   25 
+    120000       24000.00      32.609      -2.275      30.334   6.45 0.000 1.000 0.273 2.366     295.843     360.000      10.263   25 
+    130000       26000.00      33.320     -21.441      11.879   5.81 0.000 1.000 0.333 0.828     302.292     360.000       8.872   25 
+    140000       28000.00      42.357      -1.092      41.265   7.84 0.071 0.500 0.205 1.258     384.286     360.000      11.389   25 
+    150000       30000.00      30.343      -6.584      23.759   7.41 0.071 0.833 0.258 1.952     275.285     360.000       8.368   25 
+    160000       32000.00      37.230       9.072      46.301   7.37 0.000   NaN   NaN 1.482     337.767     360.000       9.686   25 
+    170000       34000.00      33.527      -0.788      32.739   7.80 0.071 0.500 0.159 1.508     304.176     360.000      11.950   25 
+    180000       36000.00      41.110       0.352      41.462   8.66 0.071 0.000 0.182 1.089     372.971     360.000      10.699   25 
+    190000       38000.00      42.078       6.603      48.680   8.00 0.000 1.000 0.364 2.854     381.752     360.000      11.834   25 
+    200000       40000.00      49.736       2.526      52.262   9.56 0.000 1.000 0.273 2.725     451.235     360.000      13.230   25 
+    210000       42000.00      37.955       0.096      38.051   5.56 0.000   NaN   NaN 2.819     344.345     360.000       9.642   25 
+    220000       44000.00      34.143       8.531      42.674   5.45 0.000 1.000 0.227 2.124     309.767     360.000       9.813   25 
+    230000       46000.00      39.094      -4.238      34.856   7.04 0.143 0.600 0.327 1.620     354.677     360.000       7.703   25 
+    240000       48000.00      28.334     -13.669      14.665  13.81 0.000   NaN   NaN 2.145     257.058     360.000      17.407   25 
+    250000       50000.00      41.054       1.087      42.142   6.05 0.071 0.750 0.205 4.625     372.468     360.000       9.681   25 
+    260000       52000.00      31.866      -3.070      28.796  10.13 0.071 0.000 0.136 1.673     289.106     360.000      12.261   25 
+    270000       54000.00      26.500      -7.267      19.233   5.61 0.071 0.667 0.227 0.897     240.421     360.000       9.160   25 
+    280000       56000.00      36.331      -3.767      32.564   5.62 0.000 1.000 0.352 1.446     329.612     360.000      10.028   25 
+    290000       58000.00      33.343      -1.672      31.671  12.75 0.000   NaN   NaN 1.380     302.504     360.000      16.617   25 
+    300000       60000.00      38.281       4.139      42.420   6.76 0.000 1.000 0.250 1.506     347.306     360.000      10.036   25 
+    310000       62000.00      37.180      -8.554      28.626   6.46 0.000 1.000 0.386 2.638     337.319     360.000       8.858   25 
+    320000       64000.00      54.553      -3.614      50.940   5.63 0.000 1.000 0.182 3.273     494.937     360.000       9.389   25 
+    330000       66000.00      37.812      -4.385      33.427   5.57 0.000 1.000 0.455 2.814     343.053     360.000       9.561   25 
+    340000       68000.00      29.087     -11.587      17.500   7.22 0.143 0.333 0.212 1.402     263.895     360.000      10.782   25 
+    350000       70000.00      35.763       1.594      37.357   7.14 0.000 1.000 0.182 2.485     324.462     360.000      11.399   25 
+    360000       72000.00      30.759     -15.480      15.279   5.13 0.071 0.833 0.508 1.498     279.064     360.000       8.271   25 
+    370000       74000.00      40.110      -6.929      33.181   5.45 0.071 0.000 0.182 0.934     363.902     360.000       9.859   25 
+    380000       76000.00      37.132     -18.018      19.114   6.67 0.000 1.000 0.273 0.733     336.880     360.000      10.273   25 
+    390000       78000.00      36.976     -14.032      22.944   4.83 0.214 0.500 0.303 2.189     335.465     360.000       8.893   25 
+    400000       80000.00      34.825     -11.987      22.838   6.21 0.286 0.333 0.182 2.377     315.950     360.000       9.474   25 
+    410000       82000.00      35.442     -11.125      24.317   6.04 0.071 0.500 0.227 3.223     321.550     350.000       8.814   25 
+    420000       84000.00      32.668      -4.052      28.616   6.79 0.214 0.800 0.439 1.481     296.385     350.000       7.052   25 
+    430000       86000.00      33.573      -4.735      28.838   6.97 0.071 0.000 0.136 0.888     304.592     350.000       9.671   25 
+    440000       88000.00      31.425     -15.869      15.556   5.30 0.286 0.636 0.293 1.720     285.105     350.000       7.723   25 
+    450000       90000.00      46.246      -3.458      42.789   3.96 0.071 0.750 0.295 1.561     419.571     350.000       7.714   25 
+    460000       92000.00      35.599     -16.023      19.577   6.91 0.071 0.750 0.409 1.706     322.976     350.000       8.036   25 
+    470000       94000.00      25.942      -7.500      18.442   9.02 0.000 1.000 0.182 1.798     235.361     350.000      12.552   25 
+    480000       96000.00      34.107      -6.124      27.983   9.49 0.143 0.500 0.136 2.559     309.440     350.000      12.016   25 
+    490000       98000.00      42.700      -0.822      41.879   4.63 0.143 0.667 0.273 2.341     387.399     350.000       8.573   25 
+    500000      100000.00      27.864      -1.576      26.287   9.22 0.071 0.500 0.227 1.541     252.794     350.000      11.812   25 
+    510000      102000.00      30.806      -5.815      24.991  12.11 0.071 0.500 0.182 1.641     279.485     340.000      15.123   25 
+    520000      104000.00      35.010      -5.880      29.129   8.15 0.071 0.500 0.182 1.463     317.626     340.000      10.285   25 
+    530000      106000.00      34.054     -14.829      19.225   4.33 0.143 0.750 0.472 2.192     308.952     340.000       7.397   25 
+    540000      108000.00      32.667     -10.915      21.752   3.97 0.214 0.400 0.436 3.373     296.371     340.000       7.660   25 
+    550000      110000.00      29.630      -7.417      22.213   4.60 0.071 0.857 0.214 1.657     268.820     340.000       7.241   25 
+    560000      112000.00      28.461     -14.168      14.293   6.11 0.214 0.750 0.470 1.380     258.210     340.000       7.170   25 
+    570000      114000.00      35.689     -14.070      21.619   8.66 0.000   NaN   NaN 0.813     323.785     340.000      13.124   25 
+    580000      116000.00      34.394     -12.027      22.367   7.81 0.143 0.600 0.209 2.121     312.039     340.000       9.726   25 
+    590000      118000.00      30.498      -5.060      25.438   5.60 0.143 0.500 0.364 1.396     276.696     340.000       8.686   25 
+    600000      120000.00      29.026     -22.502       6.524   3.87 0.143 0.600 0.173 1.542     263.340     340.000       8.727   25 
+    610000      122000.00      26.139     -30.315      -4.176   4.73 0.143 0.500 0.341 1.721     237.145     340.000       7.860   25 
+    620000      124000.00      39.304     -12.784      26.521   9.46 0.214 0.250 0.170 1.405     356.590     340.000      11.940   25 
+    630000      126000.00      36.963      -0.268      36.696   4.92 0.000 1.000 0.409 3.218     335.351     340.000       8.656   25 
+    640000      128000.00      38.655       4.433      43.088   7.45 0.000 1.000 0.303 2.737     350.697     340.000       9.737   25 
+    650000      130000.00      28.307     -12.312      15.995   5.91 0.143 0.714 0.370 1.151     256.818     340.000       7.744   25 
+    660000      132000.00      34.010      -4.741      29.269   6.54 0.000 1.000 0.136 1.776     308.556     340.000      10.916   25 
+    670000      134000.00      31.661      -7.344      24.317   5.69 0.000 1.000 0.485 1.234     287.248     340.000       7.857   25 
+    680000      136000.00      34.686     -16.611      18.074   5.45 0.071 0.500 0.205 0.565     314.689     340.000      10.439   25 
+    690000      138000.00      34.693     -10.979      23.713   7.10 0.143 0.714 0.195 0.814     314.748     340.000       9.496   25 
+    700000      140000.00      26.302       3.752      30.054   6.57 0.000 1.000 0.227 2.466     238.623     340.000      10.919   25 
+    710000      142000.00      37.294     -15.043      22.251   5.85 0.214 0.667 0.525 2.045     338.347     400.000       7.382   25 
+    720000      144000.00      33.630      12.938      46.568   5.65 0.000   NaN   NaN 2.382     305.108     400.000       9.165   25 
+    730000      146000.00      39.222       0.086      39.309   8.11 0.071 0.000 0.136 3.806     355.844     400.000      12.127   25 
+    740000      148000.00      34.774      13.233      48.007   8.56 0.000 1.000 0.136 1.699     315.486     400.000      11.177   25 
+    750000      150000.00      34.836       9.195      44.031   6.49 0.000   NaN   NaN 2.821     316.052     400.000      11.485   25 
+    760000      152000.00      29.586       6.085      35.671   9.71 0.000   NaN   NaN 2.299     268.416     400.000      13.734   25 
+    770000      154000.00      37.507      -2.641      34.866   8.29 0.000   NaN   NaN 2.894     340.286     400.000      11.487   25 
+    780000      156000.00      33.349      -4.857      28.492   5.36 0.000 1.000 0.591 0.953     302.557     400.000       8.765   25 
+    790000      158000.00      36.647       9.686      46.333   5.60 0.071 0.000 0.136 3.328     332.477     400.000      10.585   25 
+    800000      160000.00      37.949      -2.551      35.398   7.49 0.000   NaN   NaN 1.546     344.290     400.000      11.889   25 
+    810000      162000.00      34.350      -5.639      28.711   8.49 0.000 1.000 0.205 3.768     311.642     380.000      11.212   25 
+    820000      164000.00      24.089      -8.888      15.201   8.08 0.000 1.000 0.341 0.993     218.544     380.000       9.255   25 
+    830000      166000.00      31.072     -16.393      14.678   5.92 0.071 0.800 0.427 1.704     281.897     380.000       8.342   25 
+    840000      168000.00      49.427       3.430      52.857   7.65 0.071 0.000 0.136 2.128     448.429     380.000      11.780   25 
+    850000      170000.00      33.764      -1.292      32.472   5.70 0.000 1.000 0.482 1.355     306.322     380.000       9.667   25 
+    860000      172000.00      42.433      15.439      57.872   7.27 0.000 1.000 0.136 2.510     384.976     380.000      11.382   25 
+    870000      174000.00      28.321       2.450      30.772   6.62 0.071 0.000 0.136 2.159     256.944     380.000      10.724   25 
+    880000      176000.00      32.025       6.670      38.695   6.89 0.000   NaN   NaN 1.426     290.549     380.000      10.314   25 
+    890000      178000.00      42.226       0.015      42.241   6.98 0.000   NaN   NaN 1.718     383.099     380.000      11.994   25 
+    900000      180000.00      36.348      -2.966      33.382  10.17 0.143 0.000 0.159 3.100     329.770     380.000      13.130   25 
+    910000      182000.00      30.341      11.302      41.643   8.03 0.000   NaN   NaN 2.689     275.273     370.000      11.816   25 
+    920000      184000.00      37.064       4.806      41.870  10.48 0.000   NaN   NaN 3.448     336.260     370.000      14.598   25 
+    930000      186000.00      34.357       5.727      40.083   9.15 0.000   NaN   NaN 1.875     311.703     370.000      13.485   25 
+    940000      188000.00      36.780      -7.832      28.948  10.90 0.143 0.000 0.159 2.159     333.685     370.000      14.302   25 
+    950000      190000.00      30.280     -19.398      10.882   5.87 0.143 0.750 0.420 1.927     274.720     370.000       6.800   25 
+    960000      192000.00      30.276     -10.781      19.495   6.45 0.071 0.800 0.264 0.874     274.681     370.000       8.296   25 
+    970000      194000.00      35.889      -9.885      26.004   4.97 0.214 0.500 0.379 2.841     325.606     370.000       8.202   25 
+    980000      196000.00      41.136      -1.133      40.003   4.01 0.143 0.500 0.352 1.213     373.211     370.000       7.757   25 
+    990000      198000.00      33.380      -4.710      28.670   6.76 0.000 1.000 0.311 2.044     302.841     370.000       8.776   25 
+   1000000      200000.00      39.236       1.015      40.251   6.16 0.071 0.750 0.239 1.187     355.974     370.000       8.723   25 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB026.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB026.stat
index 18c94ca..42e6b32 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB026.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB026.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.244      21.156      54.400  12.87 0.000   NaN   NaN 0.935     301.607     310.000      15.552   26 
-     10000        2000.00      31.128     -32.274      -1.146   4.11 0.214 0.727 0.376 1.914     282.410     310.000       7.456   26 
-     20000        4000.00      33.590     -28.595       4.995   4.73 0.214 0.571 0.234 1.752     304.745     310.000       7.612   26 
-     30000        6000.00      26.717     -35.729      -9.012   5.84 0.286 0.733 0.273 2.401     242.390     310.000       6.900   26 
-     40000        8000.00      31.694     -32.039      -0.345   6.19 0.143 0.667 0.303 0.934     287.546     310.000       8.373   26 
-     50000       10000.00      30.914     -23.056       7.859   5.17 0.143 0.833 0.261 2.594     280.469     310.000       7.533   26 
-     60000       12000.00      29.968     -39.116      -9.148   5.85 0.214 0.750 0.333 1.720     271.890     310.000       7.374   26 
-     70000       14000.00      30.902     -36.588      -5.687   3.83 0.286 0.692 0.343 1.979     280.356     310.000       6.888   26 
-     80000       16000.00      24.870     -39.126     -14.256   5.90 0.214 0.727 0.339 1.282     225.634     310.000       6.853   26 
-     90000       18000.00      30.358     -31.164      -0.807   5.06 0.071 0.875 0.290 2.567     275.420     310.000       7.253   26 
-    100000       20000.00      27.561     -34.925      -7.364   4.54 0.214 0.769 0.297 2.186     250.052     310.000       7.105   26 
-    110000       22000.00      27.837     -36.168      -8.331   4.78 0.286 0.600 0.332 2.757     252.550     300.000       6.660   26 
-    120000       24000.00      28.553     -38.847     -10.294   5.25 0.357 0.615 0.360 2.043     259.044     300.000       6.705   26 
-    130000       26000.00      26.858     -41.190     -14.332   2.52 0.357 0.643 0.237 1.409     243.668     300.000       7.059   26 
-    140000       28000.00      40.243     -42.759      -2.516   6.03 0.143 0.818 0.194 1.899     365.104     300.000       7.457   26 
-    150000       30000.00      30.092     -31.274      -1.182   6.54 0.214 0.727 0.223 2.183     273.009     300.000       7.079   26 
-    160000       32000.00      26.114     -28.467      -2.354   6.83 0.214 0.500 0.182 0.776     236.916     300.000       8.512   26 
-    170000       34000.00      23.158     -40.138     -16.981   6.87 0.286 0.600 0.209 1.362     210.098     300.000       7.472   26 
-    180000       36000.00      32.279     -45.069     -12.790   3.42 0.286 0.750 0.355 1.610     292.852     300.000       6.697   26 
-    190000       38000.00      27.438     -39.957     -12.519   4.35 0.357 0.545 0.293 1.755     248.932     300.000       6.752   26 
-    200000       40000.00      23.633     -50.917     -27.284   3.30 0.357 0.583 0.299 1.433     214.411     300.000       6.619   26 
-    210000       42000.00      27.158     -46.677     -19.519   4.50 0.143 0.857 0.357 1.600     246.390     290.000       6.270   26 
-    220000       44000.00      27.880     -30.107      -2.227   3.11 0.429 0.600 0.294 2.978     252.938     290.000       7.020   26 
-    230000       46000.00      30.521     -43.548     -13.028   5.56 0.214 0.786 0.224 1.269     276.899     290.000       7.385   26 
-    240000       48000.00      30.487     -45.468     -14.982   2.07 0.571 0.429 0.325 1.021     276.593     290.000       6.855   26 
-    250000       50000.00      29.967     -51.648     -21.682   2.18 0.643 0.438 0.284 2.048     271.872     290.000       6.593   26 
-    260000       52000.00      26.627     -34.211      -7.584   8.65 0.214 0.500 0.167 1.374     241.574     290.000      11.890   26 
-    270000       54000.00      29.509     -47.244     -17.734   4.59 0.286 0.636 0.215 2.185     267.722     290.000       7.449   26 
-    280000       56000.00      28.064     -46.598     -18.534   2.79 0.214 0.800 0.297 1.683     254.614     290.000       6.679   26 
-    290000       58000.00      35.099     -47.065     -11.966   2.91 0.357 0.688 0.281 1.581     318.435     290.000       6.658   26 
-    300000       60000.00      28.128     -52.361     -24.233   2.79 0.357 0.615 0.329 1.941     255.190     290.000       6.551   26 
-    310000       62000.00      21.948     -38.826     -16.878   2.36 0.429 0.571 0.273 1.663     199.124     290.000       6.669   26 
-    320000       64000.00      27.815     -46.661     -18.845   1.81 0.357 0.545 0.273 1.136     252.356     290.000       6.848   26 
-    330000       66000.00      36.104     -42.997      -6.893   4.39 0.357 0.643 0.373 1.425     327.555     290.000       6.984   26 
-    340000       68000.00      29.489     -36.577      -7.088   6.96 0.214 0.750 0.235 2.975     267.536     290.000       7.458   26 
-    350000       70000.00      27.233     -26.330       0.903   5.79 0.286 0.714 0.321 2.420     247.076     290.000       6.507   26 
-    360000       72000.00      21.151     -46.670     -25.519   5.51 0.143 0.818 0.298 2.358     191.893     290.000       6.779   26 
-    370000       74000.00      25.917     -28.456      -2.539   7.94 0.143 0.714 0.156 1.466     235.130     290.000       9.489   26 
-    380000       76000.00      26.466     -28.698      -2.232   3.78 0.143 0.600 0.173 1.234     240.110     290.000       7.776   26 
-    390000       78000.00      30.180     -30.233      -0.053   3.19 0.286 0.636 0.318 3.869     273.804     290.000       6.818   26 
-    400000       80000.00      30.646     -48.010     -17.365   5.13 0.214 0.750 0.246 0.790     278.033     290.000       6.727   26 
-    410000       82000.00      31.503     -31.498       0.005   5.28 0.071 0.875 0.227 2.098     285.815     300.000       8.125   26 
-    420000       84000.00      28.082     -39.762     -11.680   4.20 0.286 0.750 0.381 1.861     254.777     300.000       6.275   26 
-    430000       86000.00      30.383     -34.301      -3.917   3.64 0.286 0.636 0.302 1.519     275.653     300.000       6.973   26 
-    440000       88000.00      30.823     -36.963      -6.140   4.12 0.286 0.733 0.248 1.191     279.641     300.000       6.650   26 
-    450000       90000.00      32.137     -39.123      -6.986   4.14 0.214 0.500 0.182 1.656     291.562     300.000       8.075   26 
-    460000       92000.00      31.856     -36.741      -4.885   3.16 0.429 0.400 0.250 1.977     289.018     300.000       6.937   26 
-    470000       94000.00      31.884     -28.717       3.166   3.57 0.143 0.600 0.255 2.299     289.265     300.000       7.824   26 
-    480000       96000.00      31.359     -36.897      -5.539   3.32 0.429 0.538 0.290 1.633     284.501     300.000       6.581   26 
-    490000       98000.00      29.721     -40.150     -10.428   3.62 0.429 0.600 0.367 2.111     269.646     300.000       6.468   26 
-    500000      100000.00      23.657     -32.178      -8.521   4.56 0.143 0.600 0.236 1.672     214.627     300.000       7.790   26 
-    510000      102000.00      26.667     -42.648     -15.981   2.78 0.286 0.556 0.384 0.830     241.934     300.000       6.967   26 
-    520000      104000.00      31.917     -27.376       4.540   4.38 0.214 0.400 0.182 2.822     289.565     300.000       8.439   26 
-    530000      106000.00      29.993     -20.551       9.441   6.65 0.214 0.400 0.145 1.339     272.110     300.000       9.671   26 
-    540000      108000.00      38.038     -38.470      -0.432   4.30 0.357 0.706 0.412 2.370     345.099     300.000       6.557   26 
-    550000      110000.00      31.875     -25.843       6.032   6.32 0.286 0.636 0.215 2.354     289.188     300.000       7.771   26 
-    560000      112000.00      29.022     -36.354      -7.332   7.10 0.214 0.625 0.278 2.830     263.302     300.000       7.070   26 
-    570000      114000.00      30.116     -24.508       5.608   6.13 0.143 0.818 0.368 1.085     273.228     300.000       6.930   26 
-    580000      116000.00      34.128     -38.536      -4.407   2.19 0.500 0.533 0.309 2.074     309.629     300.000       6.697   26 
-    590000      118000.00      26.749     -29.856      -3.107   3.77 0.143 0.750 0.284 2.392     242.678     300.000       7.621   26 
-    600000      120000.00      31.056     -25.235       5.821   6.23 0.214 0.800 0.297 2.202     281.756     300.000       6.906   26 
-    610000      122000.00      25.539     -42.539     -16.999   3.36 0.357 0.583 0.307 0.837     231.706     300.000       7.264   26 
-    620000      124000.00      29.059     -37.985      -8.927   2.95 0.429 0.455 0.293 1.922     263.636     300.000       6.812   26 
-    630000      126000.00      24.630     -40.556     -15.926   2.79 0.286 0.556 0.242 1.522     223.454     300.000       7.132   26 
-    640000      128000.00      21.165     -29.439      -8.274   4.43 0.214 0.700 0.341 2.098     192.020     300.000       6.992   26 
-    650000      130000.00      29.393     -28.019       1.375   4.92 0.143 0.778 0.369 2.044     266.672     300.000       7.335   26 
-    660000      132000.00      29.476     -34.276      -4.800   5.91 0.214 0.800 0.312 1.486     267.418     300.000       6.906   26 
-    670000      134000.00      32.505     -32.921      -0.416   4.88 0.429 0.250 0.261 1.945     294.906     300.000       7.635   26 
-    680000      136000.00      33.620     -32.495       1.125   4.49 0.214 0.727 0.351 1.505     305.014     300.000       7.183   26 
-    690000      138000.00      37.812     -30.348       7.464   4.59 0.357 0.615 0.255 1.243     343.046     300.000       6.998   26 
-    700000      140000.00      33.349     -31.112       2.237   4.67 0.357 0.688 0.338 1.160     302.557     300.000       7.271   26 
-    710000      142000.00      33.056     -27.223       5.833   5.62 0.286 0.667 0.212 1.780     299.900     310.000       7.741   26 
-    720000      144000.00      34.898     -25.224       9.674   5.66 0.214 0.667 0.242 1.320     316.615     310.000       7.734   26 
-    730000      146000.00      28.681     -32.142      -3.461   4.98 0.214 0.769 0.374 1.759     260.206     310.000       6.722   26 
-    740000      148000.00      30.218     -35.554      -5.336   6.27 0.286 0.600 0.200 2.089     274.152     310.000       7.452   26 
-    750000      150000.00      22.867     -36.784     -13.917   6.11 0.214 0.625 0.278 1.545     207.463     310.000       8.268   26 
-    760000      152000.00      30.258     -32.659      -2.401   3.85 0.214 0.667 0.338 1.235     274.515     310.000       7.389   26 
-    770000      154000.00      30.431     -39.780      -9.349   4.15 0.357 0.615 0.322 1.873     276.088     310.000       7.088   26 
-    780000      156000.00      31.607     -24.350       7.256   3.27 0.214 0.500 0.189 2.625     286.752     310.000       8.071   26 
-    790000      158000.00      25.528     -18.872       6.656   4.17 0.143 0.667 0.242 1.031     231.603     310.000       7.045   26 
-    800000      160000.00      28.413     -46.575     -18.162   3.81 0.143 0.857 0.377 3.196     257.780     310.000       6.873   26 
-    810000      162000.00      31.419     -38.444      -7.025   2.33 0.500 0.588 0.326 2.264     285.050     300.000       6.722   26 
-    820000      164000.00      20.820     -46.841     -26.021   6.23 0.286 0.636 0.194 1.011     188.891     300.000       8.345   26 
-    830000      166000.00      24.828     -38.634     -13.805   6.16 0.143 0.778 0.278 0.686     225.256     300.000       6.911   26 
-    840000      168000.00      27.134     -37.412     -10.277   6.23 0.286 0.733 0.345 1.022     246.178     300.000       6.821   26 
-    850000      170000.00      38.892     -43.509      -4.617   6.76 0.214 0.667 0.212 1.511     352.848     300.000       7.368   26 
-    860000      172000.00      26.111     -39.163     -13.052   5.03 0.143 0.833 0.360 1.551     236.888     300.000       6.630   26 
-    870000      174000.00      27.127     -39.224     -12.097   5.38 0.143 0.778 0.318 1.218     246.106     300.000       7.603   26 
-    880000      176000.00      30.265     -35.428      -5.163   7.35 0.143 0.714 0.182 2.450     274.580     300.000       8.955   26 
-    890000      178000.00      26.055     -35.048      -8.993   4.86 0.071 0.900 0.195 1.605     236.385     300.000       7.670   26 
-    900000      180000.00      34.957     -32.313       2.645   3.88 0.143 0.714 0.188 1.974     317.152     300.000       7.628   26 
-    910000      182000.00      32.376     -42.172      -9.796   4.24 0.429 0.500 0.201 2.412     293.735     300.000       7.636   26 
-    920000      184000.00      26.545     -40.956     -14.411   5.30 0.286 0.692 0.350 1.848     240.830     300.000       6.946   26 
-    930000      186000.00      26.712     -36.681      -9.968   6.11 0.143 0.714 0.169 1.265     242.349     300.000       8.601   26 
-    940000      188000.00      26.400     -29.805      -3.405   7.44 0.286 0.500 0.222 1.863     239.514     300.000       8.032   26 
-    950000      190000.00      25.097     -32.704      -7.607   5.07 0.286 0.556 0.288 1.718     227.692     300.000       7.379   26 
-    960000      192000.00      30.667     -42.854     -12.187   4.62 0.286 0.636 0.227 1.475     278.228     300.000       7.367   26 
-    970000      194000.00      32.029     -38.216      -6.187   4.94 0.071 0.875 0.392 1.468     290.581     300.000       7.504   26 
-    980000      196000.00      24.629     -39.206     -14.576   4.86 0.286 0.556 0.207 1.350     223.449     300.000       7.516   26 
-    990000      198000.00      29.189     -31.597      -2.408   4.93 0.143 0.600 0.155 1.223     264.814     300.000       8.777   26 
-   1000000      200000.00      27.748     -37.238      -9.490   6.44 0.286 0.556 0.227 1.667     251.740     300.000       7.731   26 
+         0           0.00      33.146      24.549      57.695  12.87 0.000   NaN   NaN 0.712     300.719     380.000      15.552   26 
+     10000        2000.00      42.682      -2.990      39.693   4.90 0.214 0.400 0.227 2.453     387.235     380.000       8.310   26 
+     20000        4000.00      41.217      -7.306      33.910   7.28 0.000 1.000 0.227 1.770     373.937     380.000       9.144   26 
+     30000        6000.00      29.264      -0.504      28.759   6.14 0.000 1.000 0.136 1.767     265.494     380.000       8.954   26 
+     40000        8000.00      39.357      -8.403      30.955   4.23 0.071 0.667 0.152 1.611     357.070     380.000       8.450   26 
+     50000       10000.00      37.054       2.499      39.553   9.96 0.071 0.000 0.136 2.272     336.175     380.000      12.676   26 
+     60000       12000.00      38.820      -1.074      37.746   7.00 0.000 1.000 0.182 1.008     352.192     380.000       9.835   26 
+     70000       14000.00      40.513      -1.766      38.747   8.53 0.000 1.000 0.242 2.629     367.550     380.000      10.486   26 
+     80000       16000.00      45.467      -2.883      42.584   6.59 0.071 0.000 0.136 0.950     412.498     380.000       9.473   26 
+     90000       18000.00      34.292      -6.907      27.385   5.27 0.214 0.625 0.244 2.292     311.113     380.000       8.936   26 
+    100000       20000.00      35.102      -1.133      33.969   4.85 0.143 0.333 0.152 3.151     318.462     380.000       8.666   26 
+    110000       22000.00      32.678     -11.519      21.159   4.48 0.143 0.750 0.449 1.463     296.469     360.000       7.489   26 
+    120000       24000.00      32.844       2.479      35.323   8.81 0.000   NaN   NaN 1.269     297.977     360.000      11.884   26 
+    130000       26000.00      42.180      -1.556      40.624  12.59 0.000   NaN   NaN 1.301     382.677     360.000      16.029   26 
+    140000       28000.00      37.691       1.708      39.398   6.62 0.071 0.500 0.409 2.568     341.948     360.000       9.412   26 
+    150000       30000.00      45.193      -1.026      44.166  10.23 0.071 0.500 0.159 1.934     410.011     360.000      12.751   26 
+    160000       32000.00      40.741       5.786      46.527   6.61 0.000   NaN   NaN 1.560     369.621     360.000       9.731   26 
+    170000       34000.00      43.529       4.518      48.047   6.33 0.000 1.000 0.182 1.312     394.920     360.000       9.993   26 
+    180000       36000.00      40.036       1.739      41.775   8.85 0.000 1.000 0.227 1.129     363.230     360.000      12.280   26 
+    190000       38000.00      30.325      -1.194      29.132   5.27 0.000 1.000 0.341 1.408     275.125     360.000       9.448   26 
+    200000       40000.00      33.986      -4.004      29.982   7.66 0.071 0.500 0.205 1.892     308.334     360.000      11.800   26 
+    210000       42000.00      32.609     -12.451      20.158   7.14 0.143 0.600 0.209 2.640     295.844     340.000       8.555   26 
+    220000       44000.00      29.262     -10.803      18.460   7.25 0.000 1.000 0.273 2.633     265.483     340.000       9.985   26 
+    230000       46000.00      29.717      -5.361      24.356   7.83 0.071 0.000 0.136 1.344     269.610     340.000      12.214   26 
+    240000       48000.00      35.050      -3.863      31.188   5.63 0.071 0.500 0.477 0.928     317.993     340.000       9.406   26 
+    250000       50000.00      33.419       3.606      37.025  12.55 0.000   NaN   NaN 1.236     303.195     340.000      15.999   26 
+    260000       52000.00      34.592       0.113      34.705   9.70 0.000   NaN   NaN 1.984     313.835     340.000      13.497   26 
+    270000       54000.00      33.017      -8.787      24.229   8.08 0.071 0.500 0.182 1.938     299.545     340.000      11.034   26 
+    280000       56000.00      28.079     -12.138      15.941   5.43 0.071 0.500 0.205 1.543     254.749     340.000       9.981   26 
+    290000       58000.00      34.900      -0.581      34.319   8.32 0.071 0.750 0.227 1.679     316.632     340.000      10.971   26 
+    300000       60000.00      33.834      -8.016      25.818   6.41 0.143 0.600 0.373 2.277     306.959     340.000       8.050   26 
+    310000       62000.00      27.817      -7.715      20.102   4.84 0.143 0.500 0.295 1.662     252.374     340.000       7.929   26 
+    320000       64000.00      34.876      -8.649      26.227   8.97 0.071 0.667 0.136 4.420     316.415     340.000      12.289   26 
+    330000       66000.00      34.619       9.942      44.561   7.19 0.071 0.800 0.345 1.646     314.080     340.000       7.438   26 
+    340000       68000.00      46.607      -6.511      40.096   5.84 0.000   NaN   NaN 2.038     422.841     340.000       9.325   26 
+    350000       70000.00      33.173      -5.230      27.943   8.26 0.071 0.500 0.159 2.876     300.962     340.000      11.408   26 
+    360000       72000.00      34.342      -4.275      30.066  11.43 0.000   NaN   NaN 1.825     311.564     340.000      14.684   26 
+    370000       74000.00      42.042      -5.004      37.038   6.39 0.071 0.833 0.455 2.324     381.423     340.000       7.557   26 
+    380000       76000.00      41.821     -19.642      22.179   5.90 0.071 0.857 0.247 1.472     379.421     340.000       7.403   26 
+    390000       78000.00      36.072       1.387      37.459   9.38 0.071 0.000 0.136 2.651     327.260     340.000      12.459   26 
+    400000       80000.00      24.179     -14.270       9.909   7.67 0.071 0.500 0.159 2.294     219.362     340.000      10.544   26 
+    410000       82000.00      28.798      -4.511      24.288   4.60 0.071 0.800 0.455 3.513     261.274     370.000       7.494   26 
+    420000       84000.00      29.980       0.512      30.492   4.87 0.071 0.750 0.545 0.891     271.994     370.000       8.086   26 
+    430000       86000.00      39.806     -25.381      14.425   5.88 0.071 0.900 0.386 1.173     361.139     370.000       7.210   26 
+    440000       88000.00      35.933      -4.506      31.427   7.44 0.071 0.667 0.242 3.845     325.999     370.000      10.658   26 
+    450000       90000.00      41.796      -4.333      37.462   7.21 0.143 0.714 0.195 2.818     379.191     370.000       9.895   26 
+    460000       92000.00      29.701       6.902      36.603   7.47 0.000   NaN   NaN 1.912     269.466     370.000      10.713   26 
+    470000       94000.00      25.282      -8.473      16.809   6.61 0.071 0.833 0.424 1.739     229.375     370.000       8.242   26 
+    480000       96000.00      39.948      -2.369      37.578   6.30 0.000 1.000 0.227 2.345     362.426     370.000       8.507   26 
+    490000       98000.00      43.263      -6.747      36.515   5.28 0.000 1.000 0.409 2.378     392.500     370.000       8.220   26 
+    500000      100000.00      37.781      -6.209      31.572   5.06 0.143 0.667 0.364 1.428     342.769     370.000       8.028   26 
+    510000      102000.00      41.221      -1.924      39.297   5.08 0.143 0.333 0.424 2.709     373.980     360.000       9.844   26 
+    520000      104000.00      40.578       1.634      42.211   6.55 0.000   NaN   NaN 1.446     368.140     360.000      11.015   26 
+    530000      106000.00      33.811      -2.975      30.836   8.85 0.000   NaN   NaN 1.774     306.748     360.000      13.409   26 
+    540000      108000.00      44.404     -11.528      32.876   5.73 0.143 0.500 0.534 3.652     402.859     360.000       8.136   26 
+    550000      110000.00      42.300      10.205      52.504   5.61 0.000 1.000 0.364 1.812     383.767     360.000       9.030   26 
+    560000      112000.00      34.543      -3.508      31.035   5.55 0.071 0.500 0.341 1.515     313.388     360.000       9.842   26 
+    570000      114000.00      45.648      -6.106      39.542   6.62 0.071 0.667 0.318 1.654     414.146     360.000       7.569   26 
+    580000      116000.00      34.674     -13.811      20.862   4.49 0.071 0.500 0.432 1.277     314.577     360.000       8.274   26 
+    590000      118000.00      35.252      -3.745      31.506   7.15 0.071 0.000 0.136 1.108     319.822     360.000       9.530   26 
+    600000      120000.00      44.736     -12.114      32.622   8.88 0.143 0.000 0.159 0.805     405.871     360.000      12.817   26 
+    610000      122000.00      39.261     -13.246      26.015   4.72 0.143 0.778 0.379 1.762     356.196     360.000       7.349   26 
+    620000      124000.00      28.787       1.723      30.510   5.25 0.143 0.500 0.239 1.628     261.171     360.000       8.665   26 
+    630000      126000.00      46.137      -8.328      37.809   9.58 0.071 0.000 0.182 1.972     418.580     360.000      12.051   26 
+    640000      128000.00      43.229      -0.696      42.534   9.85 0.071 0.000 0.136 2.773     392.199     360.000      13.717   26 
+    650000      130000.00      28.634       1.260      29.894   7.22 0.071 0.750 0.182 1.291     259.779     360.000      10.949   26 
+    660000      132000.00      37.839      -4.759      33.080   5.84 0.000 1.000 0.409 1.481     343.297     360.000       9.659   26 
+    670000      134000.00      36.578     -12.204      24.374   6.19 0.143 0.750 0.318 2.491     331.852     360.000       7.560   26 
+    680000      136000.00      30.382      10.128      40.511  10.29 0.143 0.333 0.167 1.625     275.644     360.000      12.819   26 
+    690000      138000.00      39.373       2.628      42.001   7.86 0.000   NaN   NaN 2.168     357.212     360.000      10.272   26 
+    700000      140000.00      42.069       6.878      48.947   6.21 0.000 1.000 0.273 1.326     381.673     360.000      10.879   26 
+    710000      142000.00      42.053      -5.672      36.381   9.05 0.000 1.000 0.136 1.359     381.524     400.000      13.578   26 
+    720000      144000.00      50.114       5.359      55.473  12.00 0.000   NaN   NaN 2.284     454.662     400.000      15.514   26 
+    730000      146000.00      32.881      12.994      45.874   7.39 0.000   NaN   NaN 3.379     298.311     400.000      10.386   26 
+    740000      148000.00      40.377       0.866      41.242   6.30 0.000 1.000 0.136 2.087     366.319     400.000       8.786   26 
+    750000      150000.00      30.436       3.883      34.319   6.55 0.000 1.000 0.379 3.145     276.132     400.000       8.244   26 
+    760000      152000.00      44.047      17.025      61.072   7.77 0.071 0.000 0.136 5.990     399.613     400.000      12.486   26 
+    770000      154000.00      49.664       3.918      53.582   8.57 0.000 1.000 0.242 3.073     450.577     400.000      10.033   26 
+    780000      156000.00      49.097       1.001      50.098   6.88 0.000 1.000 0.182 2.045     445.434     400.000      10.843   26 
+    790000      158000.00      38.059       3.333      41.393   8.87 0.000   NaN   NaN 0.786     345.295     400.000      11.664   26 
+    800000      160000.00      38.287      15.550      53.837   7.37 0.000   NaN   NaN 2.270     347.355     400.000      10.586   26 
+    810000      162000.00      32.584       2.543      35.127   6.33 0.000 1.000 0.227 1.963     295.620     400.000      10.026   26 
+    820000      164000.00      32.918       8.879      41.797  12.42 0.071 0.000 0.136 3.962     298.650     400.000      15.781   26 
+    830000      166000.00      38.682       0.596      39.278   5.02 0.071 0.800 0.300 1.653     350.945     400.000       8.881   26 
+    840000      168000.00      42.326       0.612      42.938   7.18 0.000   NaN   NaN 2.473     384.006     400.000      10.525   26 
+    850000      170000.00      38.404       6.819      45.223  11.05 0.000   NaN   NaN 1.915     348.425     400.000      14.779   26 
+    860000      172000.00      36.310      -3.172      33.138   5.76 0.000 1.000 0.455 1.172     329.423     400.000      10.857   26 
+    870000      174000.00      39.435      -0.922      38.512   5.71 0.000 1.000 0.500 2.273     357.771     400.000       8.905   26 
+    880000      176000.00      41.719       3.317      45.036  10.41 0.000   NaN   NaN 2.255     378.495     400.000      13.534   26 
+    890000      178000.00      40.811      15.126      55.937   6.59 0.000 1.000 0.136 1.754     370.259     400.000      10.061   26 
+    900000      180000.00      40.898      10.758      51.656   9.96 0.000   NaN   NaN 4.915     371.047     400.000      14.355   26 
+    910000      182000.00      44.805       6.251      51.055   8.36 0.000   NaN   NaN 1.549     406.491     390.000      12.213   26 
+    920000      184000.00      42.734      -1.596      41.138   6.96 0.071 0.500 0.205 1.110     387.707     390.000      10.442   26 
+    930000      186000.00      38.894      -5.151      33.743  11.16 0.071 0.000 0.182 1.621     352.869     390.000      13.660   26 
+    940000      188000.00      37.295      -1.975      35.320   7.61 0.000 1.000 0.205 1.017     338.356     390.000       9.913   26 
+    950000      190000.00      33.654       8.124      41.778   5.77 0.071 0.000 0.136 1.620     305.325     390.000       9.998   26 
+    960000      192000.00      38.771       8.154      46.924   8.10 0.000 1.000 0.295 1.750     351.749     390.000      10.801   26 
+    970000      194000.00      26.043      -2.761      23.282   9.61 0.071 0.667 0.182 1.796     236.276     390.000      13.215   26 
+    980000      196000.00      40.648      -3.073      37.575   9.81 0.071 0.000 0.136 1.720     368.779     390.000      12.327   26 
+    990000      198000.00      36.731      -6.829      29.902   5.04 0.071 0.857 0.442 1.562     333.243     390.000       8.630   26 
+   1000000      200000.00      32.851       3.607      36.458   6.21 0.000 1.000 0.273 1.952     298.043     390.000       9.056   26 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB027.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB027.stat
index 8e8cb32..2643edc 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB027.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB027.stat
@@ -1,101 +1,101 @@
-         0           0.00      37.826      21.156      58.983  12.87 0.000   NaN   NaN 0.935     343.181     310.000      15.552   27 
-     10000        2000.00      32.822     -42.032      -9.210   3.63 0.286 0.600 0.386 1.354     297.776     310.000       7.409   27 
-     20000        4000.00      28.496     -35.716      -7.221   2.73 0.357 0.583 0.428 1.648     258.526     310.000       7.163   27 
-     30000        6000.00      27.324     -27.195       0.130   7.30 0.214 0.500 0.174 1.821     247.900     310.000       8.568   27 
-     40000        8000.00      31.707     -30.930       0.777   6.22 0.214 0.700 0.264 2.245     287.660     310.000       7.380   27 
-     50000       10000.00      39.472     -29.396      10.077   6.95 0.286 0.429 0.169 2.559     358.115     310.000       7.990   27 
-     60000       12000.00      29.188     -26.064       3.124   3.76 0.071 0.900 0.373 1.427     264.808     310.000       7.793   27 
-     70000       14000.00      26.451     -27.293      -0.842   5.17 0.143 0.714 0.286 3.352     239.977     310.000       7.003   27 
-     80000       16000.00      33.916     -36.938      -3.021   6.34 0.214 0.750 0.337 2.724     307.707     310.000       6.549   27 
-     90000       18000.00      36.460     -25.331      11.129   6.60 0.071 0.800 0.182 1.382     330.783     310.000      10.716   27 
-    100000       20000.00      33.982     -34.256      -0.274   2.54 0.357 0.500 0.295 1.209     308.306     310.000       7.113   27 
-    110000       22000.00      28.428     -39.362     -10.934   3.28 0.214 0.625 0.193 2.010     257.915     300.000       7.271   27 
-    120000       24000.00      32.278     -40.191      -7.913   5.58 0.143 0.667 0.280 1.241     292.844     300.000       7.237   27 
-    130000       26000.00      32.918     -34.645      -1.726   5.83 0.500 0.533 0.206 1.109     298.651     300.000       7.629   27 
-    140000       28000.00      24.523     -41.014     -16.491   7.29 0.286 0.556 0.227 1.751     222.484     300.000       8.166   27 
-    150000       30000.00      31.092     -27.855       3.236   5.29 0.286 0.500 0.205 1.942     282.080     300.000       8.000   27 
-    160000       32000.00      33.495     -30.077       3.418   3.79 0.143 0.714 0.312 1.221     303.886     300.000       7.768   27 
-    170000       34000.00      29.894     -46.418     -16.524   5.12 0.143 0.778 0.288 1.141     271.211     300.000       7.455   27 
-    180000       36000.00      29.160     -35.927      -6.767   5.55 0.071 0.857 0.201 1.107     264.553     300.000       8.076   27 
-    190000       38000.00      25.952     -42.417     -16.465   4.12 0.143 0.833 0.280 0.835     235.450     300.000       7.222   27 
-    200000       40000.00      30.239     -32.826      -2.587   3.38 0.214 0.727 0.194 2.116     274.346     300.000       7.828   27 
-    210000       42000.00      33.237     -27.144       6.093   6.28 0.286 0.600 0.268 0.956     301.544     300.000       7.629   27 
-    220000       44000.00      26.568     -39.767     -13.199   5.32 0.214 0.769 0.262 0.693     241.042     300.000       7.034   27 
-    230000       46000.00      22.691     -38.581     -15.890   5.12 0.214 0.667 0.348 1.101     205.864     300.000       7.260   27 
-    240000       48000.00      34.540     -37.552      -3.013   4.27 0.286 0.714 0.344 2.333     313.362     300.000       7.427   27 
-    250000       50000.00      33.051     -34.616      -1.565   4.57 0.071 0.857 0.305 1.150     299.860     300.000       7.362   27 
-    260000       52000.00      25.636     -43.280     -17.644   4.57 0.286 0.556 0.298 1.127     232.586     300.000       7.212   27 
-    270000       54000.00      31.242     -20.220      11.022   6.28 0.286 0.556 0.273 1.231     283.445     300.000       7.431   27 
-    280000       56000.00      27.531     -30.317      -2.786   6.60 0.286 0.500 0.193 3.825     249.776     300.000       7.648   27 
-    290000       58000.00      27.731     -32.612      -4.880   6.62 0.071 0.909 0.207 1.655     251.594     300.000       7.800   27 
-    300000       60000.00      28.346     -34.557      -6.211   4.39 0.214 0.750 0.246 0.957     257.167     300.000       7.158   27 
-    310000       62000.00      30.125     -38.481      -8.356   5.98 0.286 0.667 0.205 1.727     273.306     310.000       7.467   27 
-    320000       64000.00      33.189     -33.308      -0.119   4.60 0.357 0.615 0.364 2.047     301.110     310.000       6.779   27 
-    330000       66000.00      32.683     -37.976      -5.292   5.62 0.143 0.800 0.464 1.438     296.521     310.000       6.742   27 
-    340000       68000.00      26.157     -37.926     -11.768   4.53 0.357 0.444 0.318 0.877     237.313     310.000       7.421   27 
-    350000       70000.00      29.191     -38.976      -9.785   2.72 0.286 0.692 0.322 1.262     264.836     310.000       6.327   27 
-    360000       72000.00      30.243     -30.396      -0.153   3.36 0.286 0.692 0.262 1.398     274.380     310.000       6.770   27 
-    370000       74000.00      34.831     -34.109       0.722   3.65 0.286 0.636 0.475 1.138     316.006     310.000       6.737   27 
-    380000       76000.00      27.052     -46.480     -19.428   4.16 0.500 0.611 0.452 1.002     245.431     310.000       6.359   27 
-    390000       78000.00      33.069     -35.879      -2.811   3.12 0.357 0.615 0.329 2.218     300.015     310.000       6.888   27 
-    400000       80000.00      25.868     -28.109      -2.241   2.72 0.357 0.444 0.313 2.671     234.688     310.000       7.400   27 
-    410000       82000.00      25.219     -33.137      -7.918   4.26 0.286 0.600 0.268 2.522     228.804     310.000       7.507   27 
-    420000       84000.00      40.951     -35.503       5.448   4.78 0.143 0.833 0.239 4.062     371.530     310.000       7.546   27 
-    430000       86000.00      31.071     -32.492      -1.420   4.71 0.143 0.667 0.326 2.746     281.892     310.000       7.023   27 
-    440000       88000.00      23.567     -44.121     -20.554   4.82 0.214 0.700 0.345 3.483     213.813     310.000       7.051   27 
-    450000       90000.00      31.755     -38.933      -7.178   6.01 0.214 0.667 0.247 1.311     288.097     310.000       6.979   27 
-    460000       92000.00      25.034     -28.151      -3.117   4.96 0.357 0.545 0.211 2.338     227.121     310.000       6.979   27 
-    470000       94000.00      26.462     -21.703       4.759   4.92 0.286 0.333 0.182 1.148     240.080     310.000       9.178   27 
-    480000       96000.00      36.526     -24.792      11.734   7.55 0.071 0.750 0.148 1.409     331.382     310.000       9.074   27 
-    490000       98000.00      29.620     -44.743     -15.123   6.12 0.357 0.643 0.373 0.903     268.731     310.000       6.573   27 
-    500000      100000.00      23.009     -38.687     -15.678   4.52 0.214 0.571 0.182 0.649     208.747     310.000       8.052   27 
-    510000      102000.00      35.180     -33.347       1.834   7.15 0.143 0.714 0.253 2.286     319.174     310.000       7.389   27 
-    520000      104000.00      29.725     -26.774       2.951   6.21 0.214 0.571 0.208 2.674     269.681     310.000       8.198   27 
-    530000      106000.00      25.603     -21.799       3.804   4.88 0.143 0.800 0.295 2.340     232.285     310.000       7.143   27 
-    540000      108000.00      26.640     -34.084      -7.444   2.16 0.571 0.500 0.352 2.283     241.692     310.000       6.745   27 
-    550000      110000.00      30.981     -36.657      -5.677   5.56 0.214 0.786 0.273 1.476     281.072     310.000       7.087   27 
-    560000      112000.00      20.843     -37.625     -16.782   4.35 0.286 0.636 0.335 0.936     189.097     310.000       7.076   27 
-    570000      114000.00      31.913     -38.841      -6.928   5.79 0.286 0.600 0.241 1.163     289.527     310.000       7.299   27 
-    580000      116000.00      24.789     -34.548      -9.760   5.54 0.357 0.615 0.357 1.627     224.897     310.000       6.772   27 
-    590000      118000.00      32.197     -38.871      -6.675   4.09 0.286 0.636 0.293 1.610     292.104     310.000       7.403   27 
-    600000      120000.00      26.461     -29.352      -2.891   5.71 0.214 0.625 0.210 2.220     240.068     310.000       7.248   27 
-    610000      122000.00      29.254     -37.949      -8.695   5.45 0.143 0.800 0.355 1.439     265.405     320.000       6.930   27 
-    620000      124000.00      36.845     -39.621      -2.776   4.73 0.143 0.846 0.357 1.220     334.276     320.000       6.675   27 
-    630000      126000.00      31.675     -29.123       2.552   3.02 0.143 0.667 0.280 1.433     287.376     320.000       7.239   27 
-    640000      128000.00      33.957     -27.830       6.127   4.97 0.143 0.778 0.379 0.817     308.078     320.000       7.813   27 
-    650000      130000.00      31.624     -26.222       5.402   5.42 0.143 0.667 0.394 1.682     286.908     320.000       7.203   27 
-    660000      132000.00      32.423     -28.123       4.300   6.55 0.071 0.857 0.260 1.531     294.160     320.000       7.234   27 
-    670000      134000.00      27.992     -26.454       1.538   7.23 0.143 0.778 0.237 1.156     253.955     320.000       7.288   27 
-    680000      136000.00      36.577     -11.842      24.735   5.20 0.143 0.600 0.273 1.933     331.847     320.000       8.163   27 
-    690000      138000.00      34.212     -14.008      20.204   5.35 0.143 0.500 0.170 1.765     310.388     320.000       9.836   27 
-    700000      140000.00      35.483     -26.816       8.667   3.66 0.143 0.778 0.232 1.869     321.924     320.000       7.081   27 
-    710000      142000.00      27.130     -25.528       1.602   4.37 0.214 0.750 0.242 1.707     246.138     310.000       7.097   27 
-    720000      144000.00      32.888     -31.462       1.426   4.54 0.214 0.750 0.375 1.310     298.378     310.000       7.392   27 
-    730000      146000.00      23.562     -39.940     -16.378   5.28 0.286 0.600 0.250 2.293     213.770     310.000       6.940   27 
-    740000      148000.00      31.340     -34.770      -3.430   5.02 0.143 0.800 0.314 2.133     284.334     310.000       6.964   27 
-    750000      150000.00      37.298     -28.671       8.627   5.02 0.143 0.500 0.182 1.872     338.390     310.000       8.179   27 
-    760000      152000.00      25.254     -38.353     -13.099   5.50 0.214 0.700 0.255 1.799     229.117     310.000       6.954   27 
-    770000      154000.00      35.954     -35.286       0.668   6.19 0.214 0.667 0.253 1.789     326.192     310.000       7.159   27 
-    780000      156000.00      29.971     -37.283      -7.312   6.11 0.286 0.600 0.195 0.983     271.915     310.000       6.868   27 
-    790000      158000.00      31.538     -29.889       1.649   5.68 0.214 0.625 0.188 1.940     286.131     310.000       7.607   27 
-    800000      160000.00      25.072     -31.226      -6.153   6.21 0.214 0.625 0.193 1.070     227.468     310.000       8.239   27 
-    810000      162000.00      22.261     -34.231     -11.970   5.93 0.071 0.889 0.273 0.950     201.963     300.000       7.287   27 
-    820000      164000.00      23.636     -43.809     -20.172   6.07 0.286 0.636 0.215 1.611     214.442     300.000       8.023   27 
-    830000      166000.00      33.539     -32.108       1.431   4.75 0.143 0.750 0.307 1.745     304.282     300.000       6.816   27 
-    840000      168000.00      24.807     -25.801      -0.994   6.32 0.214 0.625 0.210 2.027     225.061     300.000       7.107   27 
-    850000      170000.00      30.827     -39.286      -8.460   4.84 0.214 0.500 0.258 1.623     279.675     300.000       7.519   27 
-    860000      172000.00      37.949     -32.437       5.512   5.44 0.143 0.833 0.375 2.134     344.293     300.000       6.831   27 
-    870000      174000.00      25.908     -32.504      -6.597   5.08 0.143 0.800 0.209 1.056     235.050     300.000       7.994   27 
-    880000      176000.00      27.909     -26.825       1.084   4.70 0.286 0.636 0.314 1.635     253.203     300.000       7.170   27 
-    890000      178000.00      22.108     -43.092     -20.984   4.60 0.286 0.636 0.244 1.286     200.572     300.000       7.375   27 
-    900000      180000.00      30.457     -47.125     -16.668   4.96 0.143 0.833 0.292 1.800     276.321     300.000       6.964   27 
-    910000      182000.00      25.821     -43.367     -17.546   5.42 0.286 0.765 0.348 1.007     234.258     290.000       6.989   27 
-    920000      184000.00      27.408     -40.989     -13.580   5.24 0.214 0.667 0.298 1.090     248.663     290.000       7.023   27 
-    930000      186000.00      20.137     -41.184     -21.047   4.45 0.143 0.818 0.471 1.174     182.690     290.000       6.934   27 
-    940000      188000.00      29.363     -41.467     -12.104   5.04 0.143 0.778 0.343 2.667     266.395     290.000       7.624   27 
-    950000      190000.00      24.101     -25.807      -1.706   5.68 0.143 0.000 0.136 2.002     218.655     290.000       9.678   27 
-    960000      192000.00      21.667     -47.989     -26.322   5.71 0.143 0.833 0.436 2.343     196.574     290.000       6.675   27 
-    970000      194000.00      29.102     -48.033     -18.931   4.68 0.214 0.750 0.390 1.854     264.029     290.000       7.014   27 
-    980000      196000.00      24.902     -37.765     -12.863   4.93 0.357 0.722 0.316 1.350     225.925     290.000       7.041   27 
-    990000      198000.00      29.721     -39.335      -9.614   4.12 0.071 0.917 0.481 1.730     269.641     290.000       7.103   27 
-   1000000      200000.00      26.981     -45.882     -18.901   4.28 0.214 0.812 0.315 1.082     244.785     290.000       6.540   27 
+         0           0.00      41.284      24.549      65.832  12.87 0.000   NaN   NaN 0.712     374.547     380.000      15.552   27 
+     10000        2000.00      39.893      -5.160      34.733   6.87 0.000 1.000 0.400 1.688     361.930     380.000       7.883   27 
+     20000        4000.00      38.118       4.637      42.755   6.93 0.000 1.000 0.182 1.082     345.824     380.000      10.213   27 
+     30000        6000.00      41.667      -6.174      35.493   5.56 0.000   NaN   NaN 2.121     378.022     380.000      10.905   27 
+     40000        8000.00      35.739      -1.670      34.068   6.87 0.000 1.000 0.273 2.316     324.239     380.000      10.802   27 
+     50000       10000.00      29.562       5.850      35.412  10.29 0.071 0.500 0.136 1.931     268.200     380.000      13.232   27 
+     60000       12000.00      43.744      -6.613      37.131   5.75 0.000 1.000 0.386 2.913     396.867     380.000       9.020   27 
+     70000       14000.00      35.671       3.997      39.668   9.33 0.000 1.000 0.386 1.854     323.630     380.000      12.024   27 
+     80000       16000.00      32.840      -9.203      23.637   5.49 0.000 1.000 0.182 1.707     297.939     380.000      10.220   27 
+     90000       18000.00      30.941       4.227      35.167   8.27 0.000 1.000 0.136 1.506     280.709     380.000      11.175   27 
+    100000       20000.00      38.911      -5.011      33.900   8.59 0.000 1.000 0.250 1.127     353.024     380.000      12.012   27 
+    110000       22000.00      32.486      -6.509      25.976   4.68 0.143 0.600 0.418 1.747     294.727     380.000       8.432   27 
+    120000       24000.00      46.224      -5.105      41.119   8.32 0.000 1.000 0.470 1.157     419.369     380.000       9.196   27 
+    130000       26000.00      42.935       3.537      46.472   6.74 0.071 0.500 0.182 1.601     389.528     380.000      10.850   27 
+    140000       28000.00      34.952       6.918      41.870   5.79 0.071 0.667 0.227 1.472     317.101     380.000       8.837   27 
+    150000       30000.00      40.929      -2.604      38.324  11.37 0.071 0.000 0.136 2.819     371.326     380.000      13.627   27 
+    160000       32000.00      33.435      -9.833      23.602   5.35 0.071 0.909 0.467 0.967     303.342     380.000       6.978   27 
+    170000       34000.00      31.910     -10.579      21.331   5.58 0.071 0.800 0.464 1.801     289.505     380.000       9.351   27 
+    180000       36000.00      44.368       8.062      52.430   9.19 0.000 1.000 0.136 2.708     402.530     380.000      12.485   27 
+    190000       38000.00      36.732      14.025      50.757   4.97 0.000 1.000 0.409 2.095     333.256     380.000      10.113   27 
+    200000       40000.00      26.860       0.148      27.008   6.15 0.071 0.500 0.386 2.401     243.686     380.000       8.553   27 
+    210000       42000.00      45.764       8.565      54.329   7.54 0.000 1.000 0.136 2.314     415.194     380.000      11.861   27 
+    220000       44000.00      35.138      -0.145      34.993   7.07 0.000   NaN   NaN 1.417     318.794     380.000      11.981   27 
+    230000       46000.00      41.458       1.001      42.459   8.40 0.071 0.000 0.136 1.946     376.131     380.000      12.292   27 
+    240000       48000.00      42.247      -4.518      37.729   5.23 0.071 0.500 0.409 1.719     383.284     380.000       8.238   27 
+    250000       50000.00      31.435       0.047      31.483   7.77 0.214 0.000 0.197 1.222     285.198     380.000      11.826   27 
+    260000       52000.00      30.660      -2.552      28.108   9.98 0.000 1.000 0.136 2.748     278.162     380.000      12.535   27 
+    270000       54000.00      43.656      -1.555      42.101   5.67 0.143 0.333 0.167 2.878     396.067     380.000       8.792   27 
+    280000       56000.00      42.700      -6.252      36.448   7.27 0.214 0.400 0.182 1.878     387.400     380.000      10.239   27 
+    290000       58000.00      28.724       0.186      28.909   8.35 0.071 0.500 0.159 1.539     260.596     380.000      11.743   27 
+    300000       60000.00      37.744       5.326      43.070   5.48 0.000 1.000 0.409 1.107     342.431     380.000       9.882   27 
+    310000       62000.00      30.286       5.532      35.818   9.55 0.071 0.750 0.205 0.777     274.772     370.000      11.707   27 
+    320000       64000.00      42.396     -11.602      30.794   5.63 0.071 0.500 0.205 1.900     384.641     370.000      10.146   27 
+    330000       66000.00      37.886      -1.040      36.846   8.59 0.143 0.333 0.182 1.900     343.720     370.000      12.262   27 
+    340000       68000.00      41.740      -2.413      39.327   5.44 0.000 1.000 0.250 2.405     378.683     370.000       8.595   27 
+    350000       70000.00      39.272       4.655      43.927   7.33 0.000   NaN   NaN 3.856     356.292     370.000      11.340   27 
+    360000       72000.00      40.655     -12.456      28.199   5.11 0.071 0.800 0.364 2.858     368.847     370.000       7.608   27 
+    370000       74000.00      32.441     -14.349      18.092   5.86 0.143 0.333 0.288 0.345     294.317     370.000       8.745   27 
+    380000       76000.00      43.534      -3.701      39.832   6.96 0.000   NaN   NaN 1.595     394.959     370.000       9.113   27 
+    390000       78000.00      39.199      -2.025      37.174   6.13 0.071 0.857 0.227 2.252     355.637     370.000       8.801   27 
+    400000       80000.00      36.972       3.628      40.600   6.20 0.143 0.600 0.373 2.232     335.433     370.000       8.774   27 
+    410000       82000.00      39.055     -10.862      28.193   7.38 0.000 1.000 0.409 2.598     354.329     370.000       9.627   27 
+    420000       84000.00      34.476     -15.745      18.731   6.03 0.000 1.000 0.136 2.931     312.781     370.000      10.231   27 
+    430000       86000.00      45.901      -8.236      37.665   5.35 0.071 0.750 0.193 2.842     416.433     370.000       9.414   27 
+    440000       88000.00      39.442      -9.571      29.870   4.58 0.000   NaN   NaN 1.834     357.837     370.000       9.225   27 
+    450000       90000.00      35.757      -9.310      26.447   3.41 0.143 0.600 0.336 1.778     324.406     370.000       7.662   27 
+    460000       92000.00      34.439      10.831      45.270   4.50 0.071 0.500 0.477 1.891     312.451     370.000       8.898   27 
+    470000       94000.00      39.740       2.416      42.156   4.92 0.214 0.400 0.155 1.623     360.537     370.000       9.401   27 
+    480000       96000.00      36.803       6.853      43.656   7.61 0.000 1.000 0.273 1.741     333.894     370.000      10.697   27 
+    490000       98000.00      37.535      -7.415      30.120   4.61 0.071 0.900 0.323 2.631     340.535     370.000       8.267   27 
+    500000      100000.00      36.154      -6.235      29.919   8.32 0.071 0.000 0.182 2.470     328.011     370.000      10.837   27 
+    510000      102000.00      43.496      -2.001      41.495   5.95 0.071 0.500 0.159 1.327     394.617     360.000      10.371   27 
+    520000      104000.00      47.198      -2.089      45.110   9.49 0.000   NaN   NaN 1.995     428.208     360.000      12.714   27 
+    530000      106000.00      30.661      -8.198      22.463   4.85 0.071 0.750 0.159 2.230     278.176     360.000       9.639   27 
+    540000      108000.00      30.173      13.082      43.255   7.21 0.000 1.000 0.136 2.026     273.741     360.000      11.049   27 
+    550000      110000.00      40.163      -6.774      33.389   5.10 0.071 0.875 0.420 2.216     364.378     360.000       6.874   27 
+    560000      112000.00      35.510     -10.840      24.670   5.65 0.000 1.000 0.500 1.747     322.161     360.000       8.298   27 
+    570000      114000.00      27.564     -12.112      15.452   3.63 0.143 0.714 0.481 4.707     250.071     360.000       7.899   27 
+    580000      116000.00      28.140      -1.528      26.612   7.62 0.000 1.000 0.300 1.586     255.300     360.000       7.970   27 
+    590000      118000.00      38.129      10.517      48.646   8.57 0.000 1.000 0.273 2.813     345.922     360.000      12.839   27 
+    600000      120000.00      33.438       6.034      39.472   8.83 0.071 0.500 0.227 2.299     303.368     360.000      12.374   27 
+    610000      122000.00      39.341     -12.484      26.858   6.05 0.071 0.833 0.235 1.962     356.925     400.000       7.397   27 
+    620000      124000.00      33.275       0.012      33.287   9.80 0.071 0.000 0.136 1.867     301.884     400.000      13.439   27 
+    630000      126000.00      39.991       4.909      44.900   5.15 0.000   NaN   NaN 2.230     362.821     400.000      10.092   27 
+    640000      128000.00      38.003       5.760      43.763   9.81 0.000   NaN   NaN 1.823     344.787     400.000      12.247   27 
+    650000      130000.00      34.892       3.121      38.013   9.57 0.071 0.000 0.182 2.149     316.561     400.000      13.732   27 
+    660000      132000.00      42.433      13.702      56.135   7.48 0.071 0.000 0.227 1.937     384.975     400.000      10.791   27 
+    670000      134000.00      39.588       6.439      46.027   5.51 0.000   NaN   NaN 3.027     359.164     400.000       9.351   27 
+    680000      136000.00      50.607      11.722      62.329   6.24 0.071 0.000 0.136 3.334     459.132     400.000       9.299   27 
+    690000      138000.00      49.001       6.748      55.748   6.43 0.143 0.333 0.152 3.238     444.560     400.000      10.149   27 
+    700000      140000.00      36.788       8.611      45.398   5.07 0.000 1.000 0.418 2.326     333.758     400.000       7.579   27 
+    710000      142000.00      36.123       4.550      40.673   9.65 0.143 0.500 0.136 2.319     327.723     390.000      13.009   27 
+    720000      144000.00      45.423       2.140      47.562   5.58 0.143 0.500 0.364 1.966     412.099     390.000       8.377   27 
+    730000      146000.00      41.842      12.259      54.101   7.51 0.000 1.000 0.386 1.029     379.610     390.000       9.381   27 
+    740000      148000.00      46.382       4.615      50.998  10.82 0.000   NaN   NaN 4.721     420.803     390.000      14.715   27 
+    750000      150000.00      51.635       5.868      57.503   8.45 0.071 0.000 0.136 2.034     468.462     390.000      12.663   27 
+    760000      152000.00      44.920       1.408      46.328   6.73 0.071 0.500 0.159 2.562     407.540     390.000      11.290   27 
+    770000      154000.00      45.739       2.804      48.543   6.20 0.071 0.667 0.242 0.262     414.968     390.000      10.383   27 
+    780000      156000.00      36.472       0.527      36.999   5.69 0.071 0.857 0.416 1.661     330.895     390.000       7.882   27 
+    790000      158000.00      40.859       5.179      46.038   7.10 0.000 1.000 0.136 0.738     370.697     390.000      10.090   27 
+    800000      160000.00      37.016       0.672      37.687  10.69 0.071 0.667 0.152 1.245     335.824     390.000      13.865   27 
+    810000      162000.00      38.003       0.794      38.797   7.05 0.071 0.667 0.167 1.536     344.780     390.000      10.287   27 
+    820000      164000.00      31.702       3.162      34.863   7.81 0.071 0.667 0.364 3.808     287.612     390.000       9.806   27 
+    830000      166000.00      42.600      -7.197      35.403   7.57 0.000 1.000 0.364 3.069     386.492     390.000       8.892   27 
+    840000      168000.00      43.918       0.536      44.454   6.91 0.000 1.000 0.205 1.242     398.446     390.000      11.002   27 
+    850000      170000.00      40.837       8.104      48.941   7.62 0.071 0.000 0.227 2.500     370.494     390.000      11.211   27 
+    860000      172000.00      28.920       0.967      29.887   6.44 0.071 0.000 0.136 2.690     262.377     390.000       9.678   27 
+    870000      174000.00      40.487      11.066      51.552   7.18 0.000   NaN   NaN 2.086     367.317     390.000      11.457   27 
+    880000      176000.00      31.115       8.515      39.630   9.02 0.000 1.000 0.205 1.731     282.290     390.000      12.785   27 
+    890000      178000.00      37.380      -1.180      36.200   7.75 0.000 1.000 0.136 3.283     339.131     390.000      11.775   27 
+    900000      180000.00      35.460     -12.119      23.341   4.34 0.071 0.500 0.182 1.088     321.715     390.000       8.146   27 
+    910000      182000.00      33.849      11.958      45.806   6.25 0.000 1.000 0.420 1.739     307.093     380.000      10.315   27 
+    920000      184000.00      42.270       5.136      47.406   9.49 0.071 0.667 0.152 1.022     383.491     380.000      13.817   27 
+    930000      186000.00      37.737       6.897      44.635   5.67 0.071 0.750 0.330 1.575     342.373     380.000       9.329   27 
+    940000      188000.00      37.534      -6.137      31.397   9.10 0.071 0.000 0.182 1.119     340.532     380.000      12.979   27 
+    950000      190000.00      36.740       0.660      37.400   9.08 0.000   NaN   NaN 1.845     333.328     380.000      11.813   27 
+    960000      192000.00      28.768      -8.617      20.151   5.49 0.000 1.000 0.500 1.668     260.998     380.000       8.827   27 
+    970000      194000.00      31.999       4.314      36.313   5.81 0.000   NaN   NaN 2.038     290.312     380.000       9.476   27 
+    980000      196000.00      30.960       5.818      36.778   7.77 0.143 0.000 0.136 1.606     280.889     380.000      11.419   27 
+    990000      198000.00      27.505      -0.688      26.817   5.28 0.071 0.667 0.364 1.976     249.544     380.000       9.858   27 
+   1000000      200000.00      47.817       6.425      54.242   5.93 0.000   NaN   NaN 3.292     433.821     380.000       9.486   27 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB028.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB028.stat
index 6840c1f..7ac6424 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB028.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB028.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.007      21.102      48.109  12.87 0.000   NaN   NaN 0.934     245.018     320.000      15.552   28 
-     10000        2000.00      35.474     -13.358      22.116   6.83 0.000 1.000 0.300 1.552     321.836     320.000       8.856   28 
-     20000        4000.00      27.460     -38.722     -11.262   3.00 0.357 0.545 0.252 2.039     249.135     320.000       7.022   28 
-     30000        6000.00      35.790     -25.381      10.409   5.32 0.143 0.818 0.355 4.002     324.702     320.000       7.544   28 
-     40000        8000.00      35.941     -26.426       9.515   5.73 0.071 0.750 0.500 0.879     326.071     320.000       7.852   28 
-     50000       10000.00      37.550     -40.332      -2.782   5.42 0.143 0.875 0.332 1.243     340.671     320.000       6.947   28 
-     60000       12000.00      25.606     -18.282       7.323   4.77 0.143 0.667 0.174 1.744     232.309     320.000       8.994   28 
-     70000       14000.00      23.626     -15.538       8.088   4.19 0.214 0.400 0.300 2.966     214.343     320.000       7.909   28 
-     80000       16000.00      32.373     -37.459      -5.086   7.31 0.214 0.667 0.202 2.032     293.702     320.000       7.461   28 
-     90000       18000.00      34.614     -29.066       5.547   7.01 0.214 0.625 0.227 2.295     314.032     320.000       7.309   28 
-    100000       20000.00      34.035     -33.705       0.330   4.26 0.214 0.727 0.405 1.042     308.780     320.000       7.817   28 
-    110000       22000.00      37.678     -30.740       6.938   4.20 0.071 0.917 0.462 0.924     341.838     340.000       8.212   28 
-    120000       24000.00      37.420     -14.083      23.337   4.92 0.143 0.667 0.273 2.159     339.497     340.000       8.232   28 
-    130000       26000.00      38.701     -11.545      27.157   6.49 0.000 1.000 0.386 1.664     351.118     340.000       8.095   28 
-    140000       28000.00      34.626     -12.429      22.197   5.16 0.143 0.667 0.295 2.067     314.145     340.000       8.828   28 
-    150000       30000.00      42.114     -15.523      26.591   7.48 0.000 1.000 0.299 1.504     382.076     340.000       8.071   28 
-    160000       32000.00      37.724     -16.600      21.124   5.35 0.071 0.800 0.427 2.256     342.249     340.000       8.050   28 
-    170000       34000.00      33.659     -17.028      16.631   5.03 0.000 1.000 0.455 1.245     305.374     340.000       7.453   28 
-    180000       36000.00      37.424     -22.350      15.073   7.45 0.143 0.667 0.212 1.396     339.526     340.000       7.758   28 
-    190000       38000.00      30.758     -29.905       0.854   4.45 0.071 0.889 0.404 1.677     279.054     340.000       7.037   28 
-    200000       40000.00      31.617     -29.393       2.224   6.97 0.143 0.600 0.291 1.993     286.849     340.000       7.368   28 
-    210000       42000.00      31.525     -25.548       5.977   4.16 0.429 0.538 0.360 3.235     286.010     320.000       6.897   28 
-    220000       44000.00      28.447     -11.079      17.367  10.01 0.143 0.000 0.159 1.787     258.082     320.000      13.389   28 
-    230000       46000.00      31.944     -27.859       4.085   4.99 0.071 0.889 0.434 1.083     289.814     320.000       7.459   28 
-    240000       48000.00      33.678     -22.202      11.476   5.66 0.286 0.714 0.351 1.436     305.540     320.000       7.478   28 
-    250000       50000.00      30.399     -24.666       5.734   5.15 0.071 0.875 0.460 1.156     275.800     320.000       8.385   28 
-    260000       52000.00      28.538     -23.182       5.356   8.51 0.214 0.000 0.152 1.428     258.912     320.000      11.482   28 
-    270000       54000.00      27.450     -22.074       5.376   6.38 0.071 0.833 0.379 1.459     249.036     320.000       7.609   28 
-    280000       56000.00      28.476     -12.641      15.835   4.00 0.143 0.750 0.358 1.372     258.349     320.000       7.140   28 
-    290000       58000.00      29.518     -19.055      10.463   3.46 0.214 0.571 0.357 2.520     267.801     320.000       7.027   28 
-    300000       60000.00      26.358     -38.873     -12.515   6.96 0.214 0.800 0.245 1.466     239.130     320.000       7.523   28 
-    310000       62000.00      33.321     -41.289      -7.968   6.90 0.357 0.615 0.217 1.811     302.306     320.000       7.423   28 
-    320000       64000.00      28.313     -42.824     -14.512   3.37 0.357 0.643 0.328 1.704     256.867     320.000       7.153   28 
-    330000       66000.00      30.826     -29.445       1.381   2.96 0.500 0.364 0.285 2.401     279.669     320.000       6.688   28 
-    340000       68000.00      30.219     -33.833      -3.615   6.98 0.143 0.846 0.287 1.616     274.159     320.000       6.801   28 
-    350000       70000.00      37.637     -39.439      -1.801   4.34 0.286 0.692 0.283 1.898     341.465     320.000       7.173   28 
-    360000       72000.00      34.993     -35.811      -0.819   5.76 0.357 0.500 0.236 2.393     317.471     320.000       7.471   28 
-    370000       74000.00      28.719     -26.508       2.210   3.43 0.214 0.400 0.300 1.910     260.553     320.000       7.988   28 
-    380000       76000.00      24.949     -32.948      -7.999   5.00 0.143 0.750 0.307 1.544     226.349     320.000       7.014   28 
-    390000       78000.00      34.335     -11.418      22.917   4.97 0.143 0.600 0.555 2.766     311.505     320.000       7.793   28 
-    400000       80000.00      27.667     -33.968      -6.301   5.56 0.214 0.571 0.260 2.284     251.011     320.000       7.117   28 
-    410000       82000.00      41.822     -27.892      13.930   5.90 0.000 1.000 0.236 2.314     379.429     310.000       7.305   28 
-    420000       84000.00      28.307     -27.422       0.886   7.82 0.143 0.500 0.205 2.477     256.820     310.000      10.540   28 
-    430000       86000.00      34.994     -33.082       1.911   4.67 0.214 0.700 0.377 1.753     317.481     310.000       7.329   28 
-    440000       88000.00      27.335     -34.308      -6.973   5.21 0.143 0.846 0.413 0.933     247.995     310.000       7.205   28 
-    450000       90000.00      30.156     -32.324      -2.168   5.14 0.357 0.500 0.368 1.857     273.592     310.000       7.438   28 
-    460000       92000.00      22.580     -35.997     -13.418   6.71 0.143 0.714 0.208 1.000     204.855     310.000       8.659   28 
-    470000       94000.00      30.236     -42.871     -12.635   4.57 0.286 0.714 0.286 1.273     274.315     310.000       6.682   28 
-    480000       96000.00      35.345     -37.183      -1.838   6.88 0.286 0.600 0.177 1.215     320.666     310.000       7.398   28 
-    490000       98000.00      23.889     -37.053     -13.164   5.14 0.214 0.700 0.186 1.020     216.734     310.000       7.572   28 
-    500000      100000.00      31.274     -32.591      -1.317   4.55 0.214 0.625 0.244 1.001     283.733     310.000       7.680   28 
-    510000      102000.00      34.059     -32.173       1.886   4.73 0.143 0.750 0.273 1.854     309.005     310.000       7.771   28 
-    520000      104000.00      24.760     -48.720     -23.960   5.73 0.214 0.750 0.288 1.106     224.636     310.000       6.741   28 
-    530000      106000.00      24.791     -34.374      -9.583   5.58 0.286 0.714 0.386 1.718     224.915     310.000       6.680   28 
-    540000      108000.00      26.068     -36.614     -10.546   4.11 0.071 0.889 0.338 0.935     236.504     310.000       7.390   28 
-    550000      110000.00      36.506     -28.496       8.010   5.66 0.071 0.900 0.359 2.116     331.200     310.000       6.913   28 
-    560000      112000.00      27.261     -30.976      -3.715   4.66 0.071 0.875 0.307 1.971     247.330     310.000       7.303   28 
-    570000      114000.00      31.511     -29.546       1.965   4.91 0.143 0.714 0.312 2.225     285.884     310.000       7.882   28 
-    580000      116000.00      33.870     -35.531      -1.660   5.25 0.143 0.833 0.314 0.786     307.289     310.000       6.638   28 
-    590000      118000.00      25.912     -38.521     -12.609   5.38 0.214 0.667 0.399 1.538     235.086     310.000       7.216   28 
-    600000      120000.00      32.676     -44.781     -12.105   5.84 0.286 0.692 0.427 1.657     296.454     310.000       6.854   28 
-    610000      122000.00      30.320     -32.207      -1.887   5.53 0.214 0.500 0.311 1.753     275.082     310.000       6.952   28 
-    620000      124000.00      36.964     -31.355       5.609   4.29 0.214 0.700 0.323 2.003     335.355     310.000       7.336   28 
-    630000      126000.00      32.374     -34.347      -1.973   4.29 0.286 0.556 0.227 1.388     293.715     310.000       7.745   28 
-    640000      128000.00      32.663     -43.245     -10.582   5.28 0.429 0.571 0.192 1.553     296.338     310.000       7.748   28 
-    650000      130000.00      31.930     -35.204      -3.274   4.97 0.143 0.846 0.367 1.722     289.685     310.000       6.591   28 
-    660000      132000.00      27.092     -33.096      -6.003   2.50 0.357 0.545 0.351 1.768     245.796     310.000       7.258   28 
-    670000      134000.00      24.193     -35.334     -11.141   4.53 0.214 0.667 0.298 1.826     219.493     310.000       8.146   28 
-    680000      136000.00      29.230     -30.027      -0.797   4.65 0.286 0.765 0.412 1.218     265.189     310.000       6.877   28 
-    690000      138000.00      27.204     -20.100       7.104   4.97 0.071 0.833 0.379 2.099     246.809     310.000       6.954   28 
-    700000      140000.00      39.241     -45.452      -6.211   6.10 0.214 0.667 0.318 0.993     356.018     310.000       6.778   28 
-    710000      142000.00      25.668     -41.905     -16.236   4.84 0.429 0.455 0.219 1.323     232.877     300.000       7.389   28 
-    720000      144000.00      28.620     -46.270     -17.650   5.58 0.286 0.556 0.202 1.228     259.656     300.000       7.228   28 
-    730000      146000.00      25.060     -29.822      -4.762   4.77 0.357 0.375 0.188 2.632     227.356     300.000       7.408   28 
-    740000      148000.00      33.963     -46.084     -12.120   5.44 0.214 0.667 0.268 2.604     308.132     300.000       6.949   28 
-    750000      150000.00      31.531     -35.288      -3.756   4.46 0.071 0.857 0.201 1.363     286.069     300.000       7.469   28 
-    760000      152000.00      34.072     -44.284     -10.211   6.87 0.357 0.643 0.205 2.347     309.121     300.000       7.480   28 
-    770000      154000.00      30.283     -46.016     -15.733   6.62 0.214 0.727 0.227 1.107     274.747     300.000       7.443   28 
-    780000      156000.00      29.836     -37.948      -8.112   2.98 0.214 0.700 0.350 0.762     270.687     300.000       6.818   28 
-    790000      158000.00      29.805     -38.164      -8.359   3.84 0.286 0.600 0.300 1.500     270.403     300.000       7.703   28 
-    800000      160000.00      27.315     -27.840      -0.525   4.00 0.286 0.636 0.248 4.137     247.815     300.000       7.678   28 
-    810000      162000.00      22.034     -50.578     -28.544   6.77 0.286 0.750 0.278 1.759     199.903     290.000       6.527   28 
-    820000      164000.00      25.393     -44.833     -19.440   4.60 0.286 0.600 0.295 1.325     230.381     290.000       7.205   28 
-    830000      166000.00      23.633     -45.708     -22.075   4.93 0.143 0.714 0.312 1.003     214.413     290.000       6.929   28 
-    840000      168000.00      30.325     -40.121      -9.796   4.67 0.357 0.500 0.191 3.712     275.121     290.000       7.405   28 
-    850000      170000.00      20.947     -55.404     -34.457   5.60 0.143 0.818 0.215 1.768     190.046     290.000       7.566   28 
-    860000      172000.00      25.031     -36.806     -11.775   4.07 0.286 0.600 0.336 0.962     227.094     290.000       6.839   28 
-    870000      174000.00      33.142     -35.368      -2.226   4.99 0.214 0.667 0.283 2.363     300.685     290.000       7.162   28 
-    880000      176000.00      36.724     -34.641       2.083   5.74 0.071 0.875 0.347 1.464     333.183     290.000       6.975   28 
-    890000      178000.00      25.186     -44.089     -18.903   4.79 0.357 0.643 0.406 0.812     228.500     290.000       7.104   28 
-    900000      180000.00      25.368     -42.395     -17.027   4.27 0.286 0.636 0.281 1.812     230.148     290.000       7.362   28 
-    910000      182000.00      22.967     -37.248     -14.281   5.79 0.143 0.833 0.364 1.936     208.366     300.000       7.278   28 
-    920000      184000.00      26.746     -40.819     -14.073   5.49 0.071 0.875 0.330 2.379     242.657     300.000       6.803   28 
-    930000      186000.00      27.579     -45.239     -17.659   5.09 0.286 0.600 0.273 2.441     250.215     300.000       6.767   28 
-    940000      188000.00      26.076     -20.304       5.771   5.73 0.071 0.889 0.303 1.564     236.572     300.000       7.241   28 
-    950000      190000.00      32.133     -27.941       4.192   6.09 0.143 0.667 0.167 0.846     291.529     300.000       7.663   28 
-    960000      192000.00      28.932     -36.970      -8.038   4.04 0.357 0.444 0.177 1.041     262.483     300.000       8.238   28 
-    970000      194000.00      29.067     -36.009      -6.943   4.27 0.143 0.667 0.258 1.526     263.707     300.000       7.388   28 
-    980000      196000.00      25.141     -40.085     -14.944   5.62 0.214 0.700 0.218 1.106     228.091     300.000       9.193   28 
-    990000      198000.00      29.977     -40.894     -10.916   3.02 0.429 0.500 0.280 1.343     271.968     300.000       6.909   28 
-   1000000      200000.00      24.655     -40.665     -16.010   4.02 0.286 0.750 0.412 1.504     223.685     300.000       6.372   28 
+         0           0.00      42.077      24.551      66.628  12.87 0.000   NaN   NaN 0.714     381.743     390.000      15.552   28 
+     10000        2000.00      39.821       6.535      46.356   7.25 0.000 1.000 0.545 1.703     361.280     390.000      10.445   28 
+     20000        4000.00      37.593      -5.426      32.168   6.55 0.000 1.000 0.273 1.671     341.065     390.000       9.617   28 
+     30000        6000.00      46.291      -5.198      41.094   4.69 0.000 1.000 0.379 2.657     419.979     390.000       8.987   28 
+     40000        8000.00      33.162       1.252      34.414   9.23 0.000 1.000 0.136 1.574     300.865     390.000      13.505   28 
+     50000       10000.00      38.136       6.250      44.386   6.43 0.000   NaN   NaN 1.550     345.992     390.000      10.590   28 
+     60000       12000.00      43.400      10.538      53.939   6.29 0.071 0.800 0.409 3.054     393.751     390.000       9.411   28 
+     70000       14000.00      40.731       7.566      48.296   7.33 0.000   NaN   NaN 2.517     369.529     390.000      11.029   28 
+     80000       16000.00      39.476      -7.568      31.908   5.48 0.000 1.000 0.682 2.069     358.146     390.000       8.399   28 
+     90000       18000.00      41.845      -1.820      40.026   5.19 0.071 0.875 0.574 3.491     379.644     390.000       8.205   28 
+    100000       20000.00      39.341      -4.158      35.183   7.16 0.000   NaN   NaN 1.402     356.925     390.000      12.059   28 
+    110000       22000.00      33.622      -3.621      30.001   7.91 0.071 0.000 0.182 1.043     305.035     370.000      11.222   28 
+    120000       24000.00      36.774       7.137      43.912  10.41 0.143 0.000 0.136 3.241     333.635     370.000      14.070   28 
+    130000       26000.00      29.529      -2.893      26.636   3.67 0.214 0.400 0.218 1.708     267.904     370.000       7.993   28 
+    140000       28000.00      32.207      -9.469      22.737  10.10 0.214 0.400 0.155 1.990     292.194     370.000      12.892   28 
+    150000       30000.00      39.764      -7.611      32.153   7.09 0.071 0.000 0.136 1.009     360.760     370.000      10.424   28 
+    160000       32000.00      36.591      -1.271      35.320   8.31 0.071 0.000 0.136 1.464     331.969     370.000      11.991   28 
+    170000       34000.00      39.936      -6.612      33.324   6.86 0.071 0.000 0.136 2.255     362.319     370.000      10.681   28 
+    180000       36000.00      43.043       8.189      51.233   7.62 0.000 1.000 0.227 2.486     390.511     370.000      11.274   28 
+    190000       38000.00      52.734      -4.348      48.386   9.45 0.214 0.000 0.167 1.616     478.430     370.000      12.806   28 
+    200000       40000.00      40.811      -5.052      35.759   8.46 0.143 0.000 0.159 1.346     370.259     370.000      11.129   28 
+    210000       42000.00      41.973       1.031      43.004   8.35 0.071 0.500 0.205 2.805     380.802     350.000      10.627   28 
+    220000       44000.00      35.206      -8.725      26.481   4.11 0.000 1.000 0.470 3.813     319.406     350.000       7.510   28 
+    230000       46000.00      40.077      -0.920      39.157   5.89 0.071 0.750 0.364 2.191     363.603     350.000       8.163   28 
+    240000       48000.00      30.508      -2.362      28.146   7.94 0.071 0.000 0.182 1.988     276.782     350.000      11.894   28 
+    250000       50000.00      30.112     -11.050      19.062   7.40 0.071 0.500 0.227 2.334     273.193     350.000      10.808   28 
+    260000       52000.00      35.854       9.223      45.077   7.74 0.000 1.000 0.227 3.136     325.288     350.000      11.134   28 
+    270000       54000.00      46.472       1.717      48.189   4.99 0.071 0.500 0.159 1.681     421.619     350.000       9.549   28 
+    280000       56000.00      41.109       6.733      47.842   5.25 0.071 0.667 0.303 1.284     372.966     350.000       9.122   28 
+    290000       58000.00      29.176       0.458      29.635   7.69 0.000 1.000 0.205 2.394     264.702     350.000      10.304   28 
+    300000       60000.00      29.022       5.183      34.205   5.47 0.143 0.500 0.466 2.209     263.302     350.000       7.715   28 
+    310000       62000.00      42.899       0.068      42.967   5.37 0.143 0.333 0.409 2.263     389.203     390.000       8.976   28 
+    320000       64000.00      39.971     -11.598      28.373   5.82 0.071 0.750 0.205 1.898     362.637     390.000       7.237   28 
+    330000       66000.00      36.111       5.415      41.527   5.54 0.000 1.000 0.273 2.211     327.620     390.000       8.859   28 
+    340000       68000.00      31.509       5.774      37.283   4.38 0.071 0.667 0.288 0.950     285.870     390.000       8.228   28 
+    350000       70000.00      34.480      -0.376      34.104  11.29 0.000   NaN   NaN 2.156     312.821     390.000      14.850   28 
+    360000       72000.00      40.057      -3.355      36.702   6.06 0.071 0.833 0.265 2.158     363.418     390.000       7.776   28 
+    370000       74000.00      36.548     -15.235      21.313   5.83 0.000 1.000 0.227 2.795     331.582     390.000       8.907   28 
+    380000       76000.00      35.919      10.296      46.214   4.51 0.071 0.667 0.258 1.704     325.872     390.000       9.075   28 
+    390000       78000.00      46.481       8.965      55.446  10.09 0.000   NaN   NaN 2.172     421.704     390.000      13.884   28 
+    400000       80000.00      30.598      -6.076      24.522   4.74 0.000 1.000 0.727 1.312     277.601     390.000       8.690   28 
+    410000       82000.00      37.571       3.169      40.740   5.26 0.071 0.750 0.284 2.932     340.863     390.000       8.125   28 
+    420000       84000.00      31.057       8.969      40.026   5.66 0.000 1.000 0.209 0.902     281.763     390.000       9.376   28 
+    430000       86000.00      37.254      -4.988      32.266   5.47 0.000   NaN   NaN 1.505     337.989     390.000       9.490   28 
+    440000       88000.00      32.622       0.562      33.184   7.49 0.071 0.500 0.227 2.987     295.961     390.000      10.077   28 
+    450000       90000.00      38.826      -0.941      37.885   4.85 0.071 0.875 0.307 2.381     352.253     390.000       7.791   28 
+    460000       92000.00      42.493      14.000      56.493   8.24 0.000 1.000 0.136 3.288     385.515     390.000       9.350   28 
+    470000       94000.00      37.153       5.909      43.061   8.43 0.000 1.000 0.182 4.065     337.069     390.000      12.050   28 
+    480000       96000.00      37.022      -5.015      32.008   6.03 0.071 0.800 0.255 1.967     335.886     390.000       8.967   28 
+    490000       98000.00      41.704      -4.679      37.025   7.54 0.214 0.400 0.218 2.269     378.358     390.000       9.329   28 
+    500000      100000.00      34.057       6.963      41.020   6.08 0.000 1.000 0.227 1.068     308.979     390.000      11.266   28 
+    510000      102000.00      50.736      -6.134      44.602   8.46 0.143 0.333 0.197 1.092     460.302     390.000      11.177   28 
+    520000      104000.00      44.620      -2.653      41.967   6.20 0.000 1.000 0.523 2.522     404.817     390.000       9.207   28 
+    530000      106000.00      38.348      -9.575      28.773   6.33 0.000 1.000 0.432 1.798     347.912     390.000       7.711   28 
+    540000      108000.00      39.501       0.163      39.664   5.78 0.071 0.000 0.136 2.423     358.375     390.000       9.000   28 
+    550000      110000.00      39.719       2.992      42.712  10.57 0.000 1.000 0.136 1.749     360.353     390.000      13.578   28 
+    560000      112000.00      38.005      -7.818      30.187   4.99 0.214 0.571 0.409 1.858     344.803     390.000       8.175   28 
+    570000      114000.00      41.656       6.334      47.989   6.08 0.214 0.250 0.182 2.166     377.920     390.000       9.804   28 
+    580000      116000.00      40.767      -2.979      37.789   5.01 0.000 1.000 0.379 4.038     369.864     390.000       7.986   28 
+    590000      118000.00      39.921      -0.375      39.546   5.43 0.000 1.000 0.636 0.876     362.182     390.000       9.246   28 
+    600000      120000.00      35.603      -5.676      29.927   8.14 0.071 0.000 0.182 1.364     323.010     390.000      11.487   28 
+    610000      122000.00      31.693      -0.279      31.414   8.82 0.000 1.000 0.182 1.395     287.537     380.000      11.296   28 
+    620000      124000.00      33.640      -2.913      30.727   6.74 0.071 0.500 0.500 3.520     305.195     380.000       8.539   28 
+    630000      126000.00      38.770       1.562      40.332   8.70 0.000 1.000 0.303 2.561     351.741     380.000      10.104   28 
+    640000      128000.00      33.394       2.431      35.825   7.82 0.071 0.667 0.258 1.960     302.966     380.000      10.930   28 
+    650000      130000.00      39.836       3.474      43.310   9.28 0.000   NaN   NaN 2.733     361.414     380.000      14.210   28 
+    660000      132000.00      37.600       2.804      40.405   7.61 0.000   NaN   NaN 2.299     341.128     380.000      11.192   28 
+    670000      134000.00      30.712       1.084      31.796   7.32 0.000 1.000 0.182 1.789     278.636     380.000       9.883   28 
+    680000      136000.00      35.421       2.737      38.158   8.19 0.071 0.000 0.182 2.002     321.358     380.000      11.840   28 
+    690000      138000.00      33.645      13.427      47.072   7.69 0.071 0.000 0.136 2.330     305.248     380.000      12.148   28 
+    700000      140000.00      36.285       6.303      42.588   5.02 0.071 0.667 0.348 2.765     329.195     380.000       7.560   28 
+    710000      142000.00      37.037       5.617      42.654   6.61 0.000 1.000 0.568 2.023     336.023     370.000      11.178   28 
+    720000      144000.00      32.151       1.168      33.319   6.29 0.000 1.000 0.227 3.214     291.693     370.000       9.170   28 
+    730000      146000.00      31.663       1.351      33.014  11.44 0.000   NaN   NaN 3.171     287.265     370.000      15.592   28 
+    740000      148000.00      28.110      -9.059      19.051   7.93 0.000   NaN   NaN 2.107     255.027     370.000       9.717   28 
+    750000      150000.00      34.745       5.024      39.769   7.81 0.000   NaN   NaN 1.979     315.223     370.000      11.324   28 
+    760000      152000.00      40.492       8.620      49.112   8.59 0.000 1.000 0.348 3.380     367.363     370.000      10.628   28 
+    770000      154000.00      38.404      -4.560      33.844   6.86 0.000 1.000 0.500 1.167     348.424     370.000       8.326   28 
+    780000      156000.00      40.288      -9.051      31.237   5.86 0.000 1.000 0.227 1.816     365.511     370.000       9.567   28 
+    790000      158000.00      36.821      -2.934      33.888   3.96 0.214 0.500 0.258 1.952     334.063     370.000       7.676   28 
+    800000      160000.00      48.212     -11.245      36.967   9.88 0.071 0.000 0.136 2.183     437.406     370.000      14.231   28 
+    810000      162000.00      36.990       2.805      39.794   4.25 0.214 0.571 0.331 1.524     335.589     360.000       8.245   28 
+    820000      164000.00      36.177     -11.504      24.672   5.29 0.071 0.833 0.447 3.568     328.213     360.000       7.486   28 
+    830000      166000.00      35.007     -14.922      20.085   8.59 0.071 0.750 0.182 1.766     317.599     360.000      11.965   28 
+    840000      168000.00      31.216     -25.856       5.360   5.44 0.000 1.000 0.515 0.849     283.207     360.000       8.285   28 
+    850000      170000.00      41.709       0.665      42.374  11.79 0.000   NaN   NaN 4.935     378.403     360.000      15.028   28 
+    860000      172000.00      33.634     -15.866      17.768   6.17 0.286 0.556 0.323 3.170     305.143     360.000       7.449   28 
+    870000      174000.00      37.875      -9.518      28.357   5.25 0.071 0.500 0.273 1.116     343.620     360.000       8.316   28 
+    880000      176000.00      33.227     -15.927      17.300   4.47 0.143 0.667 0.348 1.902     301.453     360.000       8.344   28 
+    890000      178000.00      36.331     -10.908      25.423   5.76 0.000 1.000 0.379 1.423     329.618     360.000       8.321   28 
+    900000      180000.00      31.223      -1.314      29.909  10.48 0.000   NaN   NaN 2.676     283.272     360.000      13.654   28 
+    910000      182000.00      42.322      -2.526      39.797   7.97 0.000 1.000 0.197 1.111     383.971     350.000       9.078   28 
+    920000      184000.00      32.447      -3.474      28.973   6.04 0.143 0.333 0.258 1.482     294.377     350.000       9.058   28 
+    930000      186000.00      40.122      -5.986      34.137   8.15 0.143 0.000 0.159 1.235     364.009     350.000      11.314   28 
+    940000      188000.00      27.872     -16.785      11.087   6.54 0.071 0.750 0.205 2.419     252.869     350.000       8.514   28 
+    950000      190000.00      37.703      -4.990      32.713   7.54 0.214 0.000 0.167 1.609     342.065     350.000      10.893   28 
+    960000      192000.00      34.658      -3.080      31.578  11.29 0.000 1.000 0.136 1.772     314.436     350.000      14.620   28 
+    970000      194000.00      38.441      16.122      54.563   5.93 0.000 1.000 0.182 1.920     348.758     350.000       8.563   28 
+    980000      196000.00      33.146       5.163      38.309   9.49 0.071 0.500 0.136 1.810     300.715     350.000      13.604   28 
+    990000      198000.00      45.593       5.777      51.370   9.74 0.000 1.000 0.182 3.267     413.645     350.000      12.809   28 
+   1000000      200000.00      25.772      -6.220      19.552  11.01 0.071 0.500 0.159 1.593     233.819     350.000      14.289   28 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB029.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB029.stat
index a24e355..ed91d04 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB029.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB029.stat
@@ -1,101 +1,101 @@
-         0           0.00      34.233      21.102      55.335  12.87 0.000   NaN   NaN 0.934     310.582     320.000      15.552   29 
-     10000        2000.00      34.415     -32.670       1.745   5.64 0.000 1.000 0.409 2.328     312.231     320.000       8.186   29 
-     20000        4000.00      28.535     -21.282       7.253   4.53 0.214 0.625 0.290 1.784     258.881     320.000       7.587   29 
-     30000        6000.00      22.423     -27.013      -4.591   3.81 0.143 0.600 0.282 0.901     203.429     320.000       7.962   29 
-     40000        8000.00      37.930     -42.000      -4.071   5.87 0.286 0.692 0.297 1.154     344.117     320.000       6.663   29 
-     50000       10000.00      29.830     -23.736       6.095   4.90 0.143 0.750 0.222 2.140     270.635     320.000       8.026   29 
-     60000       12000.00      27.554     -19.210       8.344   6.28 0.071 0.833 0.364 1.852     249.983     320.000       7.120   29 
-     70000       14000.00      33.178     -33.027       0.151   6.49 0.071 0.909 0.326 1.463     301.009     320.000       6.639   29 
-     80000       16000.00      34.572     -36.030      -1.459   5.39 0.071 0.833 0.318 1.289     313.654     320.000       7.248   29 
-     90000       18000.00      35.693     -29.403       6.290   4.64 0.214 0.571 0.396 2.234     323.822     320.000       7.277   29 
-    100000       20000.00      32.045     -18.918      13.128   5.07 0.214 0.727 0.413 1.778     290.733     320.000       7.956   29 
-    110000       22000.00      45.708      -4.869      40.839   8.59 0.071 0.750 0.193 1.960     414.684     360.000      11.285   29 
-    120000       24000.00      33.354      -7.637      25.717   8.89 0.000 1.000 0.136 1.010     302.604     360.000      11.497   29 
-    130000       26000.00      29.350     -12.669      16.682   6.28 0.000 1.000 0.227 1.459     266.281     360.000      10.283   29 
-    140000       28000.00      41.177      -3.512      37.666   7.44 0.000 1.000 0.227 0.732     373.580     360.000      11.666   29 
-    150000       30000.00      36.620     -12.043      24.577   4.34 0.143 0.500 0.250 3.945     332.235     360.000       8.564   29 
-    160000       32000.00      32.221      -6.526      25.695   7.21 0.000 1.000 0.273 1.772     292.326     360.000      10.763   29 
-    170000       34000.00      32.363      -1.149      31.214   5.70 0.000 1.000 0.636 2.023     293.618     360.000       8.453   29 
-    180000       36000.00      41.955      -3.110      38.846   5.15 0.143 0.500 0.170 1.891     380.641     360.000       8.825   29 
-    190000       38000.00      47.801      -8.951      38.850   5.01 0.071 0.000 0.136 1.638     433.675     360.000       8.639   29 
-    200000       40000.00      30.244      -6.344      23.900   6.13 0.000   NaN   NaN 2.364     274.388     360.000       8.424   29 
-    210000       42000.00      30.011     -16.302      13.710   3.58 0.143 0.714 0.292 1.472     272.280     350.000       7.545   29 
-    220000       44000.00      27.806     -10.115      17.691   5.54 0.071 0.800 0.273 1.547     252.272     350.000       8.848   29 
-    230000       46000.00      32.830     -19.806      13.024   8.16 0.000 1.000 0.136 1.968     297.852     350.000      11.183   29 
-    240000       48000.00      31.137     -21.918       9.219   6.33 0.000 1.000 0.258 1.956     282.493     350.000       9.131   29 
-    250000       50000.00      37.892      -6.533      31.359   6.35 0.071 0.857 0.435 1.254     343.776     350.000       9.260   29 
-    260000       52000.00      38.846      -5.701      33.145   4.68 0.071 0.750 0.239 1.100     352.433     350.000       7.832   29 
-    270000       54000.00      36.568     -11.288      25.279   5.33 0.071 0.750 0.648 1.425     331.762     350.000       8.633   29 
-    280000       56000.00      36.334      -8.161      28.173   5.83 0.143 0.600 0.173 1.617     329.642     350.000       9.668   29 
-    290000       58000.00      31.575     -17.829      13.746   5.40 0.071 0.800 0.318 1.452     286.464     350.000       8.594   29 
-    300000       60000.00      32.972      -8.110      24.862   4.56 0.000 1.000 0.264 0.893     299.142     350.000       7.952   29 
-    310000       62000.00      34.748       4.645      39.393   6.33 0.000 1.000 0.555 3.288     315.251     390.000       8.431   29 
-    320000       64000.00      38.460      -2.604      35.857   7.17 0.071 0.800 0.255 1.523     348.932     390.000       8.944   29 
-    330000       66000.00      34.256       4.559      38.815   5.64 0.071 0.500 0.136 1.653     310.792     390.000       8.746   29 
-    340000       68000.00      33.693      -7.726      25.967   7.21 0.143 0.667 0.242 3.411     305.678     390.000       8.734   29 
-    350000       70000.00      36.532       4.483      41.015   6.75 0.000 1.000 0.227 2.134     331.434     390.000       7.764   29 
-    360000       72000.00      31.801      -1.418      30.382   7.06 0.071 0.000 0.136 1.946     288.514     390.000       9.963   29 
-    370000       74000.00      43.702       8.730      52.432   6.31 0.143 0.500 0.159 2.599     396.487     390.000       9.867   29 
-    380000       76000.00      38.883       7.360      46.242   6.48 0.071 0.667 0.242 1.743     352.766     390.000      10.257   29 
-    390000       78000.00      39.774      -6.212      33.561  11.03 0.000   NaN   NaN 1.830     360.847     390.000      14.873   29 
-    400000       80000.00      41.095      -9.053      32.041   4.50 0.071 0.750 0.205 1.363     372.831     390.000       8.869   29 
-    410000       82000.00      31.260     -21.266       9.995   5.97 0.286 0.429 0.279 1.718     283.611     390.000       7.864   29 
-    420000       84000.00      49.868      -8.435      41.433   9.46 0.143 0.600 0.155 2.248     452.432     390.000      12.866   29 
-    430000       86000.00      33.498      -4.454      29.044   5.50 0.143 0.750 0.403 1.945     303.914     390.000       7.520   29 
-    440000       88000.00      36.525       0.710      37.235  11.19 0.000 1.000 0.182 1.277     331.374     390.000      14.248   29 
-    450000       90000.00      33.068       6.279      39.347   6.82 0.071 0.750 0.193 1.531     300.010     390.000       9.963   29 
-    460000       92000.00      33.554      -5.052      28.502   7.00 0.071 0.800 0.409 1.760     304.419     390.000       8.032   29 
-    470000       94000.00      44.734     -15.836      28.898   4.53 0.000 1.000 0.409 1.217     405.854     390.000       9.200   29 
-    480000       96000.00      39.023     -13.945      25.078   5.59 0.071 0.500 0.205 1.580     354.037     390.000       9.746   29 
-    490000       98000.00      38.986      -1.336      37.650   7.51 0.071 0.500 0.159 2.499     353.698     390.000      11.377   29 
-    500000      100000.00      29.399     -10.955      18.444   4.30 0.071 0.750 0.170 1.420     266.721     390.000       9.130   29 
-    510000      102000.00      30.724      -2.407      28.317   5.06 0.000   NaN   NaN 3.198     278.745     390.000       9.767   29 
-    520000      104000.00      46.551       1.277      47.828   7.33 0.071 0.500 0.205 1.939     422.332     390.000      10.626   29 
-    530000      106000.00      31.347      -2.202      29.145   6.07 0.071 0.889 0.364 1.837     284.397     390.000       7.398   29 
-    540000      108000.00      40.620      -5.044      35.576   6.03 0.143 0.800 0.373 2.502     368.524     390.000       7.660   29 
-    550000      110000.00      40.907      -0.715      40.192   7.38 0.143 0.333 0.182 5.451     371.129     390.000      11.998   29 
-    560000      112000.00      30.889      -7.958      22.932   9.61 0.000 1.000 0.159 1.471     280.244     390.000      12.331   29 
-    570000      114000.00      41.384     -20.476      20.907   6.48 0.071 0.500 0.136 1.303     375.455     390.000       9.947   29 
-    580000      116000.00      37.250       1.796      39.046   4.53 0.000 1.000 0.159 1.257     337.949     390.000       8.912   29 
-    590000      118000.00      33.468     -24.279       9.190   5.31 0.071 0.800 0.355 1.168     303.641     390.000       8.024   29 
-    600000      120000.00      30.033       4.257      34.290   5.74 0.071 0.500 0.227 1.881     272.472     390.000       7.836   29 
-    610000      122000.00      33.678      -0.685      32.992   5.85 0.000   NaN   NaN 2.515     305.540     390.000       9.492   29 
-    620000      124000.00      35.435      -8.769      26.666   6.43 0.071 0.500 0.227 3.146     321.484     390.000      10.640   29 
-    630000      126000.00      36.292       6.531      42.823  11.18 0.000   NaN   NaN 1.503     329.263     390.000      13.598   29 
-    640000      128000.00      31.357      -6.839      24.519   7.65 0.000 1.000 0.182 1.877     284.491     390.000      12.130   29 
-    650000      130000.00      35.329      -0.636      34.693   7.37 0.071 0.500 0.159 2.685     320.525     390.000      10.340   29 
-    660000      132000.00      34.267       1.482      35.749   6.45 0.000 1.000 0.455 2.124     310.890     390.000       9.607   29 
-    670000      134000.00      33.634       1.724      35.358   7.57 0.071 0.800 0.364 1.536     305.146     390.000       7.454   29 
-    680000      136000.00      31.702     -17.749      13.953   5.82 0.143 0.500 0.364 0.622     287.621     390.000       8.154   29 
-    690000      138000.00      41.871      13.302      55.174   4.87 0.000 1.000 0.341 1.603     379.876     390.000       9.326   29 
-    700000      140000.00      38.729       4.611      43.341   7.10 0.000 1.000 0.273 1.990     351.372     390.000       9.132   29 
-    710000      142000.00      38.416      -0.877      37.539   7.43 0.071 0.500 0.205 2.616     348.529     380.000       8.971   29 
-    720000      144000.00      32.254       1.563      33.817   7.59 0.000 1.000 0.273 3.848     292.621     380.000      11.525   29 
-    730000      146000.00      39.357      -9.137      30.220   5.86 0.143 0.333 0.212 1.823     357.067     380.000       8.451   29 
-    740000      148000.00      41.499     -14.897      26.602   4.75 0.071 0.667 0.303 2.407     376.497     380.000       7.928   29 
-    750000      150000.00      32.856       3.823      36.679   4.58 0.071 0.667 0.152 3.244     298.086     380.000       9.509   29 
-    760000      152000.00      46.035     -16.237      29.798   5.58 0.000 1.000 0.418 2.631     417.653     380.000       8.904   29 
-    770000      154000.00      34.639      -7.014      27.625   5.23 0.143 0.333 0.136 1.394     314.263     380.000       9.205   29 
-    780000      156000.00      32.556       2.727      35.283   6.16 0.071 0.800 0.273 1.660     295.362     380.000       9.537   29 
-    790000      158000.00      34.425      -1.209      33.217   5.59 0.071 0.000 0.136 3.337     312.324     380.000       9.314   29 
-    800000      160000.00      40.766     -17.513      23.254   7.75 0.071 0.889 0.268 1.874     369.852     380.000       9.724   29 
-    810000      162000.00      38.748      -4.825      33.924   8.93 0.214 0.250 0.148 2.648     351.546     370.000      11.943   29 
-    820000      164000.00      34.348      -3.807      30.541   5.04 0.000 1.000 0.455 1.980     311.623     370.000       9.155   29 
-    830000      166000.00      46.941     -16.646      30.295   4.20 0.143 0.333 0.197 1.113     425.873     370.000       8.038   29 
-    840000      168000.00      36.426       0.293      36.719   4.49 0.071 0.667 0.197 1.290     330.475     370.000       7.924   29 
-    850000      170000.00      36.366      -8.270      28.097   9.29 0.071 0.667 0.197 1.485     329.934     370.000      13.177   29 
-    860000      172000.00      33.435      -2.365      31.069   5.43 0.000 1.000 0.705 1.606     303.337     370.000       9.477   29 
-    870000      174000.00      40.578      -7.158      33.420   5.69 0.143 0.600 0.455 2.758     368.145     370.000       9.148   29 
-    880000      176000.00      40.148      -9.532      30.617   6.03 0.071 0.750 0.341 0.946     364.248     370.000       8.673   29 
-    890000      178000.00      26.404     -11.476      14.928   5.33 0.143 0.750 0.205 1.750     239.551     370.000       9.302   29 
-    900000      180000.00      43.369     -17.209      26.160   6.58 0.286 0.429 0.208 3.039     393.466     370.000       9.359   29 
-    910000      182000.00      37.863     -10.390      27.474   5.21 0.071 0.500 0.318 2.393     343.516     360.000       8.604   29 
-    920000      184000.00      42.086     -11.724      30.362   6.32 0.071 0.889 0.313 2.173     381.826     360.000       7.968   29 
-    930000      186000.00      52.667      -3.516      49.151   6.07 0.000 1.000 0.500 3.752     477.822     360.000       8.870   29 
-    940000      188000.00      37.711      -4.677      33.034   5.33 0.143 0.600 0.564 2.212     342.133     360.000       7.499   29 
-    950000      190000.00      34.140     -18.440      15.700   5.17 0.071 0.909 0.430 1.304     309.738     360.000       7.871   29 
-    960000      192000.00      35.093       1.144      36.237   4.28 0.071 0.750 0.443 1.595     318.381     360.000       8.765   29 
-    970000      194000.00      29.617     -11.523      18.094   5.31 0.071 0.875 0.500 1.194     268.703     360.000       8.310   29 
-    980000      196000.00      42.817       0.179      42.996   9.40 0.071 0.000 0.182 2.808     388.461     360.000      11.466   29 
-    990000      198000.00      26.804       9.539      36.344   8.49 0.000   NaN   NaN 2.355     243.183     360.000      10.670   29 
-   1000000      200000.00      43.155       1.641      44.796   6.44 0.143 0.750 0.250 1.445     391.524     360.000       7.360   29 
+         0           0.00      49.085      24.551      73.636  12.87 0.000   NaN   NaN 0.714     445.325     390.000      15.552   29 
+     10000        2000.00      43.938      -4.343      39.595   8.61 0.000 1.000 0.205 1.940     398.630     390.000      10.907   29 
+     20000        4000.00      33.518      -6.008      27.511   6.51 0.143 0.500 0.500 0.898     304.095     390.000       7.569   29 
+     30000        6000.00      40.947      -2.215      38.733   5.46 0.000 1.000 0.136 1.851     371.497     390.000       9.399   29 
+     40000        8000.00      34.561      -5.443      29.118   8.88 0.000 1.000 0.227 1.604     313.551     390.000      12.952   29 
+     50000       10000.00      44.912      -3.437      41.475   8.60 0.071 0.667 0.152 1.886     407.462     390.000      12.172   29 
+     60000       12000.00      35.209       2.271      37.480   7.77 0.000   NaN   NaN 2.318     319.436     390.000      12.889   29 
+     70000       14000.00      32.742       4.754      37.496   8.29 0.071 0.000 0.136 2.427     297.051     390.000      13.206   29 
+     80000       16000.00      46.039       7.569      53.608   5.87 0.071 0.000 0.182 1.918     417.687     390.000      10.069   29 
+     90000       18000.00      57.341       6.618      63.959   8.41 0.000   NaN   NaN 2.086     520.231     390.000      11.653   29 
+    100000       20000.00      38.999       1.621      40.620   6.72 0.071 0.667 0.303 2.209     353.819     390.000       8.500   29 
+    110000       22000.00      39.648      -6.382      33.266   5.69 0.000 1.000 0.455 2.589     359.706     380.000       8.947   29 
+    120000       24000.00      33.284      -5.549      27.735   9.35 0.000   NaN   NaN 2.840     301.969     380.000      13.493   29 
+    130000       26000.00      37.331       4.795      42.125   4.48 0.000 1.000 0.682 3.223     338.685     380.000       9.083   29 
+    140000       28000.00      30.484      21.724      52.208   8.00 0.000 1.000 0.250 1.948     276.570     380.000      11.342   29 
+    150000       30000.00      42.303       2.146      44.448   7.85 0.071 0.000 0.136 1.307     383.791     380.000      10.991   29 
+    160000       32000.00      41.595       0.590      42.185   7.73 0.000 1.000 0.250 1.269     377.375     380.000      12.165   29 
+    170000       34000.00      34.526      -0.453      34.073  10.55 0.000   NaN   NaN 1.967     313.237     380.000      13.068   29 
+    180000       36000.00      43.091      11.216      54.307  11.05 0.000 1.000 0.159 1.551     390.941     380.000      14.811   29 
+    190000       38000.00      33.160      -8.483      24.677   5.52 0.071 0.800 0.264 2.647     300.848     380.000       8.868   29 
+    200000       40000.00      42.779      -2.705      40.073   6.00 0.000   NaN   NaN 2.239     388.111     380.000       9.469   29 
+    210000       42000.00      30.071     -12.471      17.601   4.92 0.143 0.500 0.170 1.783     272.824     370.000       7.913   29 
+    220000       44000.00      42.088      -1.563      40.525   6.58 0.000   NaN   NaN 3.555     381.843     370.000      11.878   29 
+    230000       46000.00      41.881      -0.516      41.365   8.30 0.000 1.000 0.273 1.452     379.965     370.000      10.293   29 
+    240000       48000.00      37.597      -3.443      34.154   8.20 0.143 0.000 0.159 1.898     341.101     370.000      10.916   29 
+    250000       50000.00      36.000     -18.125      17.875   4.76 0.214 0.250 0.489 2.014     326.612     370.000       8.749   29 
+    260000       52000.00      33.959      -3.066      30.893  12.18 0.000   NaN   NaN 4.204     308.095     370.000      16.143   29 
+    270000       54000.00      31.546       8.757      40.304   5.50 0.000 1.000 0.136 2.031     286.202     370.000       8.883   29 
+    280000       56000.00      39.267       2.261      41.528   4.97 0.071 0.667 0.227 1.633     356.248     370.000       8.269   29 
+    290000       58000.00      33.125      -3.082      30.043   6.65 0.000 1.000 0.636 0.931     300.523     370.000       7.872   29 
+    300000       60000.00      39.269      -3.077      36.192   5.83 0.000 1.000 0.432 1.864     356.273     370.000       9.804   29 
+    310000       62000.00      30.409     -16.773      13.636   4.75 0.143 0.500 0.341 2.043     275.887     350.000       8.323   29 
+    320000       64000.00      38.932      -3.306      35.626   8.61 0.357 0.000 0.173 1.810     353.213     350.000      11.415   29 
+    330000       66000.00      32.212       4.187      36.399   6.20 0.071 0.500 0.432 1.326     292.244     350.000       7.816   29 
+    340000       68000.00      36.497     -19.133      17.363   5.14 0.143 0.750 0.261 1.842     331.116     350.000       8.255   29 
+    350000       70000.00      38.990      -9.051      29.940   5.76 0.000 1.000 0.364 1.665     353.741     350.000       8.736   29 
+    360000       72000.00      41.950      -3.119      38.831   8.28 0.071 0.500 0.159 1.810     380.592     350.000      12.312   29 
+    370000       74000.00      32.490       2.446      34.936   7.00 0.071 0.500 0.182 1.862     294.763     350.000      10.951   29 
+    380000       76000.00      35.892      -6.806      29.086   6.33 0.071 0.800 0.436 1.373     325.633     350.000       6.854   29 
+    390000       78000.00      33.795     -19.740      14.055   5.14 0.071 0.833 0.235 1.708     306.608     350.000       7.375   29 
+    400000       80000.00      33.847      -8.690      25.158   3.81 0.214 0.667 0.359 2.096     307.080     350.000       7.259   29 
+    410000       82000.00      32.322      -8.585      23.736  10.57 0.000   NaN   NaN 3.770     293.240     350.000      14.370   29 
+    420000       84000.00      38.209      -1.143      37.066   8.34 0.000 1.000 0.159 1.956     346.650     350.000      12.320   29 
+    430000       86000.00      29.320     -32.818      -3.498   4.99 0.143 0.600 0.318 1.585     266.009     350.000       7.506   29 
+    440000       88000.00      28.758      -9.042      19.716   5.40 0.071 0.800 0.227 1.358     260.903     350.000       8.411   29 
+    450000       90000.00      31.074      -0.754      30.321   6.28 0.000   NaN   NaN 1.270     281.922     350.000      10.116   29 
+    460000       92000.00      41.134      -6.965      34.170   6.03 0.000 1.000 0.330 1.884     373.190     350.000       9.973   29 
+    470000       94000.00      30.280     -12.816      17.465   4.82 0.143 0.333 0.303 2.141     274.719     350.000       9.747   29 
+    480000       96000.00      32.234     -16.880      15.353   8.61 0.143 0.000 0.159 2.594     292.442     350.000      13.090   29 
+    490000       98000.00      43.133       0.242      43.375   6.18 0.000 1.000 0.591 1.095     391.322     350.000       9.240   29 
+    500000      100000.00      47.558     -13.063      34.496   5.01 0.071 0.750 0.261 2.223     431.473     350.000       7.238   29 
+    510000      102000.00      30.693     -20.244      10.449   3.77 0.214 0.571 0.481 1.514     278.465     340.000       7.689   29 
+    520000      104000.00      39.462      -9.484      29.978   3.36 0.500 0.364 0.409 1.680     358.019     340.000       7.333   29 
+    530000      106000.00      38.247      -9.332      28.916   6.06 0.000 1.000 0.485 1.551     347.000     340.000       8.485   29 
+    540000      108000.00      40.911     -22.098      18.813   5.70 0.143 0.778 0.298 1.940     371.164     340.000       7.946   29 
+    550000      110000.00      32.343      -1.142      31.201   6.01 0.000 1.000 0.250 2.293     293.436     340.000       7.921   29 
+    560000      112000.00      29.401     -12.446      16.956   4.95 0.071 0.750 0.432 1.246     266.743     340.000       8.086   29 
+    570000      114000.00      31.003     -17.151      13.853   6.60 0.071 0.833 0.379 1.316     281.278     340.000       7.479   29 
+    580000      116000.00      25.510      -7.034      18.476   6.80 0.143 0.778 0.384 1.645     231.439     340.000       7.575   29 
+    590000      118000.00      27.784     -25.081       2.703   6.22 0.286 0.500 0.261 1.350     252.073     340.000       7.239   29 
+    600000      120000.00      31.124     -22.773       8.351   6.33 0.214 0.571 0.338 1.271     282.376     340.000       7.919   29 
+    610000      122000.00      29.796     -25.017       4.778   4.60 0.286 0.714 0.273 1.464     270.321     320.000       7.008   29 
+    620000      124000.00      37.013     -10.251      26.762   5.60 0.071 0.800 0.355 2.147     335.799     320.000       8.603   29 
+    630000      126000.00      29.223      -5.197      24.026  10.23 0.000   NaN   NaN 2.030     265.126     320.000      12.579   29 
+    640000      128000.00      29.292      -8.984      20.308   8.27 0.000 1.000 0.227 1.556     265.750     320.000      11.243   29 
+    650000      130000.00      30.510      -3.627      26.883   5.12 0.143 0.333 0.394 1.865     276.801     320.000       9.335   29 
+    660000      132000.00      36.700     -11.453      25.247   6.13 0.000 1.000 0.500 1.574     332.963     320.000      10.480   29 
+    670000      134000.00      26.232     -17.859       8.374   5.69 0.000   NaN   NaN 1.719     237.994     320.000       9.477   29 
+    680000      136000.00      29.392     -18.429      10.963   3.43 0.143 0.333 0.136 1.448     266.661     320.000       8.918   29 
+    690000      138000.00      33.448     -20.035      13.413   4.34 0.214 0.700 0.286 2.383     303.457     320.000       7.507   29 
+    700000      140000.00      25.858     -23.456       2.402   6.70 0.143 0.714 0.169 0.897     234.594     320.000       8.181   29 
+    710000      142000.00      31.635     -23.507       8.128   3.83 0.214 0.700 0.309 2.495     287.006     310.000       8.055   29 
+    720000      144000.00      37.668     -14.672      22.995   5.40 0.143 0.714 0.351 2.152     341.741     310.000       8.187   29 
+    730000      146000.00      29.094     -27.434       1.660   7.42 0.214 0.750 0.223 1.505     263.954     310.000       7.866   29 
+    740000      148000.00      27.983     -22.516       5.467   3.86 0.214 0.667 0.323 2.081     253.874     310.000       7.283   29 
+    750000      150000.00      30.319     -18.590      11.729   6.05 0.071 0.667 0.197 1.967     275.069     310.000       8.753   29 
+    760000      152000.00      33.613     -17.583      16.030   4.53 0.286 0.600 0.255 1.025     304.957     310.000       7.975   29 
+    770000      154000.00      22.457     -28.170      -5.714   4.93 0.214 0.727 0.388 2.220     203.738     310.000       7.053   29 
+    780000      156000.00      27.378     -24.745       2.632   5.07 0.214 0.500 0.311 1.208     248.385     310.000       7.429   29 
+    790000      158000.00      29.412     -29.455      -0.043   2.36 0.500 0.417 0.383 2.553     266.837     310.000       6.940   29 
+    800000      160000.00      33.265     -13.177      20.088   4.53 0.143 0.818 0.417 1.406     301.795     310.000       6.742   29 
+    810000      162000.00      30.232     -37.416      -7.184   4.67 0.357 0.583 0.197 1.824     274.280     310.000       7.645   29 
+    820000      164000.00      29.636     -13.336      16.299   5.71 0.143 0.600 0.227 2.014     268.871     310.000       9.051   29 
+    830000      166000.00      31.635     -26.235       5.400   5.19 0.214 0.500 0.242 1.546     287.006     310.000       7.959   29 
+    840000      168000.00      25.100     -16.162       8.938   5.39 0.143 0.714 0.383 1.693     227.721     310.000       9.145   29 
+    850000      170000.00      33.310     -19.980      13.330   5.85 0.214 0.250 0.602 2.639     302.207     310.000       8.763   29 
+    860000      172000.00      35.533     -23.436      12.097   6.43 0.143 0.714 0.182 1.581     322.376     310.000       9.875   29 
+    870000      174000.00      30.262     -25.338       4.923   3.68 0.214 0.700 0.414 1.684     274.550     310.000       7.298   29 
+    880000      176000.00      33.255     -24.034       9.221   5.70 0.071 0.889 0.318 1.424     301.704     310.000       7.603   29 
+    890000      178000.00      29.200     -18.693      10.508   6.43 0.071 0.833 0.280 2.678     264.920     310.000       9.610   29 
+    900000      180000.00      36.389     -23.564      12.825   3.67 0.071 0.800 0.191 1.742     330.139     310.000       7.483   29 
+    910000      182000.00      31.511     -15.694      15.817   5.31 0.214 0.625 0.250 1.249     285.882     310.000       7.430   29 
+    920000      184000.00      33.583     -13.395      20.188   6.59 0.143 0.500 0.170 2.607     304.681     310.000       9.753   29 
+    930000      186000.00      28.073     -20.157       7.915   6.76 0.143 0.667 0.242 1.532     254.689     310.000       7.557   29 
+    940000      188000.00      29.688     -21.928       7.761   6.00 0.143 0.600 0.300 1.371     269.346     310.000       8.471   29 
+    950000      190000.00      31.150     -18.930      12.219   5.18 0.214 0.500 0.235 1.430     282.605     310.000       7.408   29 
+    960000      192000.00      34.467     -32.730       1.737   4.91 0.214 0.750 0.348 2.309     312.698     310.000       6.771   29 
+    970000      194000.00      32.976     -25.085       7.892   4.66 0.214 0.625 0.335 1.672     299.178     310.000       7.847   29 
+    980000      196000.00      18.731     -36.105     -17.375   4.59 0.143 0.600 0.400 1.634     169.935     310.000       8.970   29 
+    990000      198000.00      31.287     -22.156       9.131   4.46 0.286 0.500 0.506 2.331     283.848     310.000       8.226   29 
+   1000000      200000.00      27.744     -27.210       0.534   4.41 0.286 0.692 0.318 1.261     251.707     310.000       7.114   29 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB030.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB030.stat
index 12a574a..9d764b2 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB030.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB030.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.539      21.102      54.641  12.87 0.000   NaN   NaN 0.934     304.279     320.000      15.552   30 
-     10000        2000.00      34.880     -17.083      17.797   4.98 0.071 0.875 0.489 3.139     316.453     320.000       8.269   30 
-     20000        4000.00      33.027     -20.782      12.246   6.69 0.071 0.800 0.182 1.201     299.642     320.000       8.086   30 
-     30000        6000.00      32.752     -38.920      -6.168   7.31 0.143 0.800 0.336 1.918     297.143     320.000       6.811   30 
-     40000        8000.00      33.571     -15.717      17.854   5.88 0.071 0.750 0.432 1.903     304.569     320.000       8.998   30 
-     50000       10000.00      29.232     -25.520       3.713   4.34 0.357 0.643 0.279 1.435     265.210     320.000       7.328   30 
-     60000       12000.00      26.409     -32.587      -6.178   5.15 0.143 0.778 0.404 2.001     239.594     320.000       7.085   30 
-     70000       14000.00      34.443     -34.472      -0.029   3.36 0.357 0.545 0.306 1.645     312.484     320.000       6.996   30 
-     80000       16000.00      32.138     -35.250      -3.112   2.56 0.429 0.143 0.253 1.799     291.575     320.000       7.325   30 
-     90000       18000.00      33.445     -28.189       5.256   4.51 0.214 0.812 0.398 1.554     303.432     320.000       6.589   30 
-    100000       20000.00      34.375     -21.098      13.277   3.96 0.214 0.769 0.199 1.670     311.869     320.000       7.928   30 
-    110000       22000.00      28.098     -16.520      11.578   6.09 0.071 0.667 0.258 1.178     254.917     320.000       9.468   30 
-    120000       24000.00      38.810     -37.104       1.706   3.96 0.286 0.667 0.348 3.156     352.103     320.000       6.751   30 
-    130000       26000.00      27.159     -37.866     -10.706   3.39 0.286 0.636 0.281 1.431     246.404     320.000       7.448   30 
-    140000       28000.00      33.095     -29.413       3.682   4.43 0.214 0.750 0.428 1.665     300.251     320.000       6.885   30 
-    150000       30000.00      26.500      -8.615      17.885   7.71 0.071 0.667 0.273 1.143     240.417     320.000       9.422   30 
-    160000       32000.00      28.331     -29.704      -1.372   6.52 0.143 0.600 0.164 1.459     257.035     320.000      10.097   30 
-    170000       34000.00      25.062     -37.617     -12.555   7.21 0.071 0.857 0.338 1.078     227.375     320.000       7.497   30 
-    180000       36000.00      27.166     -37.913     -10.747   6.95 0.143 0.800 0.341 1.918     246.466     320.000       6.933   30 
-    190000       38000.00      38.519     -12.841      25.678   7.90 0.071 0.667 0.197 2.160     349.464     320.000      11.031   30 
-    200000       40000.00      31.961     -27.427       4.534   6.31 0.071 0.833 0.220 4.275     289.963     320.000       7.946   30 
-    210000       42000.00      33.032     -13.577      19.455   8.23 0.000 1.000 0.273 1.980     299.683     340.000      10.315   30 
-    220000       44000.00      30.488      -1.909      28.579   4.61 0.071 0.667 0.227 1.646     276.605     340.000       7.883   30 
-    230000       46000.00      40.425     -13.536      26.888   5.50 0.071 0.833 0.280 3.851     366.753     340.000       8.759   30 
-    240000       48000.00      31.249      -9.870      21.380   3.96 0.143 0.333 0.348 2.399     283.509     340.000       8.375   30 
-    250000       50000.00      33.455     -24.542       8.913   4.43 0.143 0.714 0.331 2.818     303.522     340.000       8.087   30 
-    260000       52000.00      30.061     -28.776       1.285   4.69 0.000 1.000 0.364 1.120     272.725     340.000       7.875   30 
-    270000       54000.00      28.859     -27.561       1.298   6.95 0.071 0.917 0.333 1.280     261.820     340.000       7.242   30 
-    280000       56000.00      34.331     -24.781       9.551   6.87 0.071 0.900 0.341 2.091     311.473     340.000       7.028   30 
-    290000       58000.00      35.977      -8.788      27.189   5.13 0.071 0.750 0.307 1.956     326.402     340.000       8.640   30 
-    300000       60000.00      31.994     -21.226      10.769   6.27 0.143 0.667 0.273 2.020     290.270     340.000       7.775   30 
-    310000       62000.00      28.048     -27.968       0.080   5.78 0.143 0.714 0.331 1.481     254.468     330.000       7.726   30 
-    320000       64000.00      24.546     -14.364      10.182   5.21 0.071 0.750 0.307 2.800     222.693     330.000       8.128   30 
-    330000       66000.00      30.607     -21.865       8.743   5.43 0.143 0.778 0.414 1.435     277.687     330.000       7.471   30 
-    340000       68000.00      27.211     -26.205       1.007   5.82 0.143 0.714 0.201 1.218     246.876     330.000       7.669   30 
-    350000       70000.00      30.529     -17.267      13.262   5.11 0.214 0.571 0.247 2.219     276.975     330.000       7.557   30 
-    360000       72000.00      35.042     -18.996      16.045   4.72 0.286 0.429 0.338 3.545     317.917     330.000       7.906   30 
-    370000       74000.00      31.174     -25.091       6.083   5.76 0.286 0.667 0.337 1.799     282.825     330.000       7.181   30 
-    380000       76000.00      35.318     -30.538       4.780   3.91 0.071 0.875 0.466 1.881     320.423     330.000       7.021   30 
-    390000       78000.00      33.043     -28.568       4.475   4.29 0.000 1.000 0.545 0.981     299.786     330.000       6.899   30 
-    400000       80000.00      32.609     -26.328       6.281   7.34 0.000 1.000 0.331 1.414     295.844     330.000       7.016   30 
-    410000       82000.00      30.788     -30.959      -0.171   4.15 0.214 0.625 0.324 0.900     279.326     330.000       7.670   30 
-    420000       84000.00      25.850     -27.144      -1.294   5.45 0.214 0.667 0.283 1.659     234.524     330.000       7.197   30 
-    430000       86000.00      35.323     -28.565       6.758   4.23 0.214 0.786 0.438 1.038     320.468     330.000       7.143   30 
-    440000       88000.00      38.732     -38.188       0.544   5.41 0.214 0.750 0.345 1.884     351.395     330.000       7.114   30 
-    450000       90000.00      34.142     -27.356       6.786   4.95 0.071 0.857 0.565 1.179     309.755     330.000       8.026   30 
-    460000       92000.00      37.364     -12.828      24.536   3.98 0.071 0.857 0.234 1.141     338.987     330.000       7.679   30 
-    470000       94000.00      35.113     -35.633      -0.519   5.09 0.429 0.600 0.385 2.471     318.567     330.000       6.907   30 
-    480000       96000.00      33.609     -30.924       2.685   3.45 0.357 0.643 0.383 3.113     304.914     330.000       6.895   30 
-    490000       98000.00      24.155     -11.323      12.832   6.93 0.071 0.667 0.167 1.768     219.149     330.000      10.182   30 
-    500000      100000.00      41.067      -7.065      34.002   6.66 0.000 1.000 0.318 2.409     372.580     330.000       8.182   30 
-    510000      102000.00      30.399     -22.526       7.873   4.36 0.214 0.571 0.539 1.267     275.793     390.000       8.527   30 
-    520000      104000.00      37.512      -5.522      31.990   4.58 0.000 1.000 0.318 1.862     340.328     390.000       9.083   30 
-    530000      106000.00      36.225     -19.324      16.902   5.42 0.214 0.250 0.375 1.814     328.656     390.000       7.284   30 
-    540000      108000.00      37.250       2.566      39.816   6.07 0.000 1.000 0.364 1.087     337.950     390.000       7.619   30 
-    550000      110000.00      30.456      -0.161      30.295   8.44 0.000 1.000 0.318 2.250     276.316     390.000      11.713   30 
-    560000      112000.00      42.544      -2.460      40.084   9.97 0.000 1.000 0.182 1.066     385.978     390.000      12.666   30 
-    570000      114000.00      40.716      -5.495      35.221   8.48 0.000 1.000 0.273 1.320     369.400     390.000      12.060   30 
-    580000      116000.00      37.975       2.297      40.273   7.03 0.071 0.917 0.409 2.297     344.532     390.000       6.929   30 
-    590000      118000.00      40.913      -7.528      33.385   5.44 0.071 0.667 0.424 2.314     371.185     390.000       8.777   30 
-    600000      120000.00      32.770      -2.486      30.284   8.33 0.071 0.500 0.159 2.102     297.303     390.000      10.473   30 
-    610000      122000.00      29.944     -11.382      18.561   5.47 0.071 0.800 0.609 1.103     271.665     380.000       7.121   30 
-    620000      124000.00      46.902      -6.667      40.235   7.41 0.000   NaN   NaN 2.389     425.520     380.000      10.725   30 
-    630000      126000.00      34.518     -11.100      23.418   5.62 0.000 1.000 0.398 0.947     313.165     380.000       8.165   30 
-    640000      128000.00      39.578       2.476      42.054   5.98 0.000 1.000 0.530 1.419     359.072     380.000       8.270   30 
-    650000      130000.00      42.100     -16.916      25.185   5.00 0.143 0.333 0.182 2.789     381.955     380.000       8.502   30 
-    660000      132000.00      45.070     -16.666      28.404   5.22 0.071 0.800 0.518 2.116     408.897     380.000       7.782   30 
-    670000      134000.00      42.185     -10.439      31.745   7.98 0.071 0.667 0.197 2.036     382.721     380.000      10.434   30 
-    680000      136000.00      35.372     -12.955      22.417   6.05 0.071 0.500 0.386 1.220     320.911     380.000       8.729   30 
-    690000      138000.00      39.141     -13.776      25.366   4.03 0.286 0.200 0.273 2.005     355.111     380.000       8.167   30 
-    700000      140000.00      36.670     -25.577      11.093   4.32 0.071 0.500 0.295 1.342     332.686     380.000       8.085   30 
-    710000      142000.00      31.664      -4.919      26.745   6.06 0.000 1.000 0.573 2.170     287.273     380.000       7.298   30 
-    720000      144000.00      37.552      -1.721      35.831   5.45 0.143 0.714 0.526 2.496     340.694     380.000       9.817   30 
-    730000      146000.00      36.068      -3.041      33.027   7.11 0.071 0.667 0.242 1.180     327.225     380.000       9.281   30 
-    740000      148000.00      41.572      -3.993      37.579   6.66 0.000 1.000 0.250 1.723     377.165     380.000      10.030   30 
-    750000      150000.00      41.596      -4.613      36.983   7.90 0.000   NaN   NaN 1.697     377.378     380.000      12.747   30 
-    760000      152000.00      37.433      -3.168      34.265   7.04 0.071 0.800 0.191 1.311     339.611     380.000      10.056   30 
-    770000      154000.00      30.033      -4.633      25.400   7.32 0.071 0.750 0.205 2.713     272.473     380.000       9.639   30 
-    780000      156000.00      42.883     -11.197      31.686   4.89 0.000 1.000 0.273 1.138     389.055     380.000       8.294   30 
-    790000      158000.00      42.211      -3.056      39.155   5.39 0.000 1.000 0.295 1.905     382.960     380.000       7.989   30 
-    800000      160000.00      45.346     -10.512      34.834   5.33 0.143 0.750 0.375 1.468     411.403     380.000       7.632   30 
-    810000      162000.00      38.129      -0.513      37.616   8.07 0.000 1.000 0.205 1.786     345.928     380.000      11.304   30 
-    820000      164000.00      39.875      -2.675      37.200   9.40 0.000 1.000 0.136 2.085     361.769     380.000      13.627   30 
-    830000      166000.00      48.659      -1.069      47.590   5.09 0.000 1.000 0.227 1.070     441.464     380.000       9.165   30 
-    840000      168000.00      30.150      -4.909      25.241   4.96 0.071 0.500 0.205 1.355     273.538     380.000       9.182   30 
-    850000      170000.00      35.843     -14.225      21.617   6.15 0.000 1.000 0.545 1.528     325.184     380.000       9.415   30 
-    860000      172000.00      33.406       2.867      36.273   7.99 0.000   NaN   NaN 1.343     303.075     380.000      11.129   30 
-    870000      174000.00      35.048      -8.656      26.392   5.38 0.071 0.667 0.182 2.480     317.974     380.000       9.356   30 
-    880000      176000.00      36.941      -3.848      33.093   6.07 0.071 0.667 0.409 1.219     335.144     380.000       9.254   30 
-    890000      178000.00      46.889      -2.494      44.395   7.36 0.000 1.000 0.273 2.193     425.403     380.000      10.735   30 
-    900000      180000.00      39.104      -3.184      35.920   7.46 0.071 0.667 0.167 3.663     354.772     380.000      11.112   30 
-    910000      182000.00      41.263      -5.422      35.841   6.32 0.071 0.800 0.436 0.981     374.358     370.000       8.373   30 
-    920000      184000.00      33.388     -18.942      14.445   4.87 0.000 1.000 0.461 2.277     302.910     370.000       8.041   30 
-    930000      186000.00      35.054     -19.974      15.080   5.50 0.143 0.500 0.295 1.553     318.032     370.000       8.290   30 
-    940000      188000.00      38.527      -0.141      38.387   5.24 0.000 1.000 0.682 0.724     349.540     370.000       9.250   30 
-    950000      190000.00      29.782     -17.956      11.826   5.81 0.143 0.714 0.338 1.795     270.199     370.000       8.117   30 
-    960000      192000.00      35.217       5.491      40.708   7.27 0.000 1.000 0.273 1.912     319.506     370.000      10.929   30 
-    970000      194000.00      37.251      -6.009      31.242   5.08 0.000 1.000 0.341 2.106     337.960     370.000       9.020   30 
-    980000      196000.00      39.104      -1.704      37.400   5.24 0.071 0.800 0.382 2.488     354.774     370.000       8.629   30 
-    990000      198000.00      41.277      -3.850      37.427   5.41 0.071 0.800 0.409 3.569     374.487     370.000       7.769   30 
-   1000000      200000.00      29.710     -24.020       5.690   5.98 0.143 0.500 0.307 1.059     269.541     370.000       7.723   30 
+         0           0.00      35.615      24.561      60.177  12.87 0.000   NaN   NaN 0.715     323.121     400.000      15.552   30 
+     10000        2000.00      43.067       4.500      47.567   4.82 0.071 0.667 0.409 1.348     390.725     400.000       8.410   30 
+     20000        4000.00      52.806      -2.271      50.535  11.43 0.000   NaN   NaN 1.450     479.086     400.000      15.760   30 
+     30000        6000.00      45.142      -1.490      43.652   8.59 0.000 1.000 0.273 2.834     409.553     400.000      10.734   30 
+     40000        8000.00      54.640       7.738      62.378  12.83 0.000   NaN   NaN 2.368     495.723     400.000      15.782   30 
+     50000       10000.00      45.959      14.351      60.309   8.81 0.071 0.000 0.182 2.131     416.961     400.000      12.912   30 
+     60000       12000.00      31.080      16.948      48.028   9.17 0.000   NaN   NaN 4.018     281.972     400.000      12.349   30 
+     70000       14000.00      34.342       1.947      36.289   7.20 0.000 1.000 0.182 1.334     311.567     400.000      12.066   30 
+     80000       16000.00      35.410       3.308      38.717   5.29 0.071 0.667 0.318 2.752     321.254     400.000       9.152   30 
+     90000       18000.00      38.968       8.505      47.473   6.91 0.000 1.000 0.273 1.994     353.542     400.000      10.636   30 
+    100000       20000.00      35.620       5.460      41.081   5.90 0.071 0.667 0.470 1.401     323.168     400.000       7.694   30 
+    110000       22000.00      37.754       6.719      44.472   5.78 0.071 0.667 0.152 1.743     342.522     390.000      10.478   30 
+    120000       24000.00      35.433       3.153      38.586   7.92 0.071 0.667 0.242 2.012     321.470     390.000      10.343   30 
+    130000       26000.00      41.823      -2.451      39.371   5.25 0.000 1.000 0.250 1.264     379.437     390.000       8.753   30 
+    140000       28000.00      40.823      -5.722      35.101   5.55 0.000 1.000 0.485 2.189     370.365     390.000       7.879   30 
+    150000       30000.00      41.158       8.207      49.365   7.16 0.000 1.000 0.182 3.191     373.410     390.000      10.420   30 
+    160000       32000.00      37.833      -6.405      31.428   7.54 0.071 0.667 0.182 1.392     343.242     390.000      11.052   30 
+    170000       34000.00      50.124       5.117      55.240   7.55 0.071 0.000 0.136 1.588     454.748     390.000      11.940   30 
+    180000       36000.00      41.503       7.386      48.889   5.03 0.071 0.667 0.288 2.748     376.538     390.000       8.698   30 
+    190000       38000.00      36.574       7.690      44.264  11.42 0.000   NaN   NaN 2.760     331.822     390.000      15.174   30 
+    200000       40000.00      37.112      -5.097      32.015   6.28 0.071 0.667 0.318 1.937     336.699     390.000       9.441   30 
+    210000       42000.00      37.803       0.825      38.627   6.41 0.000 1.000 0.466 1.712     342.966     390.000       7.309   30 
+    220000       44000.00      29.502       9.442      38.944   5.88 0.000 1.000 0.258 2.655     267.659     390.000       7.823   30 
+    230000       46000.00      31.767      -0.748      31.019   5.85 0.214 0.000 0.152 1.581     288.207     390.000       8.117   30 
+    240000       48000.00      35.528     -10.306      25.222   5.38 0.143 0.000 0.136 1.937     322.333     390.000       9.212   30 
+    250000       50000.00      37.564      -2.332      35.232  12.84 0.000 1.000 0.136 2.074     340.796     390.000      15.862   30 
+    260000       52000.00      45.691      -4.508      41.182   5.12 0.000 1.000 0.182 1.706     414.528     390.000       9.182   30 
+    270000       54000.00      31.277       4.769      36.046   5.09 0.000 1.000 0.364 1.675     283.759     390.000      10.384   30 
+    280000       56000.00      46.278      -0.793      45.486   6.90 0.071 0.000 0.136 1.551     419.860     390.000      11.506   30 
+    290000       58000.00      43.426       9.957      53.383   9.96 0.000 1.000 0.136 2.195     393.980     390.000      14.153   30 
+    300000       60000.00      42.444       4.433      46.877   8.43 0.071 0.000 0.182 1.128     385.074     390.000      12.102   30 
+    310000       62000.00      41.361     -11.913      29.448  11.70 0.071 0.000 0.182 1.438     375.246     390.000      14.496   30 
+    320000       64000.00      39.766      -4.493      35.273   5.71 0.071 0.500 0.182 2.451     360.779     390.000       9.520   30 
+    330000       66000.00      35.886       2.832      38.718   6.92 0.000   NaN   NaN 1.388     325.574     390.000      11.467   30 
+    340000       68000.00      32.413      -3.649      28.765   5.84 0.071 0.500 0.295 1.467     294.072     390.000       9.054   30 
+    350000       70000.00      29.806      -6.896      22.910   6.22 0.071 0.500 0.182 2.615     270.417     390.000      10.037   30 
+    360000       72000.00      34.724       3.146      37.870   9.02 0.143 0.000 0.159 2.730     315.030     390.000      12.681   30 
+    370000       74000.00      37.248      -0.584      36.664   4.47 0.000   NaN   NaN 1.880     337.933     390.000       9.662   30 
+    380000       76000.00      32.902       1.350      34.252   7.24 0.000   NaN   NaN 1.233     298.501     390.000      11.019   30 
+    390000       78000.00      39.052       9.395      48.447  10.74 0.071 0.000 0.136 2.730     354.302     390.000      13.522   30 
+    400000       80000.00      41.610       0.476      42.087   6.56 0.000 1.000 0.273 4.456     377.510     390.000      10.082   30 
+    410000       82000.00      39.234       6.087      45.320  12.92 0.000   NaN   NaN 1.605     355.948     390.000      16.334   30 
+    420000       84000.00      30.021      -7.588      22.432   6.86 0.000 1.000 0.348 1.982     272.364     390.000      10.405   30 
+    430000       86000.00      39.421      14.513      53.933  12.86 0.000   NaN   NaN 3.100     357.644     390.000      16.009   30 
+    440000       88000.00      41.989       0.068      42.057   5.32 0.071 0.000 0.182 2.283     380.949     390.000      10.206   30 
+    450000       90000.00      43.841       4.459      48.301   5.05 0.000 1.000 0.182 2.154     397.750     390.000       9.109   30 
+    460000       92000.00      37.663       5.170      42.833   5.37 0.000 1.000 0.409 1.917     341.697     390.000       9.587   30 
+    470000       94000.00      40.478      12.892      53.371   6.88 0.071 0.000 0.136 2.713     367.239     390.000      11.011   30 
+    480000       96000.00      41.023       9.606      50.629   6.06 0.000 1.000 0.182 2.094     372.184     390.000      10.704   30 
+    490000       98000.00      41.910      -6.076      35.834   3.33 0.214 0.667 0.217 1.965     380.228     390.000       7.360   30 
+    500000      100000.00      35.232      -7.396      27.836   6.15 0.000   NaN   NaN 1.460     319.643     390.000       9.288   30 
+    510000      102000.00      38.906      12.919      51.825   6.57 0.071 0.000 0.136 1.998     352.974     380.000       9.774   30 
+    520000      104000.00      42.379       5.661      48.039   6.75 0.071 0.000 0.227 2.616     384.480     380.000      10.595   30 
+    530000      106000.00      38.463      13.625      52.088  10.72 0.000   NaN   NaN 2.198     348.952     380.000      14.529   30 
+    540000      108000.00      38.709       0.988      39.697   8.36 0.000 1.000 0.182 1.311     351.190     380.000      12.614   30 
+    550000      110000.00      33.176      10.931      44.107  11.90 0.000   NaN   NaN 2.458     300.992     380.000      14.863   30 
+    560000      112000.00      39.300      -5.936      33.364   9.95 0.071 0.500 0.182 4.233     356.549     380.000      13.807   30 
+    570000      114000.00      45.685      -2.691      42.994   4.83 0.000 1.000 0.545 1.184     414.479     380.000       8.872   30 
+    580000      116000.00      38.069       5.847      43.916   9.28 0.000   NaN   NaN 1.976     345.384     380.000      12.716   30 
+    590000      118000.00      33.785       9.639      43.423   9.72 0.000   NaN   NaN 1.558     306.514     380.000      13.589   30 
+    600000      120000.00      33.112     -10.792      22.320   4.79 0.143 0.000 0.750 2.148     300.411     380.000       7.808   30 
+    610000      122000.00      33.348      -6.046      27.302   6.15 0.000 1.000 0.682 2.035     302.550     360.000       8.757   30 
+    620000      124000.00      30.745      -3.545      27.200   6.84 0.143 0.000 0.136 1.213     278.938     360.000      10.310   30 
+    630000      126000.00      31.859       2.678      34.537   6.92 0.000   NaN   NaN 1.731     289.038     360.000      10.487   30 
+    640000      128000.00      30.636       3.187      33.824   9.50 0.071 0.667 0.182 1.771     277.947     360.000      11.367   30 
+    650000      130000.00      31.303       3.302      34.604   7.73 0.071 0.667 0.318 2.013     283.996     360.000       9.421   30 
+    660000      132000.00      35.814      13.200      49.014  10.14 0.071 0.000 0.136 2.823     324.925     360.000      12.614   30 
+    670000      134000.00      36.809       5.957      42.765   6.60 0.071 0.750 0.318 2.936     333.948     360.000       9.557   30 
+    680000      136000.00      39.735      -3.298      36.437   7.73 0.000 1.000 0.227 1.838     360.497     360.000      10.426   30 
+    690000      138000.00      36.866       3.148      40.014   8.51 0.000   NaN   NaN 1.790     334.468     360.000      11.150   30 
+    700000      140000.00      34.326      -8.481      25.845   9.38 0.000 1.000 0.227 1.361     311.426     360.000      12.201   30 
+    710000      142000.00      39.199       4.114      43.312   8.44 0.071 0.667 0.152 2.517     355.630     360.000      11.579   30 
+    720000      144000.00      41.529       0.665      42.194   7.02 0.000 1.000 0.136 2.989     376.770     360.000      11.937   30 
+    730000      146000.00      34.912      -7.802      27.110   5.66 0.071 0.833 0.523 2.088     316.740     360.000       8.231   30 
+    740000      148000.00      33.502     -11.675      21.827   8.82 0.000 1.000 0.273 1.440     303.951     360.000      11.386   30 
+    750000      150000.00      36.665      -5.024      31.641   7.94 0.071 0.750 0.239 2.469     332.640     360.000      11.042   30 
+    760000      152000.00      39.046       6.645      45.691   7.72 0.000 1.000 0.318 1.548     354.247     360.000       9.858   30 
+    770000      154000.00      45.526      -7.743      37.783   9.22 0.000   NaN   NaN 1.211     413.033     360.000      13.444   30 
+    780000      156000.00      38.188      -3.437      34.752   6.98 0.000 1.000 0.239 1.414     346.464     360.000      10.949   30 
+    790000      158000.00      36.262       5.602      41.864   4.82 0.000 1.000 0.477 2.213     328.989     360.000       7.732   30 
+    800000      160000.00      38.042      -6.971      31.070   6.48 0.071 0.889 0.333 2.509     345.132     360.000       7.555   30 
+    810000      162000.00      22.826      12.061      34.887   7.28 0.000   NaN   NaN 1.680     207.085     350.000      11.642   30 
+    820000      164000.00      29.292      -7.221      22.071   3.87 0.214 0.400 0.309 2.217     265.751     350.000       8.362   30 
+    830000      166000.00      31.580      -2.540      29.041   8.81 0.000 1.000 0.136 1.530     286.513     350.000      11.400   30 
+    840000      168000.00      35.141      -7.226      27.914   5.39 0.000 1.000 0.205 1.043     318.813     350.000       7.779   30 
+    850000      170000.00      42.645      -6.572      36.072   4.62 0.143 0.714 0.461 2.674     386.895     350.000       8.346   30 
+    860000      172000.00      35.855     -17.920      17.935   3.54 0.214 0.700 0.291 1.754     325.297     350.000       7.038   30 
+    870000      174000.00      33.577     -10.373      23.204   5.65 0.071 0.500 0.159 2.126     304.628     350.000       9.828   30 
+    880000      176000.00      33.789     -13.846      19.943   6.90 0.071 0.500 0.205 1.762     306.553     350.000      10.085   30 
+    890000      178000.00      37.957      -7.246      30.711   4.36 0.071 0.800 0.409 4.962     344.367     350.000       7.486   30 
+    900000      180000.00      37.372      -2.481      34.891   5.59 0.000 1.000 0.159 0.946     339.061     350.000       9.339   30 
+    910000      182000.00      39.615      -6.542      33.073   4.92 0.071 0.750 0.284 1.336     359.406     340.000       8.100   30 
+    920000      184000.00      28.831       0.588      29.419   6.15 0.000 1.000 0.373 2.079     261.572     340.000       9.217   30 
+    930000      186000.00      38.006      -5.336      32.670   6.43 0.071 0.875 0.466 3.056     344.810     340.000       6.963   30 
+    940000      188000.00      34.299      -5.261      29.038   7.75 0.143 0.333 0.182 2.359     311.182     340.000      10.258   30 
+    950000      190000.00      33.247     -18.057      15.190   5.80 0.071 0.000 0.182 2.251     301.636     340.000       9.817   30 
+    960000      192000.00      34.028      -3.369      30.659   7.51 0.000 1.000 0.273 1.421     308.722     340.000      11.745   30 
+    970000      194000.00      37.764      11.491      49.254   4.96 0.000 1.000 0.182 3.059     342.613     340.000       9.190   30 
+    980000      196000.00      33.121      -9.324      23.797   7.32 0.000 1.000 0.227 1.127     300.495     340.000       9.825   30 
+    990000      198000.00      33.374     -10.131      23.244   4.40 0.000 1.000 0.364 1.321     302.791     340.000       8.596   30 
+   1000000      200000.00      37.099      -0.965      36.134   6.37 0.071 0.000 0.136 1.351     336.580     340.000      10.635   30 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB031.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB031.stat
index ffbd912..a40bc9b 100644
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB031.stat
+++ b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB031.stat
@@ -1,101 +1,101 @@
-         0           0.00      36.022      21.102      57.124  12.87 0.000   NaN   NaN 0.934     326.810     320.000      15.552   31 
-     10000        2000.00      32.655     -20.658      11.997   5.29 0.071 0.875 0.426 2.674     296.263     320.000       7.735   31 
-     20000        4000.00      28.484     -40.295     -11.810   3.95 0.143 0.750 0.557 0.911     258.426     320.000       6.895   31 
-     30000        6000.00      34.987     -27.734       7.253   4.62 0.143 0.750 0.449 1.233     317.419     320.000       6.888   31 
-     40000        8000.00      37.126     -38.129      -1.003   6.19 0.214 0.750 0.356 2.185     336.822     320.000       6.668   31 
-     50000       10000.00      24.209     -35.218     -11.010   4.37 0.143 0.714 0.266 1.656     219.632     320.000       7.029   31 
-     60000       12000.00      28.992     -21.532       7.460   5.77 0.214 0.625 0.193 2.451     263.026     320.000       7.900   31 
-     70000       14000.00      33.836     -27.878       5.959   4.59 0.214 0.667 0.374 0.881     306.982     320.000       7.289   31 
-     80000       16000.00      28.010     -31.096      -3.086   7.39 0.143 0.714 0.188 1.462     254.123     320.000       9.023   31 
-     90000       18000.00      28.428     -47.323     -18.895   5.43 0.214 0.786 0.393 1.700     257.910     320.000       6.634   31 
-    100000       20000.00      43.751     -25.193      18.558   5.35 0.071 0.900 0.395 1.337     396.935     320.000       7.514   31 
-    110000       22000.00      29.110     -26.972       2.138   4.82 0.143 0.778 0.232 1.694     264.099     330.000       7.452   31 
-    120000       24000.00      36.187     -25.962      10.226   6.32 0.214 0.571 0.253 0.831     328.311     330.000       7.081   31 
-    130000       26000.00      32.199     -29.325       2.874   4.02 0.286 0.556 0.197 1.357     292.126     330.000       7.093   31 
-    140000       28000.00      24.941     -27.198      -2.257   4.35 0.214 0.800 0.358 1.616     226.274     330.000       6.655   31 
-    150000       30000.00      28.568     -17.293      11.274   8.90 0.143 0.333 0.152 0.801     259.180     330.000      11.388   31 
-    160000       32000.00      34.119     -22.073      12.045   5.64 0.071 0.750 0.318 1.290     309.542     330.000       8.077   31 
-    170000       34000.00      31.816     -11.828      19.989   4.31 0.143 0.750 0.381 3.205     288.655     330.000       8.717   31 
-    180000       36000.00      35.492     -14.015      21.478   5.22 0.214 0.625 0.267 2.150     322.006     330.000       7.207   31 
-    190000       38000.00      34.128      -6.571      27.557   5.45 0.071 0.667 0.394 1.454     309.629     330.000       8.194   31 
-    200000       40000.00      33.927     -22.688      11.240   5.61 0.214 0.667 0.460 1.886     307.806     330.000       7.774   31 
-    210000       42000.00      39.861     -34.912       4.949   6.00 0.143 0.714 0.312 1.683     361.641     330.000       7.306   31 
-    220000       44000.00      30.897     -20.209      10.688   6.86 0.143 0.818 0.405 1.065     280.313     330.000       6.781   31 
-    230000       46000.00      23.671     -32.040      -8.368   5.02 0.214 0.700 0.436 1.630     214.759     330.000       7.627   31 
-    240000       48000.00      36.471     -31.548       4.923   3.24 0.214 0.727 0.364 2.314     330.880     330.000       7.506   31 
-    250000       50000.00      33.777     -14.512      19.264   5.49 0.143 0.500 0.159 1.541     306.438     330.000       7.292   31 
-    260000       52000.00      32.456     -42.388      -9.932   5.30 0.143 0.800 0.405 1.157     294.462     330.000       6.929   31 
-    270000       54000.00      44.007     -17.625      26.382   4.55 0.214 0.500 0.280 1.856     399.257     330.000       8.004   31 
-    280000       56000.00      30.029     -31.483      -1.453   4.63 0.214 0.667 0.207 1.852     272.442     330.000       6.630   31 
-    290000       58000.00      29.123     -40.056     -10.933   4.25 0.286 0.692 0.353 1.026     264.220     330.000       6.917   31 
-    300000       60000.00      33.208     -12.050      21.157   5.03 0.143 0.000 0.182 1.375     301.277     330.000       7.487   31 
-    310000       62000.00      33.422     -20.121      13.301   4.97 0.143 0.600 0.182 1.702     303.223     350.000       8.408   31 
-    320000       64000.00      27.875     -20.499       7.375   3.70 0.071 0.875 0.278 1.636     252.894     350.000       7.434   31 
-    330000       66000.00      34.951     -26.419       8.532   6.23 0.143 0.833 0.402 1.846     317.093     350.000       7.262   31 
-    340000       68000.00      39.493      -8.239      31.253   4.63 0.143 0.667 0.235 3.618     358.299     350.000       8.470   31 
-    350000       70000.00      49.978     -25.179      24.799   7.04 0.071 0.900 0.414 1.942     453.427     350.000       7.094   31 
-    360000       72000.00      39.499     -11.413      28.086   7.21 0.071 0.875 0.358 2.163     358.355     350.000       7.178   31 
-    370000       74000.00      29.435     -29.533      -0.098   5.33 0.214 0.700 0.364 0.895     267.048     350.000       7.377   31 
-    380000       76000.00      38.196     -12.035      26.161   5.15 0.214 0.500 0.364 1.662     346.534     350.000       8.098   31 
-    390000       78000.00      36.408      -7.612      28.796   4.84 0.143 0.600 0.491 1.733     330.317     350.000       8.228   31 
-    400000       80000.00      32.630      -7.106      25.525   9.95 0.000 1.000 0.273 1.163     296.039     350.000      12.871   31 
-    410000       82000.00      48.522     -12.758      35.763   7.40 0.214 0.500 0.159 0.329     440.214     360.000       9.855   31 
-    420000       84000.00      38.842      -6.304      32.538   7.63 0.000 1.000 0.273 2.611     352.393     360.000      11.031   31 
-    430000       86000.00      40.630     -21.077      19.553   5.78 0.214 0.571 0.266 1.045     368.615     360.000       7.552   31 
-    440000       88000.00      34.276       0.731      35.007   7.29 0.071 0.000 0.136 1.208     310.969     360.000       9.690   31 
-    450000       90000.00      38.840      -5.638      33.203   5.53 0.143 0.333 0.273 2.170     352.379     360.000      10.117   31 
-    460000       92000.00      35.333      -3.023      32.310   5.45 0.143 0.714 0.195 3.269     320.557     360.000       8.898   31 
-    470000       94000.00      33.030     -14.817      18.212   5.38 0.071 0.800 0.264 1.551     299.661     360.000       8.219   31 
-    480000       96000.00      39.955      -6.304      33.651   5.17 0.143 0.500 0.375 3.117     362.492     360.000       7.657   31 
-    490000       98000.00      46.155      -4.844      41.311   5.13 0.071 0.500 0.295 2.078     418.739     360.000       9.044   31 
-    500000      100000.00      43.251      -8.315      34.935   6.63 0.000 1.000 0.424 1.193     392.392     360.000       7.935   31 
-    510000      102000.00      44.142     -11.885      32.257   6.99 0.071 0.800 0.209 1.674     400.476     350.000       8.585   31 
-    520000      104000.00      36.383      -0.278      36.105   6.77 0.000 1.000 0.182 1.917     330.086     350.000       8.596   31 
-    530000      106000.00      40.262      -7.759      32.504   5.35 0.071 0.750 0.420 1.563     365.281     350.000       8.402   31 
-    540000      108000.00      38.566     -18.545      20.021   6.23 0.286 0.600 0.259 1.028     349.895     350.000       7.782   31 
-    550000      110000.00      35.452      -8.131      27.322   5.29 0.214 0.700 0.455 2.380     321.643     350.000       7.969   31 
-    560000      112000.00      45.050     -12.743      32.307   7.71 0.000 1.000 0.227 1.765     408.720     350.000      12.322   31 
-    570000      114000.00      36.249       0.281      36.530   9.08 0.071 0.500 0.159 2.573     328.867     350.000      11.752   31 
-    580000      116000.00      40.695      -6.840      33.855   6.44 0.071 0.500 0.136 3.453     369.203     350.000       8.911   31 
-    590000      118000.00      39.721     -29.552      10.169   5.69 0.286 0.556 0.172 1.970     360.373     350.000       8.842   31 
-    600000      120000.00      33.199     -23.158      10.040   6.28 0.214 0.571 0.429 2.593     301.195     350.000       7.239   31 
-    610000      122000.00      37.623     -11.585      26.038   6.94 0.214 0.700 0.350 1.293     341.337     350.000       7.451   31 
-    620000      124000.00      33.823     -18.634      15.189   5.03 0.214 0.750 0.375 1.886     306.857     350.000       7.088   31 
-    630000      126000.00      25.260     -14.910      10.350   6.20 0.000 1.000 0.364 2.326     229.170     350.000       9.286   31 
-    640000      128000.00      34.343     -15.422      18.921   5.49 0.071 0.833 0.394 2.112     311.574     350.000       7.113   31 
-    650000      130000.00      27.736     -13.046      14.689   5.24 0.143 0.500 0.352 2.739     251.631     350.000       8.943   31 
-    660000      132000.00      28.364     -14.385      13.980   5.70 0.000 1.000 0.591 1.172     257.336     350.000       8.922   31 
-    670000      134000.00      41.594     -18.088      23.506   5.39 0.143 0.600 0.327 3.334     377.363     350.000       8.429   31 
-    680000      136000.00      32.480      -3.346      29.134   6.70 0.071 0.667 0.197 1.418     294.677     350.000      10.199   31 
-    690000      138000.00      30.991     -13.262      17.729   5.61 0.071 0.750 0.205 1.510     281.164     350.000       8.153   31 
-    700000      140000.00      32.968     -14.298      18.669   5.86 0.143 0.800 0.450 3.397     299.100     350.000       7.554   31 
-    710000      142000.00      33.601      -8.522      25.079   5.98 0.000 1.000 0.455 3.793     304.843     350.000       7.975   31 
-    720000      144000.00      26.367       1.377      27.744   7.10 0.143 0.667 0.212 0.959     239.212     350.000       7.940   31 
-    730000      146000.00      26.934      -4.251      22.683   4.25 0.071 0.750 0.159 1.707     244.360     350.000       8.454   31 
-    740000      148000.00      32.554     -12.784      19.770   6.15 0.000 1.000 0.273 1.248     295.350     350.000      10.157   31 
-    750000      150000.00      40.225     -21.208      19.017   5.35 0.143 0.333 0.197 2.213     364.944     350.000       7.910   31 
-    760000      152000.00      32.344     -13.237      19.107   7.35 0.000 1.000 0.282 2.464     293.437     350.000       7.304   31 
-    770000      154000.00      29.905     -13.142      16.763   7.39 0.000 1.000 0.295 1.569     271.315     350.000       8.079   31 
-    780000      156000.00      30.516     -14.807      15.710   6.97 0.214 0.571 0.403 2.612     276.860     350.000       7.537   31 
-    790000      158000.00      30.420      -5.178      25.242   5.31 0.071 0.750 0.330 2.385     275.985     350.000       8.525   31 
-    800000      160000.00      32.771     -27.322       5.449   4.53 0.143 0.714 0.344 1.497     297.319     350.000       7.934   31 
-    810000      162000.00      37.709      -9.076      28.633   5.17 0.143 0.500 0.148 3.720     342.114     350.000       7.676   31 
-    820000      164000.00      35.326      -6.360      28.966   4.09 0.071 0.500 0.136 1.984     320.495     350.000       8.805   31 
-    830000      166000.00      27.668     -23.320       4.349   5.82 0.071 0.909 0.393 1.752     251.023     350.000       7.434   31 
-    840000      168000.00      35.627     -11.496      24.132   4.81 0.071 0.857 0.610 2.498     323.231     350.000       8.986   31 
-    850000      170000.00      37.405     -11.108      26.297   6.73 0.143 0.778 0.490 2.233     339.359     350.000       7.338   31 
-    860000      172000.00      36.454     -21.850      14.604   6.38 0.071 0.800 0.300 1.680     330.732     350.000       7.626   31 
-    870000      174000.00      29.796     -24.894       4.902   6.98 0.000 1.000 0.470 1.399     270.320     350.000       7.843   31 
-    880000      176000.00      35.027     -19.346      15.681   7.10 0.143 0.714 0.338 2.419     317.785     350.000       7.394   31 
-    890000      178000.00      30.823     -17.703      13.120   6.06 0.143 0.714 0.299 1.206     279.641     350.000       8.486   31 
-    900000      180000.00      36.956     -12.540      24.415   6.58 0.071 0.857 0.266 1.683     335.281     350.000       7.214   31 
-    910000      182000.00      39.807     -19.179      20.628   6.24 0.143 0.667 0.326 1.799     361.146     350.000       8.799   31 
-    920000      184000.00      23.199     -25.322      -2.123   6.59 0.143 0.333 0.197 2.124     210.472     350.000      10.697   31 
-    930000      186000.00      26.205      -9.126      17.079   3.99 0.214 0.571 0.240 2.258     237.749     350.000       7.690   31 
-    940000      188000.00      40.536      -9.681      30.855   4.98 0.214 0.400 0.145 1.667     367.760     350.000       9.122   31 
-    950000      190000.00      39.181     -14.000      25.182   4.59 0.143 0.667 0.295 1.292     355.474     350.000       8.104   31 
-    960000      192000.00      33.708     -16.078      17.630   4.76 0.214 0.750 0.348 2.568     305.815     350.000       7.186   31 
-    970000      194000.00      32.241     -10.607      21.635   9.45 0.214 0.500 0.152 2.759     292.509     350.000      11.654   31 
-    980000      196000.00      33.732     -14.746      18.986   5.17 0.071 0.667 0.182 0.766     306.036     350.000       7.938   31 
-    990000      198000.00      27.951      -7.790      20.161   5.00 0.071 0.750 0.182 1.988     253.583     350.000       9.143   31 
-   1000000      200000.00      33.902     -13.873      20.028   6.30 0.000 1.000 0.303 1.033     307.574     350.000       8.760   31 
+         0           0.00      34.575      24.561      59.136  12.87 0.000   NaN   NaN 0.715     313.682     400.000      15.552   31 
+     10000        2000.00      35.384       7.894      43.278   7.39 0.071 0.500 0.205 3.204     321.023     400.000      11.328   31 
+     20000        4000.00      43.009       3.505      46.514   9.56 0.143 0.333 0.182 1.141     390.199     400.000      11.752   31 
+     30000        6000.00      36.341       6.335      42.676   7.43 0.000   NaN   NaN 2.173     329.700     400.000      10.565   31 
+     40000        8000.00      48.669       7.128      55.797   7.16 0.071 0.000 0.136 1.764     441.555     400.000      10.038   31 
+     50000       10000.00      45.746       6.559      52.304   7.54 0.143 0.333 0.152 2.395     415.028     400.000      11.819   31 
+     60000       12000.00      46.439      16.214      62.653   8.49 0.000 1.000 0.227 1.405     421.319     400.000      10.125   31 
+     70000       14000.00      35.681       6.448      42.128   6.66 0.071 0.000 0.182 1.293     323.714     400.000       9.586   31 
+     80000       16000.00      41.888       2.153      44.042  11.57 0.000   NaN   NaN 3.128     380.033     400.000      14.445   31 
+     90000       18000.00      42.363       6.645      49.008   8.39 0.000   NaN   NaN 1.529     384.337     400.000      12.756   31 
+    100000       20000.00      41.653      15.185      56.838   5.29 0.000 1.000 0.227 1.224     377.901     400.000       9.738   31 
+    110000       22000.00      40.375       7.790      48.165   5.61 0.214 0.400 0.336 2.806     366.301     400.000       8.632   31 
+    120000       24000.00      44.606       6.872      51.478  10.95 0.071 0.667 0.152 1.629     404.690     400.000      13.602   31 
+    130000       26000.00      34.999      -0.790      34.209   6.73 0.071 0.500 0.227 1.929     317.532     400.000      11.545   31 
+    140000       28000.00      33.742       3.421      37.163   7.62 0.000 1.000 0.182 1.680     306.122     400.000      10.726   31 
+    150000       30000.00      35.232      -5.430      29.802   6.51 0.071 0.000 0.136 1.289     319.645     400.000      10.323   31 
+    160000       32000.00      43.511      -8.669      34.842   5.81 0.071 0.000 0.136 2.147     394.753     400.000      10.192   31 
+    170000       34000.00      54.105      22.672      76.777   4.92 0.071 0.500 0.136 1.417     490.865     400.000       9.656   31 
+    180000       36000.00      33.893      11.483      45.376   8.92 0.071 0.000 0.182 1.130     307.494     400.000      11.709   31 
+    190000       38000.00      39.822       1.286      41.108   7.15 0.000   NaN   NaN 1.706     361.284     400.000      10.813   31 
+    200000       40000.00      36.500       8.478      44.979   5.69 0.000 1.000 0.439 2.461     331.149     400.000       8.791   31 
+    210000       42000.00      40.243      -2.478      37.765   5.34 0.143 0.600 0.236 2.354     365.104     380.000       8.393   31 
+    220000       44000.00      37.222      11.540      48.761   5.24 0.000   NaN   NaN 1.771     337.695     380.000       9.130   31 
+    230000       46000.00      38.562      11.620      50.182   5.64 0.071 0.500 0.545 1.854     349.857     380.000       7.482   31 
+    240000       48000.00      31.671       1.191      32.862   3.82 0.071 0.667 0.258 2.419     287.331     380.000       8.316   31 
+    250000       50000.00      39.516      -9.516      30.000   5.92 0.143 0.000 0.136 1.165     358.507     380.000      10.654   31 
+    260000       52000.00      35.103       0.873      35.975   5.84 0.143 0.500 0.500 4.010     318.468     380.000       8.863   31 
+    270000       54000.00      38.366      -2.094      36.272   5.19 0.000 1.000 0.295 1.559     348.078     380.000       8.895   31 
+    280000       56000.00      43.690       4.216      47.906   9.64 0.143 0.000 0.136 4.044     396.378     380.000      12.719   31 
+    290000       58000.00      30.481       6.189      36.671   5.19 0.000   NaN   NaN 2.683     276.541     380.000       9.430   31 
+    300000       60000.00      41.225       4.379      45.604   6.66 0.000 1.000 0.250 1.593     374.011     380.000       9.662   31 
+    310000       62000.00      33.068       9.573      42.641   8.08 0.000 1.000 0.212 2.893     300.010     400.000      11.349   31 
+    320000       64000.00      34.863       4.378      39.241   9.25 0.071 0.000 0.136 1.829     316.294     400.000      13.509   31 
+    330000       66000.00      46.552      -9.151      37.400   6.01 0.071 0.667 0.500 1.530     422.340     400.000      10.239   31 
+    340000       68000.00      28.649      -2.344      26.305  11.03 0.071 0.000 0.136 1.135     259.923     400.000      15.490   31 
+    350000       70000.00      54.691       6.419      61.110  10.12 0.071 0.000 0.182 1.829     496.183     400.000      12.826   31 
+    360000       72000.00      36.576       3.845      40.421   8.73 0.071 0.500 0.136 3.303     331.836     400.000      12.230   31 
+    370000       74000.00      47.936       2.254      50.190  11.78 0.000 1.000 0.136 2.674     434.905     400.000      15.672   31 
+    380000       76000.00      34.236       6.791      41.027   8.32 0.071 0.500 0.205 1.649     310.609     400.000      11.847   31 
+    390000       78000.00      37.855      -4.381      33.474  10.58 0.071 0.000 0.136 3.305     343.445     400.000      14.242   31 
+    400000       80000.00      34.727       2.657      37.384   6.67 0.000 1.000 0.318 1.907     315.060     400.000      10.125   31 
+    410000       82000.00      44.804      13.793      58.598   5.42 0.000 1.000 0.295 2.654     406.488     380.000       8.928   31 
+    420000       84000.00      44.095      -5.022      39.073   3.90 0.143 0.714 0.331 2.593     400.053     380.000       7.965   31 
+    430000       86000.00      43.310      -1.489      41.820   4.34 0.071 0.000 0.136 2.736     392.928     380.000       8.771   31 
+    440000       88000.00      37.760       1.847      39.607   8.07 0.000   NaN   NaN 1.597     342.579     380.000      12.132   31 
+    450000       90000.00      39.320     -20.540      18.780   7.13 0.214 0.571 0.273 1.296     356.728     380.000       7.646   31 
+    460000       92000.00      33.439      -4.644      28.795   7.15 0.071 0.500 0.182 1.109     303.377     380.000      11.304   31 
+    470000       94000.00      37.403       0.787      38.190   7.38 0.000 1.000 0.227 3.055     339.340     380.000      11.345   31 
+    480000       96000.00      38.517       3.807      42.324   9.84 0.000 1.000 0.136 1.392     349.446     380.000      13.229   31 
+    490000       98000.00      35.307      -8.744      26.563   9.50 0.071 0.500 0.205 0.927     320.322     380.000      11.763   31 
+    500000      100000.00      36.890       6.406      43.296   8.72 0.071 0.667 0.182 3.446     334.685     380.000      12.215   31 
+    510000      102000.00      32.008       2.034      34.042   7.15 0.071 0.000 0.136 1.548     290.393     400.000      10.964   31 
+    520000      104000.00      26.792       4.578      31.370   9.69 0.000 1.000 0.409 1.542     243.068     400.000      12.136   31 
+    530000      106000.00      40.465       2.776      43.241   5.95 0.000 1.000 0.159 1.471     367.119     400.000       9.712   31 
+    540000      108000.00      41.089       5.530      46.619   7.69 0.071 0.750 0.239 1.094     372.778     400.000       8.705   31 
+    550000      110000.00      37.171       4.602      41.774   5.40 0.000 1.000 0.273 1.595     337.238     400.000       9.097   31 
+    560000      112000.00      38.848      24.705      63.553   9.06 0.071 0.000 0.136 3.873     352.445     400.000      11.815   31 
+    570000      114000.00      36.366      19.280      55.646   5.55 0.000   NaN   NaN 5.689     329.934     400.000       9.710   31 
+    580000      116000.00      34.780     -10.586      24.195   5.02 0.143 0.714 0.221 1.734     315.546     400.000       7.536   31 
+    590000      118000.00      42.220      -2.308      39.912  10.17 0.000   NaN   NaN 2.831     383.042     400.000      13.973   31 
+    600000      120000.00      42.099      -4.848      37.251   6.63 0.071 0.500 0.500 1.287     381.943     400.000       7.971   31 
+    610000      122000.00      38.597       2.028      40.625   8.73 0.000 1.000 0.273 1.401     350.175     390.000      11.068   31 
+    620000      124000.00      45.659       5.027      50.686  11.84 0.000   NaN   NaN 2.376     414.246     390.000      16.362   31 
+    630000      126000.00      37.655       7.589      45.244   6.53 0.214 0.400 0.155 3.114     341.627     390.000      10.070   31 
+    640000      128000.00      33.229       1.550      34.779   9.27 0.000   NaN   NaN 0.984     301.472     390.000      12.075   31 
+    650000      130000.00      36.699       0.670      37.369   5.91 0.000   NaN   NaN 2.239     332.953     390.000      10.271   31 
+    660000      132000.00      44.763      -8.981      35.782   9.13 0.000 1.000 0.273 0.956     406.113     390.000      11.977   31 
+    670000      134000.00      35.781      13.664      49.445  13.30 0.000   NaN   NaN 1.387     324.620     390.000      16.325   31 
+    680000      136000.00      40.040      -6.186      33.854   4.92 0.071 0.800 0.409 1.199     363.262     390.000       7.878   31 
+    690000      138000.00      36.112      -0.829      35.283   9.50 0.000   NaN   NaN 1.897     327.631     390.000      13.435   31 
+    700000      140000.00      36.175       9.160      45.335   8.66 0.000   NaN   NaN 2.407     328.197     390.000      12.548   31 
+    710000      142000.00      38.756       7.735      46.491   6.07 0.071 0.800 0.436 0.833     351.611     380.000       8.514   31 
+    720000      144000.00      48.056      -4.518      43.538   7.10 0.071 0.500 0.205 0.710     435.986     380.000      10.711   31 
+    730000      146000.00      40.379      -4.539      35.840   4.74 0.071 0.500 0.432 1.603     366.342     380.000       8.991   31 
+    740000      148000.00      24.146       3.678      27.824   5.76 0.000 1.000 0.409 1.822     219.061     380.000       9.253   31 
+    750000      150000.00      41.727       1.034      42.762   6.42 0.143 0.667 0.212 2.524     378.571     380.000       9.170   31 
+    760000      152000.00      39.015       2.610      41.625   7.72 0.000 1.000 0.273 1.678     353.961     380.000       8.514   31 
+    770000      154000.00      40.028       0.704      40.732   9.12 0.000   NaN   NaN 2.704     363.155     380.000      11.372   31 
+    780000      156000.00      36.656       0.119      36.775   5.83 0.000 1.000 0.636 1.581     332.559     380.000       9.546   31 
+    790000      158000.00      36.021       2.684      38.705   6.86 0.000 1.000 0.136 1.465     326.799     380.000      10.983   31 
+    800000      160000.00      30.756      -4.796      25.960  10.97 0.214 0.250 0.148 2.640     279.030     380.000      13.766   31 
+    810000      162000.00      42.369      -0.517      41.851   5.84 0.000 1.000 0.455 1.579     384.390     380.000       9.663   31 
+    820000      164000.00      36.616      -7.726      28.890   9.78 0.000   NaN   NaN 1.843     332.199     380.000      12.317   31 
+    830000      166000.00      48.481      -4.688      43.793   5.26 0.143 0.333 0.439 1.838     439.841     380.000       8.822   31 
+    840000      168000.00      38.699      -8.073      30.626   5.63 0.071 0.833 0.470 1.533     351.096     380.000       8.729   31 
+    850000      170000.00      37.774       2.187      39.962  11.27 0.000 1.000 0.273 2.297     342.708     380.000      13.975   31 
+    860000      172000.00      33.351       9.669      43.020  13.14 0.071 0.000 0.136 1.921     302.578     380.000      16.770   31 
+    870000      174000.00      36.948       9.968      46.916   5.78 0.214 0.571 0.214 2.177     335.211     380.000       9.994   31 
+    880000      176000.00      39.497      -2.913      36.583   9.16 0.071 0.000 0.182 1.646     358.333     380.000      12.081   31 
+    890000      178000.00      49.399      -8.768      40.631   7.49 0.143 0.500 0.159 1.784     448.172     380.000      10.633   31 
+    900000      180000.00      36.197       3.848      40.046   6.17 0.071 0.500 0.205 1.147     328.400     380.000       8.908   31 
+    910000      182000.00      45.793      -0.530      45.262  10.61 0.000   NaN   NaN 1.416     415.453     390.000      13.924   31 
+    920000      184000.00      42.719      -6.996      35.724   6.53 0.000   NaN   NaN 0.815     387.570     390.000       9.861   31 
+    930000      186000.00      42.112      -9.609      32.503   8.36 0.000 1.000 0.227 2.573     382.065     390.000      12.328   31 
+    940000      188000.00      43.655      -1.786      41.869   7.14 0.143 0.333 0.182 2.948     396.058     390.000      11.639   31 
+    950000      190000.00      32.901      -4.033      28.868   7.02 0.000   NaN   NaN 1.476     298.495     390.000       9.288   31 
+    960000      192000.00      43.284      -4.467      38.817   9.09 0.000 1.000 0.227 2.276     392.695     390.000      12.457   31 
+    970000      194000.00      35.983       7.953      43.935   9.39 0.000   NaN   NaN 3.114     326.453     390.000      13.851   31 
+    980000      196000.00      33.280      -3.025      30.255   8.92 0.000   NaN   NaN 1.024     301.932     390.000      13.254   31 
+    990000      198000.00      30.773       4.639      35.412   5.56 0.000 1.000 0.727 1.857     279.192     390.000       8.099   31 
+   1000000      200000.00      39.426      -1.955      37.471   6.92 0.000 1.000 0.136 2.441     357.691     390.000      11.735   31 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB032.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB032.stat
deleted file mode 100644
index a9396fb..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB032.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      32.682      21.053      53.734  12.87 0.000   NaN   NaN 0.933     296.504     330.000      15.552   32 
-     10000        2000.00      36.028     -11.959      24.069   5.51 0.214 0.625 0.494 2.112     326.866     330.000       7.788   32 
-     20000        4000.00      28.775     -22.838       5.937   4.90 0.214 0.571 0.481 0.898     261.061     330.000       7.291   32 
-     30000        6000.00      31.918     -22.923       8.994   5.59 0.000 1.000 0.358 0.818     289.572     330.000       7.792   32 
-     40000        8000.00      29.286     -25.921       3.365   6.31 0.071 0.857 0.558 0.671     265.698     330.000       7.430   32 
-     50000       10000.00      34.574     -19.473      15.102   5.70 0.000 1.000 0.364 1.324     313.675     330.000       8.240   32 
-     60000       12000.00      33.780     -11.358      22.422   6.20 0.071 0.857 0.403 1.653     306.471     330.000       7.551   32 
-     70000       14000.00      24.019     -18.252       5.767   5.29 0.071 0.750 0.227 1.271     217.911     330.000       7.480   32 
-     80000       16000.00      34.120     -14.038      20.082   5.84 0.000 1.000 0.357 1.429     309.556     330.000       7.895   32 
-     90000       18000.00      29.262     -25.340       3.922   6.28 0.143 0.778 0.288 1.261     265.478     330.000       8.004   32 
-    100000       20000.00      37.582     -31.019       6.563   6.04 0.286 0.714 0.325 1.245     340.960     330.000       7.669   32 
-    110000       22000.00      26.563     -28.489      -1.926   4.79 0.357 0.167 0.159 4.003     240.996     320.000       8.730   32 
-    120000       24000.00      30.466     -22.427       8.039   5.75 0.143 0.714 0.409 1.211     276.406     320.000       8.452   32 
-    130000       26000.00      39.083     -21.134      17.949   4.31 0.286 0.333 0.235 2.554     354.579     320.000       7.419   32 
-    140000       28000.00      29.294     -42.443     -13.150   5.51 0.286 0.556 0.434 1.886     265.767     320.000       6.790   32 
-    150000       30000.00      33.986     -30.551       3.435   6.70 0.143 0.600 0.518 1.943     308.337     320.000       7.759   32 
-    160000       32000.00      28.220     -16.538      11.682   5.29 0.071 0.833 0.250 2.336     256.023     320.000       8.122   32 
-    170000       34000.00      42.853     -28.106      14.746   5.17 0.143 0.800 0.345 1.448     388.782     320.000       7.467   32 
-    180000       36000.00      26.052     -24.569       1.482   4.36 0.143 0.800 0.450 1.440     236.353     320.000       7.269   32 
-    190000       38000.00      25.599     -17.340       8.259   2.64 0.214 0.400 0.145 1.788     232.245     320.000       7.799   32 
-    200000       40000.00      41.476     -38.869       2.607   4.94 0.143 0.857 0.312 1.075     376.295     320.000       7.013   32 
-    210000       42000.00      24.647     -25.963      -1.316   5.11 0.143 0.800 0.227 1.184     223.613     310.000       7.541   32 
-    220000       44000.00      27.780     -29.845      -2.066   4.81 0.286 0.556 0.207 1.161     252.032     310.000       8.884   32 
-    230000       46000.00      32.273     -19.762      12.511   5.05 0.143 0.667 0.295 1.523     292.795     310.000       7.970   32 
-    240000       48000.00      36.012     -26.257       9.756   6.41 0.143 0.750 0.409 2.840     326.724     310.000       7.279   32 
-    250000       50000.00      28.659     -30.701      -2.042   6.42 0.143 0.750 0.278 1.358     260.006     310.000       7.455   32 
-    260000       52000.00      28.018     -21.711       6.307   4.46 0.214 0.571 0.234 1.628     254.193     310.000       7.475   32 
-    270000       54000.00      26.900     -26.250       0.650   6.43 0.429 0.400 0.173 1.250     244.049     310.000       8.853   32 
-    280000       56000.00      33.792     -28.225       5.567   5.75 0.071 0.900 0.286 1.244     306.579     310.000       6.991   32 
-    290000       58000.00      27.344     -39.799     -12.454   4.46 0.286 0.750 0.358 1.320     248.081     310.000       7.163   32 
-    300000       60000.00      32.887     -29.862       3.024   5.52 0.143 0.778 0.389 2.052     298.365     310.000       7.394   32 
-    310000       62000.00      34.579     -26.600       7.979   7.33 0.143 0.333 0.182 1.933     313.722     320.000      10.333   32 
-    320000       64000.00      30.895     -36.696      -5.801   2.82 0.429 0.667 0.321 2.483     280.294     320.000       6.419   32 
-    330000       66000.00      29.932     -25.984       3.948   4.43 0.286 0.429 0.162 1.666     271.555     320.000       8.905   32 
-    340000       68000.00      27.288     -34.756      -7.469   4.63 0.286 0.667 0.258 1.618     247.567     320.000       6.798   32 
-    350000       70000.00      27.916     -35.354      -7.438   6.05 0.143 0.750 0.369 1.206     253.269     320.000       6.788   32 
-    360000       72000.00      31.299     -33.928      -2.629   4.73 0.214 0.727 0.231 2.368     283.957     320.000       6.952   32 
-    370000       74000.00      29.806     -35.400      -5.594   3.84 0.286 0.692 0.339 1.426     270.417     320.000       7.316   32 
-    380000       76000.00      29.405     -31.972      -2.567   5.57 0.000 1.000 0.455 2.027     266.773     320.000       8.281   32 
-    390000       78000.00      31.309     -29.948       1.362   6.39 0.143 0.600 0.236 0.887     284.056     320.000       7.196   32 
-    400000       80000.00      35.195     -26.060       9.135   5.30 0.214 0.400 0.200 1.991     319.305     320.000       8.628   32 
-    410000       82000.00      29.537     -46.397     -16.860   4.92 0.143 0.833 0.390 2.604     267.975     320.000       6.794   32 
-    420000       84000.00      36.042     -17.071      18.971   4.72 0.143 0.600 0.273 3.292     326.992     320.000       8.488   32 
-    430000       86000.00      27.594     -23.141       4.453   6.17 0.143 0.800 0.364 2.924     250.345     320.000       6.881   32 
-    440000       88000.00      27.820     -27.095       0.725   4.86 0.143 0.818 0.413 1.279     252.400     320.000       7.269   32 
-    450000       90000.00      29.461     -24.800       4.661   5.49 0.071 0.857 0.578 1.382     267.285     320.000       7.112   32 
-    460000       92000.00      40.355     -24.481      15.874   4.04 0.071 0.900 0.341 1.094     366.119     320.000       7.210   32 
-    470000       94000.00      37.407     -14.958      22.450   4.19 0.214 0.667 0.212 1.986     339.380     320.000       7.924   32 
-    480000       96000.00      27.718     -31.684      -3.966   3.20 0.357 0.500 0.186 1.817     251.475     320.000       7.189   32 
-    490000       98000.00      23.283     -28.251      -4.969   4.37 0.143 0.800 0.359 1.119     211.235     320.000       7.395   32 
-    500000      100000.00      27.397     -32.071      -4.674   3.37 0.286 0.556 0.197 1.246     248.562     320.000       7.203   32 
-    510000      102000.00      34.317     -36.717      -2.400   6.62 0.357 0.444 0.157 1.391     311.339     300.000       7.924   32 
-    520000      104000.00      24.618     -28.316      -3.698   6.92 0.214 0.400 0.173 1.424     223.346     300.000      10.454   32 
-    530000      106000.00      27.229     -41.020     -13.790   4.32 0.357 0.722 0.407 1.201     247.039     300.000       6.395   32 
-    540000      108000.00      32.302     -41.859      -9.557   3.37 0.286 0.692 0.395 3.522     293.058     300.000       6.734   32 
-    550000      110000.00      29.833     -42.900     -13.067   5.96 0.357 0.583 0.189 1.764     270.661     300.000       7.915   32 
-    560000      112000.00      22.274     -39.450     -17.177   4.49 0.214 0.727 0.343 1.502     202.079     300.000       6.899   32 
-    570000      114000.00      30.646     -43.020     -12.373   3.28 0.357 0.643 0.269 1.496     278.039     300.000       6.687   32 
-    580000      116000.00      30.645     -29.310       1.335   3.02 0.286 0.667 0.250 2.655     278.030     300.000       6.823   32 
-    590000      118000.00      30.218     -39.992      -9.774   3.99 0.286 0.636 0.438 1.368     274.153     300.000       6.598   32 
-    600000      120000.00      28.336     -46.697     -18.361   2.89 0.143 0.800 0.236 1.147     257.079     300.000       6.923   32 
-    610000      122000.00      28.631     -56.839     -28.208   2.38 0.429 0.647 0.254 1.808     259.759     280.000       6.719   32 
-    620000      124000.00      41.391     -51.689     -10.297   3.25 0.500 0.588 0.249 3.442     375.525     280.000       6.742   32 
-    630000      126000.00      32.923     -41.781      -8.859   1.71 0.500 0.222 0.333 1.801     298.692     280.000       6.831   32 
-    640000      128000.00      31.499     -56.310     -24.811   1.80 0.500 0.500 0.321 2.271     285.773     280.000       6.672   32 
-    650000      130000.00      22.232     -53.787     -31.555   1.97 0.571 0.529 0.337 1.794     201.700     280.000       6.702   32 
-    660000      132000.00      29.622     -40.197     -10.575   5.13 0.357 0.545 0.182 2.304     268.748     280.000       8.361   32 
-    670000      134000.00      26.052     -46.261     -20.209   4.77 0.286 0.556 0.222 1.047     236.357     280.000       8.422   32 
-    680000      136000.00      33.542     -49.360     -15.817   2.49 0.571 0.579 0.337 1.678     304.312     280.000       6.343   32 
-    690000      138000.00      23.872     -46.119     -22.247   2.19 0.429 0.571 0.185 0.837     216.578     280.000       7.131   32 
-    700000      140000.00      29.496     -43.489     -13.993   2.28 0.429 0.538 0.287 1.680     267.605     280.000       6.810   32 
-    710000      142000.00      26.058     -52.943     -26.884   1.89 0.429 0.600 0.297 1.097     236.414     280.000       6.907   32 
-    720000      144000.00      30.429     -29.738       0.691   8.66 0.571 0.200 0.159 3.740     276.068     280.000      11.266   32 
-    730000      146000.00      30.658     -40.774     -10.116   3.99 0.357 0.500 0.182 1.340     278.146     280.000       8.246   32 
-    740000      148000.00      18.281     -42.945     -24.664   3.18 0.429 0.600 0.364 1.961     165.858     280.000       6.196   32 
-    750000      150000.00      32.132     -46.571     -14.438   3.92 0.214 0.769 0.322 2.940     291.521     280.000       6.905   32 
-    760000      152000.00      26.996     -47.648     -20.652   2.28 0.429 0.625 0.310 1.929     244.918     280.000       6.350   32 
-    770000      154000.00      24.097     -48.560     -24.463   2.64 0.357 0.615 0.259 1.378     218.622     280.000       6.895   32 
-    780000      156000.00      28.024     -42.848     -14.825   1.62 0.500 0.588 0.329 1.985     254.246     280.000       6.779   32 
-    790000      158000.00      24.082     -58.415     -34.333   3.43 0.357 0.706 0.278 2.281     218.487     280.000       6.912   32 
-    800000      160000.00      24.778     -43.350     -18.572   6.07 0.357 0.545 0.202 1.293     224.799     280.000       7.465   32 
-    810000      162000.00      29.536     -56.210     -26.674   6.56 0.357 0.667 0.212 1.264     267.967     270.000       7.246   32 
-    820000      164000.00      31.095     -56.341     -25.246   2.13 0.357 0.545 0.194 1.152     282.106     270.000       6.813   32 
-    830000      166000.00      34.037     -48.873     -14.837   6.86 0.429 0.700 0.255 2.252     308.798     270.000       6.615   32 
-    840000      168000.00      22.864     -41.001     -18.137   5.72 0.286 0.556 0.278 1.390     207.434     270.000       6.889   32 
-    850000      170000.00      23.368     -52.743     -29.375   4.95 0.286 0.692 0.262 1.401     212.009     270.000       6.982   32 
-    860000      172000.00      29.645     -54.165     -24.519   5.23 0.286 0.733 0.355 1.473     268.958     270.000       6.550   32 
-    870000      174000.00      31.943     -53.414     -21.471   6.17 0.143 0.818 0.260 1.055     289.803     270.000       6.663   32 
-    880000      176000.00      21.716     -47.273     -25.557   4.82 0.286 0.667 0.273 1.160     197.017     270.000       7.696   32 
-    890000      178000.00      26.370     -57.535     -31.166   4.49 0.429 0.538 0.245 0.788     239.238     270.000       7.229   32 
-    900000      180000.00      29.721     -50.035     -20.314   6.14 0.214 0.800 0.276 1.314     269.643     270.000       6.523   32 
-    910000      182000.00      31.167     -52.214     -21.048   4.69 0.429 0.500 0.269 1.418     282.759     270.000       7.159   32 
-    920000      184000.00      21.467     -51.005     -29.537   4.72 0.286 0.692 0.325 0.827     194.763     270.000       6.863   32 
-    930000      186000.00      29.580     -39.941     -10.361   4.76 0.071 0.857 0.383 2.264     268.365     270.000       6.602   32 
-    940000      188000.00      24.286     -55.917     -31.632   6.36 0.286 0.692 0.245 0.462     220.331     270.000       7.032   32 
-    950000      190000.00      33.380     -41.597      -8.217   5.10 0.286 0.556 0.182 1.883     302.838     270.000       7.110   32 
-    960000      192000.00      31.207     -52.223     -21.016   5.88 0.286 0.765 0.318 2.209     283.127     270.000       6.277   32 
-    970000      194000.00      30.047     -53.719     -23.672   4.66 0.429 0.571 0.312 1.363     272.602     270.000       6.711   32 
-    980000      196000.00      21.194     -47.365     -26.171   4.86 0.286 0.636 0.223 1.643     192.281     270.000       7.698   32 
-    990000      198000.00      18.281     -55.376     -37.095   1.94 0.429 0.571 0.266 1.370     165.855     270.000       6.592   32 
-   1000000      200000.00      28.761     -52.530     -23.769   1.80 0.500 0.611 0.268 2.273     260.936     270.000       6.492   32 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB033.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB033.stat
deleted file mode 100644
index c5efeb8..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB033.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      32.308      21.053      53.360  12.87 0.000   NaN   NaN 0.933     293.111     330.000      15.552   33 
-     10000        2000.00      34.633     -25.739       8.895   5.88 0.071 0.800 0.382 1.810     314.209     330.000       9.857   33 
-     20000        4000.00      31.548      -9.720      21.828   6.40 0.000 1.000 0.364 1.389     286.215     330.000       8.339   33 
-     30000        6000.00      38.395      -9.720      28.675   5.07 0.071 0.750 0.511 2.531     348.342     330.000       8.997   33 
-     40000        8000.00      33.469     -15.169      18.300   4.83 0.214 0.625 0.227 2.642     303.651     330.000       8.046   33 
-     50000       10000.00      33.652     -16.016      17.635   6.21 0.071 0.833 0.545 2.195     305.304     330.000       8.508   33 
-     60000       12000.00      29.070     -15.085      13.984   6.30 0.000 1.000 0.394 1.205     263.736     330.000       7.587   33 
-     70000       14000.00      28.541     -16.424      12.118   5.70 0.143 0.600 0.209 2.479     258.942     330.000       8.600   33 
-     80000       16000.00      36.144     -28.671       7.474   4.37 0.000 1.000 0.375 2.545     327.918     330.000       7.423   33 
-     90000       18000.00      29.879     -30.040      -0.161   4.05 0.214 0.500 0.432 3.599     271.082     330.000       7.896   33 
-    100000       20000.00      34.367     -20.145      14.222   6.41 0.143 0.500 0.273 1.778     311.795     330.000       9.628   33 
-    110000       22000.00      37.601     -33.571       4.030   4.79 0.143 0.750 0.392 0.969     341.133     320.000       7.054   33 
-    120000       24000.00      39.138     -22.743      16.395   5.09 0.143 0.857 0.373 1.174     355.084     320.000       7.121   33 
-    130000       26000.00      30.167      -5.429      24.737   5.86 0.071 0.667 0.182 1.889     273.688     320.000       8.488   33 
-    140000       28000.00      33.407     -27.107       6.301   5.11 0.286 0.429 0.286 1.631     303.087     320.000       7.502   33 
-    150000       30000.00      31.790     -26.844       4.946   5.08 0.143 0.667 0.356 2.125     288.416     320.000       7.871   33 
-    160000       32000.00      39.380     -27.573      11.807   5.55 0.143 0.800 0.414 2.261     357.279     320.000       6.916   33 
-    170000       34000.00      27.607     -31.302      -3.696   5.65 0.286 0.600 0.323 2.253     250.462     320.000       6.874   33 
-    180000       36000.00      26.928     -31.112      -4.185   7.12 0.357 0.583 0.201 1.299     244.301     320.000       8.250   33 
-    190000       38000.00      24.373     -27.571      -3.198   4.89 0.071 0.800 0.245 1.856     221.126     320.000       8.466   33 
-    200000       40000.00      39.296     -19.536      19.760   4.06 0.071 0.857 0.429 2.448     356.509     320.000       7.500   33 
-    210000       42000.00      40.098       0.008      40.106   4.63 0.143 0.600 0.164 1.037     363.788     360.000       8.458   33 
-    220000       44000.00      35.598     -19.194      16.404   7.37 0.286 0.429 0.175 1.455     322.965     360.000      10.957   33 
-    230000       46000.00      35.225      -8.244      26.981   5.65 0.071 0.667 0.318 1.068     319.579     360.000       8.965   33 
-    240000       48000.00      40.947      -8.637      32.310   6.74 0.071 0.500 0.205 2.142     371.495     360.000      10.000   33 
-    250000       50000.00      41.369      -2.092      39.277   8.61 0.000   NaN   NaN 1.866     375.323     360.000      12.684   33 
-    260000       52000.00      29.854      -5.028      24.826   7.05 0.071 0.800 0.155 2.032     270.853     360.000      10.375   33 
-    270000       54000.00      36.170      -5.679      30.491   4.66 0.071 0.000 0.182 1.893     328.153     360.000       9.214   33 
-    280000       56000.00      32.506     -16.199      16.307   6.09 0.000 1.000 0.379 1.766     294.911     360.000       8.758   33 
-    290000       58000.00      37.344     -16.829      20.515   8.52 0.071 0.000 0.136 1.277     338.802     360.000      13.176   33 
-    300000       60000.00      33.136      -1.839      31.297   4.58 0.071 0.667 0.379 3.751     300.625     360.000       7.664   33 
-    310000       62000.00      38.010      -6.869      31.140   6.24 0.143 0.600 0.482 3.555     344.842     360.000       8.064   33 
-    320000       64000.00      34.760     -15.202      19.558   4.88 0.214 0.500 0.303 1.173     315.363     360.000       7.548   33 
-    330000       66000.00      39.252     -27.480      11.772   5.18 0.071 0.800 0.373 1.979     356.111     360.000       8.197   33 
-    340000       68000.00      40.539     -23.027      17.513   6.39 0.214 0.400 0.164 1.310     367.793     360.000       7.770   33 
-    350000       70000.00      39.029     -18.310      20.719   4.37 0.000 1.000 0.396 2.006     354.095     360.000       7.952   33 
-    360000       72000.00      36.677     -10.658      26.019   8.65 0.000 1.000 0.227 2.087     332.757     360.000      11.843   33 
-    370000       74000.00      29.354     -18.493      10.860   5.31 0.071 0.667 0.242 2.975     266.313     360.000       9.510   33 
-    380000       76000.00      43.334      -3.195      40.139   7.38 0.000 1.000 0.273 1.521     393.149     360.000      11.832   33 
-    390000       78000.00      39.080      -7.346      31.734   6.03 0.071 0.750 0.205 2.288     354.554     360.000       9.377   33 
-    400000       80000.00      33.640     -17.413      16.227   6.82 0.071 0.667 0.348 1.442     305.196     360.000       8.821   33 
-    410000       82000.00      36.504      -5.901      30.603   4.74 0.071 0.500 0.386 2.125     331.179     350.000       7.942   33 
-    420000       84000.00      31.008     -18.337      12.671   5.98 0.143 0.714 0.390 2.134     281.325     350.000       7.108   33 
-    430000       86000.00      36.652     -17.836      18.817   5.83 0.071 0.875 0.358 1.704     332.529     350.000       7.581   33 
-    440000       88000.00      38.192     -13.184      25.007   6.31 0.000 1.000 0.333 1.584     346.494     350.000       8.774   33 
-    450000       90000.00      33.422     -13.107      20.315   4.35 0.000 1.000 0.403 2.024     303.225     350.000       8.152   33 
-    460000       92000.00      31.070       5.527      36.597   4.81 0.071 0.667 0.409 1.169     281.883     350.000       9.455   33 
-    470000       94000.00      35.408     -20.222      15.186   5.20 0.071 0.833 0.417 3.132     321.239     350.000       7.205   33 
-    480000       96000.00      40.312      -6.757      33.556   6.85 0.000 1.000 0.327 1.988     365.735     350.000       7.870   33 
-    490000       98000.00      33.361     -18.570      14.791   5.87 0.143 0.750 0.415 0.968     302.667     350.000       7.401   33 
-    500000      100000.00      33.462     -25.982       7.481   5.75 0.143 0.750 0.312 1.048     303.589     350.000       8.086   33 
-    510000      102000.00      31.875     -22.399       9.475   6.13 0.143 0.750 0.358 0.977     289.183     350.000       8.752   33 
-    520000      104000.00      23.473     -26.587      -3.114   4.80 0.143 0.778 0.348 1.268     212.957     350.000       7.771   33 
-    530000      106000.00      39.084      -1.500      37.584   4.61 0.143 0.500 0.227 1.918     354.593     350.000       8.904   33 
-    540000      108000.00      39.949       1.857      41.806   6.46 0.000   NaN   NaN 2.880     362.434     350.000      10.722   33 
-    550000      110000.00      34.109     -26.751       7.358   6.02 0.071 0.833 0.455 2.524     309.452     350.000       7.906   33 
-    560000      112000.00      39.043     -16.554      22.489   4.96 0.214 0.750 0.409 2.002     354.219     350.000       7.432   33 
-    570000      114000.00      43.022     -17.817      25.205   4.79 0.071 0.750 0.273 1.704     390.318     350.000       7.610   33 
-    580000      116000.00      28.527      -6.796      21.732   5.68 0.071 0.857 0.260 1.214     258.815     350.000       8.069   33 
-    590000      118000.00      36.639     -12.375      24.265   5.96 0.000 1.000 0.371 1.130     332.412     350.000       7.312   33 
-    600000      120000.00      29.837      -5.322      24.514   5.00 0.000 1.000 0.682 1.950     270.692     350.000       9.095   33 
-    610000      122000.00      34.837      -1.589      33.248   7.04 0.000 1.000 0.318 2.510     316.059     350.000      10.317   33 
-    620000      124000.00      31.339      -4.455      26.885   6.17 0.071 0.000 0.227 1.874     284.327     350.000      10.122   33 
-    630000      126000.00      38.034      -7.964      30.070   9.40 0.143 0.333 0.182 1.321     345.066     350.000      12.572   33 
-    640000      128000.00      31.495     -22.043       9.452   6.42 0.000 1.000 0.312 1.779     285.737     350.000       9.017   33 
-    650000      130000.00      24.877      -7.335      17.542   7.07 0.071 0.000 0.136 4.328     225.696     350.000      11.537   33 
-    660000      132000.00      31.559     -11.894      19.665   7.16 0.000 1.000 0.303 1.978     286.319     350.000       7.621   33 
-    670000      134000.00      28.523      -1.531      26.993   3.49 0.071 0.833 0.242 2.284     258.778     350.000       8.193   33 
-    680000      136000.00      34.175     -29.739       4.436   6.57 0.071 0.900 0.373 3.254     310.054     350.000       7.173   33 
-    690000      138000.00      39.972     -24.750      15.222   5.40 0.071 0.889 0.323 1.944     362.651     350.000       7.252   33 
-    700000      140000.00      41.469      -9.247      32.222   5.90 0.000 1.000 0.295 1.436     376.232     350.000       8.173   33 
-    710000      142000.00      37.522     -19.559      17.963   4.72 0.143 0.500 0.239 1.287     340.417     380.000       8.423   33 
-    720000      144000.00      37.603       7.897      45.500   7.98 0.000 1.000 0.205 1.556     341.154     380.000      10.621   33 
-    730000      146000.00      35.832      -1.166      34.666   6.01 0.071 0.500 0.386 0.980     325.090     380.000       8.372   33 
-    740000      148000.00      35.889      -2.791      33.098   4.36 0.071 0.750 0.500 2.466     325.605     380.000       7.534   33 
-    750000      150000.00      38.539     -14.312      24.227   7.20 0.143 0.333 0.136 2.334     349.643     380.000      10.437   33 
-    760000      152000.00      36.916       8.035      44.950   5.57 0.000 1.000 0.159 1.783     334.917     380.000       9.431   33 
-    770000      154000.00      34.036     -12.218      21.818   5.01 0.000 1.000 0.136 2.530     308.790     380.000       8.559   33 
-    780000      156000.00      33.249      -8.266      24.983   4.84 0.071 0.750 0.205 1.450     301.653     380.000       8.996   33 
-    790000      158000.00      38.055      -5.484      32.571   5.28 0.214 0.667 0.308 2.572     345.256     380.000       7.670   33 
-    800000      160000.00      33.030      -8.854      24.176   6.03 0.071 0.889 0.470 1.678     299.664     380.000       6.975   33 
-    810000      162000.00      34.329      -9.805      24.524   5.17 0.143 0.600 0.209 1.939     311.451     370.000       8.451   33 
-    820000      164000.00      33.185      11.493      44.677   4.76 0.071 0.500 0.159 1.731     301.067     370.000       9.833   33 
-    830000      166000.00      33.011       4.984      37.995  10.02 0.000   NaN   NaN 2.395     299.494     370.000      13.497   33 
-    840000      168000.00      38.294     -11.992      26.302   4.66 0.214 0.571 0.435 1.015     347.419     370.000       7.460   33 
-    850000      170000.00      40.548      -3.139      37.409   5.77 0.143 0.667 0.189 2.119     367.877     370.000       7.587   33 
-    860000      172000.00      45.229     -20.040      25.188   5.14 0.071 0.800 0.373 1.030     410.338     370.000       8.886   33 
-    870000      174000.00      38.135      -3.935      34.201   7.62 0.143 0.500 0.250 2.684     345.983     370.000      11.011   33 
-    880000      176000.00      30.437      -5.310      25.128   5.36 0.071 0.500 0.409 1.388     276.142     370.000       7.799   33 
-    890000      178000.00      35.060      -3.746      31.313   5.63 0.000 1.000 0.727 1.880     318.079     370.000       8.843   33 
-    900000      180000.00      32.346     -14.259      18.087   5.18 0.143 0.500 0.182 1.187     293.459     370.000       8.288   33 
-    910000      182000.00      40.862      -4.666      36.196   5.58 0.071 0.000 0.136 0.998     370.720     370.000       9.079   33 
-    920000      184000.00      32.716      -6.630      26.086   4.74 0.000 1.000 0.258 1.446     296.814     370.000       7.980   33 
-    930000      186000.00      28.972     -13.582      15.391   4.17 0.071 0.750 0.432 5.403     262.852     370.000       8.141   33 
-    940000      188000.00      49.805      -7.240      42.565   6.04 0.000 1.000 0.182 2.954     451.853     370.000       8.821   33 
-    950000      190000.00      32.037     -13.960      18.077   6.33 0.071 0.500 0.386 2.009     290.653     370.000      10.146   33 
-    960000      192000.00      41.568     -19.998      21.570   7.40 0.143 0.800 0.350 1.493     377.127     370.000       6.779   33 
-    970000      194000.00      39.921     -17.125      22.796   5.40 0.071 0.750 0.455 2.485     362.185     370.000       8.666   33 
-    980000      196000.00      29.351     -16.001      13.349   4.31 0.071 0.909 0.384 3.125     266.286     370.000       6.738   33 
-    990000      198000.00      31.403      -1.319      30.084   6.90 0.143 0.667 0.265 1.520     284.907     370.000       8.462   33 
-   1000000      200000.00      38.581      -1.529      37.052   4.59 0.000 1.000 0.500 1.692     350.027     370.000       7.991   33 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB034.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB034.stat
deleted file mode 100644
index 82a5fd3..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB034.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      46.706      21.053      67.759  12.87 0.000   NaN   NaN 0.933     423.740     330.000      15.552   34 
-     10000        2000.00      30.178     -32.107      -1.928   3.30 0.357 0.444 0.232 1.339     273.792     330.000       7.701   34 
-     20000        4000.00      29.032     -22.912       6.120   4.61 0.286 0.500 0.227 2.446     263.393     330.000       7.739   34 
-     30000        6000.00      26.067     -32.971      -6.904   5.01 0.357 0.444 0.364 1.612     236.492     330.000       7.275   34 
-     40000        8000.00      40.436     -19.973      20.463   5.57 0.143 0.750 0.301 1.198     366.858     330.000       7.464   34 
-     50000       10000.00      30.339     -11.457      18.881  10.62 0.071 0.000 0.136 1.305     275.248     330.000      14.545   34 
-     60000       12000.00      35.908     -18.318      17.589   5.39 0.357 0.545 0.417 2.351     325.773     330.000       7.642   34 
-     70000       14000.00      32.338     -32.231       0.107   5.81 0.000 1.000 0.568 0.515     293.389     330.000       9.033   34 
-     80000       16000.00      39.575     -19.509      20.066   6.12 0.071 0.667 0.333 1.540     359.042     330.000       8.651   34 
-     90000       18000.00      25.826     -22.952       2.874   5.77 0.143 0.833 0.432 1.569     234.304     330.000       6.904   34 
-    100000       20000.00      30.687     -14.774      15.913   5.05 0.143 0.667 0.295 2.154     278.408     330.000       7.797   34 
-    110000       22000.00      26.829     -22.320       4.509   4.54 0.143 0.750 0.318 2.004     243.407     330.000       7.239   34 
-    120000       24000.00      33.875     -25.420       8.455   4.71 0.143 0.667 0.424 0.746     307.335     330.000       8.152   34 
-    130000       26000.00      35.845     -33.789       2.056   5.59 0.214 0.667 0.197 0.656     325.201     330.000       7.008   34 
-    140000       28000.00      34.848     -15.104      19.744   6.45 0.143 0.714 0.331 1.444     316.161     330.000       7.257   34 
-    150000       30000.00      28.103     -17.180      10.924   6.81 0.071 0.857 0.312 2.309     254.969     330.000       9.178   34 
-    160000       32000.00      33.647     -17.955      15.693   6.23 0.143 0.600 0.191 1.569     305.265     330.000       8.116   34 
-    170000       34000.00      28.439     -22.763       5.676   6.78 0.000 1.000 0.477 1.159     258.012     330.000       7.542   34 
-    180000       36000.00      35.350     -25.979       9.372   6.85 0.000 1.000 0.291 1.704     320.717     330.000       7.259   34 
-    190000       38000.00      35.130     -31.489       3.641   7.28 0.143 0.714 0.227 1.397     318.714     330.000       7.294   34 
-    200000       40000.00      29.042     -15.706      13.336   5.74 0.143 0.714 0.208 1.093     263.488     330.000       8.654   34 
-    210000       42000.00      46.449       6.085      52.533  10.03 0.000   NaN   NaN 1.940     421.406     390.000      14.163   34 
-    220000       44000.00      37.352      -0.884      36.468   5.65 0.000 1.000 0.295 3.580     338.874     390.000       9.127   34 
-    230000       46000.00      38.629      10.787      49.415   6.52 0.071 0.000 0.591 1.513     350.460     390.000       9.981   34 
-    240000       48000.00      31.402      -6.484      24.918  10.27 0.000   NaN   NaN 1.402     284.896     390.000      14.944   34 
-    250000       50000.00      39.726      -4.184      35.542   4.93 0.071 0.800 0.464 2.771     360.412     390.000       8.146   34 
-    260000       52000.00      32.812      -0.778      32.034   5.72 0.071 0.667 0.288 2.212     297.689     390.000       9.356   34 
-    270000       54000.00      32.346     -13.413      18.933   5.79 0.071 0.000 0.182 2.998     293.461     390.000       9.018   34 
-    280000       56000.00      37.699      -1.439      36.261   6.96 0.071 0.750 0.205 1.845     342.029     390.000       9.625   34 
-    290000       58000.00      37.853      -6.532      31.321  11.23 0.071 0.500 0.136 2.440     343.423     390.000      14.202   34 
-    300000       60000.00      43.048     -15.169      27.879   6.53 0.071 0.833 0.447 1.354     390.553     390.000       7.901   34 
-    310000       62000.00      28.079     -16.159      11.920   6.54 0.071 0.800 0.455 1.144     254.744     390.000       7.422   34 
-    320000       64000.00      45.466       1.460      46.926   5.78 0.000 1.000 0.591 2.255     412.495     390.000       8.514   34 
-    330000       66000.00      36.371     -13.318      23.053   5.73 0.071 0.000 0.182 2.183     329.978     390.000       9.409   34 
-    340000       68000.00      46.046      -0.684      45.362   5.31 0.000 1.000 0.245 1.910     417.754     390.000       7.833   34 
-    350000       70000.00      29.413      -0.442      28.971  10.61 0.000 1.000 0.182 1.629     266.853     390.000      13.979   34 
-    360000       72000.00      38.267      -7.886      30.381   5.77 0.000 1.000 0.136 1.420     347.177     390.000      10.826   34 
-    370000       74000.00      41.258      -1.988      39.270   6.38 0.071 0.000 0.136 2.069     374.317     390.000      10.905   34 
-    380000       76000.00      36.769      -4.682      32.087   4.08 0.071 0.800 0.355 1.540     333.585     390.000       8.675   34 
-    390000       78000.00      40.224     -21.749      18.475   5.81 0.214 0.625 0.222 1.259     364.936     390.000       7.415   34 
-    400000       80000.00      33.687       3.026      36.713   6.60 0.143 0.000 0.136 2.034     305.624     390.000      11.610   34 
-    410000       82000.00      33.419      -9.424      23.995   5.83 0.000 1.000 0.318 1.215     303.190     380.000       8.771   34 
-    420000       84000.00      39.458      -9.882      29.576   4.99 0.143 0.600 0.200 2.354     357.982     380.000       8.842   34 
-    430000       86000.00      35.507      -9.068      26.439   6.53 0.000   NaN   NaN 0.970     322.141     380.000      11.697   34 
-    440000       88000.00      38.557       0.026      38.583   4.73 0.143 0.600 0.300 2.132     349.809     380.000       8.250   34 
-    450000       90000.00      38.303      -6.334      31.969   5.29 0.071 0.667 0.242 2.166     347.508     380.000       8.428   34 
-    460000       92000.00      49.250     -11.859      37.390  11.49 0.071 0.667 0.182 1.209     446.818     380.000      14.630   34 
-    470000       94000.00      40.959      -9.852      31.106   5.02 0.000 1.000 0.409 3.390     371.598     380.000       8.947   34 
-    480000       96000.00      35.082      -3.376      31.706   6.57 0.000 1.000 0.218 2.398     318.282     380.000      10.053   34 
-    490000       98000.00      41.780     -19.755      22.026   6.67 0.143 0.750 0.443 1.638     379.053     380.000       7.474   34 
-    500000      100000.00      43.855      -1.509      42.346   8.72 0.071 0.750 0.227 1.153     397.880     380.000      12.674   34 
-    510000      102000.00      42.007       6.509      48.516  10.83 0.000   NaN   NaN 5.186     381.108     380.000      14.260   34 
-    520000      104000.00      31.753     -14.834      16.919   4.64 0.286 0.200 0.173 1.993     288.083     380.000       8.733   34 
-    530000      106000.00      33.711     -12.498      21.213   5.99 0.143 0.778 0.399 2.594     305.847     380.000       7.519   34 
-    540000      108000.00      45.112      -8.103      37.009   5.57 0.000 1.000 0.261 3.404     409.275     380.000       8.163   34 
-    550000      110000.00      38.892     -20.445      18.447   4.85 0.143 0.000 0.341 1.366     352.851     380.000       9.076   34 
-    560000      112000.00      41.123     -11.067      30.056   5.16 0.071 0.750 0.455 1.001     373.088     380.000       8.439   34 
-    570000      114000.00      36.483       0.915      37.398   5.28 0.071 0.500 0.409 4.684     330.995     380.000       8.174   34 
-    580000      116000.00      36.908      -9.849      27.059   4.12 0.143 0.500 0.341 1.935     334.850     380.000       8.323   34 
-    590000      118000.00      39.465      -7.226      32.239   9.68 0.000   NaN   NaN 2.029     358.051     380.000      14.299   34 
-    600000      120000.00      31.514      -8.165      23.349   5.21 0.000 1.000 0.727 1.479     285.910     380.000       8.419   34 
-    610000      122000.00      30.693      -4.368      26.325   5.81 0.000 1.000 0.576 2.317     278.459     380.000       8.438   34 
-    620000      124000.00      36.903      -2.675      34.228   6.92 0.000 1.000 0.303 1.837     334.805     380.000       9.536   34 
-    630000      126000.00      39.017       6.434      45.451   4.80 0.000   NaN   NaN 2.858     353.979     380.000       9.585   34 
-    640000      128000.00      36.129      -1.379      34.750   5.58 0.143 0.778 0.313 1.699     327.782     380.000       7.139   34 
-    650000      130000.00      42.541     -13.981      28.560   5.66 0.071 0.833 0.439 1.775     385.958     380.000       7.374   34 
-    660000      132000.00      38.304     -17.878      20.425   6.12 0.071 0.889 0.369 3.045     347.510     380.000       8.045   34 
-    670000      134000.00      34.466      10.986      45.452   7.16 0.071 0.000 0.136 5.648     312.693     380.000      12.195   34 
-    680000      136000.00      40.143      13.008      53.151   7.83 0.000 1.000 0.182 4.576     364.198     380.000      11.693   34 
-    690000      138000.00      51.717       5.429      57.146   5.45 0.000 1.000 0.136 1.997     469.203     380.000      10.023   34 
-    700000      140000.00      31.125       4.458      35.584   6.26 0.000 1.000 0.375 3.447     282.384     380.000       7.563   34 
-    710000      142000.00      34.866       7.862      42.728   7.39 0.000   NaN   NaN 3.541     316.321     390.000      10.690   34 
-    720000      144000.00      37.012      -0.449      36.563   6.26 0.000 1.000 0.591 1.334     335.796     390.000       7.974   34 
-    730000      146000.00      37.696      -9.239      28.457   6.04 0.000 1.000 0.443 1.641     341.996     390.000       8.829   34 
-    740000      148000.00      36.160      10.538      46.699  12.35 0.000   NaN   NaN 2.272     328.065     390.000      15.721   34 
-    750000      150000.00      36.689      -8.930      27.759   9.95 0.071 0.000 0.136 2.058     332.864     390.000      13.840   34 
-    760000      152000.00      43.261     -11.290      31.972   6.12 0.000 1.000 0.636 2.057     392.487     390.000       8.530   34 
-    770000      154000.00      36.598       0.496      37.093   5.82 0.214 0.250 0.148 2.004     332.032     390.000       9.904   34 
-    780000      156000.00      40.380     -12.028      28.352   7.25 0.214 0.250 0.216 1.968     366.350     390.000       8.489   34 
-    790000      158000.00      39.866       8.686      48.553  10.43 0.071 0.000 0.136 4.447     361.689     390.000      14.232   34 
-    800000      160000.00      39.628       4.071      43.700   5.94 0.000 1.000 0.750 1.670     359.529     390.000       7.697   34 
-    810000      162000.00      31.779      -2.778      29.001   7.63 0.143 0.500 0.170 1.969     288.311     370.000      11.526   34 
-    820000      164000.00      36.021     -13.885      22.136   5.84 0.071 0.833 0.326 3.105     326.800     370.000       7.644   34 
-    830000      166000.00      30.160      -1.871      28.289   5.08 0.000 1.000 0.500 2.204     273.626     370.000       7.448   34 
-    840000      168000.00      37.475      -8.225      29.250   6.37 0.214 0.750 0.352 1.109     339.992     370.000       7.530   34 
-    850000      170000.00      33.819      -0.946      32.873   5.45 0.000 1.000 0.555 2.772     306.822     370.000       8.702   34 
-    860000      172000.00      34.778     -18.199      16.579   6.03 0.071 0.750 0.466 2.469     315.523     370.000       8.959   34 
-    870000      174000.00      40.614     -18.520      22.095   5.81 0.143 0.667 0.371 3.196     368.472     370.000       7.644   34 
-    880000      176000.00      37.630      -5.800      31.831   6.14 0.143 0.667 0.182 1.813     341.402     370.000       9.091   34 
-    890000      178000.00      37.399      -8.760      28.639   7.22 0.071 0.875 0.301 1.187     339.301     370.000       8.198   34 
-    900000      180000.00      40.797      -1.186      39.610   7.43 0.000 1.000 0.216 1.704     370.128     370.000       9.765   34 
-    910000      182000.00      34.892      -4.177      30.715   8.04 0.071 0.667 0.227 1.914     316.559     370.000      11.235   34 
-    920000      184000.00      31.603       3.651      35.253   8.35 0.000 1.000 0.136 2.038     286.715     370.000      12.539   34 
-    930000      186000.00      49.781     -23.308      26.472   5.06 0.214 0.700 0.300 3.816     451.635     370.000       7.682   34 
-    940000      188000.00      34.671       4.946      39.617   5.48 0.143 0.750 0.347 1.405     314.551     370.000       8.729   34 
-    950000      190000.00      36.626     -21.426      15.200   6.59 0.143 0.800 0.355 2.227     332.290     370.000       7.836   34 
-    960000      192000.00      30.536      -3.618      26.917   7.18 0.071 0.750 0.273 1.769     277.034     370.000       8.588   34 
-    970000      194000.00      31.926      -5.775      26.151   7.62 0.143 0.600 0.291 2.506     289.646     370.000      10.788   34 
-    980000      196000.00      29.316       4.477      33.793   6.01 0.000 1.000 0.409 2.468     265.966     370.000       9.661   34 
-    990000      198000.00      40.295     -14.455      25.840   5.04 0.143 0.667 0.295 1.393     365.573     370.000       7.810   34 
-   1000000      200000.00      40.360       1.533      41.893   5.09 0.000 1.000 0.348 2.024     366.165     370.000       8.604   34 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB035.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB035.stat
deleted file mode 100644
index 45c5d62..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB035.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      34.705      21.053      55.758  12.87 0.000   NaN   NaN 0.933     314.866     330.000      15.552   35 
-     10000        2000.00      42.557     -19.788      22.769   4.91 0.071 0.833 0.318 3.085     386.099     330.000       8.015   35 
-     20000        4000.00      29.407     -22.356       7.051   5.97 0.143 0.714 0.195 2.237     266.794     330.000       7.145   35 
-     30000        6000.00      27.660     -34.134      -6.474   4.95 0.357 0.545 0.244 1.810     250.943     330.000       7.089   35 
-     40000        8000.00      38.534     -35.820       2.714   4.80 0.214 0.625 0.239 2.171     349.600     330.000       7.998   35 
-     50000       10000.00      27.891     -21.625       6.266   6.40 0.071 0.889 0.247 2.539     253.039     330.000       7.549   35 
-     60000       12000.00      37.484     -14.227      23.257   6.41 0.071 0.857 0.312 2.142     340.075     330.000       8.444   35 
-     70000       14000.00      36.082     -28.012       8.069   7.12 0.214 0.400 0.182 1.359     327.352     330.000       8.703   35 
-     80000       16000.00      34.593     -11.726      22.867   6.89 0.071 0.000 0.136 1.560     313.845     330.000       9.816   35 
-     90000       18000.00      27.937     -19.699       8.238   3.84 0.143 0.333 0.182 3.763     253.459     330.000       8.677   35 
-    100000       20000.00      33.448     -24.320       9.129   4.28 0.143 0.800 0.382 1.093     303.462     330.000       7.485   35 
-    110000       22000.00      32.522     -33.397      -0.875   5.03 0.071 0.800 0.564 2.225     295.059     330.000       7.056   35 
-    120000       24000.00      25.194     -16.008       9.186   4.02 0.214 0.571 0.292 1.773     228.570     330.000       7.728   35 
-    130000       26000.00      33.948     -34.533      -0.586   4.56 0.286 0.692 0.381 1.428     307.991     330.000       6.914   35 
-    140000       28000.00      27.574     -12.824      14.750   4.48 0.143 0.667 0.364 1.134     250.166     330.000       8.347   35 
-    150000       30000.00      35.208     -25.859       9.349   5.59 0.143 0.778 0.303 1.403     319.422     330.000       7.229   35 
-    160000       32000.00      33.571      -7.278      26.293   4.89 0.071 0.875 0.341 2.966     304.574     330.000       7.479   35 
-    170000       34000.00      31.807     -18.641      13.166   3.57 0.143 0.500 0.216 1.859     288.573     330.000       8.335   35 
-    180000       36000.00      25.435     -22.536       2.899   4.71 0.143 0.600 0.500 0.938     230.760     330.000       8.470   35 
-    190000       38000.00      30.385     -19.862      10.523   4.89 0.071 0.800 0.491 2.600     275.669     330.000       7.551   35 
-    200000       40000.00      37.479     -22.130      15.349   4.52 0.143 0.667 0.462 1.929     340.028     330.000       7.895   35 
-    210000       42000.00      35.658     -26.048       9.610   4.39 0.071 0.857 0.390 1.104     323.507     340.000       7.862   35 
-    220000       44000.00      30.516     -22.660       7.856   7.01 0.071 0.889 0.429 1.078     276.856     340.000       7.475   35 
-    230000       46000.00      30.601     -17.021      13.579   6.48 0.143 0.600 0.345 2.883     277.625     340.000       7.827   35 
-    240000       48000.00      30.146       3.738      33.884   6.48 0.000 1.000 0.273 3.071     273.503     340.000       8.579   35 
-    250000       50000.00      32.636     -15.537      17.099   4.78 0.071 0.750 0.205 2.123     296.090     340.000       9.525   35 
-    260000       52000.00      30.513      -9.539      20.973   7.35 0.143 0.667 0.303 2.718     276.827     340.000       7.914   35 
-    270000       54000.00      41.086      -8.661      32.425   5.51 0.071 0.833 0.455 1.739     372.749     340.000       7.268   35 
-    280000       56000.00      35.006     -14.456      20.550   5.51 0.071 0.667 0.621 1.306     317.597     340.000       9.294   35 
-    290000       58000.00      32.903     -21.086      11.818   5.67 0.071 0.667 0.379 1.347     298.516     340.000       8.940   35 
-    300000       60000.00      37.061     -27.027      10.034   3.88 0.071 0.889 0.288 3.412     336.232     340.000       7.640   35 
-    310000       62000.00      32.623     -38.727      -6.104   4.00 0.214 0.727 0.368 2.459     295.974     320.000       6.522   35 
-    320000       64000.00      29.137     -21.232       7.906   5.33 0.357 0.615 0.367 1.947     264.350     320.000       7.583   35 
-    330000       66000.00      25.465     -34.149      -8.683   4.16 0.357 0.545 0.302 1.103     231.035     320.000       7.205   35 
-    340000       68000.00      31.619     -38.293      -6.674   5.12 0.214 0.625 0.403 1.610     286.860     320.000       7.442   35 
-    350000       70000.00      20.561     -30.840     -10.280   5.27 0.286 0.692 0.395 1.505     186.538     320.000       7.291   35 
-    360000       72000.00      23.675     -33.019      -9.344   4.47 0.357 0.545 0.198 1.304     214.789     320.000       6.972   35 
-    370000       74000.00      33.886     -18.329      15.557   6.32 0.071 0.833 0.242 1.979     307.431     320.000       7.688   35 
-    380000       76000.00      24.336     -29.099      -4.763   6.13 0.214 0.625 0.330 2.188     220.787     320.000       6.954   35 
-    390000       78000.00      38.525     -33.295       5.230   5.04 0.357 0.545 0.252 1.850     349.520     320.000       6.805   35 
-    400000       80000.00      31.854     -26.091       5.763   6.00 0.143 0.778 0.293 1.559     288.997     320.000       7.511   35 
-    410000       82000.00      34.778     -27.435       7.343   5.54 0.286 0.600 0.291 1.703     315.522     330.000       7.479   35 
-    420000       84000.00      30.936     -33.407      -2.471   4.09 0.214 0.667 0.333 1.155     280.668     330.000       7.299   35 
-    430000       86000.00      29.429     -16.087      13.343   5.40 0.214 0.750 0.258 2.387     266.997     330.000       6.876   35 
-    440000       88000.00      32.376     -28.235       4.141   5.31 0.214 0.625 0.199 2.819     293.735     330.000       8.305   35 
-    450000       90000.00      31.813     -15.011      16.803   5.97 0.214 0.667 0.333 2.823     288.626     330.000       9.016   35 
-    460000       92000.00      28.928     -30.136      -1.208   4.59 0.214 0.786 0.367 2.319     262.453     330.000       6.993   35 
-    470000       94000.00      24.924     -18.909       6.015   6.16 0.071 0.800 0.182 1.882     226.126     330.000       7.476   35 
-    480000       96000.00      27.322     -13.774      13.548   5.27 0.071 0.750 0.511 1.478     247.878     330.000       7.273   35 
-    490000       98000.00      32.593     -19.213      13.381   5.14 0.071 0.500 0.136 2.930     295.704     330.000       8.713   35 
-    500000      100000.00      29.639     -27.317       2.322   6.22 0.071 0.800 0.364 2.478     268.905     330.000       7.580   35 
-    510000      102000.00      28.533     -13.227      15.306   5.29 0.214 0.500 0.197 2.198     258.866     330.000       8.644   35 
-    520000      104000.00      35.379     -24.619      10.759   7.48 0.286 0.500 0.210 0.873     320.972     330.000       9.382   35 
-    530000      106000.00      32.099     -31.212       0.887   4.25 0.143 0.800 0.291 0.832     291.217     330.000       7.004   35 
-    540000      108000.00      27.777     -27.070       0.706   6.53 0.143 0.500 0.170 1.681     252.006     330.000       9.551   35 
-    550000      110000.00      31.251     -27.155       4.096   7.02 0.286 0.692 0.364 1.131     283.522     330.000       6.598   35 
-    560000      112000.00      35.445     -31.071       4.374   6.03 0.214 0.625 0.341 1.223     321.572     330.000       7.503   35 
-    570000      114000.00      40.723     -20.025      20.698   6.54 0.214 0.250 0.148 2.899     369.459     330.000       9.611   35 
-    580000      116000.00      27.467     -18.197       9.270   6.97 0.000 1.000 0.307 1.472     249.191     330.000       7.192   35 
-    590000      118000.00      36.394     -23.946      12.448   8.58 0.143 0.600 0.182 1.474     330.183     330.000      10.549   35 
-    600000      120000.00      38.042     -17.275      20.767   9.40 0.143 0.000 0.159 1.071     345.140     330.000      12.253   35 
-    610000      122000.00      22.936     -29.276      -6.340   2.94 0.429 0.538 0.234 1.514     208.091     330.000       7.044   35 
-    620000      124000.00      40.756     -31.088       9.667   4.70 0.286 0.556 0.374 1.755     369.756     330.000       7.850   35 
-    630000      126000.00      32.757     -21.914      10.843   7.53 0.214 0.250 0.148 3.098     297.185     330.000      10.157   35 
-    640000      128000.00      32.143     -30.399       1.743   5.13 0.286 0.556 0.308 1.954     291.616     330.000       8.129   35 
-    650000      130000.00      36.535      -9.616      26.919   5.11 0.071 0.500 0.591 2.106     331.465     330.000       9.643   35 
-    660000      132000.00      34.725     -31.462       3.263   6.44 0.214 0.700 0.318 1.815     315.041     330.000       7.392   35 
-    670000      134000.00      32.832     -23.627       9.205   4.36 0.143 0.778 0.303 1.266     297.867     330.000       7.469   35 
-    680000      136000.00      38.901     -22.345      16.556   5.52 0.143 0.600 0.373 1.696     352.931     330.000       8.527   35 
-    690000      138000.00      38.851     -17.333      21.518   5.35 0.000 1.000 0.439 1.576     352.479     330.000       7.829   35 
-    700000      140000.00      35.009     -24.785      10.223   6.56 0.000 1.000 0.532 0.980     317.618     330.000       7.650   35 
-    710000      142000.00      26.837     -32.665      -5.828   5.64 0.071 0.833 0.515 1.257     243.479     320.000       8.353   35 
-    720000      144000.00      31.143     -17.585      13.557   4.89 0.286 0.333 0.311 2.185     282.542     320.000       7.697   35 
-    730000      146000.00      32.208     -29.956       2.252   5.73 0.214 0.700 0.314 1.846     292.205     320.000       7.531   35 
-    740000      148000.00      33.157     -11.187      21.970   4.91 0.000 1.000 0.500 2.891     300.815     320.000       9.086   35 
-    750000      150000.00      22.833     -24.511      -1.678   3.99 0.071 0.833 0.288 0.928     207.150     320.000       7.632   35 
-    760000      152000.00      35.374     -24.225      11.149   5.04 0.286 0.429 0.162 2.130     320.932     320.000       7.704   35 
-    770000      154000.00      30.510     -19.668      10.842   5.62 0.143 0.500 0.239 2.620     276.801     320.000       8.998   35 
-    780000      156000.00      32.466     -20.438      12.028   5.35 0.071 0.833 0.356 3.150     294.547     320.000       8.055   35 
-    790000      158000.00      24.293     -29.852      -5.559   4.44 0.286 0.600 0.323 1.783     220.395     320.000       6.927   35 
-    800000      160000.00      31.432     -11.818      19.615   4.59 0.286 0.500 0.244 1.139     285.170     320.000       8.100   35 
-    810000      162000.00      30.318     -39.958      -9.640   5.97 0.214 0.625 0.324 2.627     275.062     310.000       7.319   35 
-    820000      164000.00      31.185     -26.641       4.544   5.14 0.214 0.571 0.169 1.886     282.923     310.000       7.346   35 
-    830000      166000.00      30.277     -21.107       9.170   6.04 0.214 0.727 0.380 2.247     274.685     310.000       7.053   35 
-    840000      168000.00      33.894     -38.349      -4.455   5.86 0.071 0.889 0.414 1.812     307.501     310.000       7.162   35 
-    850000      170000.00      35.714     -27.953       7.761   4.13 0.357 0.545 0.335 1.638     324.016     310.000       6.921   35 
-    860000      172000.00      42.623     -30.494      12.129   5.56 0.357 0.688 0.241 2.749     386.701     310.000       6.901   35 
-    870000      174000.00      23.754     -26.924      -3.170   4.76 0.286 0.556 0.343 0.975     215.508     310.000       7.512   35 
-    880000      176000.00      37.125     -34.035       3.090   5.85 0.286 0.636 0.202 3.982     336.816     310.000       7.878   35 
-    890000      178000.00      31.320     -24.774       6.546   7.28 0.143 0.714 0.162 2.264     284.152     310.000       9.688   35 
-    900000      180000.00      32.815     -31.380       1.435   4.38 0.214 0.625 0.244 1.721     297.718     310.000       7.334   35 
-    910000      182000.00      29.592     -23.788       5.804   5.76 0.143 0.714 0.208 2.997     268.478     310.000       7.091   35 
-    920000      184000.00      29.656     -32.918      -3.262   5.45 0.286 0.692 0.364 1.668     269.055     310.000       7.040   35 
-    930000      186000.00      25.002     -26.035      -1.034   4.46 0.143 0.846 0.262 0.904     226.827     310.000       7.408   35 
-    940000      188000.00      37.169     -24.409      12.760   7.38 0.000 1.000 0.200 1.804     337.213     310.000       9.316   35 
-    950000      190000.00      29.998     -20.756       9.242   4.18 0.357 0.286 0.331 0.770     272.162     310.000       7.281   35 
-    960000      192000.00      28.135     -17.059      11.075   6.11 0.000 1.000 0.201 2.648     255.253     310.000       7.633   35 
-    970000      194000.00      29.054     -29.973      -0.918   6.28 0.143 0.800 0.277 2.566     263.597     310.000       6.776   35 
-    980000      196000.00      21.357     -37.104     -15.748   4.52 0.143 0.818 0.384 1.571     193.758     310.000       7.949   35 
-    990000      198000.00      25.083     -31.055      -5.972   5.02 0.286 0.636 0.318 1.950     227.564     310.000       7.646   35 
-   1000000      200000.00      35.441     -32.353       3.089   7.04 0.286 0.333 0.167 2.063     321.543     310.000       9.245   35 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB036.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB036.stat
deleted file mode 100644
index 880d9e7..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB036.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      39.591      21.011      60.602  12.87 0.000   NaN   NaN 0.933     359.192     340.000      15.552   36 
-     10000        2000.00      30.333     -12.050      18.283   6.58 0.071 0.889 0.354 1.787     275.196     340.000       8.145   36 
-     20000        4000.00      37.615       2.482      40.097   7.35 0.071 0.500 0.205 1.730     341.261     340.000      11.329   36 
-     30000        6000.00      38.381     -24.586      13.795   4.82 0.071 0.800 0.318 1.972     348.211     340.000       8.599   36 
-     40000        8000.00      36.455     -19.369      17.086   5.99 0.143 0.333 0.212 2.042     330.743     340.000       8.189   36 
-     50000       10000.00      29.836      -4.336      25.499   5.00 0.071 0.750 0.352 1.358     270.684     340.000       8.584   36 
-     60000       12000.00      32.768     -24.946       7.823   7.31 0.071 0.857 0.416 1.203     297.291     340.000       7.914   36 
-     70000       14000.00      29.540     -16.920      12.620   6.19 0.000 1.000 0.303 3.331     268.001     340.000       9.712   36 
-     80000       16000.00      31.809     -19.144      12.665   6.34 0.071 0.800 0.191 3.212     288.587     340.000       9.618   36 
-     90000       18000.00      32.406     -35.612      -3.205   5.82 0.143 0.750 0.369 1.465     294.008     340.000       7.677   36 
-    100000       20000.00      34.529     -17.022      17.506   5.12 0.143 0.667 0.273 2.878     313.262     340.000       7.546   36 
-    110000       22000.00      30.688     -29.617       1.071   5.28 0.286 0.636 0.376 1.413     278.418     320.000       7.102   36 
-    120000       24000.00      30.389     -33.469      -3.081   6.54 0.143 0.818 0.244 2.112     275.704     320.000       7.303   36 
-    130000       26000.00      39.377     -20.117      19.260   5.75 0.071 0.800 0.327 2.348     357.247     320.000       7.383   36 
-    140000       28000.00      26.700     -17.207       9.492   5.68 0.071 0.909 0.459 1.964     242.233     320.000       7.437   36 
-    150000       30000.00      29.741     -29.149       0.592   5.47 0.214 0.700 0.459 2.563     269.829     320.000       7.099   36 
-    160000       32000.00      28.949     -25.467       3.482   4.66 0.286 0.500 0.182 1.574     262.640     320.000       8.481   36 
-    170000       34000.00      33.904      -4.281      29.623   4.76 0.000 1.000 0.197 2.046     307.595     320.000       9.044   36 
-    180000       36000.00      35.097     -25.648       9.449   3.34 0.286 0.333 0.220 2.225     318.415     320.000       7.230   36 
-    190000       38000.00      28.059     -32.395      -4.336   3.65 0.214 0.667 0.384 2.282     254.565     320.000       7.704   36 
-    200000       40000.00      23.422     -29.771      -6.350   8.46 0.214 0.571 0.208 1.358     212.493     320.000      10.605   36 
-    210000       42000.00      33.465     -16.913      16.552   3.92 0.071 0.500 0.136 2.141     303.612     310.000       8.747   36 
-    220000       44000.00      31.704     -28.764       2.939   4.18 0.214 0.625 0.324 1.238     287.631     310.000       7.352   36 
-    230000       46000.00      28.034     -22.866       5.168   4.15 0.357 0.500 0.177 2.328     254.336     310.000       7.754   36 
-    240000       48000.00      31.053     -31.107      -0.054   5.34 0.143 0.778 0.212 1.570     281.728     310.000       8.490   36 
-    250000       50000.00      31.376     -42.037     -10.660   5.22 0.214 0.786 0.328 1.098     284.663     310.000       6.886   36 
-    260000       52000.00      30.595     -35.042      -4.447   4.65 0.286 0.692 0.332 2.673     277.577     310.000       6.528   36 
-    270000       54000.00      30.953     -37.889      -6.936   4.39 0.071 0.900 0.459 1.924     280.818     310.000       7.532   36 
-    280000       56000.00      31.036     -36.306      -5.270   4.94 0.214 0.667 0.343 1.176     281.578     310.000       7.530   36 
-    290000       58000.00      37.164     -29.254       7.910   4.65 0.143 0.778 0.455 0.858     337.170     310.000       7.460   36 
-    300000       60000.00      36.278     -30.041       6.237   4.48 0.286 0.556 0.293 1.481     329.135     310.000       7.695   36 
-    310000       62000.00      30.183     -34.130      -3.947   3.76 0.143 0.800 0.345 1.817     273.839     310.000       6.861   36 
-    320000       64000.00      33.527     -36.565      -3.038   4.62 0.214 0.786 0.409 1.578     304.173     310.000       6.702   36 
-    330000       66000.00      24.644     -38.705     -14.061   6.17 0.286 0.636 0.219 0.794     223.584     310.000       7.449   36 
-    340000       68000.00      29.393     -27.219       2.174   3.69 0.286 0.600 0.218 2.619     266.667     310.000       7.133   36 
-    350000       70000.00      28.732     -34.489      -5.758   3.72 0.143 0.800 0.359 1.055     260.667     310.000       7.005   36 
-    360000       72000.00      31.129     -41.133     -10.004   4.78 0.214 0.727 0.318 1.005     282.419     310.000       6.595   36 
-    370000       74000.00      30.216     -13.139      17.076   4.98 0.143 0.667 0.235 0.863     274.132     310.000       8.449   36 
-    380000       76000.00      32.249     -31.585       0.664   5.18 0.357 0.667 0.321 1.745     292.584     310.000       6.595   36 
-    390000       78000.00      32.488     -37.944      -5.456   4.72 0.214 0.700 0.364 2.511     294.746     310.000       7.070   36 
-    400000       80000.00      34.875     -22.213      12.662   4.49 0.214 0.700 0.214 2.854     316.403     310.000       7.659   36 
-    410000       82000.00      27.991     -16.180      11.812   5.82 0.214 0.700 0.359 2.140     253.953     320.000       7.318   36 
-    420000       84000.00      29.403     -21.301       8.102   5.21 0.143 0.714 0.403 0.996     266.755     320.000       7.363   36 
-    430000       86000.00      42.859     -31.805      11.054   5.80 0.214 0.667 0.338 3.281     388.842     320.000       6.918   36 
-    440000       88000.00      34.009     -30.260       3.749   5.47 0.071 0.800 0.264 2.017     308.550     320.000       7.678   36 
-    450000       90000.00      29.072     -23.544       5.528   6.12 0.143 0.667 0.371 1.864     263.753     320.000       6.971   36 
-    460000       92000.00      25.785     -33.649      -7.864   5.90 0.214 0.667 0.207 1.213     233.936     320.000       7.211   36 
-    470000       94000.00      26.447     -35.537      -9.090   4.34 0.143 0.818 0.289 2.175     239.940     320.000       7.486   36 
-    480000       96000.00      33.246     -17.915      15.331   4.72 0.214 0.700 0.336 2.171     301.621     320.000       7.262   36 
-    490000       98000.00      33.401     -14.474      18.928   9.21 0.143 0.667 0.182 1.828     303.034     320.000      12.174   36 
-    500000      100000.00      28.828     -16.806      12.022   7.35 0.071 0.857 0.338 1.618     261.546     320.000       7.025   36 
-    510000      102000.00      25.482     -36.453     -10.971   6.18 0.214 0.750 0.284 1.794     231.182     320.000       7.162   36 
-    520000      104000.00      37.944     -28.169       9.775   5.43 0.214 0.667 0.318 2.152     344.243     320.000       7.174   36 
-    530000      106000.00      32.975     -33.769      -0.794   5.45 0.143 0.818 0.376 1.759     299.169     320.000       6.868   36 
-    540000      108000.00      20.407     -14.009       6.398   4.66 0.071 0.800 0.291 1.759     185.143     320.000       7.833   36 
-    550000      110000.00      29.493     -21.132       8.361   5.06 0.143 0.778 0.384 2.075     267.575     320.000       7.284   36 
-    560000      112000.00      23.698     -33.182      -9.484   6.15 0.143 0.750 0.403 1.747     215.005     320.000       6.982   36 
-    570000      114000.00      31.727     -15.780      15.948   6.66 0.143 0.600 0.245 4.375     287.848     320.000       7.542   36 
-    580000      116000.00      36.694     -22.676      14.018   6.13 0.214 0.700 0.214 1.201     332.908     320.000       8.133   36 
-    590000      118000.00      30.172     -28.708       1.464   4.56 0.214 0.571 0.487 1.687     273.739     320.000       7.400   36 
-    600000      120000.00      31.463      -8.341      23.122   5.55 0.000 1.000 0.409 2.061     285.447     320.000       8.633   36 
-    610000      122000.00      36.531       4.460      40.991   6.68 0.000 1.000 0.636 4.206     331.427     380.000       9.333   36 
-    620000      124000.00      34.346       0.156      34.501  10.51 0.071 0.000 0.136 1.722     311.602     380.000      14.338   36 
-    630000      126000.00      33.742     -17.800      15.943   3.85 0.214 0.667 0.409 1.381     306.128     380.000       7.130   36 
-    640000      128000.00      39.351      -1.240      38.111   5.25 0.000   NaN   NaN 1.656     357.010     380.000      10.389   36 
-    650000      130000.00      29.440       3.707      33.148   6.04 0.000   NaN   NaN 1.740     267.098     380.000       9.854   36 
-    660000      132000.00      33.815       0.548      34.363   5.86 0.143 0.714 0.201 3.619     306.788     380.000       8.504   36 
-    670000      134000.00      35.006     -11.716      23.290   6.43 0.286 0.429 0.188 1.412     317.592     380.000       9.728   36 
-    680000      136000.00      32.684      -3.582      29.102  10.19 0.071 0.000 0.136 2.649     296.531     380.000      13.875   36 
-    690000      138000.00      34.131      -9.368      24.763   7.98 0.000 1.000 0.152 2.250     309.658     380.000      11.401   36 
-    700000      140000.00      36.704     -14.536      22.168   9.62 0.143 0.500 0.148 1.131     333.000     380.000      13.543   36 
-    710000      142000.00      33.047      -5.616      27.430   6.31 0.071 0.500 0.273 1.419     299.819     370.000      10.189   36 
-    720000      144000.00      35.111       3.005      38.117   5.86 0.071 0.500 0.227 3.424     318.547     370.000      10.452   36 
-    730000      146000.00      37.362      -4.426      32.935   5.55 0.143 0.500 0.273 1.586     338.965     370.000       8.772   36 
-    740000      148000.00      36.195     -13.515      22.680   4.92 0.071 0.750 0.432 1.766     328.383     370.000       8.585   36 
-    750000      150000.00      31.225     -13.247      17.978   5.95 0.000 1.000 0.273 1.276     283.286     370.000      10.718   36 
-    760000      152000.00      32.802     -13.234      19.568   6.38 0.000 1.000 0.439 2.578     297.596     370.000       8.339   36 
-    770000      154000.00      35.647      -9.516      26.131   6.72 0.214 0.625 0.364 1.218     323.406     370.000       7.084   36 
-    780000      156000.00      52.999       7.797      60.795   5.91 0.071 0.500 0.182 1.626     480.831     370.000      10.321   36 
-    790000      158000.00      33.486     -12.413      21.073   5.49 0.071 0.833 0.485 2.536     303.802     370.000       8.360   36 
-    800000      160000.00      36.885       8.889      45.774   6.76 0.000 1.000 0.364 1.043     334.640     370.000       8.927   36 
-    810000      162000.00      38.200      -6.419      31.781   6.63 0.071 0.900 0.309 2.656     346.571     370.000       7.186   36 
-    820000      164000.00      35.474       2.771      38.245   6.20 0.000   NaN   NaN 1.685     321.838     370.000       9.349   36 
-    830000      166000.00      28.943     -23.319       5.624   4.57 0.143 0.600 0.491 3.129     262.583     370.000       8.538   36 
-    840000      168000.00      30.184       3.062      33.246   6.76 0.214 0.000 0.288 2.007     273.841     370.000       7.743   36 
-    850000      170000.00      32.815     -10.689      22.127   6.02 0.071 0.800 0.364 2.005     297.716     370.000       8.010   36 
-    860000      172000.00      39.376     -19.040      20.336   4.99 0.071 0.750 0.330 1.576     357.240     370.000       9.712   36 
-    870000      174000.00      32.649      -7.810      24.840   4.37 0.143 0.714 0.383 1.933     296.212     370.000       8.061   36 
-    880000      176000.00      38.160       5.191      43.351  10.09 0.143 0.600 0.173 1.943     346.204     370.000      13.585   36 
-    890000      178000.00      46.918     -12.178      34.740   7.44 0.143 0.333 0.197 1.971     425.660     370.000       8.876   36 
-    900000      180000.00      42.017      -6.548      35.469   7.22 0.071 0.000 0.136 2.022     381.199     370.000       9.910   36 
-    910000      182000.00      37.422     -20.744      16.678   8.90 0.143 0.333 0.152 1.235     339.511     350.000      12.408   36 
-    920000      184000.00      45.811      -1.473      44.338   7.72 0.000 1.000 0.386 2.614     415.623     350.000      10.268   36 
-    930000      186000.00      32.297      -4.208      28.089   3.65 0.071 0.500 0.159 2.309     293.014     350.000       8.313   36 
-    940000      188000.00      42.248     -12.729      29.519   7.28 0.214 0.250 0.170 4.711     383.296     350.000      10.665   36 
-    950000      190000.00      34.730      -5.436      29.294   9.55 0.071 0.500 0.159 4.005     315.089     350.000      12.654   36 
-    960000      192000.00      36.419      -5.467      30.952   9.22 0.000   NaN   NaN 1.829     330.412     350.000      12.642   36 
-    970000      194000.00      38.711     -14.698      24.013   4.59 0.000 1.000 0.318 1.439     351.204     350.000       8.999   36 
-    980000      196000.00      38.884      -8.351      30.533   7.01 0.143 0.500 0.261 1.977     352.773     350.000       8.471   36 
-    990000      198000.00      33.214     -17.000      16.214   4.83 0.214 0.667 0.187 1.863     301.333     350.000       8.133   36 
-   1000000      200000.00      30.630     -28.985       1.645   6.41 0.143 0.875 0.375 1.899     277.889     350.000       6.951   36 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB037.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB037.stat
deleted file mode 100644
index e3efc9b..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB037.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      36.367      21.011      57.378  12.87 0.000   NaN   NaN 0.933     329.940     340.000      15.552   37 
-     10000        2000.00      36.969     -12.396      24.573   4.98 0.143 0.800 0.500 1.222     335.404     340.000       8.857   37 
-     20000        4000.00      33.964     -18.246      15.718   5.47 0.143 0.818 0.351 1.309     308.138     340.000       6.942   37 
-     30000        6000.00      38.324      -3.674      34.649   5.22 0.071 0.667 0.242 1.925     347.691     340.000       8.793   37 
-     40000        8000.00      31.550     -20.202      11.349   5.28 0.071 0.889 0.419 4.130     286.240     340.000       7.217   37 
-     50000       10000.00      31.207     -16.571      14.637   5.56 0.000 1.000 0.485 1.397     283.127     340.000       8.984   37 
-     60000       12000.00      38.443     -14.405      24.039   5.44 0.071 0.833 0.439 2.417     348.778     340.000       8.870   37 
-     70000       14000.00      28.873     -27.579       1.294   6.22 0.214 0.625 0.233 1.258     261.948     340.000       8.327   37 
-     80000       16000.00      35.580     -17.675      17.905   5.20 0.214 0.400 0.300 2.323     322.802     340.000       8.449   37 
-     90000       18000.00      31.890     -13.510      18.380   5.35 0.214 0.250 0.159 2.102     289.319     340.000      10.028   37 
-    100000       20000.00      33.029     -24.904       8.125   7.06 0.000 1.000 0.235 0.571     299.655     340.000       7.345   37 
-    110000       22000.00      36.477     -27.343       9.135   6.62 0.071 0.900 0.282 1.997     330.942     340.000       7.137   37 
-    120000       24000.00      35.052     -28.399       6.653   3.68 0.214 0.727 0.298 1.459     318.014     340.000       7.318   37 
-    130000       26000.00      37.588     -15.992      21.596   4.73 0.143 0.714 0.299 2.601     341.019     340.000       8.928   37 
-    140000       28000.00      33.045     -13.491      19.554   5.10 0.286 0.333 0.326 1.122     299.803     340.000       8.614   37 
-    150000       30000.00      29.879     -17.527      12.352   5.06 0.143 0.750 0.312 1.119     271.077     340.000       7.094   37 
-    160000       32000.00      37.782     -16.581      21.201  10.79 0.143 0.000 0.136 1.044     342.781     340.000      13.878   37 
-    170000       34000.00      36.714     -10.584      26.131   4.08 0.143 0.600 0.309 2.060     333.092     340.000       7.661   37 
-    180000       36000.00      27.088     -13.759      13.329   6.48 0.143 0.750 0.295 0.981     245.758     340.000       8.258   37 
-    190000       38000.00      36.413     -16.821      19.592   9.40 0.071 0.000 0.136 0.806     330.360     340.000      13.088   37 
-    200000       40000.00      35.089      -1.829      33.261   8.75 0.000 1.000 0.295 1.605     318.347     340.000      10.484   37 
-    210000       42000.00      33.857     -27.653       6.204   5.93 0.071 0.857 0.318 1.033     307.166     330.000       8.216   37 
-    220000       44000.00      29.817      -3.998      25.818  10.76 0.071 0.000 0.136 2.619     270.512     330.000      14.424   37 
-    230000       46000.00      36.098     -16.056      20.042   4.99 0.143 0.800 0.486 2.229     327.499     330.000       8.213   37 
-    240000       48000.00      24.548     -28.299      -3.751   5.92 0.143 0.600 0.391 1.378     222.710     330.000       7.439   37 
-    250000       50000.00      30.436     -14.417      16.019   6.43 0.000 1.000 0.500 1.090     276.130     330.000       7.769   37 
-    260000       52000.00      34.418     -18.460      15.957   5.33 0.071 0.667 0.424 1.477     312.257     330.000       8.337   37 
-    270000       54000.00      27.741     -25.782       1.959   9.75 0.143 0.500 0.159 1.494     251.684     330.000      11.583   37 
-    280000       56000.00      28.555     -23.830       4.725   6.01 0.143 0.800 0.377 0.828     259.068     330.000       7.126   37 
-    290000       58000.00      31.617     -33.191      -1.574   4.77 0.143 0.714 0.351 1.753     286.844     330.000       7.304   37 
-    300000       60000.00      28.349     -27.192       1.157   5.58 0.214 0.625 0.449 1.319     257.197     330.000       7.635   37 
-    310000       62000.00      33.371     -33.108       0.263   5.88 0.143 0.778 0.379 1.397     302.763     330.000       7.532   37 
-    320000       64000.00      37.023     -22.337      14.686   7.18 0.214 0.750 0.348 1.459     335.889     330.000       7.562   37 
-    330000       66000.00      38.762     -17.126      21.637   4.87 0.214 0.400 0.473 2.333     351.673     330.000       8.933   37 
-    340000       68000.00      29.431     -19.906       9.525   5.43 0.000 1.000 0.424 1.147     267.014     330.000       7.539   37 
-    350000       70000.00      31.772     -25.641       6.131   5.60 0.214 0.769 0.283 1.144     288.252     330.000       6.604   37 
-    360000       72000.00      24.099     -14.865       9.234   5.79 0.143 0.500 0.170 1.352     218.641     330.000      10.056   37 
-    370000       74000.00      32.322     -26.083       6.239   4.58 0.143 0.800 0.441 1.467     293.242     330.000       7.499   37 
-    380000       76000.00      27.004     -10.322      16.682   6.36 0.143 0.778 0.338 3.028     244.998     330.000       7.061   37 
-    390000       78000.00      34.686     -12.652      22.034   7.47 0.000 1.000 0.405 2.147     314.691     330.000       6.967   37 
-    400000       80000.00      41.974      -9.306      32.668   7.63 0.071 0.500 0.205 1.469     380.808     330.000      11.231   37 
-    410000       82000.00      35.507      -1.297      34.209   6.64 0.143 0.600 0.227 1.057     322.136     400.000       9.261   37 
-    420000       84000.00      42.081       3.729      45.810   7.23 0.000 1.000 0.364 2.805     381.783     400.000       8.601   37 
-    430000       86000.00      27.488       3.614      31.101   4.90 0.071 0.800 0.555 3.094     249.383     400.000       8.858   37 
-    440000       88000.00      39.839      -0.635      39.204   5.75 0.071 0.667 0.182 0.414     361.441     400.000      10.308   37 
-    450000       90000.00      34.841      -0.669      34.171   7.02 0.071 0.500 0.159 1.952     316.092     400.000       9.657   37 
-    460000       92000.00      36.592      -0.756      35.837  12.32 0.000   NaN   NaN 1.171     331.985     400.000      16.244   37 
-    470000       94000.00      30.914       0.434      31.348   7.58 0.000 1.000 0.212 2.644     280.470     400.000       9.602   37 
-    480000       96000.00      46.668      -1.077      45.591   9.69 0.000   NaN   NaN 2.247     423.392     400.000      14.150   37 
-    490000       98000.00      32.699     -16.413      16.286   5.26 0.000 1.000 0.591 1.624     296.658     400.000       9.214   37 
-    500000      100000.00      39.116      -3.298      35.818   5.74 0.071 0.000 0.136 1.343     354.881     400.000       7.783   37 
-    510000      102000.00      31.171      -6.834      24.337   6.58 0.071 0.667 0.182 2.296     282.799     370.000       9.448   37 
-    520000      104000.00      32.092     -16.317      15.775   7.82 0.000 1.000 0.371 0.995     291.153     370.000       8.056   37 
-    530000      106000.00      37.533      -5.144      32.389   6.12 0.071 0.667 0.273 1.881     340.518     370.000       8.529   37 
-    540000      108000.00      31.496     -20.953      10.543   5.13 0.071 0.889 0.414 1.438     285.744     370.000       7.268   37 
-    550000      110000.00      34.383      -6.776      27.607   6.36 0.071 0.667 0.182 1.746     311.936     370.000      10.664   37 
-    560000      112000.00      40.845       2.524      43.369   5.08 0.000 1.000 0.136 2.070     370.570     370.000      10.348   37 
-    570000      114000.00      37.071      -4.387      32.684   7.78 0.000 1.000 0.136 1.737     336.325     370.000      11.343   37 
-    580000      116000.00      29.177      -5.902      23.275   6.17 0.000 1.000 0.477 2.165     264.709     370.000       8.681   37 
-    590000      118000.00      47.125     -13.210      33.915   9.22 0.000 1.000 0.250 1.529     427.542     370.000      12.304   37 
-    600000      120000.00      33.089      -2.493      30.595   7.56 0.071 0.833 0.189 1.691     300.197     370.000      10.372   37 
-    610000      122000.00      39.340      -6.106      33.234   7.16 0.071 0.000 0.182 1.109     356.912     360.000       9.058   37 
-    620000      124000.00      48.163     -10.014      38.148   5.60 0.143 0.800 0.532 3.020     436.957     360.000       7.729   37 
-    630000      126000.00      33.507      -6.643      26.864  10.24 0.000   NaN   NaN 1.319     303.996     360.000      14.772   37 
-    640000      128000.00      35.106     -25.634       9.472   5.61 0.214 0.727 0.372 1.805     318.499     360.000       6.861   37 
-    650000      130000.00      38.540      -4.587      33.953  11.02 0.000 1.000 0.182 2.057     349.652     360.000      14.597   37 
-    660000      132000.00      31.969     -22.075       9.895   5.21 0.143 0.333 0.167 2.305     290.042     360.000       8.509   37 
-    670000      134000.00      27.218     -10.509      16.708  11.76 0.000   NaN   NaN 1.470     246.934     360.000      15.594   37 
-    680000      136000.00      31.983      -6.547      25.436   5.13 0.143 0.500 0.205 1.087     290.168     360.000       8.364   37 
-    690000      138000.00      35.802     -18.220      17.582   4.47 0.143 0.778 0.333 2.101     324.814     360.000       7.379   37 
-    700000      140000.00      37.741     -21.168      16.574   4.72 0.143 0.667 0.341 1.102     342.409     360.000       7.566   37 
-    710000      142000.00      38.608     -16.914      21.694   5.32 0.143 0.500 0.466 2.184     350.268     350.000       8.746   37 
-    720000      144000.00      39.095     -15.444      23.651   5.16 0.143 0.600 0.309 2.215     354.694     350.000       7.139   37 
-    730000      146000.00      33.442     -17.083      16.359   6.69 0.286 0.333 0.182 1.362     303.404     350.000      10.044   37 
-    740000      148000.00      30.734     -21.979       8.755   6.85 0.214 0.250 0.170 1.796     278.837     350.000      10.488   37 
-    750000      150000.00      28.137      -6.347      21.791   8.13 0.000 1.000 0.205 1.701     255.276     350.000      11.668   37 
-    760000      152000.00      31.087     -10.839      20.248   4.22 0.143 0.600 0.482 1.752     282.035     350.000       7.758   37 
-    770000      154000.00      41.944     -16.243      25.700   9.95 0.000 1.000 0.295 2.006     380.534     350.000      12.473   37 
-    780000      156000.00      35.126      -6.056      29.070   6.86 0.071 0.500 0.182 3.249     318.685     350.000       8.307   37 
-    790000      158000.00      27.710     -26.635       1.075   6.20 0.000 1.000 0.447 1.041     251.399     350.000       8.372   37 
-    800000      160000.00      45.033     -14.384      30.649   5.70 0.143 0.750 0.261 1.779     408.563     350.000       8.215   37 
-    810000      162000.00      36.302      -2.225      34.076  10.35 0.000 1.000 0.136 1.714     329.347     360.000      12.539   37 
-    820000      164000.00      28.689      -5.694      22.994   5.21 0.071 0.500 0.159 1.200     260.277     360.000       9.741   37 
-    830000      166000.00      34.485     -11.013      23.473  11.50 0.071 0.500 0.136 1.668     312.869     360.000      14.765   37 
-    840000      168000.00      42.266     -17.255      25.012   5.86 0.000 1.000 0.409 2.754     383.462     360.000       8.910   37 
-    850000      170000.00      37.011      -4.232      32.779   7.03 0.143 0.000 0.136 1.938     335.782     360.000      10.922   37 
-    860000      172000.00      36.675      -0.300      36.375   6.82 0.000   NaN   NaN 1.207     332.737     360.000      10.441   37 
-    870000      174000.00      41.282     -13.227      28.055   5.46 0.071 0.750 0.341 2.476     374.532     360.000       8.330   37 
-    880000      176000.00      29.862      -1.926      27.936   6.09 0.071 0.667 0.258 1.804     270.924     360.000       9.996   37 
-    890000      178000.00      30.785     -17.806      12.979   5.30 0.143 0.667 0.379 1.006     279.297     360.000       7.541   37 
-    900000      180000.00      44.717      -7.761      36.956   7.69 0.000   NaN   NaN 3.307     405.696     360.000      10.961   37 
-    910000      182000.00      32.954     -18.335      14.619   5.56 0.071 0.857 0.435 2.201     298.974     340.000       8.627   37 
-    920000      184000.00      27.869     -16.236      11.633   6.07 0.071 0.800 0.182 1.754     252.839     340.000       8.977   37 
-    930000      186000.00      28.113     -30.448      -2.335   4.93 0.286 0.600 0.391 0.862     255.058     340.000       7.727   37 
-    940000      188000.00      32.497     -12.366      20.130   7.59 0.286 0.600 0.286 2.538     294.828     340.000       8.074   37 
-    950000      190000.00      45.405      -7.542      37.862   6.27 0.071 0.857 0.286 2.625     411.935     340.000       7.122   37 
-    960000      192000.00      31.124     -13.125      17.999   8.00 0.000   NaN   NaN 2.021     282.370     340.000      10.586   37 
-    970000      194000.00      31.179     -16.981      14.199   4.16 0.000 1.000 0.390 1.022     282.876     340.000       7.103   37 
-    980000      196000.00      38.071     -34.857       3.213   4.28 0.357 0.545 0.227 1.747     345.397     340.000       8.202   37 
-    990000      198000.00      36.941     -16.763      20.178   5.02 0.286 0.500 0.261 1.947     335.152     340.000       7.357   37 
-   1000000      200000.00      33.291     -27.540       5.751   5.01 0.357 0.583 0.242 1.150     302.036     340.000       8.072   37 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB038.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB038.stat
deleted file mode 100644
index bfa8c75..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB038.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      26.807      21.011      47.818  12.87 0.000   NaN   NaN 0.933     243.209     340.000      15.552   38 
-     10000        2000.00      42.656     -19.490      23.166   6.02 0.071 0.857 0.390 1.659     386.998     340.000       7.786   38 
-     20000        4000.00      33.099     -19.251      13.848   5.11 0.429 0.333 0.187 1.575     300.291     340.000       8.464   38 
-     30000        6000.00      31.141     -17.504      13.637   5.33 0.143 0.750 0.295 1.286     282.525     340.000       7.018   38 
-     40000        8000.00      33.169      -4.963      28.206   5.78 0.214 0.500 0.273 4.452     300.925     340.000       8.799   38 
-     50000       10000.00      29.387     -22.826       6.560   5.49 0.214 0.769 0.385 1.912     266.611     340.000       7.070   38 
-     60000       12000.00      34.332     -28.199       6.134   7.24 0.071 0.800 0.355 2.326     311.479     340.000       7.929   38 
-     70000       14000.00      31.233     -10.540      20.693   5.68 0.071 0.750 0.307 1.655     283.359     340.000       8.242   38 
-     80000       16000.00      30.060     -28.067       1.993   4.39 0.214 0.750 0.273 1.116     272.723     340.000       7.702   38 
-     90000       18000.00      38.995       0.194      39.189   9.47 0.000   NaN   NaN 2.217     353.786     340.000      13.225   38 
-    100000       20000.00      24.160     -25.707      -1.547   6.01 0.071 0.800 0.400 1.054     219.192     340.000       7.607   38 
-    110000       22000.00      37.246      -4.548      32.698   9.04 0.000 1.000 0.227 2.380     337.913     340.000      11.989   38 
-    120000       24000.00      31.342     -37.772      -6.430   4.29 0.429 0.571 0.425 2.740     284.349     340.000       7.132   38 
-    130000       26000.00      31.658     -29.477       2.180   3.87 0.143 0.778 0.364 0.922     287.214     340.000       7.170   38 
-    140000       28000.00      22.936      -6.010      16.926   7.53 0.071 0.500 0.136 1.612     208.085     340.000      11.250   38 
-    150000       30000.00      32.672     -22.545      10.127   3.66 0.071 0.667 0.318 1.040     296.415     340.000       8.529   38 
-    160000       32000.00      29.581     -13.798      15.783   4.17 0.143 0.778 0.439 2.234     268.371     340.000       8.200   38 
-    170000       34000.00      29.486      -6.795      22.691   5.47 0.071 0.750 0.261 1.669     267.513     340.000       8.123   38 
-    180000       36000.00      34.784     -19.981      14.803   4.71 0.000 1.000 0.318 1.011     315.582     340.000       8.497   38 
-    190000       38000.00      35.302     -11.382      23.920   5.73 0.286 0.000 0.148 2.912     320.280     340.000       9.004   38 
-    200000       40000.00      33.577     -17.942      15.635   6.22 0.071 0.833 0.326 2.352     304.630     340.000       8.871   38 
-    210000       42000.00      29.948     -33.354      -3.406   4.66 0.143 0.750 0.403 1.270     271.699     330.000       7.568   38 
-    220000       44000.00      31.054     -29.472       1.582   7.11 0.143 0.714 0.396 1.616     281.740     330.000       7.390   38 
-    230000       46000.00      34.286     -31.284       3.002   6.28 0.143 0.818 0.426 0.964     311.060     330.000       7.163   38 
-    240000       48000.00      32.660     -31.054       1.605   5.62 0.214 0.727 0.302 2.517     296.305     330.000       7.158   38 
-    250000       50000.00      29.245     -22.955       6.290   5.17 0.214 0.769 0.381 1.868     265.326     330.000       7.542   38 
-    260000       52000.00      37.101     -28.141       8.960   4.74 0.286 0.667 0.330 2.233     336.601     330.000       7.213   38 
-    270000       54000.00      35.108     -10.715      24.393   7.61 0.214 0.400 0.164 1.903     318.519     330.000      10.776   38 
-    280000       56000.00      30.463     -30.144       0.319   5.47 0.214 0.700 0.445 0.843     276.375     330.000       7.457   38 
-    290000       58000.00      29.266     -23.262       6.004   5.60 0.143 0.714 0.201 3.380     265.517     330.000       8.608   38 
-    300000       60000.00      28.909     -39.596     -10.687   5.27 0.214 0.667 0.293 2.611     262.275     330.000       7.113   38 
-    310000       62000.00      37.540     -39.692      -2.152   6.10 0.071 0.900 0.441 1.130     340.583     330.000       6.822   38 
-    320000       64000.00      38.229     -17.897      20.332   4.26 0.000 1.000 0.409 2.256     346.835     330.000       7.938   38 
-    330000       66000.00      33.580     -20.272      13.307   7.17 0.071 0.857 0.370 1.566     304.652     330.000       7.630   38 
-    340000       68000.00      36.001     -24.918      11.083   6.11 0.214 0.625 0.358 1.829     326.623     330.000       7.877   38 
-    350000       70000.00      31.857     -10.989      20.868   6.21 0.071 0.833 0.470 1.685     289.022     330.000       8.316   38 
-    360000       72000.00      34.904     -22.486      12.418   6.32 0.214 0.571 0.344 2.074     316.667     330.000       7.351   38 
-    370000       74000.00      20.226     -22.490      -2.265   4.84 0.071 0.889 0.308 1.091     183.497     330.000       7.562   38 
-    380000       76000.00      33.003     -20.003      13.000   4.68 0.143 0.778 0.288 0.881     299.420     330.000       7.633   38 
-    390000       78000.00      35.341     -25.460       9.882   4.85 0.143 0.750 0.284 3.008     320.635     330.000       7.268   38 
-    400000       80000.00      31.720     -21.968       9.752   5.57 0.143 0.833 0.470 1.495     287.782     330.000       6.740   38 
-    410000       82000.00      34.122     -41.641      -7.519   5.75 0.357 0.643 0.396 1.052     309.572     320.000       6.862   38 
-    420000       84000.00      36.465     -36.582      -0.117   6.32 0.286 0.692 0.420 1.708     330.833     320.000       6.973   38 
-    430000       86000.00      34.257     -43.731      -9.474   5.97 0.429 0.571 0.351 1.759     310.802     320.000       6.533   38 
-    440000       88000.00      34.039     -29.297       4.742   5.26 0.143 0.714 0.377 1.598     308.823     320.000       7.309   38 
-    450000       90000.00      34.690     -32.406       2.284   5.10 0.143 0.714 0.357 1.265     314.729     320.000       7.895   38 
-    460000       92000.00      27.553     -16.502      11.051   4.72 0.286 0.765 0.377 1.862     249.977     320.000       6.928   38 
-    470000       94000.00      27.573     -13.822      13.751   5.30 0.214 0.500 0.220 2.185     250.158     320.000       9.311   38 
-    480000       96000.00      35.132     -31.218       3.914   3.12 0.429 0.500 0.337 2.330     318.734     320.000       6.292   38 
-    490000       98000.00      26.364     -42.815     -16.451   5.47 0.143 0.818 0.393 1.466     239.191     320.000       6.932   38 
-    500000      100000.00      36.096     -20.857      15.239   4.26 0.143 0.667 0.220 1.183     327.482     320.000       7.918   38 
-    510000      102000.00      27.707     -25.211       2.495   3.54 0.214 0.667 0.384 1.529     251.369     320.000       7.508   38 
-    520000      104000.00      38.283     -19.821      18.462   4.58 0.143 0.778 0.394 1.917     347.322     320.000       6.632   38 
-    530000      106000.00      33.487     -30.348       3.139   3.59 0.214 0.667 0.338 1.536     303.810     320.000       7.235   38 
-    540000      108000.00      34.671     -28.478       6.193   3.43 0.214 0.769 0.329 1.747     314.551     320.000       6.723   38 
-    550000      110000.00      32.700     -33.812      -1.111   3.50 0.071 0.857 0.468 1.437     296.675     320.000       7.113   38 
-    560000      112000.00      42.186     -24.316      17.870   5.07 0.071 0.833 0.447 2.178     382.734     320.000       8.109   38 
-    570000      114000.00      23.722     -26.922      -3.200   5.56 0.357 0.615 0.381 2.122     215.218     320.000       7.120   38 
-    580000      116000.00      28.227     -32.507      -4.280   4.23 0.214 0.727 0.322 1.492     256.090     320.000       7.209   38 
-    590000      118000.00      41.101     -28.657      12.444   4.58 0.214 0.500 0.235 2.276     372.887     320.000       8.884   38 
-    600000      120000.00      28.732     -28.547       0.185   6.83 0.214 0.750 0.258 1.146     260.673     320.000       6.958   38 
-    610000      122000.00      33.138     -39.322      -6.184   6.22 0.357 0.615 0.276 1.154     300.647     310.000       7.275   38 
-    620000      124000.00      35.678     -36.188      -0.510   4.94 0.071 0.917 0.318 1.635     323.691     310.000       6.514   38 
-    630000      126000.00      28.455     -33.772      -5.318   6.11 0.286 0.714 0.364 1.528     258.155     310.000       6.962   38 
-    640000      128000.00      28.968     -35.661      -6.692   4.50 0.143 0.714 0.214 2.420     262.815     310.000       7.256   38 
-    650000      130000.00      22.422     -34.821     -12.399   5.15 0.357 0.545 0.380 0.636     203.422     310.000       7.817   38 
-    660000      132000.00      29.467     -44.742     -15.275   4.83 0.286 0.600 0.300 2.248     267.338     310.000       7.250   38 
-    670000      134000.00      32.948     -32.379       0.569   4.96 0.000 1.000 0.298 1.652     298.918     310.000       7.378   38 
-    680000      136000.00      31.571     -34.993      -3.422   2.90 0.500 0.562 0.372 1.335     286.430     310.000       7.109   38 
-    690000      138000.00      30.148     -28.400       1.748   4.13 0.000 1.000 0.325 1.562     273.519     310.000       7.289   38 
-    700000      140000.00      32.819     -27.428       5.391   5.48 0.071 0.800 0.345 1.931     297.755     310.000       7.572   38 
-    710000      142000.00      24.486     -37.579     -13.093   7.31 0.214 0.727 0.285 1.223     222.152     300.000       7.172   38 
-    720000      144000.00      27.734     -44.200     -16.467   3.79 0.357 0.643 0.305 0.679     251.615     300.000       7.048   38 
-    730000      146000.00      29.591     -27.146       2.446   6.50 0.143 0.778 0.288 2.202     268.469     300.000       7.607   38 
-    740000      148000.00      35.514     -36.335      -0.821   5.15 0.357 0.375 0.182 1.715     322.197     300.000       8.235   38 
-    750000      150000.00      30.378     -33.817      -3.439   4.21 0.214 0.727 0.260 2.179     275.605     300.000       7.348   38 
-    760000      152000.00      25.027     -43.189     -18.163   3.74 0.214 0.769 0.266 1.394     227.054     300.000       6.940   38 
-    770000      154000.00      31.850     -49.651     -17.801   3.20 0.429 0.600 0.303 1.628     288.960     300.000       6.804   38 
-    780000      156000.00      33.754     -38.797      -5.043   3.71 0.286 0.692 0.364 1.862     306.234     300.000       6.906   38 
-    790000      158000.00      30.227     -37.713      -7.486   6.32 0.214 0.700 0.195 2.007     274.237     300.000       7.935   38 
-    800000      160000.00      27.511     -40.498     -12.986   5.46 0.143 0.833 0.379 3.502     249.597     300.000       7.312   38 
-    810000      162000.00      26.533     -18.997       7.536   4.22 0.071 0.833 0.477 0.767     240.720     330.000       7.338   38 
-    820000      164000.00      27.133     -17.363       9.770   4.25 0.143 0.667 0.455 1.058     246.167     330.000       8.597   38 
-    830000      166000.00      33.247       1.617      34.864   8.64 0.071 0.667 0.197 2.031     301.630     330.000      11.997   38 
-    840000      168000.00      28.107     -11.592      16.515   5.32 0.000 1.000 0.375 2.034     255.003     330.000       9.327   38 
-    850000      170000.00      33.654     -20.022      13.633   8.09 0.143 0.600 0.200 1.703     305.330     330.000      10.276   38 
-    860000      172000.00      23.712     -26.228      -2.515   5.20 0.143 0.000 0.364 0.938     215.131     330.000       8.161   38 
-    870000      174000.00      25.709      -9.319      16.390   6.37 0.071 0.800 0.200 1.669     233.245     330.000      10.428   38 
-    880000      176000.00      27.182      -5.746      21.436   6.58 0.071 0.500 0.136 2.983     246.607     330.000      10.998   38 
-    890000      178000.00      27.209      -9.990      17.218   7.34 0.000 1.000 0.239 1.936     246.850     330.000       7.765   38 
-    900000      180000.00      34.076      -7.552      26.524   8.55 0.000 1.000 0.136 2.611     309.155     330.000      12.682   38 
-    910000      182000.00      33.384     -14.984      18.399   4.35 0.000 1.000 0.235 0.996     302.877     390.000       7.919   38 
-    920000      184000.00      35.010      -6.676      28.334  11.48 0.000   NaN   NaN 1.537     317.628     390.000      14.250   38 
-    930000      186000.00      40.628     -19.364      21.263   4.14 0.143 0.600 0.382 1.327     368.596     390.000       7.679   38 
-    940000      188000.00      35.866     -20.921      14.946   6.65 0.000 1.000 0.295 1.412     325.397     390.000       8.759   38 
-    950000      190000.00      37.055     -13.584      23.471   6.87 0.000 1.000 0.432 2.041     336.182     390.000       8.601   38 
-    960000      192000.00      34.254      10.090      44.344   8.84 0.071 0.000 0.136 2.253     310.770     390.000      13.401   38 
-    970000      194000.00      32.550      -6.800      25.751   5.72 0.143 0.600 0.591 1.659     295.315     390.000       9.605   38 
-    980000      196000.00      34.210       2.136      36.346   6.20 0.000 1.000 0.227 2.645     310.368     390.000      11.137   38 
-    990000      198000.00      30.678      -3.193      27.485   8.71 0.000   NaN   NaN 2.078     278.323     390.000      12.862   38 
-   1000000      200000.00      44.742     -11.707      33.035   4.81 0.071 0.667 0.318 1.035     405.920     390.000       8.282   38 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB039.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB039.stat
deleted file mode 100644
index ab9c4b0..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB039.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      26.029      21.011      47.040  12.87 0.000   NaN   NaN 0.933     236.152     340.000      15.552   39 
-     10000        2000.00      28.129     -14.389      13.740   6.35 0.143 0.714 0.461 1.664     255.200     340.000       7.272   39 
-     20000        4000.00      39.168     -22.610      16.558   5.00 0.071 0.800 0.500 1.450     355.357     340.000       8.452   39 
-     30000        6000.00      34.621     -24.710       9.911   5.91 0.214 0.667 0.247 2.163     314.098     340.000       7.241   39 
-     40000        8000.00      32.816     -22.104      10.712   5.60 0.143 0.778 0.318 1.592     297.722     340.000       7.866   39 
-     50000       10000.00      36.429     -19.496      16.933   6.57 0.143 0.750 0.398 2.323     330.501     340.000       7.322   39 
-     60000       12000.00      31.390     -15.298      16.091   5.73 0.071 0.857 0.429 1.293     284.785     340.000       6.923   39 
-     70000       14000.00      28.528     -15.865      12.663   6.38 0.071 0.800 0.482 1.217     258.820     340.000       8.146   39 
-     80000       16000.00      45.726     -36.788       8.937   7.11 0.214 0.750 0.235 2.827     414.846     340.000       7.290   39 
-     90000       18000.00      30.868     -23.815       7.053   4.63 0.071 0.800 0.255 1.026     280.048     340.000       8.319   39 
-    100000       20000.00      37.800     -10.850      26.951   7.40 0.071 0.875 0.295 1.360     342.944     340.000       9.107   39 
-    110000       22000.00      36.440     -11.458      24.982   5.22 0.000 1.000 0.409 2.230     330.605     400.000       8.049   39 
-    120000       24000.00      35.336       4.940      40.276   4.61 0.071 0.800 0.355 1.701     320.588     400.000       8.572   39 
-    130000       26000.00      41.399     -16.663      24.736   4.55 0.071 0.750 0.443 1.330     375.595     400.000       8.632   39 
-    140000       28000.00      39.964       7.482      47.447   4.77 0.071 0.000 0.182 3.834     362.579     400.000       9.575   39 
-    150000       30000.00      44.047      10.327      54.375   6.63 0.071 0.667 0.197 2.649     399.622     400.000       9.202   39 
-    160000       32000.00      48.249       5.797      54.047   6.18 0.000 1.000 0.364 1.728     437.742     400.000       8.359   39 
-    170000       34000.00      33.936      10.910      44.846   9.85 0.000 1.000 0.136 1.482     307.885     400.000      12.538   39 
-    180000       36000.00      33.553     -20.200      13.353   6.31 0.143 0.750 0.455 2.310     304.412     400.000       7.933   39 
-    190000       38000.00      42.904      -7.397      35.507   7.92 0.143 0.333 0.136 3.256     389.248     400.000      11.875   39 
-    200000       40000.00      34.716       7.356      42.073   7.58 0.143 0.000 0.159 1.613     314.965     400.000      12.432   39 
-    210000       42000.00      40.503      -7.727      32.776   5.16 0.000 1.000 0.386 2.278     367.464     370.000       9.753   39 
-    220000       44000.00      32.111     -19.349      12.762   5.84 0.071 0.750 0.420 1.089     291.329     370.000       8.322   39 
-    230000       46000.00      36.461      -7.037      29.424   7.09 0.000 1.000 0.295 1.735     330.790     370.000       8.814   39 
-    240000       48000.00      30.051      -3.129      26.923   5.52 0.071 0.833 0.455 1.178     272.643     370.000       8.194   39 
-    250000       50000.00      33.224      -6.407      26.817   6.79 0.143 0.600 0.209 1.978     301.426     370.000      10.211   39 
-    260000       52000.00      46.489       3.237      49.725   6.11 0.071 0.750 0.330 3.566     421.771     370.000       9.049   39 
-    270000       54000.00      32.588     -17.299      15.289   7.00 0.071 0.875 0.239 1.356     295.656     370.000       8.193   39 
-    280000       56000.00      30.974      11.892      42.866   7.12 0.071 0.500 0.182 2.204     281.012     370.000       8.806   39 
-    290000       58000.00      41.416     -23.255      18.160   5.93 0.000 1.000 0.500 1.906     375.744     370.000       7.418   39 
-    300000       60000.00      36.463      -3.533      32.930   5.27 0.000 1.000 0.159 0.893     330.809     370.000       9.788   39 
-    310000       62000.00      31.711      -4.146      27.565   6.47 0.000 1.000 0.236 1.322     287.698     370.000       7.626   39 
-    320000       64000.00      38.097      -5.906      32.191   6.03 0.000 1.000 0.455 3.068     345.634     370.000       8.718   39 
-    330000       66000.00      29.852      -5.910      23.943   7.37 0.071 0.000 0.136 1.540     270.834     370.000      10.956   39 
-    340000       68000.00      41.768      -6.091      35.677   5.74 0.071 0.000 0.182 1.298     378.939     370.000       9.590   39 
-    350000       70000.00      43.099     -17.294      25.805   5.29 0.071 0.800 0.464 1.716     391.016     370.000       7.717   39 
-    360000       72000.00      43.542     -15.190      28.352   6.13 0.000 1.000 0.432 1.629     395.036     370.000       7.853   39 
-    370000       74000.00      28.234      -2.308      25.927   4.52 0.000   NaN   NaN 2.502     256.156     370.000       8.346   39 
-    380000       76000.00      34.755     -11.072      23.683   6.08 0.071 0.889 0.419 1.642     315.319     370.000       7.186   39 
-    390000       78000.00      37.594      -4.501      33.093   4.61 0.000 1.000 0.273 3.181     341.074     370.000       7.800   39 
-    400000       80000.00      45.350      -3.421      41.929   8.50 0.000   NaN   NaN 1.337     411.437     370.000      12.734   39 
-    410000       82000.00      39.294      -7.867      31.428   5.43 0.000 1.000 0.500 1.622     356.499     380.000       9.254   39 
-    420000       84000.00      35.458       2.365      37.823   6.04 0.000 1.000 0.500 2.327     321.695     380.000       7.995   39 
-    430000       86000.00      40.104     -10.226      29.878   5.56 0.000 1.000 0.477 2.380     363.845     380.000       9.095   39 
-    440000       88000.00      42.343     -14.305      28.038   6.00 0.000 1.000 0.227 2.694     384.162     380.000      10.729   39 
-    450000       90000.00      37.509      -6.897      30.612   8.30 0.071 0.667 0.182 1.906     340.298     380.000      11.199   39 
-    460000       92000.00      35.426      -8.569      26.857   6.35 0.000 1.000 0.443 3.465     321.405     380.000       8.131   39 
-    470000       94000.00      33.234     -21.309      11.925   5.14 0.143 0.714 0.292 1.140     301.513     380.000       7.480   39 
-    480000       96000.00      33.894      -7.196      26.698   4.52 0.071 0.667 0.152 1.605     307.507     380.000       8.784   39 
-    490000       98000.00      39.802     -10.084      29.718   7.11 0.143 0.500 0.193 2.220     361.107     380.000       9.488   39 
-    500000      100000.00      32.422      -2.683      29.739   7.92 0.071 0.000 0.136 2.094     294.153     380.000      10.921   39 
-    510000      102000.00      43.891      -2.781      41.110   5.29 0.000 1.000 0.477 1.049     398.204     380.000       9.575   39 
-    520000      104000.00      33.884      -8.848      25.037   4.60 0.071 0.500 0.182 2.749     307.414     380.000       8.924   39 
-    530000      106000.00      33.942      -2.028      31.914  11.09 0.000   NaN   NaN 2.584     307.939     380.000      14.616   39 
-    540000      108000.00      39.040     -12.495      26.545   6.64 0.000 1.000 0.273 1.865     354.191     380.000       8.383   39 
-    550000      110000.00      45.549     -12.408      33.141   6.00 0.071 0.000 0.136 1.194     413.243     380.000       8.984   39 
-    560000      112000.00      35.894     -24.026      11.868   5.25 0.143 0.500 0.500 2.492     325.652     380.000       8.614   39 
-    570000      114000.00      34.795     -16.185      18.610   6.05 0.071 0.000 0.136 2.000     315.678     380.000       8.644   39 
-    580000      116000.00      41.238      -6.706      34.531   7.45 0.071 0.000 0.136 1.707     374.129     380.000      12.355   39 
-    590000      118000.00      39.078      -6.064      33.014  11.27 0.000   NaN   NaN 1.677     354.537     380.000      14.811   39 
-    600000      120000.00      36.402      -7.851      28.551   5.19 0.071 0.500 0.364 1.747     330.258     380.000       9.407   39 
-    610000      122000.00      24.178      -6.646      17.533   5.80 0.143 0.500 0.182 1.971     219.356     370.000      10.527   39 
-    620000      124000.00      31.261      -9.459      21.803   9.35 0.000   NaN   NaN 1.542     283.619     370.000      12.594   39 
-    630000      126000.00      34.922      -7.070      27.852   5.64 0.143 0.714 0.526 2.312     316.829     370.000       8.597   39 
-    640000      128000.00      40.734       3.327      44.061   5.16 0.143 0.600 0.436 2.302     369.560     370.000       9.174   39 
-    650000      130000.00      39.034      -6.241      32.793   7.14 0.143 0.667 0.189 1.218     354.133     370.000       7.916   39 
-    660000      132000.00      36.432      -9.868      26.564   5.16 0.143 0.667 0.432 2.177     330.530     370.000       7.578   39 
-    670000      134000.00      38.547     -22.593      15.954   6.32 0.071 0.750 0.318 2.159     349.722     370.000       8.330   39 
-    680000      136000.00      36.060     -13.907      22.153   5.36 0.000 1.000 0.530 2.147     327.153     370.000       8.127   39 
-    690000      138000.00      39.924      -7.780      32.143   6.64 0.000 1.000 0.391 2.225     362.210     370.000       9.668   39 
-    700000      140000.00      46.638      -5.711      40.927   7.05 0.143 0.333 0.182 2.694     423.125     370.000       9.149   39 
-    710000      142000.00      28.897      -8.609      20.288   8.25 0.143 0.333 0.182 1.492     262.167     360.000      10.432   39 
-    720000      144000.00      38.229     -14.246      23.982   4.42 0.071 0.750 0.602 1.612     346.829     360.000       7.811   39 
-    730000      146000.00      35.087       0.163      35.250   4.57 0.143 0.714 0.364 1.897     318.329     360.000       7.928   39 
-    740000      148000.00      36.300     -15.602      20.698   6.88 0.000 1.000 0.236 2.519     329.328     360.000       8.060   39 
-    750000      150000.00      38.036      -5.246      32.789   6.78 0.143 0.800 0.341 2.262     345.078     360.000       7.682   39 
-    760000      152000.00      30.351      -5.090      25.260   7.76 0.071 0.667 0.227 0.788     275.356     360.000       8.581   39 
-    770000      154000.00      37.219     -19.221      17.998   4.77 0.286 0.333 0.424 0.867     337.667     360.000       8.016   39 
-    780000      156000.00      31.524      -7.445      24.079   7.84 0.071 0.500 0.205 4.701     286.002     360.000      11.282   39 
-    790000      158000.00      31.139     -13.767      17.371   6.20 0.071 0.833 0.455 1.477     282.505     360.000       7.629   39 
-    800000      160000.00      36.498      -7.315      29.183   7.24 0.143 0.600 0.191 1.362     331.128     360.000       8.410   39 
-    810000      162000.00      29.279     -15.873      13.405   4.29 0.071 0.833 0.402 3.257     265.631     360.000       7.581   39 
-    820000      164000.00      44.496      -4.381      40.115   6.38 0.000 1.000 0.333 2.152     403.687     360.000       9.625   39 
-    830000      166000.00      40.846     -24.563      16.282   5.59 0.143 0.667 0.424 1.390     370.573     360.000       7.807   39 
-    840000      168000.00      26.204     -18.930       7.273   4.11 0.071 0.857 0.442 2.222     237.732     360.000       8.505   39 
-    850000      170000.00      32.164     -10.266      21.897   7.39 0.143 0.500 0.250 2.346     291.805     360.000       9.978   39 
-    860000      172000.00      32.506     -16.713      15.793   6.84 0.143 0.600 0.255 2.277     294.914     360.000       8.286   39 
-    870000      174000.00      37.855      -5.548      32.307   6.69 0.000 1.000 0.250 1.225     343.441     360.000      10.194   39 
-    880000      176000.00      32.752      -7.917      24.835   4.40 0.071 0.667 0.197 1.020     297.141     360.000       8.465   39 
-    890000      178000.00      39.455       4.488      43.943   4.83 0.000   NaN   NaN 1.070     357.954     360.000       9.697   39 
-    900000      180000.00      39.761      -6.905      32.856   8.38 0.000   NaN   NaN 1.865     360.732     360.000      13.176   39 
-    910000      182000.00      42.329       0.440      42.768   8.02 0.000 1.000 0.182 2.303     384.028     390.000      10.957   39 
-    920000      184000.00      41.967      -8.003      33.963   6.52 0.071 0.857 0.292 1.346     380.745     390.000       8.368   39 
-    930000      186000.00      31.734      -9.991      21.743   4.71 0.214 0.625 0.375 1.400     287.908     390.000       7.598   39 
-    940000      188000.00      38.317      -0.684      37.633   6.30 0.000 1.000 0.136 1.585     347.632     390.000      11.423   39 
-    950000      190000.00      41.252       0.370      41.622   7.88 0.071 0.000 0.136 3.348     374.260     390.000      11.711   39 
-    960000      192000.00      30.124       0.432      30.556   5.95 0.000 1.000 0.682 2.053     273.299     390.000       8.764   39 
-    970000      194000.00      47.169     -10.996      36.173  12.15 0.000   NaN   NaN 1.799     427.941     390.000      15.351   39 
-    980000      196000.00      43.913      -6.403      37.510   5.97 0.000 1.000 0.159 3.095     398.404     390.000       9.064   39 
-    990000      198000.00      38.056      -0.174      37.882   4.17 0.000   NaN   NaN 1.985     345.259     390.000       8.783   39 
-   1000000      200000.00      32.116      -2.314      29.802   9.91 0.071 0.500 0.159 2.676     291.375     390.000      13.002   39 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB040.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB040.stat
deleted file mode 100644
index 0bc7b94..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB040.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      34.153      20.978      55.130  12.87 0.000   NaN   NaN 0.932     309.850     350.000      15.552   40 
-     10000        2000.00      44.717      -4.413      40.304   6.67 0.071 0.000 0.136 1.274     405.695     350.000      10.587   40 
-     20000        4000.00      35.999      -6.126      29.873   4.74 0.143 0.500 0.261 1.080     326.599     350.000       8.247   40 
-     30000        6000.00      25.343     -20.227       5.116   5.47 0.143 0.600 0.391 1.800     229.925     350.000       8.684   40 
-     40000        8000.00      32.598     -21.692      10.906   5.59 0.000 1.000 0.333 1.810     295.744     350.000       7.740   40 
-     50000       10000.00      31.744     -20.982      10.762   5.20 0.143 0.600 0.300 1.530     288.001     350.000       8.760   40 
-     60000       12000.00      29.890     -18.789      11.101   4.65 0.143 0.750 0.341 1.470     271.174     350.000       7.709   40 
-     70000       14000.00      42.700     -17.041      25.658   6.61 0.143 0.846 0.364 2.026     387.394     350.000       6.838   40 
-     80000       16000.00      42.237      -0.534      41.703   5.61 0.071 0.667 0.348 1.240     383.199     350.000       8.509   40 
-     90000       18000.00      34.973     -16.418      18.555   5.78 0.000 1.000 0.205 2.591     317.291     350.000       8.144   40 
-    100000       20000.00      38.841     -20.172      18.669   6.77 0.143 0.750 0.301 1.148     352.383     350.000       7.116   40 
-    110000       22000.00      38.543     -31.252       7.291   6.04 0.143 0.800 0.445 2.489     349.679     340.000       6.971   40 
-    120000       24000.00      32.980     -15.366      17.614   6.13 0.000 1.000 0.614 1.326     299.208     340.000       8.465   40 
-    130000       26000.00      34.141     -26.123       8.019   5.31 0.214 0.571 0.273 1.242     309.746     340.000       7.942   40 
-    140000       28000.00      38.363     -20.625      17.738   3.82 0.143 0.714 0.325 1.385     348.050     340.000       7.513   40 
-    150000       30000.00      35.853     -27.544       8.309   5.59 0.143 0.818 0.302 2.100     325.274     340.000       7.125   40 
-    160000       32000.00      33.183     -17.118      16.065   5.20 0.143 0.714 0.312 2.128     301.052     340.000       7.642   40 
-    170000       34000.00      28.763     -15.517      13.246   5.61 0.071 0.833 0.311 4.305     260.955     340.000       7.173   40 
-    180000       36000.00      36.241     -27.644       8.598   5.38 0.143 0.800 0.286 2.023     328.800     340.000       8.001   40 
-    190000       38000.00      34.093     -16.476      17.617   6.46 0.071 0.750 0.398 3.263     309.314     340.000       8.112   40 
-    200000       40000.00      39.997     -20.860      19.136   4.84 0.214 0.400 0.218 2.018     362.871     340.000       8.495   40 
-    210000       42000.00      26.934     -26.646       0.288   5.26 0.143 0.714 0.253 1.424     244.358     340.000       7.631   40 
-    220000       44000.00      36.178     -17.991      18.188   4.88 0.143 0.000 0.159 2.004     328.229     340.000       9.515   40 
-    230000       46000.00      39.970     -30.596       9.374   6.36 0.143 0.833 0.307 1.667     362.630     340.000       7.055   40 
-    240000       48000.00      33.527      -9.501      24.026   4.24 0.143 0.714 0.390 2.056     304.171     340.000       8.395   40 
-    250000       50000.00      35.221     -17.016      18.205   6.24 0.071 0.667 0.227 1.535     319.540     340.000       7.801   40 
-    260000       52000.00      29.220     -27.082       2.138   5.36 0.143 0.714 0.325 3.311     265.100     340.000       7.098   40 
-    270000       54000.00      38.005      -3.415      34.589   4.12 0.286 0.429 0.403 2.075     344.799     340.000       7.837   40 
-    280000       56000.00      30.839     -18.296      12.543   3.78 0.214 0.500 0.220 1.948     279.789     340.000       8.229   40 
-    290000       58000.00      32.058     -18.446      13.612   5.85 0.214 0.500 0.364 0.815     290.844     340.000       7.872   40 
-    300000       60000.00      31.538     -17.964      13.573   4.98 0.143 0.667 0.477 3.205     286.126     340.000       7.574   40 
-    310000       62000.00      33.741     -32.214       1.527   4.73 0.143 0.750 0.335 1.103     306.118     330.000       7.482   40 
-    320000       64000.00      32.421     -20.560      11.861   4.55 0.143 0.667 0.477 2.090     294.137     330.000       7.524   40 
-    330000       66000.00      31.219     -18.977      12.242   6.77 0.071 0.750 0.182 1.921     283.230     330.000       9.841   40 
-    340000       68000.00      33.272     -13.687      19.585   6.33 0.071 0.750 0.227 1.901     301.861     330.000       9.793   40 
-    350000       70000.00      30.697     -23.579       7.119   4.23 0.143 0.800 0.327 2.267     278.503     330.000       7.661   40 
-    360000       72000.00      31.356     -24.836       6.520   4.67 0.071 0.875 0.381 1.752     284.477     330.000       7.780   40 
-    370000       74000.00      26.693     -27.880      -1.187   5.41 0.071 0.750 0.318 1.731     242.173     330.000       7.758   40 
-    380000       76000.00      33.475     -16.295      17.180   3.34 0.143 0.818 0.351 2.034     303.707     330.000       6.657   40 
-    390000       78000.00      28.460     -24.213       4.247   7.65 0.071 0.857 0.344 0.945     258.208     330.000       7.000   40 
-    400000       80000.00      30.756     -27.384       3.371   7.28 0.143 0.500 0.295 1.821     279.031     330.000       7.597   40 
-    410000       82000.00      29.626     -31.053      -1.426   4.56 0.214 0.571 0.266 1.445     268.786     320.000       8.722   40 
-    420000       84000.00      38.331     -24.114      14.217   5.29 0.286 0.429 0.227 1.199     347.757     320.000       9.046   40 
-    430000       86000.00      30.328     -26.367       3.961   5.51 0.286 0.333 0.182 1.493     275.152     320.000       7.209   40 
-    440000       88000.00      31.981     -24.857       7.124   5.67 0.286 0.500 0.188 1.630     290.147     320.000       8.281   40 
-    450000       90000.00      38.604     -28.089      10.516   6.10 0.143 0.750 0.386 2.326     350.237     320.000       6.990   40 
-    460000       92000.00      27.641     -26.580       1.061   4.85 0.143 0.750 0.409 2.065     250.772     320.000       7.244   40 
-    470000       94000.00      31.308     -36.629      -5.321   5.18 0.214 0.769 0.371 2.436     284.042     320.000       7.039   40 
-    480000       96000.00      23.786     -24.270      -0.484   2.66 0.286 0.429 0.364 2.201     215.803     320.000       7.440   40 
-    490000       98000.00      33.882     -33.400       0.482   7.15 0.429 0.455 0.186 1.935     307.395     320.000       8.251   40 
-    500000      100000.00      24.335     -25.659      -1.324   7.76 0.214 0.250 0.136 1.871     220.775     320.000      10.921   40 
-    510000      102000.00      30.654     -20.784       9.871   5.14 0.143 0.714 0.286 1.223     278.112     330.000       7.809   40 
-    520000      104000.00      30.672     -13.881      16.791   5.00 0.143 0.750 0.438 1.636     278.268     330.000       7.597   40 
-    530000      106000.00      36.540     -19.630      16.910   5.97 0.071 0.875 0.381 1.371     331.510     330.000       7.537   40 
-    540000      108000.00      36.694     -12.426      24.268   4.99 0.143 0.714 0.552 1.639     332.907     330.000       7.939   40 
-    550000      110000.00      29.047     -20.763       8.284   5.34 0.000 1.000 0.273 0.842     263.531     330.000      10.045   40 
-    560000      112000.00      35.804     -24.064      11.739   3.59 0.214 0.500 0.144 1.534     324.828     330.000       8.182   40 
-    570000      114000.00      34.119     -25.145       8.974   6.14 0.214 0.625 0.239 1.597     309.547     330.000       8.028   40 
-    580000      116000.00      35.560     -15.295      20.265   5.49 0.071 0.857 0.292 1.743     322.616     330.000       8.198   40 
-    590000      118000.00      32.153     -13.042      19.111   5.86 0.000 1.000 0.432 1.348     291.712     330.000       9.742   40 
-    600000      120000.00      32.234     -24.408       7.826   6.11 0.143 0.600 0.500 1.539     292.445     330.000       7.941   40 
-    610000      122000.00      30.640     -26.805       3.834   6.57 0.071 0.800 0.627 1.067     277.979     320.000       7.769   40 
-    620000      124000.00      34.344     -23.575      10.768   7.35 0.071 0.750 0.318 0.859     311.584     320.000       8.731   40 
-    630000      126000.00      28.583     -14.337      14.246  10.01 0.071 0.000 0.136 1.793     259.321     320.000      12.722   40 
-    640000      128000.00      30.943     -27.681       3.262   5.10 0.071 0.750 0.602 1.854     280.728     320.000       7.580   40 
-    650000      130000.00      34.742     -29.249       5.493   4.54 0.071 0.750 0.284 2.122     315.201     320.000       7.710   40 
-    660000      132000.00      41.514     -36.609       4.905   4.58 0.286 0.556 0.232 2.388     376.640     320.000       7.343   40 
-    670000      134000.00      40.354     -13.152      27.201   7.71 0.214 0.250 0.148 1.240     366.111     320.000      12.246   40 
-    680000      136000.00      26.737     -28.377      -1.640   5.73 0.143 0.833 0.326 1.622     242.572     320.000       7.093   40 
-    690000      138000.00      27.236     -40.079     -12.843   3.75 0.429 0.571 0.383 2.056     247.101     320.000       6.623   40 
-    700000      140000.00      30.317     -39.455      -9.137   3.79 0.429 0.647 0.348 1.559     275.054     320.000       6.326   40 
-    710000      142000.00      30.209     -31.738      -1.529   4.14 0.214 0.750 0.443 2.773     274.069     310.000       6.935   40 
-    720000      144000.00      30.761     -39.443      -8.682   2.41 0.429 0.571 0.328 1.488     279.082     310.000       6.867   40 
-    730000      146000.00      33.689     -23.106      10.583   3.60 0.143 0.750 0.233 2.728     305.648     310.000       8.163   40 
-    740000      148000.00      34.160     -23.745      10.416   4.84 0.286 0.556 0.263 1.703     309.918     310.000       7.223   40 
-    750000      150000.00      32.151     -32.511      -0.359   3.45 0.286 0.636 0.450 2.105     291.695     310.000       7.088   40 
-    760000      152000.00      25.770     -32.563      -6.793   3.22 0.214 0.571 0.208 2.112     233.800     310.000       7.304   40 
-    770000      154000.00      32.968     -33.256      -0.288   3.88 0.071 0.857 0.539 1.724     299.106     310.000       7.188   40 
-    780000      156000.00      26.162     -36.667     -10.505   3.86 0.286 0.600 0.386 1.386     237.355     310.000       6.517   40 
-    790000      158000.00      28.213     -21.076       7.138   3.12 0.429 0.600 0.312 2.854     255.965     310.000       7.510   40 
-    800000      160000.00      31.868     -23.834       8.034   6.20 0.143 0.667 0.182 1.659     289.125     310.000       8.882   40 
-    810000      162000.00      31.916     -27.648       4.268   5.02 0.286 0.556 0.288 2.290     289.559     310.000       7.612   40 
-    820000      164000.00      29.687     -29.493       0.193   4.56 0.000 1.000 0.301 1.628     269.332     310.000       7.387   40 
-    830000      166000.00      24.099     -34.731     -10.633   5.16 0.214 0.571 0.331 1.304     218.634     310.000       7.690   40 
-    840000      168000.00      26.073     -40.532     -14.459   5.87 0.286 0.765 0.358 3.233     236.545     310.000       6.646   40 
-    850000      170000.00      29.687     -31.247      -1.559   5.26 0.071 0.900 0.386 1.154     269.338     310.000       7.110   40 
-    860000      172000.00      32.747     -24.162       8.584   5.87 0.143 0.667 0.280 1.109     297.093     310.000       7.423   40 
-    870000      174000.00      32.746     -25.408       7.339   4.99 0.143 0.818 0.335 3.240     297.093     310.000       7.037   40 
-    880000      176000.00      27.959     -42.199     -14.239   4.60 0.143 0.800 0.245 2.058     253.662     310.000       7.108   40 
-    890000      178000.00      31.558     -28.831       2.727   4.19 0.214 0.625 0.398 0.810     286.312     310.000       7.760   40 
-    900000      180000.00      27.279     -25.897       1.382   3.92 0.214 0.727 0.331 1.668     247.494     310.000       6.919   40 
-    910000      182000.00      22.022     -25.632      -3.610   4.74 0.214 0.750 0.295 1.167     199.798     300.000       7.755   40 
-    920000      184000.00      26.572     -28.485      -1.913   7.19 0.286 0.600 0.218 1.448     241.079     300.000       7.666   40 
-    930000      186000.00      33.212     -37.143      -3.932   4.39 0.143 0.818 0.252 1.383     301.314     300.000       7.283   40 
-    940000      188000.00      31.129     -44.123     -12.994   3.68 0.429 0.600 0.330 1.512     282.418     300.000       6.943   40 
-    950000      190000.00      24.775     -37.895     -13.121   3.51 0.500 0.588 0.358 2.163     224.769     300.000       6.623   40 
-    960000      192000.00      27.805     -29.166      -1.361   4.85 0.214 0.833 0.442 2.375     252.266     300.000       6.226   40 
-    970000      194000.00      31.955     -43.569     -11.613   1.93 0.357 0.615 0.231 2.125     289.915     300.000       6.641   40 
-    980000      196000.00      34.664     -37.600      -2.936   5.46 0.071 0.857 0.175 0.997     314.486     300.000       7.827   40 
-    990000      198000.00      28.214     -39.363     -11.150   5.58 0.357 0.375 0.159 1.652     255.968     300.000       8.134   40 
-   1000000      200000.00      32.019     -43.764     -11.745   1.71 0.429 0.538 0.241 2.610     290.493     300.000       6.952   40 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB041.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB041.stat
deleted file mode 100644
index ce487d0..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB041.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      36.473      20.978      57.451  12.87 0.000   NaN   NaN 0.932     330.901     350.000      15.552   41 
-     10000        2000.00      44.411     -17.640      26.771   4.14 0.143 0.667 0.348 2.826     402.919     350.000       7.496   41 
-     20000        4000.00      39.445     -19.247      20.198   4.66 0.000 1.000 0.614 1.458     357.862     350.000       8.138   41 
-     30000        6000.00      26.715      -6.366      20.349   7.63 0.143 0.333 0.167 3.215     242.370     350.000       9.244   41 
-     40000        8000.00      38.164     -17.451      20.713   5.61 0.214 0.625 0.364 3.585     346.246     350.000       8.789   41 
-     50000       10000.00      33.297     -26.866       6.431   4.31 0.214 0.727 0.450 2.428     302.092     350.000       7.304   41 
-     60000       12000.00      39.160     -10.229      28.931   5.45 0.286 0.429 0.175 2.870     355.283     350.000       9.561   41 
-     70000       14000.00      36.503     -13.941      22.562   5.56 0.214 0.250 0.148 1.224     331.172     350.000       9.394   41 
-     80000       16000.00      32.385     -20.412      11.973   4.72 0.143 0.714 0.422 1.439     293.817     350.000       8.052   41 
-     90000       18000.00      29.831      -1.840      27.991   4.82 0.071 0.500 0.159 4.536     270.645     350.000       8.878   41 
-    100000       20000.00      37.020     -13.134      23.886   5.10 0.286 0.000 0.159 2.484     335.862     350.000       8.829   41 
-    110000       22000.00      24.690      -1.300      23.390   6.71 0.000 1.000 0.182 3.696     224.003     350.000      11.039   41 
-    120000       24000.00      33.853     -16.927      16.926   4.51 0.214 0.625 0.256 1.238     307.129     350.000       7.467   41 
-    130000       26000.00      43.526     -10.369      33.157   5.23 0.000 1.000 0.727 2.314     394.889     350.000       9.211   41 
-    140000       28000.00      35.848       2.196      38.043   8.09 0.000 1.000 0.295 1.662     325.228     350.000       8.946   41 
-    150000       30000.00      24.397      -6.525      17.872   5.09 0.071 0.833 0.432 2.543     221.346     350.000       8.213   41 
-    160000       32000.00      35.832      -9.108      26.724   7.25 0.214 0.400 0.164 1.782     325.087     350.000       9.453   41 
-    170000       34000.00      29.218     -11.478      17.740   5.28 0.071 0.667 0.773 0.981     265.080     350.000       9.473   41 
-    180000       36000.00      34.556     -10.253      24.303   4.49 0.071 0.667 0.258 1.729     313.506     350.000       9.454   41 
-    190000       38000.00      35.106      -5.970      29.136   6.59 0.000   NaN   NaN 0.836     318.504     350.000      10.046   41 
-    200000       40000.00      46.327     -13.882      32.444   9.56 0.000 1.000 0.136 1.617     420.299     350.000      12.226   41 
-    210000       42000.00      31.196      -1.118      30.078   5.50 0.000 1.000 0.375 1.472     283.025     350.000       9.261   41 
-    220000       44000.00      37.354     -19.993      17.362   5.24 0.071 0.857 0.461 1.490     338.899     350.000       7.444   41 
-    230000       46000.00      31.444     -17.586      13.859   4.43 0.143 0.667 0.333 1.846     285.278     350.000       7.815   41 
-    240000       48000.00      30.573      -6.944      23.629   7.44 0.000 1.000 0.288 1.956     277.378     350.000       7.114   41 
-    250000       50000.00      44.189      -3.624      40.565   5.23 0.143 0.667 0.205 2.155     400.905     350.000       7.341   41 
-    260000       52000.00      36.354     -29.109       7.245   5.06 0.071 0.800 0.445 1.050     329.821     350.000       8.171   41 
-    270000       54000.00      30.262      -9.586      20.675   5.45 0.143 0.714 0.305 3.117     274.549     350.000       8.216   41 
-    280000       56000.00      34.334     -14.182      20.152   4.26 0.214 0.667 0.374 1.805     311.493     350.000       7.353   41 
-    290000       58000.00      31.537     -19.819      11.719   5.21 0.143 0.800 0.432 2.141     286.124     350.000       7.183   41 
-    300000       60000.00      31.496     -14.672      16.824   4.62 0.143 0.778 0.212 1.512     285.746     350.000       7.758   41 
-    310000       62000.00      30.436     -24.777       5.659   6.08 0.071 0.857 0.435 2.370     276.130     350.000       7.381   41 
-    320000       64000.00      34.358     -19.606      14.752   8.06 0.071 0.750 0.227 2.921     311.717     350.000       9.720   41 
-    330000       66000.00      33.591     -10.051      23.540   5.02 0.214 0.571 0.286 1.665     304.754     350.000       7.909   41 
-    340000       68000.00      33.623      -2.113      31.510   4.51 0.071 0.500 0.250 3.041     305.043     350.000       8.599   41 
-    350000       70000.00      31.744     -11.385      20.359   6.62 0.143 0.714 0.416 1.692     287.996     350.000       7.626   41 
-    360000       72000.00      39.500     -34.792       4.708   7.03 0.143 0.778 0.384 1.418     358.369     350.000       6.875   41 
-    370000       74000.00      39.128     -16.519      22.609   5.67 0.143 0.800 0.505 1.349     354.994     350.000       7.562   41 
-    380000       76000.00      33.714     -16.075      17.639   5.56 0.143 0.333 0.576 1.999     305.869     350.000       8.677   41 
-    390000       78000.00      36.510     -14.888      21.622   7.41 0.071 0.667 0.136 4.534     331.238     350.000       9.354   41 
-    400000       80000.00      37.197     -17.410      19.787   5.40 0.214 0.700 0.309 0.945     337.471     350.000       8.075   41 
-    410000       82000.00      30.823     -21.875       8.948   5.96 0.214 0.700 0.318 1.042     279.641     330.000       7.197   41 
-    420000       84000.00      34.453     -16.423      18.030   5.55 0.000 1.000 0.470 1.658     312.575     330.000       8.577   41 
-    430000       86000.00      28.875     -15.419      13.456   5.20 0.071 0.875 0.267 1.229     261.969     330.000       7.024   41 
-    440000       88000.00      32.369     -25.048       7.321   4.63 0.143 0.750 0.330 1.433     293.665     330.000       7.156   41 
-    450000       90000.00      39.909     -23.341      16.568   5.22 0.000 1.000 0.530 2.067     362.071     330.000       7.999   41 
-    460000       92000.00      37.610     -23.592      14.018   6.20 0.143 0.667 0.205 1.279     341.215     330.000       9.044   41 
-    470000       94000.00      31.752     -18.459      13.293   4.20 0.143 0.667 0.326 3.490     288.075     330.000       7.991   41 
-    480000       96000.00      38.046     -25.707      12.340   5.37 0.214 0.400 0.355 1.538     345.175     330.000       8.579   41 
-    490000       98000.00      30.158     -26.322       3.835   6.31 0.214 0.700 0.350 1.374     273.607     330.000       7.581   41 
-    500000      100000.00      27.284     -29.152      -1.868   5.30 0.286 0.500 0.250 1.625     247.535     330.000       7.790   41 
-    510000      102000.00      31.389     -32.828      -1.439   4.87 0.214 0.571 0.273 1.179     284.780     320.000       7.515   41 
-    520000      104000.00      34.658     -28.819       5.840   5.58 0.214 0.571 0.377 0.948     314.439     320.000       7.274   41 
-    530000      106000.00      27.884     -30.137      -2.253   6.47 0.071 0.800 0.427 1.515     252.978     320.000       7.689   41 
-    540000      108000.00      32.490     -35.437      -2.947   5.48 0.286 0.714 0.286 1.246     294.770     320.000       6.802   41 
-    550000      110000.00      34.721     -25.355       9.366   6.28 0.214 0.500 0.250 1.737     315.005     320.000       9.525   41 
-    560000      112000.00      30.825     -24.154       6.671   4.06 0.143 0.714 0.318 1.438     279.659     320.000       8.400   41 
-    570000      114000.00      27.840     -34.268      -6.428   3.88 0.286 0.667 0.413 1.461     252.578     320.000       7.032   41 
-    580000      116000.00      27.162     -43.738     -16.576   3.58 0.286 0.636 0.326 1.441     246.427     320.000       6.713   41 
-    590000      118000.00      29.998     -40.058     -10.060   4.91 0.286 0.600 0.441 1.433     272.158     320.000       6.785   41 
-    600000      120000.00      27.258     -26.224       1.035   4.16 0.286 0.500 0.330 1.961     247.299     320.000       7.283   41 
-    610000      122000.00      35.583     -26.713       8.870   3.91 0.214 0.667 0.313 1.771     322.825     310.000       7.179   41 
-    620000      124000.00      33.826     -35.470      -1.644   6.07 0.286 0.733 0.412 4.002     306.890     310.000       6.754   41 
-    630000      126000.00      33.064     -28.909       4.156   4.72 0.143 0.778 0.444 1.844     299.977     310.000       7.364   41 
-    640000      128000.00      25.278     -23.499       1.779   5.10 0.071 0.889 0.348 1.949     229.332     310.000       7.068   41 
-    650000      130000.00      32.891     -20.882      12.009   5.08 0.214 0.500 0.174 1.860     298.403     310.000       8.684   41 
-    660000      132000.00      27.607     -26.728       0.879   3.56 0.357 0.545 0.248 2.130     250.464     310.000       7.283   41 
-    670000      134000.00      26.316     -42.468     -16.152   6.59 0.286 0.733 0.330 1.075     238.756     310.000       6.540   41 
-    680000      136000.00      44.134     -31.168      12.966   6.63 0.214 0.750 0.280 1.897     400.404     310.000       7.118   41 
-    690000      138000.00      37.062     -35.188       1.874   5.42 0.286 0.714 0.380 2.054     336.242     310.000       6.807   41 
-    700000      140000.00      25.354     -26.643      -1.289   6.13 0.214 0.667 0.354 1.198     230.023     310.000       6.933   41 
-    710000      142000.00      27.949     -36.499      -8.550   4.73 0.214 0.700 0.264 2.667     253.563     310.000       7.118   41 
-    720000      144000.00      34.078     -40.150      -6.071   5.74 0.071 0.909 0.413 1.358     309.177     310.000       7.101   41 
-    730000      146000.00      34.116     -33.194       0.921   5.17 0.143 0.778 0.359 2.639     309.515     310.000       6.920   41 
-    740000      148000.00      32.128     -27.262       4.866   4.07 0.357 0.375 0.188 2.022     291.478     310.000       7.958   41 
-    750000      150000.00      37.853     -34.868       2.985   5.64 0.214 0.700 0.205 1.356     343.424     310.000       8.506   41 
-    760000      152000.00      25.973     -34.497      -8.524   7.51 0.286 0.556 0.187 1.176     235.640     310.000       7.833   41 
-    770000      154000.00      27.728     -43.442     -15.715   4.56 0.357 0.643 0.302 2.300     251.559     310.000       7.083   41 
-    780000      156000.00      35.736     -39.593      -3.857   4.64 0.286 0.636 0.393 1.546     324.217     310.000       7.773   41 
-    790000      158000.00      31.990     -27.540       4.450   5.29 0.214 0.571 0.247 3.373     290.228     310.000       7.063   41 
-    800000      160000.00      25.028     -43.799     -18.770   5.19 0.143 0.800 0.264 1.431     227.068     310.000       7.308   41 
-    810000      162000.00      29.245     -47.867     -18.622   2.92 0.429 0.500 0.265 1.021     265.325     300.000       7.034   41 
-    820000      164000.00      34.208     -42.311      -8.103   2.90 0.357 0.615 0.357 1.294     310.350     300.000       7.004   41 
-    830000      166000.00      30.064     -27.049       3.014   3.49 0.214 0.667 0.192 1.749     272.752     300.000       7.861   41 
-    840000      168000.00      26.965     -32.014      -5.050   5.56 0.286 0.333 0.212 1.223     244.637     300.000       8.057   41 
-    850000      170000.00      27.369     -32.424      -5.055   3.62 0.214 0.625 0.244 2.464     248.307     300.000       7.362   41 
-    860000      172000.00      32.861     -35.148      -2.287   2.65 0.429 0.571 0.386 1.580     298.131     300.000       6.636   41 
-    870000      174000.00      29.448     -39.128      -9.679   3.01 0.357 0.643 0.247 1.283     267.172     300.000       6.841   41 
-    880000      176000.00      28.003     -39.379     -11.376   4.02 0.357 0.583 0.205 2.097     254.058     300.000       7.832   41 
-    890000      178000.00      30.948     -33.519      -2.571   2.78 0.429 0.625 0.287 1.345     280.779     300.000       6.711   41 
-    900000      180000.00      27.951     -29.336      -1.385   3.16 0.214 0.750 0.371 1.010     253.587     300.000       7.331   41 
-    910000      182000.00      24.583     -31.751      -7.168   6.13 0.143 0.800 0.373 1.196     223.029     330.000       7.177   41 
-    920000      184000.00      31.287     -35.800      -4.512   5.91 0.143 0.800 0.377 1.719     283.855     330.000       6.610   41 
-    930000      186000.00      30.045     -24.661       5.384   4.63 0.143 0.667 0.167 1.475     272.581     330.000       7.381   41 
-    940000      188000.00      26.258     -17.284       8.974   6.82 0.071 0.875 0.562 2.755     238.227     330.000       7.362   41 
-    950000      190000.00      29.739     -27.092       2.647   6.84 0.286 0.556 0.268 1.743     269.808     330.000       7.411   41 
-    960000      192000.00      33.855     -18.776      15.078   5.63 0.143 0.750 0.420 2.454     307.147     330.000       7.603   41 
-    970000      194000.00      32.710     -25.167       7.543   5.62 0.286 0.333 0.242 2.311     296.761     330.000       8.137   41 
-    980000      196000.00      34.895     -17.186      17.709   5.05 0.071 0.667 0.167 1.187     316.581     330.000       9.132   41 
-    990000      198000.00      33.140     -25.073       8.067   4.27 0.286 0.556 0.182 0.987     300.664     330.000       8.573   41 
-   1000000      200000.00      31.324     -21.044      10.280   5.68 0.143 0.500 0.159 1.827     284.184     330.000       9.189   41 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB042.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB042.stat
deleted file mode 100644
index 5aafd85..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB042.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.882      20.978      61.860  12.87 0.000   NaN   NaN 0.932     370.901     350.000      15.552   42 
-     10000        2000.00      28.150     -17.047      11.102   4.89 0.000 1.000 0.482 1.145     255.388     350.000       8.178   42 
-     20000        4000.00      38.042     -13.473      24.569   5.51 0.071 0.667 0.227 2.183     345.138     350.000       8.857   42 
-     30000        6000.00      28.168     -27.835       0.333   6.15 0.071 0.833 0.348 1.653     255.558     350.000       7.886   42 
-     40000        8000.00      26.992     -16.908      10.083   5.99 0.071 0.750 0.330 2.346     244.884     350.000       8.441   42 
-     50000       10000.00      31.401     -24.235       7.166   3.90 0.214 0.500 0.273 1.323     284.883     350.000       8.652   42 
-     60000       12000.00      28.491     -12.184      16.307   3.83 0.071 0.833 0.417 2.974     258.487     350.000       7.300   42 
-     70000       14000.00      32.731     -19.766      12.965   4.39 0.071 0.667 0.545 1.452     296.950     350.000       8.843   42 
-     80000       16000.00      49.126     -15.413      33.713   6.96 0.071 0.857 0.266 2.398     445.698     350.000       8.291   42 
-     90000       18000.00      39.628     -14.117      25.511   4.34 0.214 0.625 0.330 0.887     359.528     350.000       7.592   42 
-    100000       20000.00      29.855      -5.581      24.275   8.11 0.143 0.500 0.148 1.678     270.864     350.000      12.120   42 
-    110000       22000.00      30.569      -6.071      24.498   9.91 0.143 0.333 0.152 2.129     277.341     380.000      13.175   42 
-    120000       24000.00      39.479      -4.910      34.569   6.60 0.143 0.500 0.580 1.933     358.170     380.000       7.816   42 
-    130000       26000.00      33.630     -16.535      17.094   6.35 0.071 0.875 0.227 1.310     305.105     380.000       7.947   42 
-    140000       28000.00      34.422      -7.979      26.444   6.35 0.143 0.714 0.273 1.887     312.296     380.000       7.862   42 
-    150000       30000.00      27.771     -13.057      14.714   7.87 0.071 0.667 0.197 1.719     251.949     380.000      11.866   42 
-    160000       32000.00      39.418       8.617      48.035  10.14 0.000   NaN   NaN 2.475     357.619     380.000      13.570   42 
-    170000       34000.00      25.886      -5.552      20.334   5.78 0.143 0.500 0.193 1.636     234.850     380.000       8.206   42 
-    180000       36000.00      37.829      -8.987      28.842   8.23 0.143 0.500 0.170 1.470     343.208     380.000       9.921   42 
-    190000       38000.00      25.626      -0.512      25.114   5.95 0.000 1.000 0.432 2.241     232.491     380.000       9.149   42 
-    200000       40000.00      49.555      -5.014      44.541   6.56 0.071 0.667 0.152 1.997     449.585     380.000      10.722   42 
-    210000       42000.00      37.745     -29.800       7.945   5.74 0.071 0.900 0.245 1.452     342.444     350.000       7.908   42 
-    220000       44000.00      28.252     -25.763       2.489   5.19 0.214 0.727 0.314 2.406     256.319     350.000       8.733   42 
-    230000       46000.00      31.743      -4.047      27.696   6.83 0.000 1.000 0.182 1.490     287.993     350.000       9.260   42 
-    240000       48000.00      31.615      -6.544      25.071   6.51 0.071 0.875 0.409 1.716     286.828     350.000       8.818   42 
-    250000       50000.00      33.067      -0.975      32.092   7.94 0.071 0.000 0.182 2.388     300.000     350.000      11.776   42 
-    260000       52000.00      34.599     -12.444      22.156   4.34 0.286 0.200 0.282 2.778     313.901     350.000       8.626   42 
-    270000       54000.00      34.994     -12.525      22.470   7.33 0.071 0.833 0.295 2.020     317.488     350.000       8.970   42 
-    280000       56000.00      33.048      -8.169      24.880   5.67 0.071 0.500 0.727 1.700     299.832     350.000       9.556   42 
-    290000       58000.00      40.998     -12.924      28.074   5.98 0.214 0.400 0.455 1.027     371.954     350.000       7.358   42 
-    300000       60000.00      34.527     -22.592      11.935   3.98 0.071 0.889 0.338 1.926     313.244     350.000       7.520   42 
-    310000       62000.00      39.610     -18.810      20.800   4.85 0.000 1.000 0.400 1.560     359.363     340.000       8.815   42 
-    320000       64000.00      27.542     -18.129       9.413   6.83 0.000 1.000 0.318 0.822     249.879     340.000       8.381   42 
-    330000       66000.00      28.878      -9.096      19.783   5.14 0.000 1.000 0.273 1.707     261.999     340.000       9.387   42 
-    340000       68000.00      40.095     -22.621      17.474   6.75 0.071 0.875 0.386 2.133     363.761     340.000       7.325   42 
-    350000       70000.00      34.259     -17.055      17.203   6.14 0.071 0.000 0.136 2.656     310.811     340.000       9.932   42 
-    360000       72000.00      35.307     -23.343      11.964   6.67 0.214 0.500 0.212 1.215     320.322     340.000       7.329   42 
-    370000       74000.00      30.815     -12.742      18.073   6.97 0.143 0.333 0.152 2.023     279.571     340.000       9.508   42 
-    380000       76000.00      37.950     -12.988      24.962   6.05 0.071 0.500 0.250 0.921     344.299     340.000      10.172   42 
-    390000       78000.00      34.461     -12.623      21.839   5.95 0.071 0.750 0.455 1.475     312.652     340.000       8.893   42 
-    400000       80000.00      41.330     -16.358      24.972   5.55 0.143 0.500 0.307 0.934     374.964     340.000       9.104   42 
-    410000       82000.00      39.871      -6.397      33.474   7.77 0.000 1.000 0.295 2.622     361.731     400.000      10.236   42 
-    420000       84000.00      46.385      10.395      56.780   7.55 0.000 1.000 0.136 2.534     420.830     400.000      12.501   42 
-    430000       86000.00      46.503      -3.447      43.056   6.58 0.071 0.750 0.239 2.676     421.899     400.000       8.344   42 
-    440000       88000.00      41.719      -1.837      39.881   7.69 0.000 1.000 0.295 1.500     378.493     400.000      10.447   42 
-    450000       90000.00      37.789       5.290      43.079   8.23 0.071 0.000 0.182 1.400     342.841     400.000      10.680   42 
-    460000       92000.00      43.429      -8.059      35.370   6.41 0.071 0.750 0.182 1.312     394.013     400.000       7.734   42 
-    470000       94000.00      41.504      -4.389      37.115   9.78 0.000   NaN   NaN 2.338     376.545     400.000      13.562   42 
-    480000       96000.00      36.030      -8.106      27.924   6.46 0.000 1.000 0.386 1.270     326.884     400.000       9.942   42 
-    490000       98000.00      42.879     -13.910      28.969   5.68 0.000 1.000 0.364 2.588     389.024     400.000       9.163   42 
-    500000      100000.00      43.326     -11.073      32.253   5.37 0.214 0.667 0.258 1.566     393.073     400.000       8.083   42 
-    510000      102000.00      36.184       8.368      44.552   9.56 0.000   NaN   NaN 1.418     328.282     400.000      11.995   42 
-    520000      104000.00      46.971     -10.824      36.148  10.12 0.071 0.000 0.136 1.656     426.149     400.000      13.982   42 
-    530000      106000.00      39.156       5.845      45.001   8.27 0.000   NaN   NaN 1.935     355.244     400.000      12.074   42 
-    540000      108000.00      43.126      -6.906      36.220   6.53 0.071 0.750 0.580 1.758     391.262     400.000       8.252   42 
-    550000      110000.00      57.176      -1.584      55.592   5.19 0.071 0.800 0.355 1.245     518.734     400.000       9.554   42 
-    560000      112000.00      32.780     -16.944      15.836   5.73 0.214 0.500 0.273 1.823     297.398     400.000       7.087   42 
-    570000      114000.00      37.282      -7.614      29.668   5.81 0.071 0.000 0.182 1.915     338.240     400.000      10.119   42 
-    580000      116000.00      40.294      -9.707      30.587   4.57 0.143 0.667 0.561 2.142     365.569     400.000       8.240   42 
-    590000      118000.00      32.056     -18.832      13.224   5.14 0.071 0.750 0.398 1.665     290.831     400.000       8.191   42 
-    600000      120000.00      37.772      -6.146      31.626   5.53 0.071 0.667 0.197 2.086     342.686     400.000       9.535   42 
-    610000      122000.00      33.058      -3.822      29.236   4.63 0.143 0.500 0.170 3.060     299.921     380.000       8.364   42 
-    620000      124000.00      42.483     -15.474      27.009   6.68 0.000 1.000 0.239 1.118     385.430     380.000       8.864   42 
-    630000      126000.00      34.923      -0.631      34.292   4.38 0.143 0.333 0.152 2.182     316.837     380.000       9.212   42 
-    640000      128000.00      36.019       1.558      37.577   8.70 0.071 0.000 0.136 2.352     326.780     380.000      11.996   42 
-    650000      130000.00      33.983      -6.968      27.015   6.30 0.000 1.000 0.553 1.654     308.315     380.000       8.270   42 
-    660000      132000.00      38.298      26.579      64.877   5.11 0.000 1.000 0.364 3.625     347.460     380.000       9.128   42 
-    670000      134000.00      34.448      -6.249      28.199   6.15 0.143 0.667 0.182 2.856     312.532     380.000       8.760   42 
-    680000      136000.00      33.567     -10.852      22.716   8.77 0.000 1.000 0.182 2.003     304.539     380.000      11.339   42 
-    690000      138000.00      37.521      -1.393      36.128   5.41 0.000 1.000 0.727 2.061     340.412     380.000       7.664   42 
-    700000      140000.00      32.658     -10.773      21.884   4.92 0.071 0.667 0.227 1.258     296.286     380.000       8.885   42 
-    710000      142000.00      38.349      -6.860      31.489   4.56 0.000 1.000 0.364 1.415     347.921     380.000       8.439   42 
-    720000      144000.00      37.033       0.911      37.944   6.72 0.000 1.000 0.364 1.862     335.982     380.000       8.001   42 
-    730000      146000.00      46.864      -5.909      40.954   6.98 0.000 1.000 0.182 1.248     425.172     380.000      11.510   42 
-    740000      148000.00      36.718      -4.814      31.904   5.93 0.000 1.000 0.182 2.873     333.125     380.000       9.857   42 
-    750000      150000.00      40.460      -9.808      30.652   5.10 0.000 1.000 0.485 2.134     367.075     380.000       8.675   42 
-    760000      152000.00      34.083     -10.042      24.041   6.46 0.000 1.000 0.227 1.069     309.214     380.000       8.902   42 
-    770000      154000.00      34.783      -7.350      27.433   5.95 0.000 1.000 0.205 1.050     315.572     380.000       7.782   42 
-    780000      156000.00      40.214     -11.995      28.219   5.46 0.071 0.500 0.386 1.596     364.840     380.000       9.370   42 
-    790000      158000.00      43.170     -17.259      25.911   5.78 0.000 1.000 0.500 1.933     391.658     380.000       9.473   42 
-    800000      160000.00      27.669      -3.098      24.571   5.23 0.071 0.750 0.330 1.521     251.024     380.000       8.988   42 
-    810000      162000.00      43.885       6.433      50.318   5.13 0.000   NaN   NaN 2.156     398.144     400.000       9.465   42 
-    820000      164000.00      40.836      -7.265      33.571   5.94 0.000 1.000 0.273 2.473     370.486     400.000       8.912   42 
-    830000      166000.00      43.265      13.633      56.898   5.01 0.071 0.500 0.159 1.449     392.522     400.000       9.621   42 
-    840000      168000.00      40.393       4.279      44.673   9.47 0.000   NaN   NaN 1.190     366.470     400.000      12.650   42 
-    850000      170000.00      42.443       5.221      47.664   6.74 0.000   NaN   NaN 2.061     385.062     400.000      10.390   42 
-    860000      172000.00      32.433     -14.586      17.847   4.94 0.071 0.667 0.500 2.753     294.252     400.000       8.980   42 
-    870000      174000.00      40.762      10.845      51.607   7.12 0.071 0.500 0.159 1.766     369.813     400.000      11.229   42 
-    880000      176000.00      36.529       3.126      39.655   8.32 0.071 0.500 0.136 2.101     331.409     400.000      10.284   42 
-    890000      178000.00      44.742      -0.783      43.959   4.67 0.143 0.500 0.295 1.647     405.923     400.000       8.418   42 
-    900000      180000.00      42.431      -1.622      40.810   9.09 0.000 1.000 0.295 1.037     384.958     400.000      11.867   42 
-    910000      182000.00      36.966       4.125      41.090   5.48 0.071 0.667 0.379 2.814     335.370     400.000       7.881   42 
-    920000      184000.00      35.104       3.367      38.471   7.21 0.000   NaN   NaN 1.861     318.482     400.000       9.127   42 
-    930000      186000.00      42.439      14.290      56.728  11.03 0.000   NaN   NaN 3.389     385.026     400.000      14.323   42 
-    940000      188000.00      39.842      -4.407      35.435   6.00 0.000 1.000 0.523 2.209     361.466     400.000       7.871   42 
-    950000      190000.00      39.439      -5.058      34.381   6.21 0.143 0.500 0.227 1.114     357.813     400.000       8.971   42 
-    960000      192000.00      37.783       7.038      44.821   5.12 0.071 0.500 0.795 1.977     342.789     400.000       9.082   42 
-    970000      194000.00      44.786       9.634      54.420   5.36 0.071 0.500 0.182 2.527     406.323     400.000       9.812   42 
-    980000      196000.00      31.349       0.262      31.611   7.23 0.071 0.500 0.159 2.963     284.415     400.000      11.232   42 
-    990000      198000.00      40.941       2.772      43.713  10.71 0.000   NaN   NaN 1.386     371.436     400.000      14.432   42 
-   1000000      200000.00      41.458      -2.331      39.128   8.62 0.000   NaN   NaN 1.287     376.133     400.000      13.219   42 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB043.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB043.stat
deleted file mode 100644
index 6d00791..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB043.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      37.806      20.978      58.784  12.87 0.000   NaN   NaN 0.932     342.999     350.000      15.552   43 
-     10000        2000.00      30.850       2.735      33.584   8.45 0.071 0.667 0.197 1.920     279.883     350.000      11.774   43 
-     20000        4000.00      38.879     -16.365      22.515   6.30 0.000 1.000 0.197 1.481     352.733     350.000       9.017   43 
-     30000        6000.00      32.754     -12.191      20.563   7.18 0.071 0.750 0.318 2.278     297.162     350.000       9.550   43 
-     40000        8000.00      40.466      -2.593      37.873  10.52 0.000   NaN   NaN 1.827     367.126     350.000      13.919   43 
-     50000       10000.00      34.604      -4.267      30.337   6.25 0.071 0.667 0.182 2.281     313.942     350.000      10.276   43 
-     60000       12000.00      37.974      -9.975      27.998   6.90 0.143 0.500 0.307 1.583     344.519     350.000       9.921   43 
-     70000       14000.00      36.172      -0.969      35.203   5.44 0.000   NaN   NaN 2.136     328.173     350.000       9.714   43 
-     80000       16000.00      28.552      -8.595      19.957   5.97 0.000 1.000 0.273 1.291     259.040     350.000       9.947   43 
-     90000       18000.00      33.595      -1.742      31.854   9.92 0.071 0.000 0.136 2.165     304.793     350.000      14.341   43 
-    100000       20000.00      36.382     -19.843      16.539   2.92 0.286 0.556 0.308 3.920     330.080     350.000       7.258   43 
-    110000       22000.00      34.750     -28.980       5.769   2.39 0.286 0.429 0.292 2.063     315.268     330.000       7.610   43 
-    120000       24000.00      31.062     -20.114      10.948   5.70 0.143 0.778 0.207 1.535     281.809     330.000       8.436   43 
-    130000       26000.00      34.370     -33.415       0.955   4.54 0.286 0.556 0.338 1.632     311.822     330.000       7.493   43 
-    140000       28000.00      30.717     -43.115     -12.399   5.42 0.143 0.846 0.381 2.041     278.676     330.000       6.930   43 
-    150000       30000.00      29.445     -18.208      11.237   5.09 0.000 1.000 0.545 2.258     267.137     330.000       7.392   43 
-    160000       32000.00      30.499      -9.380      21.119   6.08 0.143 0.750 0.193 2.088     276.705     330.000       8.728   43 
-    170000       34000.00      38.528     -22.607      15.921   4.65 0.286 0.636 0.384 1.655     349.546     330.000       8.753   43 
-    180000       36000.00      28.729     -22.030       6.699   4.34 0.143 0.667 0.470 1.564     260.647     330.000       8.464   43 
-    190000       38000.00      31.128     -17.935      13.192   5.96 0.143 0.750 0.216 1.115     282.405     330.000       8.372   43 
-    200000       40000.00      36.845     -33.336       3.509   3.74 0.357 0.500 0.327 2.583     334.277     330.000       7.593   43 
-    210000       42000.00      32.645     -27.202       5.443   6.37 0.143 0.800 0.395 1.756     296.175     320.000       7.402   43 
-    220000       44000.00      27.133     -29.286      -2.153   5.17 0.214 0.625 0.261 1.240     246.165     320.000       6.913   43 
-    230000       46000.00      35.481     -28.023       7.458   5.61 0.143 0.778 0.333 2.840     321.901     320.000       7.315   43 
-    240000       48000.00      31.200     -18.967      12.233   5.79 0.286 0.600 0.318 1.617     283.065     320.000       8.176   43 
-    250000       50000.00      21.146     -29.393      -8.247   5.07 0.071 0.857 0.260 2.057     191.845     320.000       7.694   43 
-    260000       52000.00      24.509     -33.577      -9.068   5.69 0.143 0.778 0.283 1.034     222.358     320.000       6.956   43 
-    270000       54000.00      27.263      -6.891      20.372   7.90 0.071 0.500 0.182 0.875     247.348     320.000      11.757   43 
-    280000       56000.00      27.173     -34.830      -7.657   3.70 0.357 0.500 0.273 1.726     246.527     320.000       7.121   43 
-    290000       58000.00      34.102     -43.412      -9.309   3.69 0.143 0.778 0.283 1.667     309.394     320.000       6.711   43 
-    300000       60000.00      24.466     -26.176      -1.710   3.37 0.214 0.400 0.236 1.621     221.970     320.000       8.051   43 
-    310000       62000.00      38.735     -29.388       9.346   6.57 0.214 0.667 0.187 1.189     351.422     300.000       8.536   43 
-    320000       64000.00      31.806     -39.952      -8.145   2.95 0.214 0.667 0.207 2.528     288.564     300.000       7.468   43 
-    330000       66000.00      30.451     -60.383     -29.931   3.08 0.571 0.579 0.325 2.148     276.271     300.000       6.386   43 
-    340000       68000.00      24.419     -32.418      -7.999   4.23 0.214 0.667 0.207 1.221     221.544     300.000       6.962   43 
-    350000       70000.00      28.821     -30.448      -1.627   4.64 0.286 0.636 0.310 1.892     261.481     300.000       7.023   43 
-    360000       72000.00      33.463     -41.319      -7.855   4.73 0.143 0.867 0.348 2.477     303.595     300.000       6.660   43 
-    370000       74000.00      29.128     -44.730     -15.602   4.18 0.214 0.727 0.322 2.891     264.260     300.000       6.644   43 
-    380000       76000.00      29.547     -43.146     -13.599   4.51 0.143 0.875 0.426 1.447     268.069     300.000       6.520   43 
-    390000       78000.00      27.412     -35.439      -8.027   3.84 0.143 0.818 0.285 1.844     248.694     300.000       6.861   43 
-    400000       80000.00      31.087     -36.262      -5.176   3.94 0.214 0.750 0.311 0.895     282.033     300.000       7.328   43 
-    410000       82000.00      29.521     -22.473       7.048   4.18 0.214 0.625 0.352 1.916     267.833     310.000       7.310   43 
-    420000       84000.00      28.445     -35.569      -7.124   5.11 0.214 0.769 0.339 1.782     258.067     310.000       6.784   43 
-    430000       86000.00      28.712     -40.618     -11.906   4.43 0.214 0.824 0.342 1.631     260.494     310.000       6.967   43 
-    440000       88000.00      38.116     -37.332       0.784   5.87 0.214 0.700 0.250 2.002     345.811     310.000       7.595   43 
-    450000       90000.00      39.019     -21.488      17.531   3.68 0.429 0.455 0.231 0.944     353.999     310.000       7.583   43 
-    460000       92000.00      26.193     -32.021      -5.828   5.33 0.214 0.800 0.309 1.875     237.637     310.000       6.884   43 
-    470000       94000.00      28.582     -33.851      -5.269   4.71 0.143 0.750 0.205 1.825     259.310     310.000       8.016   43 
-    480000       96000.00      34.155     -31.964       2.191   4.19 0.143 0.600 0.182 1.903     309.873     310.000       8.187   43 
-    490000       98000.00      30.192     -24.419       5.773   5.12 0.286 0.556 0.162 0.971     273.918     310.000       8.061   43 
-    500000      100000.00      24.928     -31.340      -6.412   5.19 0.286 0.667 0.326 1.405     226.160     310.000       6.702   43 
-    510000      102000.00      27.843     -39.589     -11.747   4.01 0.357 0.688 0.378 0.860     252.603     310.000       6.729   43 
-    520000      104000.00      32.192     -28.420       3.772   3.20 0.500 0.462 0.308 1.322     292.066     310.000       7.092   43 
-    530000      106000.00      27.839     -28.196      -0.357   2.66 0.286 0.636 0.260 1.377     252.571     310.000       7.122   43 
-    540000      108000.00      26.480     -46.415     -19.935   4.27 0.357 0.583 0.390 1.333     240.242     310.000       6.576   43 
-    550000      110000.00      30.422     -29.541       0.880   3.57 0.214 0.727 0.355 2.927     276.003     310.000       6.718   43 
-    560000      112000.00      30.059     -39.965      -9.906   3.85 0.143 0.846 0.241 1.496     272.709     310.000       6.807   43 
-    570000      114000.00      24.091     -30.278      -6.187   5.03 0.143 0.833 0.314 1.748     218.564     310.000       6.719   43 
-    580000      116000.00      29.437     -17.648      11.789   5.49 0.071 0.667 0.152 1.240     267.072     310.000       9.433   43 
-    590000      118000.00      32.758     -32.550       0.208   5.74 0.214 0.727 0.298 1.881     297.198     310.000       6.633   43 
-    600000      120000.00      29.862     -49.128     -19.266   6.09 0.071 0.875 0.222 1.190     270.922     310.000       7.821   43 
-    610000      122000.00      24.192     -39.797     -15.605   6.50 0.071 0.857 0.247 1.772     219.485     300.000       7.724   43 
-    620000      124000.00      33.985     -34.242      -0.257   5.89 0.143 0.818 0.240 1.793     308.328     300.000       7.456   43 
-    630000      126000.00      33.662     -30.653       3.010   6.60 0.286 0.636 0.231 1.348     305.401     300.000       7.517   43 
-    640000      128000.00      25.147     -36.398     -11.251   6.38 0.214 0.769 0.224 2.539     228.149     300.000       7.722   43 
-    650000      130000.00      35.417     -41.514      -6.097   5.54 0.286 0.636 0.306 1.833     321.317     300.000       7.022   43 
-    660000      132000.00      26.603     -39.951     -13.348   4.73 0.143 0.600 0.200 1.920     241.352     300.000       7.339   43 
-    670000      134000.00      31.383     -22.000       9.383   5.31 0.143 0.778 0.404 1.818     284.726     300.000       7.191   43 
-    680000      136000.00      22.031     -18.631       3.400   5.70 0.143 0.500 0.159 1.778     199.878     300.000       9.003   43 
-    690000      138000.00      27.022     -35.382      -8.360   3.77 0.214 0.727 0.207 1.558     245.155     300.000       7.267   43 
-    700000      140000.00      24.672     -23.869       0.803   6.76 0.357 0.286 0.169 1.483     223.836     300.000       8.597   43 
-    710000      142000.00      30.274     -27.159       3.115   4.65 0.429 0.455 0.227 2.493     274.662     290.000       7.801   43 
-    720000      144000.00      24.417     -44.239     -19.822   3.90 0.500 0.500 0.360 2.174     221.520     290.000       6.750   43 
-    730000      146000.00      24.352     -45.674     -21.322   3.54 0.643 0.526 0.321 0.740     220.934     290.000       6.583   43 
-    740000      148000.00      32.456     -46.989     -14.534   7.28 0.286 0.636 0.178 1.548     294.453     290.000       8.270   43 
-    750000      150000.00      19.487     -45.055     -25.569   3.91 0.000 1.000 0.192 1.063     176.795     290.000       6.943   43 
-    760000      152000.00      24.269     -57.842     -33.573   2.96 0.571 0.556 0.290 1.668     220.185     290.000       6.461   43 
-    770000      154000.00      28.256     -49.610     -21.353   2.61 0.357 0.500 0.268 1.344     256.355     290.000       7.294   43 
-    780000      156000.00      28.281     -47.460     -19.180   4.41 0.500 0.562 0.310 1.338     256.578     290.000       6.566   43 
-    790000      158000.00      26.389     -52.490     -26.102   2.75 0.214 0.667 0.278 1.505     239.411     290.000       6.927   43 
-    800000      160000.00      26.168     -35.114      -8.946   5.33 0.214 0.667 0.197 3.362     237.413     290.000       8.097   43 
-    810000      162000.00      26.212     -46.042     -19.830   5.97 0.357 0.722 0.245 1.583     237.813     280.000       6.823   43 
-    820000      164000.00      31.525     -33.733      -2.208   5.16 0.429 0.538 0.206 1.765     286.009     280.000       6.982   43 
-    830000      166000.00      27.035     -55.523     -28.487   6.73 0.214 0.769 0.248 1.267     245.279     280.000       6.663   43 
-    840000      168000.00      24.870     -44.933     -20.063   6.05 0.143 0.867 0.303 1.130     225.634     280.000       6.661   43 
-    850000      170000.00      28.135     -46.560     -18.425   5.16 0.214 0.667 0.328 1.370     255.259     280.000       6.917   43 
-    860000      172000.00      25.186     -51.270     -26.084   5.33 0.357 0.667 0.370 1.171     228.501     280.000       6.542   43 
-    870000      174000.00      33.404     -38.787      -5.383   4.77 0.143 0.818 0.281 1.631     303.057     280.000       6.933   43 
-    880000      176000.00      31.590     -42.209     -10.619   5.14 0.286 0.429 0.195 1.741     286.597     280.000       8.577   43 
-    890000      178000.00      29.284     -50.348     -21.064   6.31 0.214 0.625 0.216 2.078     265.678     280.000       9.156   43 
-    900000      180000.00      25.362     -47.259     -21.897   6.77 0.286 0.667 0.223 1.719     230.099     280.000       7.776   43 
-    910000      182000.00      29.539     -42.901     -13.362   4.05 0.214 0.769 0.276 1.239     267.990     280.000       6.921   43 
-    920000      184000.00      28.845     -50.729     -21.885   3.23 0.357 0.737 0.347 2.098     261.695     280.000       6.740   43 
-    930000      186000.00      25.353     -45.067     -19.714   3.93 0.143 0.818 0.310 1.062     230.016     280.000       7.137   43 
-    940000      188000.00      24.946     -47.598     -22.651   3.15 0.571 0.529 0.316 2.856     226.326     280.000       6.595   43 
-    950000      190000.00      39.328     -30.813       8.514   5.19 0.357 0.286 0.169 1.804     356.800     280.000       8.904   43 
-    960000      192000.00      29.371     -44.037     -14.667   4.62 0.286 0.750 0.372 1.282     266.465     280.000       6.872   43 
-    970000      194000.00      25.882     -50.566     -24.684   4.69 0.214 0.786 0.299 1.659     234.814     280.000       7.181   43 
-    980000      196000.00      27.917     -57.118     -29.200   4.95 0.143 0.846 0.360 1.844     253.281     280.000       7.034   43 
-    990000      198000.00      23.336     -43.163     -19.826   4.27 0.214 0.812 0.349 2.050     211.718     280.000       7.005   43 
-   1000000      200000.00      24.338     -50.308     -25.970   5.31 0.143 0.818 0.335 0.955     220.806     280.000       7.508   43 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB044.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB044.stat
deleted file mode 100644
index 0425b93..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB044.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      41.356      20.954      62.310  12.87 0.000   NaN   NaN 0.932     375.205     360.000      15.552   44 
-     10000        2000.00      30.025     -10.255      19.770   5.92 0.143 0.750 0.330 3.325     272.401     360.000       8.491   44 
-     20000        4000.00      30.970     -18.437      12.533   4.69 0.286 0.667 0.455 1.514     280.975     360.000       7.445   44 
-     30000        6000.00      38.058      -3.460      34.598   6.15 0.000 1.000 0.273 2.127     345.280     360.000       9.599   44 
-     40000        8000.00      32.643       7.432      40.075  10.08 0.000   NaN   NaN 1.666     296.155     360.000      13.811   44 
-     50000       10000.00      37.071     -10.318      26.753   7.70 0.071 0.000 0.182 1.195     336.324     360.000      10.453   44 
-     60000       12000.00      26.446     -16.056      10.390   5.39 0.000 1.000 0.545 0.991     239.930     360.000       8.000   44 
-     70000       14000.00      36.230     -10.791      25.440   5.29 0.143 0.714 0.409 3.857     328.699     360.000       8.345   44 
-     80000       16000.00      39.451     -13.938      25.513   4.72 0.071 0.875 0.483 1.645     357.923     360.000       7.976   44 
-     90000       18000.00      32.682      -7.528      25.154   5.38 0.071 0.800 0.536 1.229     296.507     360.000       8.833   44 
-    100000       20000.00      34.248     -13.453      20.796   8.41 0.214 0.500 0.242 1.691     310.719     360.000       9.807   44 
-    110000       22000.00      28.066     -19.464       8.601   4.77 0.000 1.000 0.420 3.521     254.626     350.000       8.428   44 
-    120000       24000.00      35.772     -28.239       7.533   5.27 0.000 1.000 0.432 0.670     324.546     350.000       7.353   44 
-    130000       26000.00      39.074     -19.433      19.640   5.33 0.000 1.000 0.604 1.556     354.495     350.000       8.254   44 
-    140000       28000.00      35.153     -28.485       6.668   5.51 0.000 1.000 0.485 1.599     318.925     350.000       7.374   44 
-    150000       30000.00      26.967     -21.041       5.925   4.63 0.286 0.500 0.267 1.264     244.656     350.000       7.493   44 
-    160000       32000.00      34.533     -36.773      -2.241   4.81 0.071 0.857 0.409 1.387     313.297     350.000       7.957   44 
-    170000       34000.00      33.189     -12.139      21.050   4.48 0.214 0.400 0.355 2.272     301.106     350.000       8.248   44 
-    180000       36000.00      26.965      -6.698      20.267   4.91 0.214 0.500 0.273 1.840     244.645     350.000       7.551   44 
-    190000       38000.00      42.803     -15.420      27.383   5.35 0.143 0.800 0.391 2.780     388.331     350.000       6.771   44 
-    200000       40000.00      40.106     -15.642      24.464   5.64 0.214 0.400 0.173 1.638     363.866     350.000       8.676   44 
-    210000       42000.00      39.025     -18.035      20.989   4.38 0.071 0.750 0.364 2.002     354.052     340.000       8.071   44 
-    220000       44000.00      24.913     -24.630       0.283   4.99 0.214 0.769 0.360 3.854     226.024     340.000       7.078   44 
-    230000       46000.00      30.302     -21.327       8.975   5.97 0.071 0.857 0.429 1.760     274.917     340.000       7.853   44 
-    240000       48000.00      39.473     -18.053      21.419   6.08 0.071 0.667 0.258 2.763     358.115     340.000       8.910   44 
-    250000       50000.00      37.637     -22.935      14.701   5.19 0.143 0.833 0.432 1.717     341.459     340.000       7.458   44 
-    260000       52000.00      31.910     -16.690      15.220   6.19 0.071 0.750 0.182 1.584     289.506     340.000       9.383   44 
-    270000       54000.00      30.345     -18.752      11.592   4.52 0.071 0.833 0.409 3.015     275.302     340.000       8.422   44 
-    280000       56000.00      25.993      -3.813      22.180   5.06 0.000 1.000 0.500 3.680     235.820     340.000       7.925   44 
-    290000       58000.00      36.401      -3.982      32.419   4.62 0.143 0.500 0.341 2.045     330.247     340.000       8.457   44 
-    300000       60000.00      31.005     -11.832      19.173   5.93 0.000 1.000 0.436 1.156     281.294     340.000       9.317   44 
-    310000       62000.00      38.431     -28.835       9.596   5.63 0.143 0.667 0.500 1.576     348.662     340.000       8.063   44 
-    320000       64000.00      43.336      -4.897      38.439   6.58 0.000   NaN   NaN 1.252     393.166     340.000      10.780   44 
-    330000       66000.00      38.615       0.970      39.585   4.57 0.000 1.000 0.354 1.566     350.331     340.000       7.249   44 
-    340000       68000.00      35.673     -25.877       9.795   6.36 0.071 0.667 0.182 1.438     323.640     340.000      10.054   44 
-    350000       70000.00      46.362     -20.202      26.160   4.97 0.214 0.625 0.477 2.258     420.619     340.000       7.853   44 
-    360000       72000.00      33.384     -19.012      14.372   5.68 0.143 0.778 0.389 1.976     302.874     340.000       7.097   44 
-    370000       74000.00      37.711     -29.730       7.981   5.03 0.143 0.667 0.311 1.732     342.131     340.000       7.722   44 
-    380000       76000.00      38.101     -24.210      13.890   5.68 0.071 0.800 0.236 1.525     345.668     340.000       9.092   44 
-    390000       78000.00      28.546     -13.030      15.515   4.02 0.143 0.500 0.330 2.541     258.982     340.000       8.522   44 
-    400000       80000.00      24.922     -15.909       9.014   7.30 0.143 0.600 0.182 1.536     226.110     340.000       9.177   44 
-    410000       82000.00      31.242      -1.239      30.003   7.62 0.071 0.800 0.155 1.924     283.444     340.000      11.983   44 
-    420000       84000.00      25.964      -3.970      21.994   5.52 0.143 0.600 0.355 2.149     235.562     340.000       8.250   44 
-    430000       86000.00      24.369     -18.393       5.976   5.29 0.071 0.667 0.439 2.166     221.086     340.000       8.240   44 
-    440000       88000.00      28.529      -5.450      23.079   7.17 0.071 0.667 0.182 2.159     258.833     340.000      10.086   44 
-    450000       90000.00      38.208     -18.050      20.158   5.93 0.071 0.750 0.182 1.804     346.647     340.000       8.747   44 
-    460000       92000.00      31.211     -10.330      20.881   6.08 0.071 0.800 0.509 1.310     283.159     340.000       9.564   44 
-    470000       94000.00      32.804     -22.773      10.031   4.61 0.071 0.875 0.341 2.214     297.616     340.000       7.972   44 
-    480000       96000.00      32.650      -9.648      23.002   5.70 0.143 0.333 0.167 0.964     296.220     340.000       8.397   44 
-    490000       98000.00      38.509     -11.111      27.398   5.24 0.214 0.667 0.253 1.801     349.376     340.000       9.525   44 
-    500000      100000.00      30.967     -22.509       8.459   5.42 0.143 0.818 0.397 1.025     280.952     340.000       8.090   44 
-    510000      102000.00      36.927     -33.221       3.705   6.35 0.214 0.727 0.442 1.964     335.019     330.000       7.130   44 
-    520000      104000.00      39.005     -34.850       4.155   5.61 0.357 0.583 0.386 3.195     353.874     330.000       7.067   44 
-    530000      106000.00      24.917     -24.717       0.200   6.57 0.143 0.600 0.191 1.952     226.060     330.000       8.111   44 
-    540000      108000.00      35.829     -27.253       8.576   6.37 0.071 0.909 0.405 1.434     325.056     330.000       6.734   44 
-    550000      110000.00      26.661     -10.901      15.760   5.48 0.071 0.800 0.255 2.372     241.884     330.000       7.958   44 
-    560000      112000.00      31.019     -14.944      16.075   4.99 0.071 0.667 0.348 2.568     281.421     330.000       8.360   44 
-    570000      114000.00      34.377     -24.253      10.124   5.03 0.143 0.750 0.341 1.042     311.888     330.000       7.109   44 
-    580000      116000.00      29.846     -31.355      -1.509   5.80 0.071 0.929 0.360 1.588     270.778     330.000       6.747   44 
-    590000      118000.00      34.409     -23.430      10.979   6.48 0.071 0.875 0.585 4.326     312.180     330.000       6.952   44 
-    600000      120000.00      28.411     -24.572       3.839   8.06 0.071 0.800 0.155 1.585     257.763     330.000      10.255   44 
-    610000      122000.00      29.482     -18.801      10.681   5.35 0.071 0.857 0.292 1.806     267.478     320.000       7.185   44 
-    620000      124000.00      28.504     -19.556       8.948   5.97 0.214 0.727 0.413 2.675     258.602     320.000       7.476   44 
-    630000      126000.00      24.986      -7.075      17.911   6.34 0.214 0.000 0.167 1.242     226.684     320.000      10.606   44 
-    640000      128000.00      33.474     -17.697      15.778   6.67 0.214 0.727 0.264 2.152     303.695     320.000       6.979   44 
-    650000      130000.00      32.690     -33.092      -0.402   4.71 0.071 0.750 0.136 1.257     296.582     320.000       7.937   44 
-    660000      132000.00      33.905     -30.856       3.049   5.56 0.143 0.750 0.335 0.861     307.606     320.000       7.119   44 
-    670000      134000.00      28.070     -18.003      10.067   5.55 0.143 0.333 0.333 1.820     254.664     320.000       8.375   44 
-    680000      136000.00      25.812     -20.737       5.075   5.12 0.071 0.909 0.372 1.560     234.180     320.000       7.187   44 
-    690000      138000.00      33.035     -19.846      13.189   5.22 0.286 0.692 0.315 1.256     299.712     320.000       7.152   44 
-    700000      140000.00      36.454     -33.733       2.722   3.65 0.214 0.500 0.152 1.672     330.733     320.000       8.145   44 
-    710000      142000.00      30.467     -40.165      -9.698   4.78 0.286 0.714 0.370 2.051     276.415     300.000       6.512   44 
-    720000      144000.00      26.532     -36.589     -10.057   2.84 0.357 0.444 0.202 1.024     240.710     300.000       7.490   44 
-    730000      146000.00      25.919     -42.740     -16.821   2.98 0.286 0.636 0.463 2.385     235.151     300.000       6.872   44 
-    740000      148000.00      24.700     -41.210     -16.510   2.77 0.500 0.364 0.322 0.991     224.094     300.000       6.741   44 
-    750000      150000.00      30.354     -39.335      -8.981   3.65 0.429 0.700 0.366 1.447     275.383     300.000       6.802   44 
-    760000      152000.00      25.497     -38.897     -13.400   3.47 0.214 0.700 0.350 1.664     231.324     300.000       6.516   44 
-    770000      154000.00      35.920     -39.883      -3.963   3.89 0.286 0.750 0.315 1.789     325.887     300.000       6.796   44 
-    780000      156000.00      21.598     -39.011     -17.413   2.92 0.357 0.545 0.364 1.939     195.947     300.000       7.086   44 
-    790000      158000.00      29.778     -37.184      -7.405   2.76 0.357 0.667 0.230 1.777     270.164     300.000       7.016   44 
-    800000      160000.00      26.478     -47.063     -20.584   4.76 0.357 0.615 0.388 1.503     240.225     300.000       7.349   44 
-    810000      162000.00      28.138     -33.268      -5.129   4.49 0.143 0.750 0.301 2.105     255.285     310.000       7.648   44 
-    820000      164000.00      25.730     -37.868     -12.138   4.10 0.357 0.706 0.353 1.871     233.432     310.000       6.927   44 
-    830000      166000.00      29.225     -48.905     -19.680   3.71 0.357 0.643 0.383 1.843     265.148     310.000       6.760   44 
-    840000      168000.00      30.266     -33.210      -2.945   3.75 0.286 0.429 0.279 2.062     274.586     310.000       6.993   44 
-    850000      170000.00      31.307     -13.804      17.503   6.30 0.286 0.692 0.234 3.981     284.037     310.000       8.597   44 
-    860000      172000.00      36.280     -34.949       1.331   3.78 0.357 0.667 0.276 1.550     329.151     310.000       7.020   44 
-    870000      174000.00      34.765     -41.408      -6.643   4.84 0.357 0.643 0.338 2.315     315.411     310.000       6.803   44 
-    880000      176000.00      29.474     -19.780       9.694   4.09 0.071 0.800 0.173 1.254     267.405     310.000       7.566   44 
-    890000      178000.00      34.177     -21.988      12.189   4.34 0.143 0.500 0.227 2.664     310.070     310.000       8.385   44 
-    900000      180000.00      34.603     -30.109       4.493   5.47 0.214 0.571 0.234 2.011     313.932     310.000       7.449   44 
-    910000      182000.00      40.685     -25.539      15.147   4.79 0.071 0.667 0.303 3.560     369.119     310.000       8.364   44 
-    920000      184000.00      29.360     -24.224       5.136   5.52 0.214 0.667 0.384 2.130     266.369     310.000       7.016   44 
-    930000      186000.00      28.489     -27.871       0.618   5.26 0.286 0.600 0.232 1.444     258.463     310.000       7.364   44 
-    940000      188000.00      23.991     -25.655      -1.664   5.45 0.214 0.667 0.268 1.480     217.658     310.000       7.385   44 
-    950000      190000.00      28.985     -32.172      -3.186   5.83 0.143 0.714 0.266 0.985     262.969     310.000       8.019   44 
-    960000      192000.00      28.457     -26.399       2.058   4.79 0.357 0.667 0.294 0.810     258.175     310.000       6.663   44 
-    970000      194000.00      28.633     -27.457       1.176   4.24 0.143 0.600 0.291 1.244     259.775     310.000       8.814   44 
-    980000      196000.00      29.429     -26.803       2.626   3.09 0.143 0.750 0.472 1.745     266.993     310.000       7.716   44 
-    990000      198000.00      20.144     -26.838      -6.694   4.76 0.071 0.875 0.364 1.354     182.754     310.000       7.461   44 
-   1000000      200000.00      22.706     -36.335     -13.628   4.28 0.214 0.700 0.327 1.246     206.001     310.000       7.242   44 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB045.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB045.stat
deleted file mode 100644
index 8994600..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB045.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      34.080      20.954      55.034  12.87 0.000   NaN   NaN 0.932     309.193     360.000      15.552   45 
-     10000        2000.00      42.111     -21.979      20.132   4.96 0.286 0.692 0.367 1.546     382.053     360.000       7.036   45 
-     20000        4000.00      28.405       7.465      35.870   4.98 0.071 0.500 0.182 2.506     257.702     360.000       9.037   45 
-     30000        6000.00      29.307      -6.882      22.425   4.55 0.071 0.750 0.705 3.083     265.888     360.000       8.324   45 
-     40000        8000.00      45.085      -9.519      35.567   5.03 0.071 0.800 0.645 1.843     409.039     360.000       9.146   45 
-     50000       10000.00      26.439      -0.717      25.722   5.34 0.000   NaN   NaN 3.753     239.872     360.000       9.178   45 
-     60000       12000.00      38.160     -12.821      25.338   6.09 0.071 0.500 0.182 2.367     346.204     360.000       9.086   45 
-     70000       14000.00      43.539      -3.829      39.710   6.19 0.071 0.833 0.371 1.874     395.011     360.000       9.105   45 
-     80000       16000.00      36.849     -16.302      20.547   6.19 0.071 0.667 0.167 2.704     334.312     360.000       7.712   45 
-     90000       18000.00      38.955     -12.623      26.332   4.86 0.143 0.714 0.416 3.402     353.417     360.000       8.525   45 
-    100000       20000.00      35.273      -3.907      31.366   6.87 0.000   NaN   NaN 1.681     320.016     360.000       9.343   45 
-    110000       22000.00      28.902     -14.613      14.289   6.40 0.143 0.714 0.481 1.683     262.214     350.000       7.941   45 
-    120000       24000.00      40.320     -13.108      27.212   3.92 0.143 0.500 0.398 2.261     365.802     350.000       8.506   45 
-    130000       26000.00      43.440     -18.392      25.048   6.37 0.143 0.750 0.528 1.840     394.112     350.000       7.326   45 
-    140000       28000.00      34.297     -17.059      17.239   6.90 0.071 0.857 0.474 1.866     311.164     350.000       9.629   45 
-    150000       30000.00      36.295     -16.335      19.960   4.75 0.000 1.000 0.400 1.109     329.285     350.000       8.160   45 
-    160000       32000.00      32.465     -11.848      20.617   5.62 0.143 0.750 0.398 1.750     294.535     350.000       7.598   45 
-    170000       34000.00      28.182     -17.582      10.600   5.44 0.071 0.833 0.515 2.372     255.682     350.000       8.557   45 
-    180000       36000.00      42.279     -12.235      30.044   7.20 0.071 0.750 0.170 1.915     383.579     350.000       9.774   45 
-    190000       38000.00      30.947     -14.538      16.409   5.63 0.071 0.857 0.357 1.630     280.767     350.000       7.368   45 
-    200000       40000.00      34.408     -11.888      22.520   4.97 0.143 0.667 0.364 2.107     312.169     350.000       8.454   45 
-    210000       42000.00      24.558     -22.613       1.945   5.74 0.214 0.769 0.339 1.767     222.802     330.000       7.198   45 
-    220000       44000.00      36.038     -12.912      23.126   5.84 0.000 1.000 0.182 1.690     326.959     330.000       7.858   45 
-    230000       46000.00      27.104     -22.826       4.278   5.17 0.000 1.000 0.326 1.327     245.900     330.000       7.138   45 
-    240000       48000.00      29.375     -23.721       5.654   5.86 0.214 0.500 0.273 1.733     266.506     330.000       7.451   45 
-    250000       50000.00      29.371     -16.730      12.641   2.97 0.214 0.500 0.432 1.782     266.467     330.000       7.151   45 
-    260000       52000.00      32.610     -27.121       5.489   4.38 0.143 0.600 0.264 1.383     295.855     330.000       8.191   45 
-    270000       54000.00      35.897     -26.631       9.266   4.89 0.143 0.500 0.409 2.688     325.674     330.000       7.579   45 
-    280000       56000.00      35.056     -23.499      11.556   5.06 0.143 0.800 0.368 1.961     318.045     330.000       7.522   45 
-    290000       58000.00      24.541     -24.845      -0.304   5.24 0.143 0.600 0.364 1.107     222.651     330.000       8.154   45 
-    300000       60000.00      32.074     -14.909      17.165   5.02 0.143 0.667 0.348 1.476     290.992     330.000       8.309   45 
-    310000       62000.00      39.037      -8.900      30.136   9.00 0.143 0.500 0.159 1.224     354.160     370.000      11.702   45 
-    320000       64000.00      42.596     -15.918      26.678   6.37 0.286 0.636 0.306 1.120     386.454     370.000       7.440   45 
-    330000       66000.00      42.196     -13.786      28.410   4.92 0.143 0.600 0.345 3.074     382.822     370.000       8.275   45 
-    340000       68000.00      30.242     -18.691      11.551   5.83 0.143 0.600 0.336 1.337     274.367     370.000       7.356   45 
-    350000       70000.00      32.087      -2.406      29.681  10.76 0.000   NaN   NaN 2.091     291.109     370.000      14.688   45 
-    360000       72000.00      38.757      -3.801      34.957   7.47 0.000 1.000 0.295 0.981     351.627     370.000      11.738   45 
-    370000       74000.00      36.117       3.792      39.909   8.64 0.000 1.000 0.273 1.993     327.672     370.000      12.708   45 
-    380000       76000.00      41.858      -0.784      41.075   7.06 0.143 0.333 0.136 2.167     379.760     370.000      11.348   45 
-    390000       78000.00      28.513     -17.612      10.901   5.81 0.071 0.800 0.355 1.612     258.683     370.000       8.441   45 
-    400000       80000.00      42.443     -11.420      31.023   5.75 0.071 0.750 0.205 0.800     385.061     370.000       8.796   45 
-    410000       82000.00      50.122      -7.918      42.204   5.02 0.000 1.000 0.205 1.389     454.735     400.000       9.145   45 
-    420000       84000.00      39.105     -18.583      20.522   7.15 0.071 0.800 0.418 0.776     354.779     400.000       7.397   45 
-    430000       86000.00      49.138      -5.514      43.624   8.11 0.000 1.000 0.212 1.616     445.806     400.000       9.088   45 
-    440000       88000.00      44.795      -3.961      40.834   5.30 0.214 0.500 0.205 2.343     406.405     400.000       8.891   45 
-    450000       90000.00      48.418     -10.829      37.589   5.76 0.071 0.500 0.205 1.963     439.269     400.000       9.568   45 
-    460000       92000.00      39.114       8.884      47.998   7.66 0.000 1.000 0.182 1.440     354.860     400.000      12.085   45 
-    470000       94000.00      41.618      12.068      53.686   8.37 0.143 0.000 0.136 2.782     377.579     400.000      11.950   45 
-    480000       96000.00      33.516     -14.222      19.293   6.08 0.071 0.750 0.477 1.723     304.072     400.000       8.660   45 
-    490000       98000.00      42.617       2.651      45.268   5.59 0.071 0.750 0.443 0.813     386.643     400.000       8.112   45 
-    500000      100000.00      41.801      -2.205      39.595   5.21 0.000 1.000 0.455 0.852     379.236     400.000       8.845   45 
-    510000      102000.00      40.836     -12.838      27.997   7.28 0.071 0.500 0.136 1.161     370.485     400.000      10.897   45 
-    520000      104000.00      40.856     -12.365      28.490   5.65 0.143 0.333 0.273 2.288     370.663     400.000       9.211   45 
-    530000      106000.00      43.395      -6.203      37.193   8.03 0.000 1.000 0.136 1.912     393.706     400.000      12.109   45 
-    540000      108000.00      33.254      -8.238      25.016   5.64 0.071 0.667 0.227 2.688     301.699     400.000       8.761   45 
-    550000      110000.00      39.086       1.292      40.378   5.47 0.071 0.000 0.136 4.770     354.608     400.000       9.693   45 
-    560000      112000.00      45.403       4.175      49.578   4.81 0.071 0.667 0.439 2.053     411.919     400.000       8.300   45 
-    570000      114000.00      30.746      -4.164      26.582   5.96 0.000 1.000 0.727 1.896     278.946     400.000       9.708   45 
-    580000      116000.00      45.972      12.405      58.377   6.17 0.000   NaN   NaN 1.855     417.080     400.000      10.641   45 
-    590000      118000.00      39.503       3.068      42.571   5.56 0.071 0.750 0.318 2.298     358.392     400.000       9.029   45 
-    600000      120000.00      51.319      -2.551      48.768   7.43 0.071 0.750 0.205 3.701     465.590     400.000       9.296   45 
-    610000      122000.00      45.445     -10.716      34.729   7.20 0.071 0.800 0.282 1.949     412.302     400.000       8.283   45 
-    620000      124000.00      37.869     -10.567      27.302   6.72 0.143 0.333 0.152 2.128     343.566     400.000      11.566   45 
-    630000      126000.00      41.794      -2.445      39.349   9.33 0.071 0.500 0.227 1.662     379.179     400.000      12.380   45 
-    640000      128000.00      37.792      13.372      51.164   5.93 0.000 1.000 0.432 4.288     342.867     400.000       8.759   45 
-    650000      130000.00      38.088       2.432      40.520   5.73 0.000 1.000 0.273 1.400     345.557     400.000       9.421   45 
-    660000      132000.00      34.725       8.244      42.969   7.95 0.000   NaN   NaN 1.006     315.039     400.000      11.009   45 
-    670000      134000.00      34.970       0.072      35.041   4.55 0.000 1.000 0.295 1.999     317.262     400.000       8.741   45 
-    680000      136000.00      48.743      -2.734      46.009   4.94 0.000 1.000 0.682 1.246     442.221     400.000       8.876   45 
-    690000      138000.00      42.173      -5.670      36.503   4.34 0.000 1.000 0.636 2.073     382.612     400.000       8.732   45 
-    700000      140000.00      45.575      -1.478      44.097   7.75 0.071 0.500 0.205 1.500     413.480     400.000      11.456   45 
-    710000      142000.00      31.758      -8.023      23.735   6.25 0.071 0.857 0.260 1.370     288.126     390.000       8.266   45 
-    720000      144000.00      34.361      -1.519      32.841   5.74 0.071 0.667 0.394 1.307     311.737     390.000       9.394   45 
-    730000      146000.00      44.294      -3.627      40.668   9.07 0.000   NaN   NaN 2.113     401.861     390.000      13.528   45 
-    740000      148000.00      40.364       1.531      41.895   5.61 0.071 0.500 0.182 2.606     366.201     390.000       8.955   45 
-    750000      150000.00      33.694      -4.890      28.804   7.23 0.071 0.667 0.212 1.918     305.687     390.000      10.561   45 
-    760000      152000.00      38.289      23.414      61.703  11.98 0.071 0.000 0.136 2.181     347.374     390.000      14.781   45 
-    770000      154000.00      35.213      -8.907      26.305   8.22 0.071 0.833 0.212 2.142     319.466     390.000       9.880   45 
-    780000      156000.00      37.333       8.217      45.550   4.81 0.071 0.667 0.576 3.403     338.702     390.000       9.013   45 
-    790000      158000.00      42.666      -7.169      35.497   6.99 0.071 0.667 0.167 1.604     387.092     390.000      10.056   45 
-    800000      160000.00      39.326      -0.297      39.029   4.98 0.000 1.000 0.491 2.644     356.784     390.000       8.590   45 
-    810000      162000.00      39.477      -6.832      32.645   5.68 0.071 0.875 0.420 1.460     358.156     380.000       7.749   45 
-    820000      164000.00      31.744      -1.417      30.327  11.38 0.000   NaN   NaN 2.365     287.998     380.000      15.428   45 
-    830000      166000.00      31.945      -2.233      29.712   5.28 0.143 0.000 0.159 1.611     289.818     380.000       9.154   45 
-    840000      168000.00      36.365     -13.737      22.629  10.04 0.071 0.667 0.197 2.247     329.925     380.000      13.620   45 
-    850000      170000.00      29.981      -4.986      24.995   5.32 0.000 1.000 0.136 1.068     272.002     380.000       9.154   45 
-    860000      172000.00      32.807       7.768      40.575   4.45 0.071 0.500 0.159 2.889     297.643     380.000       9.233   45 
-    870000      174000.00      33.760     -17.857      15.903   5.91 0.214 0.500 0.280 0.894     306.287     380.000       7.225   45 
-    880000      176000.00      37.766       2.283      40.048   8.37 0.071 0.500 0.227 1.537     342.631     380.000      10.739   45 
-    890000      178000.00      39.408      -0.282      39.126   5.92 0.000 1.000 0.182 1.810     357.534     380.000       9.841   45 
-    900000      180000.00      33.558       0.922      34.480   8.46 0.000 1.000 0.182 2.284     304.455     380.000      11.503   45 
-    910000      182000.00      39.672      -0.743      38.929  10.17 0.143 0.333 0.167 1.484     359.928     370.000      12.708   45 
-    920000      184000.00      34.025       9.368      43.394   6.63 0.071 0.500 0.159 1.989     308.697     370.000      10.260   45 
-    930000      186000.00      27.667     -12.487      15.180   5.52 0.071 0.800 0.382 1.481     251.007     370.000       7.562   45 
-    940000      188000.00      41.610      -9.365      32.245   5.43 0.071 0.750 0.330 1.068     377.509     370.000       7.690   45 
-    950000      190000.00      38.517     -16.011      22.506  11.39 0.071 0.000 0.136 1.657     349.445     370.000      14.396   45 
-    960000      192000.00      30.201      -4.466      25.735   7.07 0.071 0.667 0.212 1.880     273.995     370.000       9.125   45 
-    970000      194000.00      51.854      -6.900      44.955   5.71 0.000 1.000 0.242 2.057     470.448     370.000       9.171   45 
-    980000      196000.00      40.418     -15.242      25.176   4.85 0.143 0.778 0.343 1.494     366.696     370.000       7.574   45 
-    990000      198000.00      32.228       0.259      32.487   6.36 0.000   NaN   NaN 2.733     292.388     370.000       9.959   45 
-   1000000      200000.00      33.687       0.530      34.218   5.09 0.000 1.000 0.318 2.742     305.628     370.000       9.255   45 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB046.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB046.stat
deleted file mode 100644
index fbd3656..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB046.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.698      20.954      61.652  12.87 0.000   NaN   NaN 0.932     369.231     360.000      15.552   46 
-     10000        2000.00      40.880      -0.962      39.918   5.76 0.071 0.833 0.379 1.742     370.882     360.000       9.186   46 
-     20000        4000.00      30.322     -16.457      13.865   6.74 0.000 1.000 0.335 1.532     275.097     360.000       7.604   46 
-     30000        6000.00      34.729     -20.639      14.090   5.83 0.071 0.750 0.330 1.516     315.077     360.000       8.804   46 
-     40000        8000.00      36.931      -4.526      32.405   7.08 0.000 1.000 0.170 1.186     335.053     360.000       9.256   46 
-     50000       10000.00      34.708       3.880      38.588   5.57 0.071 0.800 0.373 1.622     314.885     360.000       7.671   46 
-     60000       12000.00      41.687     -14.578      27.109   6.71 0.143 0.667 0.356 3.683     378.202     360.000       7.585   46 
-     70000       14000.00      40.181     -15.970      24.211   6.08 0.000 1.000 0.636 1.940     364.546     360.000      10.916   46 
-     80000       16000.00      35.150      -9.010      26.140   6.73 0.071 0.667 0.273 1.873     318.896     360.000      10.040   46 
-     90000       18000.00      34.367     -17.718      16.649   4.68 0.143 0.778 0.470 1.555     311.793     360.000       7.033   46 
-    100000       20000.00      37.239      -0.470      36.769   9.09 0.000   NaN   NaN 0.916     337.850     360.000      13.789   46 
-    110000       22000.00      35.571     -11.103      24.468   7.42 0.000 1.000 0.258 2.707     322.723     400.000       9.397   46 
-    120000       24000.00      34.789      -3.134      31.655   7.72 0.071 0.000 0.182 3.154     315.620     400.000      11.649   46 
-    130000       26000.00      48.231      -9.217      39.013   5.38 0.071 0.000 0.591 1.237     437.572     400.000       7.893   46 
-    140000       28000.00      39.871       3.533      43.404  10.20 0.071 0.500 0.205 2.195     361.731     400.000      12.964   46 
-    150000       30000.00      43.190       3.642      46.832   7.53 0.143 0.600 0.218 2.433     391.838     400.000      11.012   46 
-    160000       32000.00      41.410     -12.025      29.386   5.25 0.143 0.333 0.152 2.790     375.696     400.000       8.161   46 
-    170000       34000.00      34.430       3.605      38.035   5.81 0.000 1.000 0.136 1.534     312.367     400.000      10.247   46 
-    180000       36000.00      42.732     -12.479      30.253   6.07 0.143 0.333 0.152 1.446     387.689     400.000       9.521   46 
-    190000       38000.00      39.395      22.001      61.396  11.87 0.071 0.000 0.136 2.034     357.411     400.000      15.260   46 
-    200000       40000.00      39.626      -6.090      33.536   5.32 0.000 1.000 0.386 1.612     359.512     400.000       8.522   46 
-    210000       42000.00      39.489      -4.392      35.097   4.40 0.071 0.667 0.348 2.541     358.267     400.000       8.739   46 
-    220000       44000.00      36.185      -4.152      32.033   5.28 0.143 0.333 0.212 1.706     328.288     400.000       8.489   46 
-    230000       46000.00      48.374     -17.539      30.835   5.84 0.071 0.833 0.311 1.726     438.873     400.000       7.767   46 
-    240000       48000.00      40.994       1.528      42.522   5.67 0.071 0.500 0.159 2.388     371.919     400.000       8.552   46 
-    250000       50000.00      38.403       5.196      43.599   6.95 0.143 0.714 0.227 1.166     348.409     400.000       8.266   46 
-    260000       52000.00      44.025      -0.635      43.390   6.13 0.000 1.000 0.255 2.407     399.418     400.000       9.148   46 
-    270000       54000.00      53.663      -6.343      47.320   6.55 0.214 0.400 0.173 2.531     486.854     400.000       9.978   46 
-    280000       56000.00      33.728       9.089      42.817   7.59 0.071 0.500 0.205 2.420     306.000     400.000      11.267   46 
-    290000       58000.00      31.761      -0.986      30.775   5.24 0.000 1.000 0.227 1.448     288.149     400.000       9.507   46 
-    300000       60000.00      31.098       0.298      31.396   5.50 0.071 0.833 0.273 2.734     282.135     400.000       7.358   46 
-    310000       62000.00      37.228       3.751      40.979   4.74 0.143 0.714 0.494 1.529     337.751     380.000       7.916   46 
-    320000       64000.00      42.177      -0.787      41.391   6.16 0.071 0.889 0.414 1.271     382.652     380.000       7.851   46 
-    330000       66000.00      40.792      -1.067      39.726   5.82 0.071 0.800 0.436 1.990     370.088     380.000       8.527   46 
-    340000       68000.00      35.316     -13.358      21.958   5.22 0.071 0.667 0.258 2.478     320.409     380.000       9.123   46 
-    350000       70000.00      37.792     -16.912      20.880   5.34 0.214 0.571 0.318 2.000     342.864     380.000       7.509   46 
-    360000       72000.00      33.030      -0.868      32.161   6.28 0.000 1.000 0.182 2.191     299.661     380.000       8.805   46 
-    370000       74000.00      35.623     -13.359      22.265   4.87 0.000 1.000 0.420 1.094     323.193     380.000       8.352   46 
-    380000       76000.00      40.304     -21.395      18.909   5.43 0.071 0.800 0.345 1.712     365.662     380.000       8.011   46 
-    390000       78000.00      36.477       1.329      37.805   6.84 0.000 1.000 0.136 2.039     330.935     380.000       9.341   46 
-    400000       80000.00      39.060     -13.615      25.445   5.73 0.071 0.500 0.409 2.348     354.374     380.000       8.811   46 
-    410000       82000.00      45.078      -4.689      40.389   5.50 0.143 0.800 0.350 4.189     408.973     370.000       7.373   46 
-    420000       84000.00      33.326     -17.442      15.884   6.27 0.000 1.000 0.394 0.505     302.351     370.000       7.743   46 
-    430000       86000.00      37.166     -12.330      24.836   7.12 0.071 0.800 0.236 1.257     337.188     370.000       9.152   46 
-    440000       88000.00      35.601       2.062      37.662   5.15 0.071 0.833 0.424 3.147     322.987     370.000       8.355   46 
-    450000       90000.00      37.356      -9.958      27.397   4.88 0.143 0.500 0.489 1.395     338.909     370.000       8.590   46 
-    460000       92000.00      36.874     -17.765      19.108   3.64 0.143 0.667 0.265 1.460     334.536     370.000       7.584   46 
-    470000       94000.00      30.707      -2.426      28.281   6.39 0.000 1.000 0.545 1.631     278.587     370.000       8.550   46 
-    480000       96000.00      38.980      -6.201      32.779   4.89 0.071 0.000 0.136 1.515     353.649     370.000      10.097   46 
-    490000       98000.00      39.087     -13.274      25.813   6.56 0.071 0.857 0.344 1.125     354.613     370.000       7.905   46 
-    500000      100000.00      47.088      -9.714      37.374   7.77 0.000 1.000 0.159 1.460     427.204     370.000       9.199   46 
-    510000      102000.00      32.522     -10.307      22.215   5.10 0.143 0.500 0.443 1.873     295.054     360.000       8.621   46 
-    520000      104000.00      29.110      -5.992      23.119   4.82 0.143 0.667 0.364 1.872     264.104     360.000       7.868   46 
-    530000      106000.00      38.310     -12.090      26.219   5.05 0.143 0.500 0.284 2.264     347.566     360.000       9.192   46 
-    540000      108000.00      39.077      -9.937      29.139   7.85 0.214 0.500 0.174 2.129     354.524     360.000       8.919   46 
-    550000      110000.00      34.106     -28.168       5.938   5.38 0.214 0.625 0.250 1.272     309.426     360.000       7.756   46 
-    560000      112000.00      32.745       4.174      36.919   6.00 0.071 0.667 0.182 3.616     297.079     360.000      10.632   46 
-    570000      114000.00      35.636     -24.528      11.107   5.83 0.214 0.625 0.324 1.260     323.306     360.000       8.042   46 
-    580000      116000.00      32.075     -15.023      17.052   6.30 0.071 0.875 0.415 2.003     290.999     360.000       7.495   46 
-    590000      118000.00      33.792     -12.310      21.482   7.47 0.071 0.500 0.136 1.526     306.579     360.000      10.925   46 
-    600000      120000.00      37.277      -1.243      36.034   5.10 0.000 1.000 0.466 1.670     338.195     360.000       7.715   46 
-    610000      122000.00      36.841     -15.280      21.562   5.77 0.071 0.667 0.667 1.294     334.243     360.000       8.188   46 
-    620000      124000.00      32.049     -14.640      17.409   4.20 0.143 0.600 0.173 1.068     290.767     360.000       7.508   46 
-    630000      126000.00      46.112     -15.966      30.146   5.67 0.143 0.750 0.426 4.340     418.353     360.000       7.348   46 
-    640000      128000.00      37.331      -0.525      36.806   4.16 0.214 0.667 0.424 3.153     338.689     360.000       7.665   46 
-    650000      130000.00      36.407       4.919      41.325   4.23 0.143 0.333 0.273 1.671     330.299     360.000       7.608   46 
-    660000      132000.00      31.242      -4.457      26.785   5.10 0.000 1.000 0.264 1.026     283.446     360.000       9.285   46 
-    670000      134000.00      27.787      -1.710      26.077   8.48 0.071 0.750 0.170 1.979     252.100     360.000      10.619   46 
-    680000      136000.00      30.760      -4.791      25.969   5.40 0.143 0.714 0.422 2.113     279.071     360.000       8.325   46 
-    690000      138000.00      30.694      -6.217      24.477   5.17 0.143 0.600 0.364 1.731     278.475     360.000       7.879   46 
-    700000      140000.00      37.972      -9.732      28.240   5.56 0.071 0.750 0.216 1.375     344.502     360.000       8.608   46 
-    710000      142000.00      31.589     -19.908      11.681   6.11 0.000 1.000 0.260 2.634     286.593     360.000       9.114   46 
-    720000      144000.00      33.073      -2.940      30.133   5.97 0.000   NaN   NaN 1.882     300.059     360.000       9.948   46 
-    730000      146000.00      42.581     -13.850      28.731   4.88 0.000 1.000 0.403 1.365     386.315     360.000       7.124   46 
-    740000      148000.00      36.467       3.634      40.101   9.84 0.000 1.000 0.182 2.316     330.849     360.000      13.959   46 
-    750000      150000.00      37.663     -13.584      24.079   7.55 0.143 0.333 0.152 1.311     341.695     360.000      12.403   46 
-    760000      152000.00      37.218      -5.441      31.778   9.55 0.000   NaN   NaN 3.240     337.664     360.000      13.277   46 
-    770000      154000.00      28.200       4.026      32.226   8.57 0.143 0.600 0.191 2.516     255.846     360.000      10.971   46 
-    780000      156000.00      38.634      -6.636      31.999   8.05 0.071 0.833 0.182 2.120     350.511     360.000      10.322   46 
-    790000      158000.00      38.753     -14.541      24.212   6.17 0.000 1.000 0.527 2.307     351.586     360.000       7.756   46 
-    800000      160000.00      40.987      -2.255      38.732   5.37 0.000 1.000 0.523 3.389     371.857     360.000       9.386   46 
-    810000      162000.00      38.856      10.379      49.236   7.56 0.000 1.000 0.545 1.991     352.526     400.000      10.167   46 
-    820000      164000.00      45.804      10.371      56.176   5.49 0.000 1.000 0.500 1.814     415.561     400.000       8.700   46 
-    830000      166000.00      44.646     -10.731      33.915   8.26 0.000   NaN   NaN 1.692     405.056     400.000      11.383   46 
-    840000      168000.00      38.908     -14.500      24.408   5.52 0.071 0.875 0.500 1.316     352.991     400.000       7.769   46 
-    850000      170000.00      43.627       0.815      44.442   9.64 0.071 0.667 0.182 2.442     395.807     400.000      12.255   46 
-    860000      172000.00      41.300      -2.324      38.976   6.84 0.071 0.000 0.182 4.133     374.698     400.000      10.462   46 
-    870000      174000.00      42.959       6.274      49.233  10.13 0.000   NaN   NaN 1.885     389.747     400.000      12.230   46 
-    880000      176000.00      41.908      -5.345      36.563   7.71 0.071 0.667 0.212 2.194     380.212     400.000      10.682   46 
-    890000      178000.00      38.816      15.285      54.101   9.81 0.071 0.000 0.136 4.046     352.155     400.000      13.359   46 
-    900000      180000.00      41.386      -9.897      31.489   5.57 0.000 1.000 0.455 2.305     375.478     400.000       8.849   46 
-    910000      182000.00      30.985     -13.406      17.579   4.92 0.143 0.600 0.255 0.717     281.109     360.000       7.498   46 
-    920000      184000.00      32.997      -7.866      25.131   9.46 0.143 0.600 0.191 2.560     299.368     360.000      11.017   46 
-    930000      186000.00      29.490      -5.448      24.042   5.88 0.071 0.750 0.193 2.431     267.547     360.000       7.905   46 
-    940000      188000.00      37.078     -15.199      21.879   7.57 0.143 0.800 0.300 1.515     336.390     360.000       7.230   46 
-    950000      190000.00      43.117      -0.725      42.392   9.14 0.000 1.000 0.333 2.040     391.179     360.000      10.322   46 
-    960000      192000.00      35.751     -16.261      19.490   5.54 0.143 0.778 0.343 1.168     324.347     360.000       7.882   46 
-    970000      194000.00      38.747     -18.421      20.326   3.29 0.143 0.500 0.261 1.484     351.533     360.000       7.310   46 
-    980000      196000.00      34.976     -14.924      20.051   5.56 0.000 1.000 0.580 2.657     317.317     360.000       8.738   46 
-    990000      198000.00      34.349      -7.056      27.292   4.53 0.214 0.500 0.280 2.735     311.629     360.000       7.773   46 
-   1000000      200000.00      25.724      -8.727      16.997   7.72 0.071 0.750 0.239 1.451     233.379     360.000      10.299   46 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB047.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB047.stat
deleted file mode 100644
index 3396ef0..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB047.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      36.923      20.954      57.877  12.87 0.000   NaN   NaN 0.932     334.986     360.000      15.552   47 
-     10000        2000.00      35.547     -18.409      17.138   4.18 0.214 0.625 0.341 1.940     322.504     360.000       7.915   47 
-     20000        4000.00      36.243       4.984      41.227   5.15 0.000   NaN   NaN 1.903     328.812     360.000       8.360   47 
-     30000        6000.00      29.375      -7.455      21.920   9.09 0.000 1.000 0.136 1.104     266.508     360.000      12.579   47 
-     40000        8000.00      43.518      -1.256      42.262   5.17 0.214 0.000 0.167 2.790     394.816     360.000       9.557   47 
-     50000       10000.00      33.802      -6.056      27.746  11.11 0.000 1.000 0.182 0.590     306.667     360.000      14.513   47 
-     60000       12000.00      39.297     -12.118      27.179   5.40 0.071 0.800 0.373 1.489     356.526     360.000       8.547   47 
-     70000       14000.00      44.266      -0.077      44.189  10.00 0.000   NaN   NaN 2.185     401.604     360.000      13.535   47 
-     80000       16000.00      41.045     -19.131      21.914   5.04 0.000 1.000 0.182 1.472     372.378     360.000       7.954   47 
-     90000       18000.00      30.172      -9.836      20.336   7.07 0.143 0.000 0.136 2.149     273.738     360.000       9.205   47 
-    100000       20000.00      32.687     -21.000      11.687   5.05 0.071 0.800 0.618 2.154     296.553     360.000       8.879   47 
-    110000       22000.00      33.594     -24.298       9.296   7.53 0.143 0.600 0.273 3.217     304.783     350.000       8.332   47 
-    120000       24000.00      24.464     -16.025       8.439   6.00 0.143 0.714 0.383 1.370     221.949     350.000       8.080   47 
-    130000       26000.00      40.865      -6.443      34.422   5.85 0.071 0.667 0.152 1.334     370.746     350.000       9.631   47 
-    140000       28000.00      32.164     -11.882      20.282   5.05 0.143 0.667 0.341 1.367     291.807     350.000       8.671   47 
-    150000       30000.00      37.357     -12.904      24.452   4.81 0.071 0.800 0.464 2.369     338.919     350.000       8.298   47 
-    160000       32000.00      36.707     -15.062      21.645   4.97 0.143 0.000 0.341 2.024     333.027     350.000       9.486   47 
-    170000       34000.00      34.696     -19.414      15.282   5.18 0.071 0.000 0.182 1.686     314.781     350.000       8.642   47 
-    180000       36000.00      30.566     -20.863       9.703   2.79 0.357 0.375 0.324 1.456     277.314     350.000       6.821   47 
-    190000       38000.00      34.885      -3.944      30.941   5.90 0.000 1.000 0.432 2.879     316.496     350.000       8.281   47 
-    200000       40000.00      37.801     -15.057      22.744   5.46 0.071 0.857 0.312 2.187     342.952     350.000       7.446   47 
-    210000       42000.00      29.702     -13.800      15.902   5.38 0.143 0.500 0.227 1.860     269.472     350.000       8.839   47 
-    220000       44000.00      40.197     -10.750      29.447   6.42 0.071 0.750 0.250 1.001     364.686     350.000       8.449   47 
-    230000       46000.00      36.117       5.725      41.842   6.09 0.214 0.250 0.159 1.316     327.670     350.000      10.783   47 
-    240000       48000.00      32.304     -17.143      15.161   6.73 0.000 1.000 0.159 2.412     293.077     350.000      10.118   47 
-    250000       50000.00      29.294     -10.087      19.207   4.58 0.071 0.875 0.409 1.176     265.771     350.000       7.262   47 
-    260000       52000.00      31.983     -14.293      17.689   4.98 0.071 0.750 0.216 1.162     290.163     350.000       9.182   47 
-    270000       54000.00      30.160     -20.558       9.602   6.88 0.071 0.889 0.480 1.891     273.632     350.000       7.881   47 
-    280000       56000.00      49.916      -3.904      46.012   5.07 0.000 1.000 0.439 1.999     452.865     350.000       9.207   47 
-    290000       58000.00      35.936      -7.673      28.263   5.59 0.071 0.500 0.159 1.590     326.032     350.000       9.272   47 
-    300000       60000.00      39.760     -17.961      21.800   5.72 0.071 0.500 0.727 1.761     360.724     350.000       8.980   47 
-    310000       62000.00      25.855     -15.138      10.717   5.17 0.000 1.000 0.515 1.284     234.570     340.000       8.976   47 
-    320000       64000.00      27.564     -21.688       5.876   5.52 0.071 0.750 0.182 1.309     250.077     340.000       8.312   47 
-    330000       66000.00      33.467      -4.781      28.686   5.07 0.143 0.333 0.273 2.388     303.632     340.000       9.252   47 
-    340000       68000.00      36.766      -2.159      34.607   8.35 0.000 1.000 0.182 2.879     333.560     340.000      11.282   47 
-    350000       70000.00      37.792     -13.649      24.143   4.56 0.071 0.900 0.400 1.876     342.865     340.000       7.044   47 
-    360000       72000.00      31.352     -18.758      12.593   4.95 0.143 0.600 0.527 3.213     284.440     340.000       8.658   47 
-    370000       74000.00      40.542     -20.370      20.172   5.32 0.214 0.667 0.480 2.394     367.817     340.000       7.586   47 
-    380000       76000.00      33.338     -10.718      22.620   9.47 0.071 0.750 0.205 2.321     302.457     340.000      12.557   47 
-    390000       78000.00      34.958     -16.967      17.990   4.01 0.357 0.375 0.318 1.068     317.153     340.000       7.075   47 
-    400000       80000.00      34.369       4.109      38.478   6.06 0.071 0.000 0.136 2.384     311.810     340.000      10.738   47 
-    410000       82000.00      35.881     -19.443      16.438   5.46 0.214 0.400 0.518 2.313     325.526     340.000       9.652   47 
-    420000       84000.00      32.935     -20.489      12.446   7.19 0.143 0.333 0.182 1.216     298.804     340.000      10.968   47 
-    430000       86000.00      31.809     -11.237      20.572   5.91 0.000 1.000 0.591 3.159     288.583     340.000       9.635   47 
-    440000       88000.00      34.304     -10.732      23.572   5.52 0.071 0.667 0.212 2.286     311.224     340.000       8.585   47 
-    450000       90000.00      34.974     -19.371      15.603   5.30 0.143 0.750 0.335 0.876     317.302     340.000       7.827   47 
-    460000       92000.00      31.056     -16.487      14.569   5.70 0.000 1.000 0.364 1.459     281.758     340.000       8.824   47 
-    470000       94000.00      38.820     -17.881      20.938   5.27 0.000 1.000 0.500 0.938     352.191     340.000       9.466   47 
-    480000       96000.00      34.597     -19.966      14.631   7.78 0.071 0.800 0.227 2.016     313.881     340.000       9.786   47 
-    490000       98000.00      34.210     -17.327      16.883   4.26 0.143 0.714 0.286 2.007     310.370     340.000       7.264   47 
-    500000      100000.00      32.572      -8.103      24.469   6.47 0.143 0.667 0.258 3.033     295.511     340.000       9.783   47 
-    510000      102000.00      37.903       4.232      42.135   6.63 0.000 1.000 0.227 2.524     343.874     400.000      11.145   47 
-    520000      104000.00      31.225      -7.936      23.289   6.00 0.143 0.667 0.341 1.665     283.291     400.000       8.222   47 
-    530000      106000.00      32.861      -0.449      32.412   6.93 0.000   NaN   NaN 2.934     298.128     400.000       8.507   47 
-    540000      108000.00      40.212     -16.602      23.609   5.68 0.071 0.909 0.430 1.431     364.820     400.000       6.798   47 
-    550000      110000.00      40.877      -0.001      40.875   5.70 0.000 1.000 0.264 1.500     370.854     400.000       7.875   47 
-    560000      112000.00      39.011      -6.516      32.496   5.48 0.000 1.000 0.568 2.663     353.932     400.000       8.365   47 
-    570000      114000.00      32.956     -12.690      20.266   5.05 0.000 1.000 0.318 1.470     298.996     400.000       9.096   47 
-    580000      116000.00      41.804      -8.702      33.103   5.17 0.071 0.667 0.591 1.807     379.270     400.000       8.757   47 
-    590000      118000.00      36.386       0.671      37.057   8.75 0.071 0.750 0.273 1.609     330.116     400.000      10.359   47 
-    600000      120000.00      42.487       2.115      44.602   6.18 0.071 0.750 0.455 1.347     385.467     400.000       8.288   47 
-    610000      122000.00      33.454      -2.386      31.069   6.43 0.071 0.500 0.136 1.305     303.514     400.000      11.216   47 
-    620000      124000.00      40.426       5.108      45.534   6.98 0.000 1.000 0.242 2.020     366.766     400.000       8.995   47 
-    630000      126000.00      36.733      -2.550      34.183   6.17 0.000   NaN   NaN 2.405     333.258     400.000       8.858   47 
-    640000      128000.00      36.518       4.210      40.729   8.61 0.071 0.500 0.136 2.831     331.312     400.000      12.120   47 
-    650000      130000.00      35.344       6.476      41.820   9.73 0.000 1.000 0.182 1.512     320.662     400.000      13.177   47 
-    660000      132000.00      41.226      -3.879      37.347  10.36 0.000 1.000 0.136 1.585     374.023     400.000      13.833   47 
-    670000      134000.00      42.538     -10.458      32.080   4.72 0.071 0.500 0.136 2.516     385.926     400.000       8.481   47 
-    680000      136000.00      36.967      -0.682      36.285   4.42 0.000 1.000 0.136 2.096     335.388     400.000       9.224   47 
-    690000      138000.00      41.184     -17.012      24.171  11.71 0.071 0.500 0.182 1.656     373.638     400.000      14.551   47 
-    700000      140000.00      37.619       2.024      39.643   9.85 0.000   NaN   NaN 2.370     341.296     400.000      13.577   47 
-    710000      142000.00      53.136       1.762      54.898   7.56 0.000   NaN   NaN 2.575     482.078     400.000      10.438   47 
-    720000      144000.00      33.167       3.042      36.209   4.54 0.000 1.000 0.409 2.444     300.907     400.000       8.793   47 
-    730000      146000.00      40.693      -7.440      33.253   6.00 0.071 0.800 0.255 2.679     369.187     400.000       8.548   47 
-    740000      148000.00      40.980      -2.450      38.530   8.31 0.143 0.500 0.159 1.934     371.790     400.000      10.927   47 
-    750000      150000.00      43.850       6.397      50.246   8.38 0.071 0.000 0.182 1.652     397.826     400.000      10.751   47 
-    760000      152000.00      37.251      -8.823      28.428   6.47 0.071 0.750 0.398 1.464     337.962     400.000       7.861   47 
-    770000      154000.00      33.111      -3.491      29.620   5.45 0.286 0.200 0.245 1.053     300.404     400.000       8.253   47 
-    780000      156000.00      36.186      -6.076      30.110  10.84 0.000 1.000 0.136 3.486     328.299     400.000      15.181   47 
-    790000      158000.00      41.383     -10.286      31.097   5.80 0.071 0.800 0.309 3.152     375.450     400.000       8.225   47 
-    800000      160000.00      33.564      -1.742      31.822   5.21 0.000 1.000 0.136 2.904     304.508     400.000       9.574   47 
-    810000      162000.00      46.742       9.356      56.098   9.23 0.000 1.000 0.227 1.442     424.068     390.000      12.089   47 
-    820000      164000.00      41.310     -14.196      27.114   4.37 0.000 1.000 0.250 2.098     374.784     390.000       8.026   47 
-    830000      166000.00      45.307     -21.510      23.797   5.92 0.143 0.778 0.348 1.241     411.047     390.000       7.679   47 
-    840000      168000.00      42.569      -0.241      42.328   5.27 0.071 0.500 0.386 0.367     386.210     390.000       8.670   47 
-    850000      170000.00      45.396     -11.284      34.112   5.66 0.071 0.833 0.280 1.562     411.853     390.000       7.714   47 
-    860000      172000.00      33.959       4.532      38.491   6.30 0.000   NaN   NaN 1.744     308.092     390.000      10.525   47 
-    870000      174000.00      45.065      -5.594      39.471   5.41 0.071 0.750 0.318 1.736     408.857     390.000       8.137   47 
-    880000      176000.00      43.593      -2.924      40.670   5.38 0.214 0.571 0.429 1.713     395.500     390.000       8.036   47 
-    890000      178000.00      38.311      -3.960      34.351   5.64 0.000 1.000 0.159 2.308     347.581     390.000       9.723   47 
-    900000      180000.00      39.478      -1.748      37.730   5.41 0.000 1.000 0.420 1.966     358.163     390.000       8.416   47 
-    910000      182000.00      38.164     -10.955      27.209   8.19 0.071 0.500 0.136 1.646     346.246     380.000      12.030   47 
-    920000      184000.00      44.869      -7.914      36.955   5.26 0.000 1.000 0.409 2.138     407.071     380.000       9.038   47 
-    930000      186000.00      44.355      -5.534      38.820   5.32 0.000 1.000 0.530 1.261     402.410     380.000       8.532   47 
-    940000      188000.00      38.584      10.524      49.108   9.27 0.000   NaN   NaN 1.614     350.058     380.000      12.724   47 
-    950000      190000.00      42.872      -8.053      34.820   4.80 0.071 0.667 0.197 1.301     388.961     380.000       9.105   47 
-    960000      192000.00      40.979      -5.267      35.712   9.59 0.000   NaN   NaN 1.902     371.787     380.000      13.353   47 
-    970000      194000.00      33.398      -0.839      32.559  10.06 0.071 0.000 0.136 1.444     303.005     380.000      12.425   47 
-    980000      196000.00      43.765      -4.375      39.389   7.02 0.000 1.000 0.159 1.631     397.056     380.000      10.139   47 
-    990000      198000.00      34.494       6.475      40.970   8.89 0.143 0.333 0.197 1.424     312.949     380.000      12.063   47 
-   1000000      200000.00      38.866     -19.588      19.278   3.80 0.214 0.250 0.159 0.850     352.616     380.000       8.786   47 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB048.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB048.stat
deleted file mode 100644
index 9a9d9ba..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB048.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      38.761      20.939      59.701  12.87 0.000   NaN   NaN 0.931     351.664     370.000      15.552   48 
-     10000        2000.00      35.212       0.666      35.879   5.22 0.071 0.750 0.568 2.579     319.465     370.000       9.764   48 
-     20000        4000.00      44.186     -11.478      32.707   6.08 0.071 0.800 0.409 2.160     400.874     370.000       8.957   48 
-     30000        6000.00      36.218      -2.959      33.259   6.13 0.143 0.000 0.136 0.878     328.588     370.000       8.915   48 
-     40000        8000.00      36.973     -13.459      23.514   5.09 0.000 1.000 0.261 2.138     335.434     370.000       8.340   48 
-     50000       10000.00      33.354      -8.859      24.495   5.52 0.000 1.000 0.273 1.156     302.602     370.000       9.520   48 
-     60000       12000.00      34.001     -16.923      17.077   6.73 0.071 0.857 0.286 1.529     308.471     370.000       7.781   48 
-     70000       14000.00      34.566     -13.240      21.327   7.91 0.000 1.000 0.591 2.116     313.605     370.000       8.080   48 
-     80000       16000.00      32.417      -4.339      28.078   5.68 0.000 1.000 0.182 1.149     294.103     370.000      10.340   48 
-     90000       18000.00      46.457     -21.982      24.475   6.12 0.214 0.727 0.512 3.963     421.486     370.000       7.767   48 
-    100000       20000.00      37.435     -21.652      15.783   4.29 0.214 0.625 0.443 1.809     339.627     370.000       8.715   48 
-    110000       22000.00      38.836     -24.682      14.155   4.82 0.000 1.000 0.379 2.643     352.343     360.000       7.796   48 
-    120000       24000.00      38.178      -9.613      28.565   6.22 0.000 1.000 0.333 2.496     346.368     360.000       7.632   48 
-    130000       26000.00      32.995     -20.131      12.864   7.06 0.143 0.800 0.236 2.556     299.346     360.000       8.978   48 
-    140000       28000.00      28.578     -16.497      12.080   5.58 0.214 0.250 0.182 1.268     259.272     360.000       9.195   48 
-    150000       30000.00      40.145     -17.831      22.314   5.25 0.143 0.500 0.193 0.702     364.219     360.000       7.841   48 
-    160000       32000.00      37.830     -16.616      21.214   6.72 0.000 1.000 0.288 1.812     343.213     360.000       9.169   48 
-    170000       34000.00      34.542     -11.377      23.165   6.59 0.071 0.875 0.278 2.169     313.381     360.000       9.085   48 
-    180000       36000.00      30.035     -18.274      11.761   7.24 0.000 1.000 0.545 2.013     272.489     360.000       8.653   48 
-    190000       38000.00      46.079      -9.718      36.361   4.98 0.143 0.714 0.253 1.550     418.054     360.000       8.072   48 
-    200000       40000.00      33.079     -12.663      20.416   5.20 0.071 0.500 0.341 2.050     300.112     360.000       9.579   48 
-    210000       42000.00      42.584       2.013      44.596   6.13 0.000 1.000 0.394 1.228     386.342     360.000       8.929   48 
-    220000       44000.00      37.793     -13.926      23.867   5.45 0.143 0.750 0.432 1.709     342.881     360.000       7.344   48 
-    230000       46000.00      36.517      -6.945      29.573   6.44 0.000   NaN   NaN 1.881     331.306     360.000      11.289   48 
-    240000       48000.00      34.701      -5.985      28.716   7.64 0.000 1.000 0.197 1.282     314.823     360.000      11.673   48 
-    250000       50000.00      29.066     -10.360      18.706   5.87 0.143 0.846 0.294 1.796     263.699     360.000       7.265   48 
-    260000       52000.00      29.814      -6.369      23.445   5.35 0.071 0.750 0.364 2.007     270.489     360.000       8.440   48 
-    270000       54000.00      32.633     -18.708      13.925   3.90 0.214 0.727 0.331 1.965     296.065     360.000       7.385   48 
-    280000       56000.00      30.992     -16.566      14.426   5.18 0.071 0.857 0.305 2.201     281.176     360.000       7.629   48 
-    290000       58000.00      30.777     -12.293      18.483   8.11 0.000   NaN   NaN 1.423     279.221     360.000      11.378   48 
-    300000       60000.00      43.549     -14.889      28.660   5.24 0.143 0.778 0.273 2.380     395.097     360.000       7.453   48 
-    310000       62000.00      39.534     -19.100      20.434   5.16 0.000 1.000 0.300 2.538     358.673     360.000       8.012   48 
-    320000       64000.00      31.514       5.796      37.310   7.01 0.143 0.333 0.152 4.439     285.912     360.000      10.335   48 
-    330000       66000.00      44.069      -8.086      35.983   5.58 0.143 0.800 0.291 2.110     399.815     360.000       7.336   48 
-    340000       68000.00      31.730     -16.802      14.928   5.10 0.000   NaN   NaN 1.284     287.872     360.000       9.117   48 
-    350000       70000.00      45.264     -16.117      29.147   5.33 0.071 0.889 0.561 0.561     410.662     360.000       7.118   48 
-    360000       72000.00      31.254     -25.772       5.483   5.35 0.000 1.000 0.379 1.532     283.556     360.000       6.934   48 
-    370000       74000.00      36.542       0.137      36.679   7.79 0.071 0.500 0.182 3.179     331.531     360.000      10.173   48 
-    380000       76000.00      30.805     -20.120      10.685   5.46 0.071 0.889 0.273 3.302     279.480     360.000       7.401   48 
-    390000       78000.00      26.568      -5.977      20.591   5.85 0.000 1.000 0.273 2.420     241.040     360.000       8.746   48 
-    400000       80000.00      37.457     -13.019      24.438   7.12 0.071 0.750 0.341 2.656     339.832     360.000       9.132   48 
-    410000       82000.00      27.511     -16.409      11.102   4.66 0.143 0.600 0.200 2.274     249.596     340.000       9.077   48 
-    420000       84000.00      45.493     -26.630      18.863   7.06 0.357 0.583 0.277 2.454     412.735     340.000       6.928   48 
-    430000       86000.00      37.305      -3.439      33.865   5.60 0.000   NaN   NaN 2.397     338.448     340.000      10.663   48 
-    440000       88000.00      36.618     -16.278      20.340   6.34 0.000 1.000 0.273 1.546     332.222     340.000       9.000   48 
-    450000       90000.00      27.707     -16.873      10.833   6.75 0.071 0.875 0.341 1.902     251.369     340.000       7.535   48 
-    460000       92000.00      32.375     -29.718       2.657   4.85 0.143 0.600 0.364 1.116     293.725     340.000       7.400   48 
-    470000       94000.00      36.610     -18.972      17.639   5.91 0.214 0.750 0.322 1.697     332.149     340.000       6.837   48 
-    480000       96000.00      42.477     -21.148      21.329   6.85 0.143 0.750 0.375 1.464     385.370     340.000       7.409   48 
-    490000       98000.00      47.743     -18.186      29.557   6.09 0.071 0.900 0.300 3.736     433.149     340.000       9.325   48 
-    500000      100000.00      42.474     -17.851      24.623   3.70 0.143 0.714 0.448 2.473     385.346     340.000       7.553   48 
-    510000      102000.00      34.097     -10.996      23.100   6.35 0.143 0.667 0.386 1.667     309.343     340.000       9.688   48 
-    520000      104000.00      27.235     -21.574       5.661   5.08 0.143 0.667 0.371 1.868     247.090     340.000       8.051   48 
-    530000      106000.00      33.873     -22.252      11.621   9.58 0.286 0.500 0.176 1.475     307.310     340.000      12.732   48 
-    540000      108000.00      27.708     -14.776      12.931   6.25 0.071 0.667 0.197 1.870     251.380     340.000       9.891   48 
-    550000      110000.00      50.419       0.795      51.214   8.81 0.071 0.500 0.159 1.787     457.430     340.000      11.998   48 
-    560000      112000.00      40.535      -2.460      38.075   5.74 0.071 0.667 0.545 4.029     367.750     340.000       8.298   48 
-    570000      114000.00      38.343       0.034      38.377   6.63 0.000 1.000 0.205 2.025     347.868     340.000       9.732   48 
-    580000      116000.00      34.324     -18.068      16.256   6.29 0.071 0.889 0.429 1.587     311.404     340.000       8.004   48 
-    590000      118000.00      32.503     -30.313       2.190   4.25 0.214 0.625 0.369 1.870     294.883     340.000       7.581   48 
-    600000      120000.00      31.212     -13.179      18.033   5.75 0.000   NaN   NaN 1.375     283.174     340.000       9.611   48 
-    610000      122000.00      34.107     -37.874      -3.768   5.50 0.429 0.625 0.395 1.594     309.433     330.000       6.745   48 
-    620000      124000.00      28.191     -17.193      10.999   4.26 0.286 0.500 0.239 1.049     255.766     330.000       7.366   48 
-    630000      126000.00      25.840      -8.194      17.646   5.80 0.214 0.571 0.188 1.409     234.432     330.000       7.680   48 
-    640000      128000.00      32.441     -21.792      10.649   6.25 0.143 0.833 0.242 1.974     294.317     330.000       7.703   48 
-    650000      130000.00      28.666     -30.578      -1.912   3.97 0.286 0.667 0.193 1.451     260.074     330.000       7.407   48 
-    660000      132000.00      32.420     -30.967       1.453   3.38 0.286 0.692 0.357 2.250     294.130     330.000       6.980   48 
-    670000      134000.00      36.073     -20.038      16.034   4.58 0.071 0.900 0.336 3.434     327.271     330.000       7.284   48 
-    680000      136000.00      31.826     -18.667      13.160   6.87 0.143 0.600 0.164 3.482     288.746     330.000       9.927   48 
-    690000      138000.00      36.131     -23.831      12.301   5.00 0.214 0.727 0.198 1.905     327.799     330.000       8.134   48 
-    700000      140000.00      34.800     -28.487       6.313   7.34 0.286 0.692 0.262 2.745     315.723     330.000       6.971   48 
-    710000      142000.00      35.011     -15.505      19.506   5.75 0.071 0.857 0.416 2.647     317.640     340.000       7.903   48 
-    720000      144000.00      34.059     -29.762       4.297   4.37 0.214 0.500 0.273 1.947     309.000     340.000       8.061   48 
-    730000      146000.00      26.750     -13.511      13.239   6.34 0.000 1.000 0.273 2.706     242.687     340.000       8.615   48 
-    740000      148000.00      33.073     -15.195      17.878   4.12 0.214 0.700 0.364 1.821     300.054     340.000       7.684   48 
-    750000      150000.00      33.798     -30.341       3.458   4.59 0.214 0.400 0.318 1.033     306.637     340.000       7.288   48 
-    760000      152000.00      35.415     -26.487       8.928   4.62 0.214 0.625 0.472 1.448     321.304     340.000       7.856   48 
-    770000      154000.00      36.786     -18.764      18.022   3.42 0.071 0.800 0.409 1.681     333.743     340.000       7.001   48 
-    780000      156000.00      26.706     -16.504      10.203   9.67 0.071 0.000 0.136 1.378     242.293     340.000      12.634   48 
-    790000      158000.00      38.217     -22.807      15.411   4.38 0.143 0.800 0.259 1.541     346.726     340.000       7.073   48 
-    800000      160000.00      40.848     -28.607      12.241   5.79 0.214 0.667 0.258 1.070     370.593     340.000       8.619   48 
-    810000      162000.00      27.666     -22.362       5.304   4.53 0.214 0.667 0.318 1.720     250.997     340.000       7.322   48 
-    820000      164000.00      39.333     -11.573      27.760   5.21 0.143 0.714 0.448 2.698     356.850     340.000       8.241   48 
-    830000      166000.00      29.208     -17.172      12.036   6.51 0.214 0.727 0.264 2.653     264.989     340.000       8.173   48 
-    840000      168000.00      35.291     -24.439      10.851   6.87 0.286 0.556 0.283 2.393     320.175     340.000       7.276   48 
-    850000      170000.00      37.606      -2.960      34.646   4.52 0.214 0.571 0.396 4.132     341.183     340.000       8.043   48 
-    860000      172000.00      36.699     -15.824      20.875   6.57 0.071 0.833 0.462 0.911     332.952     340.000       7.680   48 
-    870000      174000.00      34.655     -25.242       9.413   5.13 0.143 0.714 0.273 2.230     314.407     340.000       7.422   48 
-    880000      176000.00      26.033     -32.748      -6.715   4.65 0.214 0.667 0.298 1.299     236.187     340.000       7.354   48 
-    890000      178000.00      32.294     -35.318      -3.025   4.63 0.286 0.556 0.242 2.179     292.984     340.000       7.130   48 
-    900000      180000.00      43.649     -24.184      19.465   6.40 0.214 0.667 0.232 1.789     396.004     340.000       9.058   48 
-    910000      182000.00      24.614     -29.389      -4.775   5.17 0.143 0.750 0.312 1.211     223.310     330.000       7.723   48 
-    920000      184000.00      33.224     -32.859       0.365   5.40 0.214 0.700 0.327 1.520     301.427     330.000       7.043   48 
-    930000      186000.00      34.116     -42.455      -8.339   5.81 0.214 0.667 0.273 1.353     309.515     330.000       7.227   48 
-    940000      188000.00      28.903     -24.257       4.646   5.08 0.071 0.500 0.250 0.883     262.221     330.000       8.420   48 
-    950000      190000.00      24.002     -31.120      -7.118   3.50 0.214 0.800 0.373 0.837     217.757     330.000       7.302   48 
-    960000      192000.00      32.715     -19.563      13.152   6.03 0.214 0.667 0.374 2.189     296.804     330.000       7.888   48 
-    970000      194000.00      27.866     -26.307       1.559   6.41 0.143 0.818 0.343 1.267     252.814     330.000       7.238   48 
-    980000      196000.00      38.795     -17.861      20.935   4.96 0.286 0.333 0.326 1.242     351.971     330.000       7.783   48 
-    990000      198000.00      39.797     -27.893      11.905   5.24 0.143 0.818 0.442 1.643     361.063     330.000       7.318   48 
-   1000000      200000.00      34.583     -43.163      -8.580   4.81 0.214 0.769 0.269 1.803     313.752     330.000       6.581   48 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB049.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB049.stat
deleted file mode 100644
index c129bda..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB049.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      38.183      20.939      59.122  12.87 0.000   NaN   NaN 0.931     346.412     370.000      15.552   49 
-     10000        2000.00      30.541      -2.654      27.887   5.96 0.000 1.000 0.205 1.809     277.081     370.000      10.417   49 
-     20000        4000.00      38.785     -11.264      27.521   4.69 0.071 0.833 0.492 2.791     351.876     370.000       7.822   49 
-     30000        6000.00      29.529      -6.511      23.018   8.01 0.071 0.667 0.197 2.278     267.902     370.000      10.913   49 
-     40000        8000.00      27.720      -5.243      22.477   8.76 0.143 0.000 0.159 1.535     251.489     370.000      12.451   49 
-     50000       10000.00      27.833       2.656      30.488   7.55 0.214 0.667 0.207 2.150     252.513     370.000       9.354   49 
-     60000       12000.00      35.302       9.108      44.410   6.81 0.143 0.500 0.205 3.171     320.278     370.000      10.474   49 
-     70000       14000.00      37.819      -8.270      29.549   5.79 0.071 0.800 0.500 2.214     343.116     370.000       7.942   49 
-     80000       16000.00      41.553      -4.943      36.610   5.95 0.071 0.000 0.136 1.232     376.989     370.000      11.296   49 
-     90000       18000.00      42.369     -22.838      19.530   5.24 0.143 0.667 0.424 1.603     384.391     370.000       7.277   49 
-    100000       20000.00      46.554     -11.201      35.353   7.11 0.071 0.857 0.201 1.264     422.361     370.000       9.863   49 
-    110000       22000.00      41.749     -10.705      31.043   6.28 0.143 0.600 0.509 1.704     378.766     370.000       7.505   49 
-    120000       24000.00      34.952      -2.668      32.284   9.32 0.000 1.000 0.182 1.554     317.105     370.000      12.864   49 
-    130000       26000.00      36.878      -7.269      29.610   5.73 0.071 0.000 0.182 1.320     334.580     370.000       8.424   49 
-    140000       28000.00      37.812      -6.014      31.798   5.61 0.143 0.333 0.167 1.947     343.047     370.000       9.168   49 
-    150000       30000.00      44.570      -1.432      43.137   6.68 0.143 0.500 0.170 2.343     404.358     370.000      10.813   49 
-    160000       32000.00      37.324      -8.987      28.337   8.89 0.000 1.000 0.182 1.332     338.623     370.000      12.653   49 
-    170000       34000.00      31.214       1.082      32.297   4.57 0.000 1.000 0.318 1.786     283.191     370.000       7.638   49 
-    180000       36000.00      27.775     -14.142      13.632   4.59 0.000 1.000 0.261 1.506     251.985     370.000       7.909   49 
-    190000       38000.00      30.123     -13.637      16.486   8.88 0.000   NaN   NaN 2.440     273.293     370.000      12.778   49 
-    200000       40000.00      22.591      -2.716      19.874   6.46 0.143 0.750 0.420 2.243     204.953     370.000       8.860   49 
-    210000       42000.00      37.621      -3.566      34.055   5.46 0.071 0.833 0.273 1.241     341.318     360.000       8.983   49 
-    220000       44000.00      35.824     -10.309      25.515   8.03 0.000 1.000 0.282 2.120     325.011     360.000       9.180   49 
-    230000       46000.00      38.386       1.691      40.077   5.59 0.000 1.000 0.273 2.065     348.261     360.000      10.180   49 
-    240000       48000.00      35.402     -15.686      19.716   7.42 0.000 1.000 0.318 1.514     321.183     360.000       7.828   49 
-    250000       50000.00      35.808     -26.232       9.576   5.08 0.143 0.778 0.515 0.944     324.865     360.000       7.643   49 
-    260000       52000.00      32.707     -11.888      20.819   7.56 0.143 0.000 0.159 3.684     296.737     360.000      12.072   49 
-    270000       54000.00      30.294      -9.705      20.589   5.96 0.286 0.667 0.383 2.462     274.847     360.000       6.910   49 
-    280000       56000.00      26.412     -18.313       8.099   7.84 0.000 1.000 0.212 1.349     239.623     360.000      10.182   49 
-    290000       58000.00      32.648      -5.585      27.063  13.96 0.000   NaN   NaN 2.539     296.203     360.000      17.405   49 
-    300000       60000.00      45.609     -15.067      30.542   6.36 0.071 0.667 0.182 2.776     413.785     360.000       9.572   49 
-    310000       62000.00      30.174     -21.197       8.976   5.11 0.214 0.571 0.266 1.127     273.752     350.000       8.362   49 
-    320000       64000.00      25.985     -14.794      11.191   4.68 0.286 0.667 0.314 2.311     235.748     350.000       7.949   49 
-    330000       66000.00      34.001     -15.066      18.935   4.86 0.214 0.400 0.491 1.713     308.473     350.000       8.090   49 
-    340000       68000.00      34.925     -14.777      20.149   3.61 0.214 0.571 0.234 2.589     316.860     350.000       7.655   49 
-    350000       70000.00      34.613     -21.671      12.942   6.16 0.143 0.778 0.384 1.389     314.026     350.000       7.078   49 
-    360000       72000.00      35.924     -22.694      13.230   5.83 0.143 0.714 0.364 1.227     325.925     350.000       7.433   49 
-    370000       74000.00      39.425     -29.962       9.463   5.44 0.000 1.000 0.483 1.859     357.685     350.000       7.103   49 
-    380000       76000.00      42.328     -20.227      22.101   8.01 0.143 0.750 0.256 1.268     384.022     350.000      11.188   49 
-    390000       78000.00      31.579     -14.442      17.137   8.56 0.071 0.667 0.212 1.434     286.498     350.000      10.900   49 
-    400000       80000.00      35.105     -19.944      15.161   6.58 0.143 0.750 0.420 2.594     318.494     350.000       7.440   49 
-    410000       82000.00      44.545      -5.024      39.521   4.93 0.000 1.000 0.391 1.434     404.135     340.000       7.401   49 
-    420000       84000.00      31.190     -11.220      19.971   6.51 0.214 0.250 0.170 1.706     282.976     340.000      10.904   49 
-    430000       86000.00      32.733     -14.193      18.540   5.90 0.214 0.250 0.170 1.358     296.967     340.000       8.181   49 
-    440000       88000.00      33.904     -21.528      12.375   3.12 0.286 0.429 0.364 1.774     307.594     340.000       7.132   49 
-    450000       90000.00      29.390     -26.493       2.897   4.19 0.071 0.875 0.466 1.469     266.638     340.000       7.685   49 
-    460000       92000.00      32.741     -12.686      20.055   7.26 0.214 0.400 0.173 1.176     297.044     340.000      10.018   49 
-    470000       94000.00      29.199     -31.850      -2.651   4.20 0.214 0.500 0.220 0.752     264.910     340.000       8.507   49 
-    480000       96000.00      25.730     -16.928       8.802   6.11 0.071 0.900 0.473 2.779     233.440     340.000       9.097   49 
-    490000       98000.00      32.231     -13.390      18.841   5.87 0.071 0.800 0.336 1.571     292.416     340.000       6.862   49 
-    500000      100000.00      34.291     -22.246      12.045   5.07 0.214 0.667 0.434 1.354     311.105     340.000       7.596   49 
-    510000      102000.00      39.556     -12.589      26.966   5.59 0.143 0.667 0.371 2.993     358.870     340.000       7.939   49 
-    520000      104000.00      33.516      -3.320      30.197   4.49 0.000 1.000 0.568 3.563     304.078     340.000       8.135   49 
-    530000      106000.00      24.264     -28.786      -4.522   3.76 0.071 0.857 0.461 1.200     220.139     340.000       7.540   49 
-    540000      108000.00      30.689     -22.472       8.217   4.98 0.071 0.667 0.212 2.523     278.426     340.000       8.437   49 
-    550000      110000.00      44.322     -18.804      25.518  11.16 0.071 0.000 0.136 1.417     402.113     340.000      14.762   49 
-    560000      112000.00      40.624     -16.953      23.672   5.76 0.214 0.667 0.338 2.299     368.564     340.000       7.338   49 
-    570000      114000.00      37.790     -13.386      24.404   4.13 0.214 0.571 0.494 1.288     342.847     340.000       7.802   49 
-    580000      116000.00      25.365     -19.849       5.516   4.74 0.071 0.900 0.323 1.372     230.126     340.000       6.924   49 
-    590000      118000.00      38.380     -14.586      23.795   5.62 0.071 0.800 0.191 2.404     348.205     340.000       9.346   49 
-    600000      120000.00      26.754     -25.744       1.010   4.39 0.214 0.500 0.432 1.085     242.722     340.000       8.092   49 
-    610000      122000.00      22.819     -33.483     -10.664   6.69 0.286 0.600 0.227 1.212     207.026     330.000       7.372   49 
-    620000      124000.00      32.715     -32.320       0.395   7.18 0.214 0.500 0.197 2.572     296.810     330.000       7.442   49 
-    630000      126000.00      22.981     -12.862      10.119   7.68 0.286 0.333 0.167 1.647     208.492     330.000      10.270   49 
-    640000      128000.00      29.874     -15.419      14.455  11.82 0.143 0.000 0.182 1.556     271.032     330.000      14.351   49 
-    650000      130000.00      26.119     -28.613      -2.494   4.85 0.357 0.500 0.268 1.519     236.964     330.000       7.230   49 
-    660000      132000.00      35.987     -40.911      -4.924   2.57 0.500 0.533 0.330 1.336     326.494     330.000       6.541   49 
-    670000      134000.00      28.236     -29.368      -1.132   4.34 0.357 0.667 0.424 2.240     256.171     330.000       6.670   49 
-    680000      136000.00      38.469     -20.961      17.507   3.04 0.214 0.625 0.375 1.740     349.006     330.000       6.855   49 
-    690000      138000.00      35.017     -22.445      12.571   7.11 0.143 0.600 0.191 1.992     317.692     330.000       8.500   49 
-    700000      140000.00      26.890     -24.875       2.015   4.57 0.000 1.000 0.305 1.481     243.956     330.000       7.341   49 
-    710000      142000.00      30.210     -17.149      13.061   4.07 0.214 0.727 0.413 2.426     274.085     330.000       7.874   49 
-    720000      144000.00      28.768     -33.970      -5.202   4.50 0.429 0.538 0.301 2.232     260.994     330.000       7.244   49 
-    730000      146000.00      32.899     -35.725      -2.826   3.74 0.214 0.769 0.399 1.474     298.477     330.000       7.389   49 
-    740000      148000.00      39.983     -23.941      16.042   7.19 0.143 0.714 0.169 1.444     362.744     330.000       8.978   49 
-    750000      150000.00      21.973     -30.513      -8.540   4.27 0.214 0.667 0.258 1.314     199.350     330.000       7.374   49 
-    760000      152000.00      30.370     -25.104       5.266   3.37 0.357 0.667 0.318 0.949     275.533     330.000       7.136   49 
-    770000      154000.00      38.141     -15.157      22.984   7.56 0.071 0.750 0.170 1.614     346.033     330.000      10.029   49 
-    780000      156000.00      38.663     -32.051       6.612   3.07 0.214 0.700 0.300 3.825     350.773     330.000       7.319   49 
-    790000      158000.00      35.004     -30.185       4.819   4.30 0.143 0.714 0.396 1.554     317.575     330.000       7.666   49 
-    800000      160000.00      33.240     -23.450       9.790   5.89 0.286 0.636 0.326 1.684     301.573     330.000       7.142   49 
-    810000      162000.00      33.162     -29.107       4.055   7.16 0.286 0.429 0.182 1.605     300.863     320.000       9.455   49 
-    820000      164000.00      30.693     -26.379       4.313   3.82 0.071 0.800 0.227 1.242     278.459     320.000       7.651   49 
-    830000      166000.00      28.871     -15.955      12.916   6.90 0.214 0.500 0.220 3.642     261.933     320.000       8.234   49 
-    840000      168000.00      31.725     -22.523       9.202   4.79 0.071 0.800 0.345 1.712     287.824     320.000       7.887   49 
-    850000      170000.00      27.922     -27.285       0.636   3.21 0.357 0.545 0.219 1.365     253.320     320.000       7.374   49 
-    860000      172000.00      35.115     -18.506      16.609   2.48 0.286 0.500 0.261 1.171     318.580     320.000       7.331   49 
-    870000      174000.00      30.034     -21.305       8.729   3.92 0.071 0.909 0.393 1.144     272.485     320.000       7.130   49 
-    880000      176000.00      30.628     -30.437       0.191   4.66 0.286 0.556 0.308 3.002     277.877     320.000       7.175   49 
-    890000      178000.00      36.054     -26.123       9.931   7.19 0.000 1.000 0.364 2.018     327.103     320.000       6.776   49 
-    900000      180000.00      30.049     -21.216       8.834   4.41 0.143 0.500 0.398 1.321     272.623     320.000       8.036   49 
-    910000      182000.00      26.079     -31.260      -5.181   5.51 0.214 0.727 0.339 2.128     236.602     310.000       6.745   49 
-    920000      184000.00      26.267     -35.616      -9.349   5.87 0.286 0.692 0.353 3.352     238.309     310.000       6.959   49 
-    930000      186000.00      26.268     -26.757      -0.489   4.72 0.357 0.444 0.278 1.978     238.316     310.000       7.252   49 
-    940000      188000.00      31.250      -9.972      21.278   5.46 0.214 0.500 0.182 1.542     283.520     310.000       7.968   49 
-    950000      190000.00      28.301     -10.132      18.169   6.34 0.143 0.750 0.284 1.638     256.761     310.000       8.548   49 
-    960000      192000.00      37.427     -29.851       7.576   6.15 0.143 0.818 0.335 1.240     339.562     310.000       7.941   49 
-    970000      194000.00      22.846     -21.243       1.603   5.09 0.071 0.923 0.343 1.310     207.272     310.000       6.820   49 
-    980000      196000.00      38.625     -26.520      12.104   5.58 0.214 0.571 0.357 2.366     350.422     310.000       7.337   49 
-    990000      198000.00      23.565     -26.145      -2.580   5.56 0.143 0.778 0.303 1.649     213.795     310.000       7.140   49 
-   1000000      200000.00      24.200     -26.169      -1.969   5.48 0.214 0.500 0.167 1.270     219.551     310.000       7.120   49 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB050.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB050.stat
deleted file mode 100644
index bbd308f..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB050.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      38.512      20.939      59.452  12.87 0.000   NaN   NaN 0.931     349.404     370.000      15.552   50 
-     10000        2000.00      37.521     -11.805      25.715   5.11 0.000 1.000 0.273 1.422     340.406     370.000       8.055   50 
-     20000        4000.00      39.828      -9.350      30.478   5.49 0.071 0.750 0.591 2.088     361.341     370.000       9.339   50 
-     30000        6000.00      38.701     -10.166      28.535   7.33 0.000 1.000 0.182 2.548     351.114     370.000      10.191   50 
-     40000        8000.00      41.940     -12.225      29.715   5.80 0.071 0.750 0.670 1.466     380.499     370.000       8.930   50 
-     50000       10000.00      36.525     -12.830      23.695   4.05 0.000 1.000 0.291 1.102     331.378     370.000       7.693   50 
-     60000       12000.00      36.442      -5.290      31.152   5.08 0.071 0.667 0.545 1.457     330.617     370.000       9.136   50 
-     70000       14000.00      39.384     -12.689      26.695   4.35 0.286 0.200 0.255 3.003     357.313     370.000       8.171   50 
-     80000       16000.00      31.423      -8.636      22.787   5.43 0.071 0.800 0.364 1.619     285.086     370.000       8.861   50 
-     90000       18000.00      42.077      -8.088      33.990   8.15 0.000 1.000 0.227 2.000     381.747     370.000       9.637   50 
-    100000       20000.00      41.442      -5.422      36.020   7.40 0.000 1.000 0.364 1.270     375.980     370.000       8.185   50 
-    110000       22000.00      30.763       4.020      34.783   5.70 0.000 1.000 0.398 1.187     279.097     360.000       8.068   50 
-    120000       24000.00      46.964      -6.448      40.517   7.20 0.000 1.000 0.295 1.277     426.083     360.000       9.942   50 
-    130000       26000.00      31.282     -14.994      16.288   5.33 0.143 0.714 0.292 2.274     283.806     360.000       7.604   50 
-    140000       28000.00      34.428     -14.128      20.299   6.99 0.071 0.500 0.205 2.276     312.347     360.000       8.719   50 
-    150000       30000.00      28.673     -19.871       8.802   6.02 0.214 0.571 0.312 1.121     260.137     360.000       6.928   50 
-    160000       32000.00      23.682      -7.443      16.239   6.86 0.071 0.800 0.209 1.534     214.853     360.000       9.925   50 
-    170000       34000.00      36.085     -15.333      20.752   5.43 0.000 1.000 0.290 1.226     327.378     360.000       7.596   50 
-    180000       36000.00      50.547       2.719      53.266   4.63 0.071 0.750 0.193 2.159     458.586     360.000       8.686   50 
-    190000       38000.00      34.787      -3.040      31.747   6.19 0.000   NaN   NaN 1.981     315.606     360.000      10.313   50 
-    200000       40000.00      38.950      -2.741      36.208   9.98 0.000 1.000 0.136 1.984     353.370     360.000      14.646   50 
-    210000       42000.00      34.188      -1.064      33.124   7.61 0.071 0.750 0.250 1.781     310.172     390.000       8.972   50 
-    220000       44000.00      34.087      -1.923      32.164   7.40 0.071 0.750 0.261 2.210     309.259     390.000       9.386   50 
-    230000       46000.00      36.733      -7.685      29.048   8.39 0.000 1.000 0.212 1.539     333.260     390.000       9.840   50 
-    240000       48000.00      35.758      -7.547      28.211   6.34 0.143 0.333 0.197 1.213     324.413     390.000       9.578   50 
-    250000       50000.00      35.257     -10.924      24.333   5.42 0.143 0.600 0.473 1.540     319.873     390.000       8.866   50 
-    260000       52000.00      40.043      -0.189      39.853   6.36 0.000 1.000 0.227 1.125     363.287     390.000      11.131   50 
-    270000       54000.00      31.351       9.734      41.085   8.76 0.071 0.000 0.136 3.426     284.432     390.000      13.016   50 
-    280000       56000.00      44.093      -4.102      39.991   8.21 0.071 0.500 0.182 1.296     400.034     390.000      11.448   50 
-    290000       58000.00      46.021     -15.628      30.393   4.71 0.000 1.000 0.394 2.861     417.527     390.000       8.940   50 
-    300000       60000.00      35.507      -6.883      28.624   6.05 0.000 1.000 0.303 1.442     322.142     390.000       9.445   50 
-    310000       62000.00      45.561      -6.004      39.557   5.41 0.071 0.500 0.136 1.858     413.350     380.000      10.127   50 
-    320000       64000.00      39.787      10.581      50.369  10.25 0.000 1.000 0.136 1.592     360.971     380.000      12.303   50 
-    330000       66000.00      32.323     -15.221      17.102   6.90 0.143 0.750 0.494 1.501     293.251     380.000       7.879   50 
-    340000       68000.00      34.706      -8.579      26.126   5.19 0.000 1.000 0.318 2.265     314.869     380.000       8.767   50 
-    350000       70000.00      43.493      -8.368      35.126   5.52 0.071 0.500 0.432 1.970     394.595     380.000       8.039   50 
-    360000       72000.00      37.397      -7.721      29.676   6.10 0.071 0.750 0.455 2.652     339.281     380.000       7.933   50 
-    370000       74000.00      33.274      -9.725      23.549   5.47 0.000 1.000 0.295 1.189     301.878     380.000       8.220   50 
-    380000       76000.00      37.593     -14.568      23.026   5.39 0.143 0.600 0.391 3.285     341.066     380.000       7.685   50 
-    390000       78000.00      31.587      -4.237      27.350   5.98 0.000 1.000 0.345 1.702     286.574     380.000       8.190   50 
-    400000       80000.00      47.924     -11.195      36.729   5.00 0.071 0.500 0.159 1.519     434.788     380.000       8.348   50 
-    410000       82000.00      34.391      -5.981      28.410   4.94 0.071 0.500 0.159 2.033     312.012     380.000       9.210   50 
-    420000       84000.00      36.213      -5.526      30.687   5.90 0.143 0.714 0.201 1.275     328.540     380.000       8.058   50 
-    430000       86000.00      42.531      -8.298      34.233   4.95 0.143 0.750 0.335 2.587     385.864     380.000       7.911   50 
-    440000       88000.00      40.736     -12.228      28.508   7.57 0.000 1.000 0.333 1.557     369.578     380.000      10.715   50 
-    450000       90000.00      36.935      -1.263      35.672   7.39 0.000 1.000 0.136 1.713     335.094     380.000      11.582   50 
-    460000       92000.00      42.770      -6.109      36.661   8.25 0.000 1.000 0.227 2.063     388.032     380.000      10.779   50 
-    470000       94000.00      42.290       4.752      47.042   5.06 0.071 0.750 0.398 1.624     383.678     380.000       8.250   50 
-    480000       96000.00      38.367      -7.279      31.088   5.35 0.071 0.000 0.773 2.848     348.085     380.000       9.208   50 
-    490000       98000.00      47.378      -9.640      37.738   5.50 0.143 0.750 0.273 2.484     429.837     380.000       7.553   50 
-    500000      100000.00      40.849       6.987      47.836   5.92 0.000 1.000 0.136 3.081     370.603     380.000       9.499   50 
-    510000      102000.00      39.210     -16.408      22.802   6.95 0.000 1.000 0.227 0.321     355.729     380.000       9.458   50 
-    520000      104000.00      34.419      13.112      47.531   5.49 0.071 0.000 0.227 1.833     312.266     380.000       9.790   50 
-    530000      106000.00      40.328      -6.040      34.288   7.68 0.143 0.333 0.152 2.229     365.880     380.000      10.653   50 
-    540000      108000.00      37.105      -9.030      28.075   6.32 0.000 1.000 0.227 1.282     336.636     380.000      10.141   50 
-    550000      110000.00      31.785      -6.170      25.615   4.99 0.143 0.714 0.390 1.678     288.371     380.000       9.183   50 
-    560000      112000.00      33.528      -4.413      29.115  13.56 0.000   NaN   NaN 1.462     304.180     380.000      17.122   50 
-    570000      114000.00      35.366      -9.286      26.080   6.25 0.071 0.000 0.136 3.271     320.855     380.000      10.802   50 
-    580000      116000.00      31.289      -7.807      23.482   5.66 0.071 0.667 0.364 1.177     283.870     380.000       7.856   50 
-    590000      118000.00      40.316      -8.909      31.407   8.00 0.071 0.500 0.136 2.264     365.770     380.000      12.346   50 
-    600000      120000.00      44.055      -3.387      40.668  10.01 0.000   NaN   NaN 2.154     399.690     380.000      14.247   50 
-    610000      122000.00      34.906      -3.756      31.150   7.20 0.071 0.750 0.239 1.833     316.685     370.000       9.236   50 
-    620000      124000.00      36.761      -5.661      31.100   5.26 0.071 0.800 0.255 1.458     333.518     370.000       8.877   50 
-    630000      126000.00      36.836       0.527      37.363  11.36 0.000   NaN   NaN 1.013     334.192     370.000      14.589   50 
-    640000      128000.00      34.701       2.989      37.691   5.02 0.071 0.500 0.409 2.243     314.829     370.000       8.702   50 
-    650000      130000.00      34.416      -1.892      32.523   7.39 0.000 1.000 0.273 1.078     312.237     370.000      12.171   50 
-    660000      132000.00      34.250     -23.427      10.823   6.62 0.071 0.667 0.182 2.588     310.737     370.000      10.611   50 
-    670000      134000.00      29.270       4.198      33.468   8.44 0.071 0.500 0.250 1.853     265.555     370.000      10.291   50 
-    680000      136000.00      30.386      -6.867      23.520  12.71 0.000   NaN   NaN 1.180     275.682     370.000      15.266   50 
-    690000      138000.00      43.816      -9.241      34.575  10.10 0.214 0.250 0.182 4.229     397.519     370.000      12.219   50 
-    700000      140000.00      32.792      -9.472      23.320   6.12 0.071 0.667 0.379 2.221     297.504     370.000       7.921   50 
-    710000      142000.00      35.025     -12.013      23.011   6.47 0.071 0.857 0.370 2.505     317.761     370.000       8.016   50 
-    720000      144000.00      34.310      -2.279      32.032   8.03 0.000   NaN   NaN 1.663     311.281     370.000      12.534   50 
-    730000      146000.00      32.803     -11.308      21.494   6.12 0.000 1.000 0.227 2.334     297.602     370.000       9.725   50 
-    740000      148000.00      37.963       2.816      40.778   5.17 0.143 0.600 0.464 1.641     344.418     370.000       7.971   50 
-    750000      150000.00      42.060     -13.027      29.033   5.62 0.143 0.667 0.402 0.894     381.589     370.000       8.738   50 
-    760000      152000.00      36.125      -3.144      32.981   4.41 0.071 0.750 0.193 1.723     327.741     370.000       8.014   50 
-    770000      154000.00      28.821     -17.396      11.425   4.76 0.143 0.714 0.422 4.437     261.477     370.000       7.736   50 
-    780000      156000.00      35.339     -17.858      17.481   5.11 0.214 0.700 0.377 1.781     320.611     370.000       8.486   50 
-    790000      158000.00      36.418     -14.200      22.218   9.09 0.071 0.667 0.258 2.447     330.400     370.000      11.684   50 
-    800000      160000.00      40.814      -7.841      32.974   9.86 0.000 1.000 0.136 1.783     370.287     370.000      12.085   50 
-    810000      162000.00      22.613     -13.954       8.659   4.19 0.286 0.200 0.173 3.090     205.157     360.000       8.353   50 
-    820000      164000.00      33.736     -20.873      12.863   5.61 0.143 0.714 0.494 2.153     306.069     360.000       7.315   50 
-    830000      166000.00      32.055      -5.620      26.435   7.40 0.071 0.800 0.191 1.478     290.824     360.000      10.720   50 
-    840000      168000.00      29.477      -0.110      29.367   6.49 0.071 0.500 0.205 1.186     267.427     360.000      10.400   50 
-    850000      170000.00      26.936     -17.986       8.950   5.34 0.143 0.750 0.438 1.375     244.380     360.000       7.203   50 
-    860000      172000.00      25.081     -23.960       1.121   5.14 0.143 0.500 0.466 2.427     227.547     360.000       7.815   50 
-    870000      174000.00      38.041      -9.464      28.577   7.82 0.000   NaN   NaN 1.267     345.127     360.000       9.993   50 
-    880000      176000.00      38.804     -20.785      18.019   4.19 0.214 0.667 0.490 0.886     352.051     360.000       7.221   50 
-    890000      178000.00      38.057     -13.733      24.324   5.02 0.071 0.833 0.439 2.575     345.270     360.000       8.144   50 
-    900000      180000.00      46.196     -21.291      24.906   5.62 0.214 0.750 0.345 1.648     419.118     360.000       6.866   50 
-    910000      182000.00      30.407     -10.448      19.959   5.97 0.000 1.000 0.355 1.074     275.872     360.000       8.103   50 
-    920000      184000.00      34.615     -17.423      17.192   5.93 0.143 0.500 0.648 1.125     314.044     360.000       8.208   50 
-    930000      186000.00      32.477      -4.649      27.828   4.77 0.071 0.800 0.255 1.512     294.651     360.000       7.876   50 
-    940000      188000.00      33.193     -14.552      18.641   5.00 0.143 0.600 0.509 0.741     301.143     360.000       8.229   50 
-    950000      190000.00      39.998     -19.490      20.508   5.57 0.286 0.556 0.258 1.221     362.881     360.000       7.087   50 
-    960000      192000.00      32.675     -15.441      17.234   4.73 0.286 0.500 0.455 2.292     296.444     360.000       7.742   50 
-    970000      194000.00      37.048     -21.846      15.202   4.65 0.214 0.700 0.382 1.294     336.116     360.000       7.293   50 
-    980000      196000.00      30.941     -20.211      10.731   7.00 0.071 0.750 0.170 2.637     280.717     360.000      11.142   50 
-    990000      198000.00      27.716     -15.692      12.024   4.13 0.071 0.875 0.347 1.692     251.450     360.000       7.427   50 
-   1000000      200000.00      34.820       5.598      40.418   5.61 0.071 0.800 0.218 1.520     315.904     360.000       8.532   50 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB051.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB051.stat
deleted file mode 100644
index db0333e..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB051.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.367      20.939      61.307  12.87 0.000   NaN   NaN 0.931     366.233     370.000      15.552   51 
-     10000        2000.00      35.111      -0.963      34.148   9.30 0.000 1.000 0.209 2.341     318.545     370.000      11.671   51 
-     20000        4000.00      33.813      -8.458      25.355   4.98 0.000 1.000 0.545 3.380     306.770     370.000       9.080   51 
-     30000        6000.00      41.954      -8.314      33.639   5.36 0.000 1.000 0.409 1.864     380.628     370.000       8.583   51 
-     40000        8000.00      36.937      -5.091      31.846   5.76 0.071 0.667 0.212 2.420     335.111     370.000       9.109   51 
-     50000       10000.00      36.301       7.682      43.982   8.27 0.071 0.500 0.159 1.169     329.337     370.000      11.426   51 
-     60000       12000.00      35.327       8.439      43.767   9.06 0.071 0.000 0.136 1.755     320.507     370.000      12.757   51 
-     70000       14000.00      33.555     -13.139      20.416   4.86 0.071 0.667 0.379 1.212     304.426     370.000       7.699   51 
-     80000       16000.00      31.292      -0.852      30.440   5.46 0.071 0.500 0.614 2.454     283.896     370.000       8.688   51 
-     90000       18000.00      31.989      -0.474      31.515   8.59 0.000   NaN   NaN 1.422     290.220     370.000      11.563   51 
-    100000       20000.00      35.527     -10.511      25.017   7.70 0.000   NaN   NaN 1.429     322.323     370.000      12.168   51 
-    110000       22000.00      28.486     -17.503      10.982   5.15 0.071 0.667 0.182 0.734     258.436     360.000       9.316   51 
-    120000       24000.00      33.647     -23.506      10.141   6.49 0.143 0.714 0.195 1.103     305.262     360.000       9.525   51 
-    130000       26000.00      34.570     -12.586      21.984   5.41 0.143 0.750 0.460 1.936     313.635     360.000       7.472   51 
-    140000       28000.00      36.540     -18.839      17.702   6.33 0.071 0.857 0.610 1.908     331.513     360.000       7.832   51 
-    150000       30000.00      36.192      -5.697      30.496   8.15 0.071 0.500 0.205 2.103     328.354     360.000      12.086   51 
-    160000       32000.00      31.617     -19.378      12.238   5.68 0.143 0.667 0.394 1.341     286.842     360.000       7.485   51 
-    170000       34000.00      38.212      -8.417      29.796   4.82 0.071 0.667 0.258 1.720     346.682     360.000       8.457   51 
-    180000       36000.00      36.522     -16.155      20.367   7.15 0.071 0.857 0.273 2.278     331.346     360.000       7.599   51 
-    190000       38000.00      32.697      -2.271      30.426   8.84 0.000 1.000 0.250 2.128     296.647     360.000      12.280   51 
-    200000       40000.00      31.389     -15.397      15.992   5.26 0.000 1.000 0.455 2.866     284.776     360.000       7.587   51 
-    210000       42000.00      39.767      -1.863      37.904   6.11 0.071 0.500 0.159 2.997     360.786     380.000       8.684   51 
-    220000       44000.00      38.114       1.320      39.434   4.83 0.000   NaN   NaN 2.908     345.790     380.000       9.798   51 
-    230000       46000.00      39.680       1.264      40.944   5.40 0.000 1.000 0.182 2.949     359.998     380.000       9.578   51 
-    240000       48000.00      33.912       1.208      35.120   7.25 0.071 0.500 0.136 2.893     307.670     380.000      10.959   51 
-    250000       50000.00      28.208      -8.209      19.999   7.88 0.143 0.500 0.273 3.273     255.921     380.000      11.667   51 
-    260000       52000.00      44.715     -10.427      34.288   5.61 0.071 0.500 0.205 0.978     405.675     380.000       9.189   51 
-    270000       54000.00      32.428      -1.989      30.440   5.48 0.071 0.500 0.273 1.543     294.204     380.000       8.850   51 
-    280000       56000.00      33.060     -17.765      15.295   7.56 0.000 1.000 0.273 2.008     299.939     380.000      11.044   51 
-    290000       58000.00      40.708       7.646      48.354   6.62 0.000 1.000 0.182 1.439     369.322     380.000       9.227   51 
-    300000       60000.00      39.847       4.618      44.466   6.76 0.071 0.833 0.311 2.201     361.517     380.000       9.231   51 
-    310000       62000.00      26.862     -20.649       6.213   5.53 0.071 0.500 0.727 2.631     243.704     370.000       8.604   51 
-    320000       64000.00      40.714     -14.685      26.029   5.23 0.143 0.818 0.318 1.942     369.377     370.000       6.795   51 
-    330000       66000.00      28.226     -16.560      11.665   3.96 0.214 0.400 0.273 1.719     256.077     370.000       7.970   51 
-    340000       68000.00      38.726       2.286      41.013   8.07 0.071 0.500 0.182 1.319     351.345     370.000      10.956   51 
-    350000       70000.00      32.792     -20.149      12.643   6.56 0.214 0.500 0.273 0.861     297.508     370.000       7.279   51 
-    360000       72000.00      32.912      -1.397      31.514   6.39 0.071 0.000 0.136 1.352     298.591     370.000       9.740   51 
-    370000       74000.00      34.690       8.294      42.984   6.91 0.000 1.000 0.227 2.081     314.725     370.000      10.895   51 
-    380000       76000.00      28.988       1.794      30.782   6.77 0.000 1.000 0.182 1.317     262.990     370.000      10.801   51 
-    390000       78000.00      41.200     -14.300      26.900   6.56 0.000 1.000 0.432 1.257     373.788     370.000       7.933   51 
-    400000       80000.00      43.283      -8.846      34.436   5.00 0.071 0.800 0.400 1.754     392.683     370.000       8.283   51 
-    410000       82000.00      35.628       1.709      37.337  11.17 0.071 0.000 0.136 1.782     323.236     360.000      14.066   51 
-    420000       84000.00      37.337      -8.221      29.116   5.05 0.000 1.000 0.409 1.387     338.741     360.000       9.084   51 
-    430000       86000.00      42.316     -15.284      27.032   4.92 0.214 0.500 0.250 3.764     383.909     360.000       8.146   51 
-    440000       88000.00      27.875     -20.030       7.845   5.48 0.071 0.889 0.545 2.776     252.895     360.000       7.849   51 
-    450000       90000.00      36.981      -0.880      36.101   4.97 0.000 1.000 0.345 1.660     335.508     360.000       7.660   51 
-    460000       92000.00      39.998      -1.063      38.935   8.88 0.071 0.000 0.136 2.119     362.880     360.000      13.135   51 
-    470000       94000.00      32.869     -21.838      11.031   6.11 0.000 1.000 0.409 3.453     298.203     360.000       8.317   51 
-    480000       96000.00      44.821      -4.106      40.715   5.60 0.071 0.667 0.318 4.503     406.638     360.000       8.427   51 
-    490000       98000.00      29.063     -10.716      18.347   5.50 0.214 0.625 0.415 2.058     263.675     360.000       6.871   51 
-    500000      100000.00      33.130     -22.554      10.576   5.11 0.214 0.667 0.535 2.212     300.574     360.000       7.463   51 
-    510000      102000.00      35.683     -26.325       9.358   5.79 0.286 0.636 0.256 1.534     323.734     340.000       7.845   51 
-    520000      104000.00      27.923     -32.042      -4.119   5.97 0.143 0.800 0.418 2.452     253.330     340.000       6.873   51 
-    530000      106000.00      32.896      -6.579      26.318   6.81 0.143 0.667 0.258 2.251     298.452     340.000       8.359   51 
-    540000      108000.00      33.761     -29.035       4.726   5.86 0.143 0.833 0.390 1.268     306.293     340.000       6.809   51 
-    550000      110000.00      32.896     -22.268      10.628   5.32 0.143 0.333 0.242 1.488     298.450     340.000       7.802   51 
-    560000      112000.00      41.746     -11.201      30.545   5.73 0.071 0.800 0.427 1.933     378.742     340.000       8.324   51 
-    570000      114000.00      32.055     -28.201       3.854   6.77 0.071 0.750 0.295 1.290     290.815     340.000       8.042   51 
-    580000      116000.00      36.871     -15.237      21.634   6.04 0.000 1.000 0.460 1.377     334.514     340.000       7.850   51 
-    590000      118000.00      29.121     -21.226       7.895   5.03 0.071 0.857 0.409 1.434     264.197     340.000       7.902   51 
-    600000      120000.00      23.525     -20.997       2.528   6.53 0.143 0.714 0.240 2.150     213.433     340.000       7.857   51 
-    610000      122000.00      33.959     -24.186       9.773   3.06 0.214 0.727 0.256 2.898     308.097     330.000       6.875   51 
-    620000      124000.00      32.528     -15.294      17.234   4.16 0.214 0.700 0.282 1.911     295.111     330.000       7.378   51 
-    630000      126000.00      28.572     -27.093       1.479   3.89 0.286 0.714 0.269 1.456     259.219     330.000       6.989   51 
-    640000      128000.00      36.752     -36.351       0.401   5.03 0.214 0.750 0.348 0.905     333.436     330.000       6.979   51 
-    650000      130000.00      30.737     -22.429       8.308   5.73 0.214 0.625 0.324 1.869     278.859     330.000       8.593   51 
-    660000      132000.00      35.440     -36.940      -1.500   6.41 0.214 0.750 0.280 2.783     321.530     330.000       7.066   51 
-    670000      134000.00      27.649     -33.540      -5.891   5.67 0.143 0.818 0.351 2.233     250.845     330.000       7.024   51 
-    680000      136000.00      35.679     -22.771      12.907   5.65 0.143 0.667 0.197 1.120     323.695     330.000       8.340   51 
-    690000      138000.00      29.079     -33.522      -4.444   5.74 0.143 0.818 0.417 2.384     263.818     330.000       7.932   51 
-    700000      140000.00      35.178     -12.350      22.828   6.02 0.143 0.750 0.381 2.971     319.156     330.000       7.220   51 
-    710000      142000.00      44.411     -26.962      17.449   5.37 0.143 0.667 0.341 1.156     402.917     330.000       8.195   51 
-    720000      144000.00      19.912     -33.522     -13.611   6.50 0.214 0.800 0.264 1.605     180.651     330.000       7.696   51 
-    730000      146000.00      32.977     -23.048       9.929   4.35 0.214 0.625 0.205 1.571     299.186     330.000       7.772   51 
-    740000      148000.00      30.685     -22.381       8.304   4.68 0.143 0.667 0.311 2.136     278.387     330.000       8.123   51 
-    750000      150000.00      35.288     -20.956      14.332   4.80 0.071 0.909 0.355 1.464     320.154     330.000       6.753   51 
-    760000      152000.00      26.520     -28.892      -2.372   5.19 0.071 0.857 0.468 2.260     240.600     330.000       7.961   51 
-    770000      154000.00      36.926     -24.385      12.542   5.37 0.286 0.429 0.318 1.861     335.015     330.000       7.650   51 
-    780000      156000.00      30.737     -26.114       4.622   5.14 0.143 0.750 0.301 1.843     278.860     330.000       7.859   51 
-    790000      158000.00      29.024     -16.590      12.434   5.04 0.143 0.333 0.182 1.430     263.318     330.000       8.991   51 
-    800000      160000.00      35.831     -19.594      16.238   5.92 0.000 1.000 0.489 1.480     325.079     330.000       7.712   51 
-    810000      162000.00      44.717     -28.988      15.729   5.53 0.214 0.700 0.300 0.978     405.700     330.000       7.232   51 
-    820000      164000.00      35.836     -24.485      11.351   5.20 0.143 0.800 0.332 1.755     325.127     330.000       7.134   51 
-    830000      166000.00      29.644     -23.495       6.149   5.63 0.214 0.625 0.358 1.703     268.949     330.000       7.550   51 
-    840000      168000.00      30.260     -26.737       3.522   5.89 0.071 0.889 0.571 1.926     274.530     330.000       7.715   51 
-    850000      170000.00      28.609     -24.776       3.833   5.32 0.286 0.667 0.485 2.079     259.557     330.000       7.360   51 
-    860000      172000.00      40.100     -37.845       2.256   4.26 0.143 0.833 0.326 2.552     363.811     330.000       7.038   51 
-    870000      174000.00      35.533     -21.716      13.817   3.75 0.143 0.600 0.464 2.355     322.375     330.000       7.073   51 
-    880000      176000.00      27.956     -15.911      12.045   7.43 0.143 0.333 0.182 1.914     253.629     330.000       8.361   51 
-    890000      178000.00      42.550     -19.896      22.654   5.83 0.214 0.500 0.167 1.628     386.037     330.000       9.672   51 
-    900000      180000.00      24.616     -14.953       9.663   7.63 0.071 0.500 0.136 1.946     223.329     330.000      10.696   51 
-    910000      182000.00      30.725     -27.627       3.098   4.64 0.214 0.700 0.300 1.372     278.753     320.000       6.859   51 
-    920000      184000.00      28.259     -18.328       9.931   7.26 0.071 0.500 0.159 1.559     256.384     320.000      10.931   51 
-    930000      186000.00      32.661     -18.874      13.787   5.60 0.071 0.833 0.432 1.237     296.314     320.000       7.277   51 
-    940000      188000.00      26.066     -29.910      -3.843   4.76 0.071 0.750 0.284 0.928     236.488     320.000       8.912   51 
-    950000      190000.00      32.643     -31.539       1.104   5.55 0.214 0.750 0.390 1.167     296.152     320.000       7.330   51 
-    960000      192000.00      38.752     -29.501       9.251   5.41 0.214 0.769 0.402 2.183     351.579     320.000       7.383   51 
-    970000      194000.00      32.086     -13.989      18.097   6.30 0.143 0.846 0.332 2.097     291.104     320.000       7.351   51 
-    980000      196000.00      24.989     -11.553      13.437   4.58 0.143 0.667 0.235 1.747     226.716     320.000       7.513   51 
-    990000      198000.00      28.821     -21.918       6.903   4.68 0.214 0.667 0.172 2.635     261.480     320.000       8.079   51 
-   1000000      200000.00      34.453     -19.555      14.898   7.12 0.143 0.750 0.176 1.148     312.579     320.000       9.708   51 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB052.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB052.stat
deleted file mode 100644
index 1741fc8..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB052.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      43.609      20.934      64.542  12.87 0.000   NaN   NaN 0.931     395.639     380.000      15.552   52 
-     10000        2000.00      38.767      -7.931      30.836   5.02 0.071 0.875 0.347 5.329     351.718     380.000       7.369   52 
-     20000        4000.00      41.981      -0.992      40.989   5.98 0.000 1.000 0.136 1.855     380.877     380.000       8.033   52 
-     30000        6000.00      33.323     -18.231      15.092   5.63 0.214 0.667 0.480 0.660     302.325     380.000       7.728   52 
-     40000        8000.00      50.403       6.944      57.348   7.43 0.071 0.750 0.193 3.712     457.286     380.000      11.157   52 
-     50000       10000.00      41.130     -11.307      29.823   6.80 0.071 0.800 0.291 1.260     373.153     380.000       8.185   52 
-     60000       12000.00      35.184      -4.936      30.248   6.95 0.143 0.714 0.370 2.869     319.210     380.000       7.741   52 
-     70000       14000.00      34.676      -2.846      31.830   6.59 0.000 1.000 0.379 1.329     314.601     380.000       8.388   52 
-     80000       16000.00      31.994      -1.754      30.240   5.63 0.000   NaN   NaN 1.610     290.270     380.000       8.545   52 
-     90000       18000.00      41.899      -7.912      33.987   6.16 0.000 1.000 0.255 1.798     380.126     380.000       8.475   52 
-    100000       20000.00      39.895     -10.154      29.740   6.24 0.000 1.000 0.250 1.618     361.944     380.000       9.381   52 
-    110000       22000.00      35.694      -1.995      33.699   7.09 0.000   NaN   NaN 1.334     323.835     370.000      11.069   52 
-    120000       24000.00      32.942      -4.910      28.032   7.00 0.071 0.500 0.136 1.634     298.869     370.000      11.230   52 
-    130000       26000.00      37.179      -5.375      31.804   5.58 0.214 0.625 0.460 4.516     337.305     370.000       7.305   52 
-    140000       28000.00      35.498       3.759      39.258   5.26 0.143 0.500 0.330 2.060     322.061     370.000       9.028   52 
-    150000       30000.00      36.536       0.563      37.099   9.13 0.071 0.500 0.250 0.930     331.473     370.000      11.448   52 
-    160000       32000.00      30.374     -11.196      19.178  10.75 0.071 0.500 0.136 1.328     275.572     370.000      13.688   52 
-    170000       34000.00      37.650     -13.171      24.478   5.88 0.071 0.800 0.364 1.799     341.577     370.000       7.016   52 
-    180000       36000.00      37.713      -6.856      30.857   4.85 0.143 0.500 0.534 2.181     342.149     370.000       8.575   52 
-    190000       38000.00      30.620     -18.824      11.796   6.18 0.071 0.889 0.318 1.762     277.803     370.000       7.661   52 
-    200000       40000.00      36.702     -17.268      19.433   5.45 0.214 0.667 0.328 1.597     332.975     370.000       7.298   52 
-    210000       42000.00      40.179       0.915      41.093   7.19 0.143 0.333 0.182 1.830     364.524     360.000      11.162   52 
-    220000       44000.00      42.968     -29.730      13.238   4.69 0.214 0.786 0.477 1.364     389.826     360.000       6.901   52 
-    230000       46000.00      35.715     -27.924       7.790   4.45 0.071 0.800 0.464 0.950     324.022     360.000       7.701   52 
-    240000       48000.00      37.330     -15.889      21.442   6.93 0.000 1.000 0.288 2.058     338.681     360.000       9.895   52 
-    250000       50000.00      30.385     -19.501      10.884   5.12 0.071 0.750 0.159 1.376     275.669     360.000       8.290   52 
-    260000       52000.00      42.430      -8.685      33.745   6.56 0.000 1.000 0.236 2.038     384.944     360.000       9.862   52 
-    270000       54000.00      40.040     -12.765      27.276   6.73 0.071 0.667 0.364 1.477     363.265     360.000       8.392   52 
-    280000       56000.00      33.750     -29.427       4.323   7.58 0.000 1.000 0.341 1.496     306.198     360.000       7.205   52 
-    290000       58000.00      32.752     -13.799      18.953   4.18 0.143 0.333 0.136 3.351     297.141     360.000       8.306   52 
-    300000       60000.00      34.673     -17.946      16.727   5.00 0.071 0.800 0.327 2.393     314.574     360.000       8.675   52 
-    310000       62000.00      35.453      -5.643      29.810   7.22 0.071 0.667 0.167 1.316     321.644     350.000       9.183   52 
-    320000       64000.00      31.616      -7.481      24.135   6.38 0.143 0.818 0.326 1.491     286.841     350.000       7.337   52 
-    330000       66000.00      46.316      -0.189      46.127   6.17 0.000 1.000 0.336 1.939     420.201     350.000       7.654   52 
-    340000       68000.00      38.585     -15.148      23.437   5.40 0.000 1.000 0.606 3.201     350.061     350.000       8.254   52 
-    350000       70000.00      38.673     -14.773      23.900   5.86 0.071 0.833 0.220 1.090     350.859     350.000       7.746   52 
-    360000       72000.00      30.498      -7.389      23.109   5.49 0.143 0.000 0.136 1.500     276.694     350.000       9.269   52 
-    370000       74000.00      33.108     -30.887       2.221   4.20 0.286 0.600 0.314 1.275     300.376     350.000       7.192   52 
-    380000       76000.00      36.620     -12.747      23.873   4.56 0.143 0.667 0.235 1.328     332.235     350.000       7.698   52 
-    390000       78000.00      38.575     -27.201      11.374   5.44 0.071 0.889 0.354 2.083     349.974     350.000       6.914   52 
-    400000       80000.00      39.473     -11.633      27.840   6.42 0.000 1.000 0.273 1.802     358.115     350.000      10.866   52 
-    410000       82000.00      35.560     -15.047      20.513   4.38 0.214 0.625 0.472 2.622     322.622     350.000       8.528   52 
-    420000       84000.00      38.031      -9.403      28.628   5.52 0.071 0.800 0.282 1.955     345.035     350.000       8.166   52 
-    430000       86000.00      31.837     -16.521      15.316   6.53 0.071 0.500 0.295 1.231     288.842     350.000       9.586   52 
-    440000       88000.00      29.917     -20.581       9.337   5.41 0.214 0.700 0.427 1.517     271.426     350.000       7.514   52 
-    450000       90000.00      30.601     -11.771      18.829   5.90 0.214 0.769 0.451 1.486     277.625     350.000       7.249   52 
-    460000       92000.00      36.140      -6.430      29.711   5.64 0.071 0.750 0.341 0.781     327.884     350.000       9.155   52 
-    470000       94000.00      23.272     -19.274       3.997   6.05 0.214 0.400 0.436 0.720     211.132     350.000       7.944   52 
-    480000       96000.00      29.268       0.368      29.636   5.37 0.000 1.000 0.227 2.198     265.531     350.000       9.625   52 
-    490000       98000.00      30.718     -17.454      13.264   5.54 0.071 0.800 0.527 1.115     278.691     350.000       9.189   52 
-    500000      100000.00      33.805     -12.008      21.797   8.04 0.000   NaN   NaN 2.041     306.700     350.000      12.586   52 
-    510000      102000.00      36.907      -1.550      35.357   8.31 0.071 0.667 0.167 1.927     334.838     400.000       9.643   52 
-    520000      104000.00      40.004       6.795      46.799   8.89 0.000   NaN   NaN 1.349     362.940     400.000      12.981   52 
-    530000      106000.00      40.144      -8.993      31.151   7.20 0.000 1.000 0.300 2.230     364.205     400.000       8.678   52 
-    540000      108000.00      38.078      -7.942      30.136   4.36 0.000 1.000 0.227 2.161     345.464     400.000       9.345   52 
-    550000      110000.00      38.057      15.888      53.946   8.06 0.000 1.000 0.318 2.276     345.276     400.000      10.327   52 
-    560000      112000.00      41.853      -1.385      40.468  11.66 0.000 1.000 0.136 1.166     379.713     400.000      14.179   52 
-    570000      114000.00      38.156      -2.650      35.506   9.72 0.000   NaN   NaN 1.765     346.168     400.000      13.904   52 
-    580000      116000.00      39.405      -6.571      32.834   6.69 0.071 0.667 0.212 1.058     357.503     400.000      11.331   52 
-    590000      118000.00      29.236      -7.402      21.834   5.94 0.071 0.857 0.435 1.866     265.243     400.000       8.048   52 
-    600000      120000.00      47.230       1.161      48.391   5.15 0.000 1.000 0.582 1.180     428.496     400.000       8.173   52 
-    610000      122000.00      33.185      -2.009      31.177   5.53 0.143 0.714 0.435 2.057     301.076     400.000       8.068   52 
-    620000      124000.00      37.475       3.370      40.845   6.41 0.000 1.000 0.273 1.822     339.996     400.000      10.149   52 
-    630000      126000.00      38.436      -3.846      34.590  10.22 0.000   NaN   NaN 3.116     348.708     400.000      14.812   52 
-    640000      128000.00      44.963     -12.994      31.968   5.01 0.143 0.667 0.606 1.259     407.924     400.000       9.116   52 
-    650000      130000.00      41.057     -11.117      29.940   4.64 0.143 0.667 0.591 3.590     372.487     400.000       7.900   52 
-    660000      132000.00      41.478     -10.900      30.578   4.75 0.143 0.333 0.348 2.942     376.309     400.000       7.927   52 
-    670000      134000.00      35.400       4.405      39.806  10.02 0.000 1.000 0.136 1.850     321.169     400.000      13.676   52 
-    680000      136000.00      33.095     -11.236      21.859   7.86 0.071 0.000 0.136 1.392     300.257     400.000      12.171   52 
-    690000      138000.00      35.405      -5.997      29.408   6.34 0.000 1.000 0.136 1.409     321.210     400.000       9.400   52 
-    700000      140000.00      43.854     -11.384      32.470   8.02 0.143 0.714 0.312 1.840     397.870     400.000       9.790   52 
-    710000      142000.00      36.679      -7.213      29.466   7.70 0.000   NaN   NaN 1.564     332.775     370.000      11.327   52 
-    720000      144000.00      37.198      -8.300      28.898   9.22 0.071 0.667 0.182 2.119     337.478     370.000      11.558   52 
-    730000      146000.00      29.084      -1.566      27.518   9.02 0.000   NaN   NaN 0.911     263.869     370.000      12.431   52 
-    740000      148000.00      34.061      -3.542      30.519   5.22 0.000 1.000 0.250 1.123     309.015     370.000       9.395   52 
-    750000      150000.00      34.719      -4.872      29.847   8.74 0.000 1.000 0.273 3.166     314.990     370.000      12.090   52 
-    760000      152000.00      42.952       5.713      48.664   7.91 0.000 1.000 0.182 1.847     389.680     370.000      12.885   52 
-    770000      154000.00      32.761     -23.491       9.270   4.74 0.214 0.667 0.439 2.851     297.226     370.000       8.065   52 
-    780000      156000.00      43.406     -11.636      31.770   6.19 0.071 0.667 0.227 2.036     393.803     370.000       9.431   52 
-    790000      158000.00      33.089      -1.431      31.657   5.90 0.071 0.800 0.473 2.230     300.196     370.000       8.051   52 
-    800000      160000.00      27.273      -9.227      18.046   5.97 0.000 1.000 0.391 1.609     247.437     370.000       8.470   52 
-    810000      162000.00      39.364     -29.452       9.911   7.16 0.286 0.500 0.318 1.602     357.127     350.000       7.210   52 
-    820000      164000.00      33.402     -16.881      16.521   5.38 0.143 0.500 0.455 1.490     303.038     350.000       8.653   52 
-    830000      166000.00      36.109     -16.759      19.350   5.25 0.214 0.571 0.344 1.510     327.596     350.000       7.633   52 
-    840000      168000.00      35.187     -12.851      22.336   7.45 0.071 0.833 0.447 1.439     319.235     350.000       7.613   52 
-    850000      170000.00      31.063     -11.714      19.349  10.96 0.071 0.500 0.136 1.554     281.819     350.000      13.643   52 
-    860000      172000.00      35.053     -21.862      13.191   5.38 0.214 0.625 0.295 1.319     318.018     350.000       7.190   52 
-    870000      174000.00      34.572     -14.090      20.481   6.98 0.143 0.667 0.311 1.402     313.652     350.000       7.810   52 
-    880000      176000.00      36.329      -9.227      27.102   8.48 0.143 0.000 0.136 1.582     329.597     350.000      10.602   52 
-    890000      178000.00      43.038     -19.876      23.163   4.84 0.286 0.333 0.371 1.455     390.467     350.000       8.375   52 
-    900000      180000.00      36.863      -5.407      31.456   5.40 0.000 1.000 0.303 1.490     334.439     350.000       7.809   52 
-    910000      182000.00      39.058     -27.330      11.727   4.80 0.286 0.636 0.285 1.085     354.351     350.000       7.540   52 
-    920000      184000.00      37.399     -20.693      16.706   5.11 0.214 0.625 0.466 0.935     339.305     350.000       7.942   52 
-    930000      186000.00      36.726     -20.088      16.639   5.46 0.071 0.857 0.221 3.382     333.201     350.000       7.944   52 
-    940000      188000.00      32.421     -18.939      13.482   4.87 0.071 0.800 0.600 1.938     294.141     350.000       7.408   52 
-    950000      190000.00      34.543     -14.244      20.300   4.23 0.214 0.625 0.352 1.516     313.394     350.000       7.590   52 
-    960000      192000.00      40.258     -23.678      16.580   4.05 0.214 0.571 0.331 1.333     365.240     350.000       8.608   52 
-    970000      194000.00      29.987      -7.397      22.590   4.22 0.214 0.500 0.341 1.780     272.056     350.000       8.869   52 
-    980000      196000.00      29.844     -15.396      14.448   4.87 0.143 0.667 0.227 1.898     270.762     350.000       7.627   52 
-    990000      198000.00      25.217      -6.885      18.332   5.38 0.143 0.600 0.227 1.852     228.785     350.000       8.073   52 
-   1000000      200000.00      40.925     -15.313      25.611   5.11 0.000 1.000 0.333 3.686     371.291     350.000       8.342   52 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB053.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB053.stat
deleted file mode 100644
index 404f54a..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB053.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      42.260      20.934      63.194  12.87 0.000   NaN   NaN 0.931     383.404     380.000      15.552   53 
-     10000        2000.00      41.293      -4.309      36.984   9.13 0.071 0.500 0.159 2.767     374.629     380.000      11.507   53 
-     20000        4000.00      29.906      -0.331      29.575   7.23 0.071 0.750 0.182 0.651     271.327     380.000      10.743   53 
-     30000        6000.00      41.493     -12.160      29.333   7.49 0.000 1.000 0.352 1.020     376.443     380.000       8.556   53 
-     40000        8000.00      35.375      -6.540      28.835   5.69 0.000 1.000 0.273 2.422     320.943     380.000       8.813   53 
-     50000       10000.00      44.460      -0.069      44.391   5.80 0.071 0.875 0.455 2.631     403.365     380.000       7.773   53 
-     60000       12000.00      31.663      -3.677      27.986   6.06 0.071 0.667 0.227 1.860     287.260     380.000      10.255   53 
-     70000       14000.00      38.106       7.687      45.793  10.84 0.000 1.000 0.182 1.709     345.713     380.000      13.620   53 
-     80000       16000.00      37.708      -4.619      33.089   9.34 0.000   NaN   NaN 1.126     342.103     380.000      11.136   53 
-     90000       18000.00      40.058       0.773      40.831   9.65 0.071 0.000 0.136 2.775     363.430     380.000      12.522   53 
-    100000       20000.00      30.994       5.400      36.394   5.99 0.143 0.333 0.424 2.156     281.193     380.000      10.829   53 
-    110000       22000.00      30.478     -14.217      16.261   5.78 0.143 0.667 0.356 0.973     276.512     370.000       7.697   53 
-    120000       24000.00      36.825     -12.664      24.160   7.17 0.000   NaN   NaN 2.049     334.095     370.000      11.957   53 
-    130000       26000.00      44.376      -5.804      38.572  10.10 0.000   NaN   NaN 1.676     402.599     370.000      14.543   53 
-    140000       28000.00      46.610      -3.686      42.923   6.19 0.143 0.714 0.383 1.895     422.869     370.000       7.819   53 
-    150000       30000.00      42.461     -10.345      32.116   5.30 0.143 0.333 0.167 2.002     385.229     370.000      10.234   53 
-    160000       32000.00      32.583     -18.156      14.428   5.29 0.071 0.750 0.398 1.980     295.614     370.000       8.492   53 
-    170000       34000.00      37.786      -8.674      29.112   5.66 0.000 1.000 0.426 1.808     342.817     370.000       8.221   53 
-    180000       36000.00      34.291     -14.930      19.361   6.33 0.071 0.875 0.443 1.063     311.105     370.000       7.420   53 
-    190000       38000.00      35.191      -6.781      28.410   5.77 0.143 0.600 0.236 1.901     319.269     370.000       8.476   53 
-    200000       40000.00      31.057      -7.653      23.404   8.16 0.071 0.667 0.212 1.221     281.768     370.000      10.635   53 
-    210000       42000.00      32.547      -5.740      26.807   6.18 0.071 0.667 0.379 2.829     295.280     370.000       9.053   53 
-    220000       44000.00      33.742     -13.964      19.778   6.30 0.143 0.714 0.273 1.895     306.125     370.000       7.774   53 
-    230000       46000.00      38.326      -7.813      30.513   6.52 0.000 1.000 0.455 3.104     347.718     370.000       7.685   53 
-    240000       48000.00      34.794      -6.675      28.120   9.63 0.214 0.625 0.312 2.627     315.672     370.000      12.216   53 
-    250000       50000.00      28.920     -16.331      12.589   5.62 0.071 0.889 0.389 2.398     262.374     370.000       7.938   53 
-    260000       52000.00      37.300      -3.794      33.506   5.98 0.143 0.500 0.511 4.470     338.402     370.000       7.803   53 
-    270000       54000.00      30.514     -15.131      15.382   5.59 0.071 0.667 0.318 2.935     276.836     370.000       8.153   53 
-    280000       56000.00      26.837       0.698      27.535   6.17 0.071 0.000 0.136 2.370     243.483     370.000      11.100   53 
-    290000       58000.00      37.259       0.798      38.057   7.24 0.000   NaN   NaN 2.809     338.031     370.000      10.984   53 
-    300000       60000.00      37.520     -16.744      20.777   6.43 0.000 1.000 0.523 2.755     340.405     370.000       8.979   53 
-    310000       62000.00      37.089      -2.823      34.266   7.15 0.000   NaN   NaN 2.624     336.492     360.000       9.547   53 
-    320000       64000.00      32.704      -6.484      26.221   5.63 0.000 1.000 0.318 1.025     296.711     360.000       9.985   53 
-    330000       66000.00      32.840       6.390      39.230   5.66 0.000 1.000 0.182 1.466     297.939     360.000       9.846   53 
-    340000       68000.00      43.594     -27.038      16.556   5.72 0.214 0.700 0.459 0.981     395.504     360.000       6.995   53 
-    350000       70000.00      38.427     -13.661      24.767   3.44 0.071 0.833 0.326 1.764     348.632     360.000       8.055   53 
-    360000       72000.00      38.071     -14.673      23.398   4.30 0.214 0.727 0.417 1.442     345.404     360.000       6.785   53 
-    370000       74000.00      36.943      -8.326      28.617   5.50 0.143 0.600 0.382 1.946     335.169     360.000       9.390   53 
-    380000       76000.00      41.975     -10.418      31.557   6.61 0.071 0.000 0.136 2.418     380.819     360.000      10.842   53 
-    390000       78000.00      35.847       9.897      45.743   5.20 0.000 1.000 0.227 1.662     325.218     360.000       9.420   53 
-    400000       80000.00      32.624     -17.045      15.579   4.01 0.071 0.667 0.394 1.751     295.981     360.000       8.062   53 
-    410000       82000.00      36.633     -11.326      25.307   5.72 0.000 1.000 0.455 0.960     332.356     350.000       9.717   53 
-    420000       84000.00      43.817     -17.789      26.028   6.46 0.214 0.700 0.400 2.754     397.526     350.000       7.586   53 
-    430000       86000.00      28.199      -8.781      19.418   5.84 0.000 1.000 0.295 2.820     255.834     350.000       7.841   53 
-    440000       88000.00      30.319     -27.028       3.291   5.75 0.000 1.000 0.328 1.193     275.070     350.000       6.839   53 
-    450000       90000.00      38.932      -0.985      37.947   6.56 0.000 1.000 0.136 2.650     353.208     350.000      10.536   53 
-    460000       92000.00      30.676     -18.726      11.950   6.84 0.143 0.714 0.253 0.971     278.305     350.000       8.700   53 
-    470000       94000.00      42.376       1.278      43.654   6.10 0.000 1.000 0.470 2.109     384.458     350.000       9.643   53 
-    480000       96000.00      38.581     -20.368      18.213   6.08 0.071 0.750 0.352 1.709     350.027     350.000       7.775   53 
-    490000       98000.00      28.962     -15.951      13.011   9.19 0.071 0.750 0.330 1.031     262.761     350.000      11.557   53 
-    500000      100000.00      24.300      -7.807      16.493   8.44 0.071 0.500 0.182 1.378     220.461     350.000      10.849   53 
-    510000      102000.00      39.623       6.550      46.174   7.32 0.071 0.667 0.152 1.544     359.482     350.000       9.470   53 
-    520000      104000.00      30.235     -17.858      12.377   7.65 0.071 0.667 0.152 2.156     274.305     350.000      12.391   53 
-    530000      106000.00      34.479     -11.336      23.143   5.02 0.214 0.250 0.295 1.866     312.811     350.000       9.012   53 
-    540000      108000.00      46.498      -4.170      42.328   5.41 0.071 0.875 0.398 2.751     421.851     350.000       7.787   53 
-    550000      110000.00      26.491     -12.091      14.399   4.51 0.071 0.833 0.470 1.044     240.336     350.000       7.977   53 
-    560000      112000.00      40.947     -14.069      26.878   9.43 0.000 1.000 0.273 1.719     371.495     350.000      11.750   53 
-    570000      114000.00      34.800      -6.522      28.278   9.18 0.071 0.667 0.197 2.040     315.725     350.000      12.045   53 
-    580000      116000.00      31.275       5.532      36.807   6.27 0.071 0.667 0.258 3.348     283.746     350.000       9.049   53 
-    590000      118000.00      34.921      -4.719      30.202   8.64 0.071 0.000 0.136 2.950     316.817     350.000      12.233   53 
-    600000      120000.00      36.792      -3.606      33.186   5.00 0.071 0.667 0.333 1.654     333.800     350.000       9.035   53 
-    610000      122000.00      29.033      -8.329      20.703   5.43 0.143 0.778 0.308 3.061     263.401     340.000       8.259   53 
-    620000      124000.00      34.087     -20.302      13.785   6.23 0.143 0.667 0.500 1.216     309.253     340.000       7.535   53 
-    630000      126000.00      28.094     -10.781      17.314   7.03 0.000 1.000 0.227 1.384     254.886     340.000      10.808   53 
-    640000      128000.00      31.306      -1.147      30.158   5.72 0.071 0.000 0.136 1.080     284.022     340.000      10.746   53 
-    650000      130000.00      30.802     -19.428      11.374   5.40 0.143 0.778 0.409 1.846     279.453     340.000       7.238   53 
-    660000      132000.00      35.536      -8.673      26.863   5.27 0.071 0.667 0.545 0.819     322.402     340.000       8.522   53 
-    670000      134000.00      35.550     -24.526      11.023   4.94 0.071 0.857 0.390 1.696     322.525     340.000       7.716   53 
-    680000      136000.00      35.940     -25.720      10.220   4.52 0.214 0.571 0.279 1.779     326.068     340.000       8.342   53 
-    690000      138000.00      38.443     -13.972      24.471   4.52 0.143 0.714 0.240 1.885     348.771     340.000       7.230   53 
-    700000      140000.00      30.433     -17.648      12.786   5.98 0.071 0.833 0.280 1.956     276.106     340.000       8.140   53 
-    710000      142000.00      37.110      -6.950      30.159   8.35 0.000 1.000 0.227 1.612     336.680     360.000      11.587   53 
-    720000      144000.00      34.066     -17.201      16.864   7.13 0.071 0.750 0.170 1.336     309.063     360.000       8.953   53 
-    730000      146000.00      33.680     -10.590      23.090   6.64 0.143 0.667 0.250 2.402     305.558     360.000       9.537   53 
-    740000      148000.00      30.858     -12.549      18.309   5.20 0.000 1.000 0.432 1.174     279.960     360.000       9.864   53 
-    750000      150000.00      47.236     -11.496      35.740   8.05 0.071 0.500 0.205 1.325     428.549     360.000      10.935   53 
-    760000      152000.00      36.246     -20.566      15.680   5.72 0.143 0.778 0.414 1.092     328.842     360.000       7.331   53 
-    770000      154000.00      38.984     -10.751      28.234   5.33 0.143 0.800 0.295 1.699     353.687     360.000       7.731   53 
-    780000      156000.00      34.423     -16.261      18.161   4.52 0.214 0.400 0.209 1.277     312.299     360.000       8.432   53 
-    790000      158000.00      42.462      -7.025      35.437   6.76 0.071 0.750 0.284 1.495     385.240     360.000       9.527   53 
-    800000      160000.00      33.427     -11.160      22.267   5.47 0.000 1.000 0.227 1.545     303.263     360.000      10.247   53 
-    810000      162000.00      32.549     -10.135      22.414   7.49 0.071 0.500 0.182 1.789     295.302     350.000       9.825   53 
-    820000      164000.00      36.096      -9.486      26.610   5.87 0.143 0.714 0.195 2.356     327.479     350.000       8.206   53 
-    830000      166000.00      33.305     -28.292       5.013   3.84 0.143 0.800 0.314 1.795     302.162     350.000       7.566   53 
-    840000      168000.00      24.355     -16.403       7.951   5.74 0.071 0.857 0.377 1.135     220.959     350.000       7.119   53 
-    850000      170000.00      41.229     -27.023      14.206   4.73 0.214 0.625 0.432 1.442     374.052     350.000       7.169   53 
-    860000      172000.00      33.877     -13.104      20.774   4.54 0.071 0.750 0.352 1.744     307.353     350.000       7.541   53 
-    870000      174000.00      38.844     -11.111      27.733   4.24 0.357 0.167 0.280 2.547     352.411     350.000       8.479   53 
-    880000      176000.00      36.528     -28.539       7.989   6.32 0.143 0.714 0.383 2.391     331.405     350.000       7.177   53 
-    890000      178000.00      23.835     -13.102      10.733   6.44 0.214 0.571 0.227 2.512     216.242     350.000       8.088   53 
-    900000      180000.00      35.323     -13.094      22.229   5.81 0.071 0.833 0.212 3.085     320.470     350.000       8.003   53 
-    910000      182000.00      35.532     -16.622      18.910   5.74 0.000 1.000 0.432 1.807     322.365     400.000       9.012   53 
-    920000      184000.00      44.192       2.016      46.208   5.20 0.071 0.500 0.136 1.893     400.935     400.000       8.624   53 
-    930000      186000.00      38.345      -1.309      37.036   5.66 0.071 0.500 0.159 0.497     347.885     400.000       9.816   53 
-    940000      188000.00      34.634      -2.833      31.801   5.49 0.071 0.667 0.182 2.537     314.220     400.000       9.535   53 
-    950000      190000.00      32.938       2.599      35.537   4.89 0.000 1.000 0.379 1.467     298.834     400.000       8.878   53 
-    960000      192000.00      40.289     -15.983      24.306   5.03 0.143 0.500 0.148 1.303     365.521     400.000       8.430   53 
-    970000      194000.00      40.485       5.029      45.515   5.92 0.000 1.000 0.409 3.280     367.305     400.000       9.800   53 
-    980000      196000.00      30.589     -10.486      20.103   5.67 0.071 0.750 0.557 1.664     277.521     400.000       7.629   53 
-    990000      198000.00      32.540       8.170      40.710   7.38 0.071 0.750 0.295 2.029     295.219     400.000      10.125   53 
-   1000000      200000.00      40.716       0.404      41.121   6.67 0.000   NaN   NaN 1.195     369.399     400.000      11.476   53 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB054.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB054.stat
deleted file mode 100644
index bff2b19..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB054.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      38.057      20.934      58.990  12.87 0.000   NaN   NaN 0.931     345.270     380.000      15.552   54 
-     10000        2000.00      30.667      -8.775      21.891   4.66 0.000 1.000 0.436 1.108     278.222     380.000       8.354   54 
-     20000        4000.00      40.261     -20.308      19.954   5.56 0.143 0.800 0.409 1.641     365.272     380.000       7.556   54 
-     30000        6000.00      42.800     -11.221      31.580   4.89 0.071 0.875 0.375 2.303     388.306     380.000       7.899   54 
-     40000        8000.00      37.093     -10.381      26.713   7.02 0.000 1.000 0.295 1.602     336.530     380.000      10.900   54 
-     50000       10000.00      39.755      -4.727      35.028   7.00 0.000 1.000 0.250 1.649     360.674     380.000       9.778   54 
-     60000       12000.00      36.851     -16.908      19.943   4.88 0.143 0.500 0.261 1.532     334.333     380.000       8.339   54 
-     70000       14000.00      37.722      -4.092      33.629   6.55 0.000 1.000 0.227 2.280     342.229     380.000       9.077   54 
-     80000       16000.00      37.509     -12.297      25.212   4.99 0.286 0.667 0.330 4.916     340.298     380.000       7.084   54 
-     90000       18000.00      42.879      -1.183      41.696   6.18 0.000 1.000 0.424 1.617     389.020     380.000       8.838   54 
-    100000       20000.00      42.158       6.369      48.527   5.57 0.000 1.000 0.318 2.362     382.483     380.000       9.130   54 
-    110000       22000.00      40.498     -18.049      22.450   4.50 0.071 0.667 0.333 1.971     367.423     380.000       8.515   54 
-    120000       24000.00      33.257     -15.197      18.060   5.04 0.071 0.750 0.250 1.986     301.722     380.000       9.318   54 
-    130000       26000.00      40.064      -8.515      31.549   7.80 0.071 0.500 0.205 3.629     363.486     380.000      12.250   54 
-    140000       28000.00      37.975       4.751      42.725   8.79 0.000 1.000 0.136 1.896     344.525     380.000      12.276   54 
-    150000       30000.00      30.118     -12.662      17.455   7.28 0.000 1.000 0.227 2.085     273.244     380.000      11.112   54 
-    160000       32000.00      45.131     -16.758      28.374   4.05 0.143 0.600 0.527 2.704     409.454     380.000       8.792   54 
-    170000       34000.00      33.859     -10.456      23.402   6.58 0.000 1.000 0.439 1.535     307.183     380.000       7.885   54 
-    180000       36000.00      36.237     -10.930      25.308   5.81 0.071 0.000 0.182 2.878     328.764     380.000      10.178   54 
-    190000       38000.00      36.976     -12.840      24.136   6.01 0.071 0.000 0.136 1.968     335.466     380.000      10.113   54 
-    200000       40000.00      35.410      -1.872      33.537   5.41 0.071 0.667 0.303 1.802     321.254     380.000       8.761   54 
-    210000       42000.00      34.341     -13.042      21.299   5.82 0.000 1.000 0.382 2.068     311.555     380.000       7.549   54 
-    220000       44000.00      38.046      -6.146      31.900   5.91 0.000 1.000 0.455 3.318     345.175     380.000       8.816   54 
-    230000       46000.00      35.389      -1.738      33.652   7.00 0.143 0.500 0.148 2.488     321.068     380.000       8.957   54 
-    240000       48000.00      29.514     -12.673      16.841   6.45 0.000 1.000 0.318 2.205     267.763     380.000       8.285   54 
-    250000       50000.00      42.149      -2.579      39.569   5.75 0.000   NaN   NaN 3.245     382.395     380.000       9.667   54 
-    260000       52000.00      37.044      -2.924      34.120   6.10 0.143 0.000 0.159 1.464     336.082     380.000       9.577   54 
-    270000       54000.00      39.716      -7.482      32.234   6.10 0.000 1.000 0.341 1.964     360.325     380.000       9.829   54 
-    280000       56000.00      40.209       0.309      40.518   6.09 0.000 1.000 0.398 2.584     364.793     380.000       7.671   54 
-    290000       58000.00      41.443      -7.601      33.842  11.08 0.071 0.000 0.136 1.199     375.994     380.000      13.797   54 
-    300000       60000.00      36.864      -7.655      29.209   3.87 0.071 0.857 0.448 2.179     334.448     380.000       7.911   54 
-    310000       62000.00      32.931     -10.747      22.183   4.99 0.000 1.000 0.273 1.642     298.763     380.000       9.489   54 
-    320000       64000.00      34.398      -1.186      33.211   6.56 0.143 0.333 0.167 2.889     312.073     380.000       9.070   54 
-    330000       66000.00      31.132     -10.169      20.963  10.38 0.071 0.000 0.136 2.588     282.445     380.000      14.635   54 
-    340000       68000.00      29.963     -14.637      15.326   6.41 0.143 0.333 0.182 2.395     271.841     380.000       7.965   54 
-    350000       70000.00      49.729      -8.826      40.903   5.20 0.143 0.600 0.200 1.558     451.170     380.000       7.965   54 
-    360000       72000.00      29.565      -3.928      25.637   6.39 0.071 0.833 0.311 1.283     268.228     380.000       7.583   54 
-    370000       74000.00      37.321      -6.517      30.804   5.28 0.071 0.000 0.136 1.975     338.596     380.000      10.390   54 
-    380000       76000.00      37.550      -7.198      30.352   8.78 0.000 1.000 0.273 3.357     340.672     380.000      11.190   54 
-    390000       78000.00      34.831      -5.827      29.004   7.34 0.071 0.000 0.136 1.421     316.006     380.000      11.999   54 
-    400000       80000.00      35.233     -19.881      15.353   6.09 0.143 0.778 0.480 3.261     319.656     380.000       7.423   54 
-    410000       82000.00      38.278     -14.933      23.345   5.46 0.143 0.778 0.409 2.809     347.278     370.000       7.451   54 
-    420000       84000.00      28.877     -17.993      10.883   6.43 0.071 0.667 0.182 1.338     261.984     370.000       9.977   54 
-    430000       86000.00      36.144     -27.047       9.097   3.18 0.214 0.625 0.312 1.199     327.916     370.000       7.252   54 
-    440000       88000.00      26.609      -7.027      19.582   6.67 0.071 0.800 0.464 1.414     241.406     370.000       8.341   54 
-    450000       90000.00      29.424     -17.081      12.343   5.27 0.143 0.500 0.420 1.937     266.953     370.000       7.856   54 
-    460000       92000.00      34.534     -12.505      22.029   5.85 0.071 0.667 0.530 1.789     313.314     370.000       8.438   54 
-    470000       94000.00      36.458     -21.232      15.226   7.33 0.000 1.000 0.355 1.594     330.766     370.000       7.296   54 
-    480000       96000.00      34.691     -15.369      19.322   5.13 0.214 0.250 0.295 1.832     314.733     370.000       8.085   54 
-    490000       98000.00      36.685       3.185      39.870   7.91 0.000 1.000 0.227 2.389     332.824     370.000       9.434   54 
-    500000      100000.00      35.208      -3.592      31.616   7.01 0.071 0.750 0.159 0.921     319.425     370.000      11.008   54 
-    510000      102000.00      35.473      10.337      45.810   6.24 0.143 0.600 0.255 3.296     321.832     370.000       7.714   54 
-    520000      104000.00      31.821      -0.298      31.523   4.60 0.214 0.625 0.375 1.694     288.694     370.000       8.889   54 
-    530000      106000.00      38.940     -11.416      27.524   5.22 0.000 1.000 0.455 1.686     353.288     370.000       8.999   54 
-    540000      108000.00      40.881     -21.485      19.395   5.68 0.000 1.000 0.652 2.566     370.891     370.000       8.097   54 
-    550000      110000.00      37.498       1.087      38.585  11.02 0.000   NaN   NaN 1.892     340.204     370.000      13.901   54 
-    560000      112000.00      31.707     -12.289      19.418   6.59 0.143 0.714 0.481 1.822     287.663     370.000       7.452   54 
-    570000      114000.00      33.464      -9.678      23.786   8.60 0.143 0.600 0.164 1.504     303.604     370.000      10.766   54 
-    580000      116000.00      33.635      10.113      43.747   7.95 0.071 0.000 0.136 2.607     305.152     370.000      10.321   54 
-    590000      118000.00      43.267       0.874      44.141   5.23 0.000 1.000 0.432 1.544     392.541     370.000       9.049   54 
-    600000      120000.00      36.227      -0.766      35.460   6.58 0.000 1.000 0.182 2.061     328.667     370.000      11.054   54 
-    610000      122000.00      36.938      -2.609      34.329   4.47 0.071 0.800 0.364 2.082     335.123     360.000       8.547   54 
-    620000      124000.00      29.959     -23.230       6.729   4.07 0.143 0.750 0.318 2.195     271.803     360.000       7.691   54 
-    630000      126000.00      39.271     -13.203      26.068   3.97 0.143 0.600 0.282 1.818     356.289     360.000       8.588   54 
-    640000      128000.00      31.801       2.145      33.946   4.96 0.000 1.000 0.382 1.159     288.513     360.000       7.679   54 
-    650000      130000.00      35.697     -16.713      18.983   3.55 0.214 0.667 0.242 2.209     323.857     360.000       7.547   54 
-    660000      132000.00      37.640     -16.797      20.843   6.32 0.143 0.500 0.295 1.976     341.490     360.000       7.334   54 
-    670000      134000.00      33.528      -9.246      24.281   5.90 0.000 1.000 0.364 0.992     304.181     360.000       8.499   54 
-    680000      136000.00      28.220     -18.576       9.645   5.32 0.286 0.636 0.401 1.157     256.030     360.000       7.567   54 
-    690000      138000.00      35.746      -8.301      27.445   5.31 0.071 0.667 0.348 2.305     324.305     360.000       8.888   54 
-    700000      140000.00      34.976     -18.426      16.550   5.22 0.214 0.571 0.299 0.862     317.324     360.000       7.879   54 
-    710000      142000.00      32.171     -16.270      15.900   5.74 0.071 0.667 0.561 2.187     291.868     350.000      10.178   54 
-    720000      144000.00      29.237     -16.385      12.852   4.78 0.071 0.500 0.636 0.772     265.249     350.000       8.871   54 
-    730000      146000.00      34.381     -10.355      24.026   6.47 0.000 1.000 0.474 1.254     311.923     350.000       7.235   54 
-    740000      148000.00      34.717       3.178      37.895   8.23 0.214 0.769 0.297 1.278     314.971     350.000       8.211   54 
-    750000      150000.00      31.812     -11.214      20.597   4.74 0.000 1.000 0.348 2.738     288.613     350.000       8.911   54 
-    760000      152000.00      36.073     -15.017      21.056   6.44 0.000 1.000 0.341 2.467     327.272     350.000       8.070   54 
-    770000      154000.00      35.629      -9.816      25.813   6.02 0.000 1.000 0.136 1.440     323.248     350.000       9.148   54 
-    780000      156000.00      43.600     -21.161      22.439   5.02 0.286 0.556 0.298 1.381     395.566     350.000       8.906   54 
-    790000      158000.00      37.274     -32.119       5.155   5.16 0.286 0.667 0.371 2.325     338.170     350.000       7.133   54 
-    800000      160000.00      44.097      -7.279      36.817  10.40 0.286 0.000 0.148 3.339     400.068     350.000      13.363   54 
-    810000      162000.00      27.276     -25.959       1.317   5.22 0.071 0.833 0.326 2.180     247.463     340.000       7.682   54 
-    820000      164000.00      35.808      -5.937      29.872   8.36 0.071 0.667 0.152 1.735     324.870     340.000       9.827   54 
-    830000      166000.00      27.281     -21.636       5.645   6.50 0.143 0.500 0.159 1.945     247.504     340.000      10.668   54 
-    840000      168000.00      32.366     -24.014       8.352   5.25 0.143 0.818 0.384 0.853     293.645     340.000       7.149   54 
-    850000      170000.00      31.019     -24.774       6.246   5.33 0.143 0.750 0.358 1.435     281.425     340.000       7.873   54 
-    860000      172000.00      35.000     -15.815      19.184   6.65 0.214 0.500 0.303 2.217     317.534     340.000       7.707   54 
-    870000      174000.00      33.316      -5.348      27.969  11.89 0.000   NaN   NaN 2.318     302.264     340.000      14.772   54 
-    880000      176000.00      34.609     -21.342      13.267   4.65 0.143 0.750 0.335 1.504     313.991     340.000       7.271   54 
-    890000      178000.00      32.441     -25.715       6.726   5.65 0.071 0.500 0.136 2.029     294.325     340.000       8.294   54 
-    900000      180000.00      30.339     -28.301       2.038   5.22 0.000 1.000 0.487 2.196     275.249     340.000       8.038   54 
-    910000      182000.00      31.502     -29.980       1.522   4.94 0.143 0.778 0.318 0.793     285.800     340.000       7.408   54 
-    920000      184000.00      26.149     -19.309       6.840   5.59 0.000 1.000 0.364 1.378     237.235     340.000       7.195   54 
-    930000      186000.00      29.869     -26.841       3.028   5.75 0.071 0.500 0.295 1.786     270.985     340.000       8.814   54 
-    940000      188000.00      31.805      -1.532      30.273   8.20 0.000 1.000 0.364 2.261     288.554     340.000      12.141   54 
-    950000      190000.00      25.429     -24.447       0.982   4.99 0.143 0.600 0.255 1.247     230.709     340.000       7.470   54 
-    960000      192000.00      33.988     -14.100      19.888   6.49 0.143 0.667 0.379 0.748     308.355     340.000       6.994   54 
-    970000      194000.00      29.738      -8.140      21.598   4.89 0.286 0.500 0.233 2.837     269.801     340.000       8.208   54 
-    980000      196000.00      32.784     -21.908      10.876   6.57 0.071 0.800 0.273 1.045     297.434     340.000       8.760   54 
-    990000      198000.00      33.303     -12.766      20.538   5.31 0.071 0.750 0.284 4.414     302.146     340.000       8.128   54 
-   1000000      200000.00      26.258     -15.161      11.096   7.13 0.000 1.000 0.323 1.300     238.223     340.000       7.850   54 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB055.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB055.stat
deleted file mode 100644
index d4fe17e..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB055.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      36.921      20.934      57.855  12.87 0.000   NaN   NaN 0.931     334.968     380.000      15.552   55 
-     10000        2000.00      33.762       8.063      41.825   7.70 0.071 0.667 0.182 1.741     306.303     380.000      11.203   55 
-     20000        4000.00      41.503      -3.627      37.876   4.81 0.000 1.000 0.333 1.722     376.535     380.000       8.427   55 
-     30000        6000.00      36.092      -4.977      31.116   4.98 0.071 0.500 0.500 1.309     327.446     380.000       9.058   55 
-     40000        8000.00      44.752      -7.821      36.931   5.29 0.143 0.600 0.336 1.176     406.014     380.000       8.402   55 
-     50000       10000.00      32.297      -3.813      28.484   4.95 0.143 0.667 0.326 1.106     293.019     380.000       8.070   55 
-     60000       12000.00      38.066      -0.052      38.014   6.33 0.071 0.667 0.227 0.875     345.359     380.000      10.157   55 
-     70000       14000.00      36.711       1.093      37.804   5.27 0.071 0.800 0.264 1.039     333.063     380.000       8.034   55 
-     80000       16000.00      32.585      -1.498      31.088  11.21 0.000   NaN   NaN 2.425     295.631     380.000      14.306   55 
-     90000       18000.00      30.655      -9.428      21.228   5.79 0.000 1.000 0.193 3.345     278.120     380.000       8.790   55 
-    100000       20000.00      39.039       4.839      43.878   7.75 0.000   NaN   NaN 1.674     354.181     380.000      12.010   55 
-    110000       22000.00      28.210       1.268      29.478   5.76 0.071 0.667 0.182 0.808     255.937     370.000       8.171   55 
-    120000       24000.00      29.518      -8.464      21.054   9.00 0.143 0.333 0.136 1.723     267.800     370.000      11.899   55 
-    130000       26000.00      42.518      -6.724      35.794   6.55 0.071 0.833 0.386 1.807     385.744     370.000       9.172   55 
-    140000       28000.00      48.291      -1.514      46.777   8.57 0.071 0.750 0.159 2.802     438.125     370.000      10.800   55 
-    150000       30000.00      42.250     -23.883      18.367   5.89 0.143 0.500 0.250 1.597     383.315     370.000       8.751   55 
-    160000       32000.00      42.071     -16.625      25.445   6.71 0.214 0.250 0.250 2.212     381.688     370.000       7.609   55 
-    170000       34000.00      37.853      -9.276      28.577   6.41 0.143 0.714 0.221 2.140     343.424     370.000       8.715   55 
-    180000       36000.00      36.884     -16.191      20.694   4.52 0.143 0.667 0.500 2.070     334.632     370.000       8.545   55 
-    190000       38000.00      34.034      -9.734      24.299   6.65 0.071 0.667 0.182 0.985     308.770     370.000       9.732   55 
-    200000       40000.00      41.396      -9.574      31.822   5.81 0.071 0.667 0.318 2.282     375.567     370.000       8.125   55 
-    210000       42000.00      29.297      -5.848      23.449   4.78 0.000 1.000 0.205 1.815     265.794     370.000       7.997   55 
-    220000       44000.00      35.781       9.755      45.536   5.58 0.071 0.500 0.682 3.227     324.625     370.000       8.021   55 
-    230000       46000.00      31.023      14.783      45.807   7.42 0.000 1.000 0.545 2.121     281.459     370.000       9.256   55 
-    240000       48000.00      31.348      -6.592      24.756   8.89 0.143 0.500 0.182 3.726     284.404     370.000      11.858   55 
-    250000       50000.00      36.303      -7.635      28.667   7.85 0.000 1.000 0.227 0.962     329.356     370.000      11.660   55 
-    260000       52000.00      40.579      -6.824      33.755   7.41 0.071 0.667 0.227 2.085     368.153     370.000      10.311   55 
-    270000       54000.00      47.469      -9.838      37.631   5.63 0.143 0.714 0.461 1.571     430.663     370.000       7.339   55 
-    280000       56000.00      44.533      -4.433      40.100   6.58 0.071 0.000 0.182 2.841     404.027     370.000       9.939   55 
-    290000       58000.00      45.780      -2.637      43.142   4.94 0.143 0.500 0.170 2.111     415.337     370.000       8.067   55 
-    300000       60000.00      37.482     -23.947      13.535   5.76 0.143 0.333 0.152 1.242     340.059     370.000      10.210   55 
-    310000       62000.00      33.190     -12.020      21.170   4.73 0.143 0.667 0.371 2.777     301.114     370.000       8.991   55 
-    320000       64000.00      27.209      -6.102      21.107   5.77 0.000 1.000 0.394 1.026     246.851     370.000       9.427   55 
-    330000       66000.00      34.644     -12.753      21.891  10.99 0.000 1.000 0.182 1.849     314.309     370.000      15.131   55 
-    340000       68000.00      31.306      -3.609      27.697   8.19 0.071 0.500 0.159 1.781     284.027     370.000      11.737   55 
-    350000       70000.00      42.436      -6.558      35.878   4.36 0.071 0.800 0.182 1.228     385.004     370.000       8.076   55 
-    360000       72000.00      29.692      -6.314      23.377   4.91 0.000 1.000 0.364 1.367     269.379     370.000       9.274   55 
-    370000       74000.00      46.164      -4.190      41.974   6.75 0.143 0.667 0.197 2.021     418.820     370.000       7.850   55 
-    380000       76000.00      40.538      -7.004      33.534   6.80 0.071 0.800 0.373 2.419     367.779     370.000       7.515   55 
-    390000       78000.00      43.748      -6.591      37.157   6.96 0.000 1.000 0.288 1.326     396.904     370.000      10.551   55 
-    400000       80000.00      33.301     -11.405      21.896  11.07 0.071 0.500 0.182 1.261     302.125     370.000      14.361   55 
-    410000       82000.00      25.929      -8.884      17.045   5.96 0.143 0.500 0.170 2.976     235.238     360.000      10.562   55 
-    420000       84000.00      31.364     -12.656      18.708   6.25 0.000 1.000 0.182 1.494     284.555     360.000       8.830   55 
-    430000       86000.00      39.616     -16.556      23.060   5.61 0.071 0.000 0.136 2.581     359.415     360.000       8.498   55 
-    440000       88000.00      35.309      -7.767      27.542   5.12 0.143 0.600 0.382 1.721     320.344     360.000       7.332   55 
-    450000       90000.00      32.800     -14.768      18.032   5.34 0.143 0.833 0.447 2.266     297.575     360.000       7.007   55 
-    460000       92000.00      36.247      -4.679      31.568   7.28 0.143 0.750 0.278 2.125     328.855     360.000       7.500   55 
-    470000       94000.00      40.530     -11.320      29.209   6.15 0.143 0.333 0.212 2.250     367.705     360.000       9.870   55 
-    480000       96000.00      25.320     -13.766      11.554   8.05 0.000 1.000 0.273 2.043     229.720     360.000      10.391   55 
-    490000       98000.00      29.542      -4.983      24.559   7.07 0.286 0.429 0.247 1.782     268.023     360.000      10.246   55 
-    500000      100000.00      31.921      -0.057      31.864   5.69 0.000 1.000 0.432 1.310     289.601     360.000       8.458   55 
-    510000      102000.00      39.518      -4.424      35.094   8.38 0.071 0.000 0.182 2.224     358.531     360.000      11.594   55 
-    520000      104000.00      42.138     -10.608      31.530   4.48 0.000 1.000 0.273 1.254     382.296     360.000       9.127   55 
-    530000      106000.00      37.050      -9.911      27.139   7.88 0.000   NaN   NaN 1.058     336.137     360.000      13.172   55 
-    540000      108000.00      43.742     -11.970      31.772   5.19 0.000 1.000 0.227 1.285     396.848     360.000       8.545   55 
-    550000      110000.00      34.527       1.690      36.218   5.72 0.000 1.000 0.182 1.239     313.248     360.000       7.617   55 
-    560000      112000.00      30.217      -4.377      25.841   4.40 0.214 0.000 0.152 2.444     274.148     360.000       8.353   55 
-    570000      114000.00      32.415     -12.075      20.340   8.73 0.071 0.500 0.205 1.029     294.081     360.000      10.121   55 
-    580000      116000.00      27.902     -16.973      10.930   5.73 0.071 0.875 0.443 1.623     253.145     360.000       7.289   55 
-    590000      118000.00      28.292     -17.363      10.930   5.05 0.214 0.625 0.375 1.692     256.683     360.000       7.463   55 
-    600000      120000.00      37.385     -15.174      22.212   6.28 0.143 0.500 0.193 1.713     339.181     360.000       9.579   55 
-    610000      122000.00      37.794     -11.702      26.092   7.48 0.214 0.250 0.148 1.010     342.884     350.000      11.634   55 
-    620000      124000.00      31.353     -18.912      12.441   4.53 0.214 0.571 0.513 3.940     284.446     350.000       8.210   55 
-    630000      126000.00      37.789     -16.840      20.948   7.19 0.143 0.667 0.303 1.123     342.839     350.000      10.236   55 
-    640000      128000.00      37.921      -2.607      35.314   8.31 0.071 0.500 0.136 2.306     344.043     350.000      12.227   55 
-    650000      130000.00      35.117      -6.353      28.764   5.23 0.143 0.600 0.564 2.620     318.603     350.000       8.299   55 
-    660000      132000.00      46.960     -24.888      22.072   5.92 0.071 0.667 0.591 2.338     426.050     350.000       8.412   55 
-    670000      134000.00      39.085     -15.389      23.696   5.29 0.214 0.727 0.281 1.664     354.601     350.000       7.930   55 
-    680000      136000.00      36.854      -6.478      30.376   7.60 0.000 1.000 0.136 1.249     334.359     350.000      10.841   55 
-    690000      138000.00      32.002      -4.121      27.881   9.25 0.214 0.400 0.173 1.558     290.340     350.000      11.930   55 
-    700000      140000.00      28.436     -11.661      16.775   5.83 0.000 1.000 0.364 1.944     257.988     350.000       8.630   55 
-    710000      142000.00      33.900     -16.175      17.725   5.86 0.071 0.800 0.455 2.325     307.560     340.000       8.327   55 
-    720000      144000.00      29.466     -27.651       1.815   4.67 0.357 0.500 0.305 2.179     267.335     340.000       7.533   55 
-    730000      146000.00      27.181      -3.569      23.612   5.32 0.214 0.500 0.265 1.786     246.598     340.000       8.799   55 
-    740000      148000.00      36.465     -23.124      13.342   4.38 0.071 0.800 0.418 1.692     330.832     340.000       8.583   55 
-    750000      150000.00      30.032     -18.649      11.382   6.72 0.071 0.857 0.273 2.354     272.464     340.000       8.667   55 
-    760000      152000.00      34.468     -15.179      19.288   6.41 0.214 0.500 0.189 2.421     312.708     340.000       9.786   55 
-    770000      154000.00      39.951     -27.205      12.746   3.87 0.143 0.833 0.352 1.190     362.455     340.000       6.905   55 
-    780000      156000.00      31.725      -5.921      25.804   5.58 0.071 0.750 0.307 1.328     287.827     340.000       8.080   55 
-    790000      158000.00      29.941     -23.325       6.616   4.84 0.143 0.750 0.369 0.875     271.644     340.000       7.949   55 
-    800000      160000.00      41.388      -8.806      32.582   5.80 0.071 0.800 0.373 0.980     375.496     340.000       7.659   55 
-    810000      162000.00      28.651     -22.272       6.379   5.43 0.071 0.800 0.409 3.262     259.933     340.000       7.343   55 
-    820000      164000.00      33.748     -27.521       6.227   6.33 0.071 0.857 0.195 1.515     306.177     340.000       7.534   55 
-    830000      166000.00      31.282     -28.588       2.694   5.84 0.214 0.750 0.223 1.697     283.810     340.000       7.207   55 
-    840000      168000.00      32.637      -3.654      28.983  10.31 0.000   NaN   NaN 1.165     296.100     340.000      14.066   55 
-    850000      170000.00      31.711     -19.236      12.475   5.52 0.143 0.750 0.307 1.616     287.703     340.000       8.006   55 
-    860000      172000.00      35.477     -16.179      19.297   5.00 0.214 0.667 0.318 1.940     321.863     340.000       7.770   55 
-    870000      174000.00      33.862     -18.210      15.652   5.43 0.143 0.500 0.273 3.090     307.215     340.000       7.879   55 
-    880000      176000.00      39.740      -5.032      34.708   5.54 0.000 1.000 0.318 1.429     360.539     340.000       7.808   55 
-    890000      178000.00      32.653     -11.871      20.782   6.02 0.000 1.000 0.568 1.512     296.244     340.000       8.116   55 
-    900000      180000.00      28.743     -14.650      14.092   4.09 0.143 0.600 0.291 1.722     260.769     340.000       8.495   55 
-    910000      182000.00      35.623     -33.544       2.080   4.22 0.071 0.909 0.306 1.235     323.193     320.000       6.893   55 
-    920000      184000.00      29.147     -31.945      -2.798   4.94 0.143 0.833 0.386 1.101     264.440     320.000       6.752   55 
-    930000      186000.00      34.498     -19.045      15.454   8.00 0.286 0.333 0.159 1.340     312.984     320.000      10.146   55 
-    940000      188000.00      31.583     -23.827       7.755   4.24 0.286 0.636 0.347 1.129     286.536     320.000       6.974   55 
-    950000      190000.00      30.484     -15.144      15.341   6.23 0.214 0.500 0.212 1.966     276.568     320.000       8.557   55 
-    960000      192000.00      34.683     -25.548       9.135   3.00 0.071 0.800 0.264 1.219     314.666     320.000       8.082   55 
-    970000      194000.00      30.801     -18.986      11.815   6.89 0.214 0.571 0.195 2.177     279.441     320.000       9.191   55 
-    980000      196000.00      37.212     -25.854      11.358   6.17 0.143 0.667 0.167 1.597     337.605     320.000       9.862   55 
-    990000      198000.00      26.472     -34.697      -8.225   5.25 0.286 0.500 0.341 2.179     240.172     320.000       8.244   55 
-   1000000      200000.00      32.934     -10.526      22.408   6.89 0.214 0.700 0.273 1.358     298.791     320.000       7.541   55 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB056.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB056.stat
deleted file mode 100644
index e4214d4..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB056.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      38.647      20.936      59.583  12.87 0.000   NaN   NaN 0.931     350.622     390.000      15.552   56 
-     10000        2000.00      40.749      -5.185      35.564  12.06 0.071 0.750 0.205 1.219     369.692     390.000      15.101   56 
-     20000        4000.00      41.664      -1.939      39.725   8.94 0.143 0.000 0.159 3.165     377.995     390.000      12.299   56 
-     30000        6000.00      40.354      -6.605      33.750   4.11 0.071 0.889 0.480 1.361     366.114     390.000       7.147   56 
-     40000        8000.00      39.431      -1.091      38.340   5.83 0.000 1.000 0.364 3.598     357.739     390.000       8.399   56 
-     50000       10000.00      37.970      -2.879      35.091   8.24 0.000   NaN   NaN 1.087     344.486     390.000      12.623   56 
-     60000       12000.00      31.721       4.475      36.197   9.15 0.143 0.000 0.159 1.679     287.792     390.000      12.472   56 
-     70000       14000.00      39.853      -5.831      34.022   6.09 0.071 0.800 0.364 2.419     361.568     390.000       8.561   56 
-     80000       16000.00      38.991     -11.155      27.836   7.54 0.071 0.833 0.220 1.619     353.750     390.000       8.700   56 
-     90000       18000.00      40.498      -1.153      39.345  10.63 0.071 0.000 0.136 1.853     367.421     390.000      12.719   56 
-    100000       20000.00      34.989      -4.794      30.195   6.46 0.071 0.667 0.318 1.013     317.440     390.000       7.947   56 
-    110000       22000.00      41.135       3.694      44.828   6.56 0.071 0.667 0.182 0.931     373.195     390.000       8.838   56 
-    120000       24000.00      43.402     -10.217      33.185   5.79 0.071 0.500 0.227 1.383     393.767     390.000       9.749   56 
-    130000       26000.00      40.899       2.315      43.214   8.89 0.143 0.000 0.159 2.702     371.055     390.000      12.381   56 
-    140000       28000.00      45.467       5.263      50.731   6.92 0.000   NaN   NaN 2.709     412.503     390.000      11.638   56 
-    150000       30000.00      39.268     -15.229      24.039   6.11 0.143 0.778 0.419 1.446     356.256     390.000       7.603   56 
-    160000       32000.00      41.898      -9.122      32.776   4.18 0.143 0.333 0.485 2.919     380.116     390.000       8.158   56 
-    170000       34000.00      38.590      -0.575      38.015   5.53 0.143 0.600 0.355 1.222     350.111     390.000       7.945   56 
-    180000       36000.00      45.255     -16.766      28.489   6.25 0.071 0.800 0.445 1.381     410.577     390.000       8.084   56 
-    190000       38000.00      38.111      -3.599      34.512   5.28 0.000 1.000 0.307 1.321     345.762     390.000       8.894   56 
-    200000       40000.00      39.089      -2.697      36.392   3.92 0.071 0.500 0.432 1.808     354.634     390.000       8.472   56 
-    210000       42000.00      31.529     -18.915      12.614   5.40 0.143 0.600 0.273 2.180     286.048     390.000       7.831   56 
-    220000       44000.00      39.855      -7.263      32.592   6.55 0.071 0.667 0.424 2.396     361.589     390.000       9.567   56 
-    230000       46000.00      31.977      -2.314      29.663   6.92 0.071 0.000 0.136 1.905     290.112     390.000      10.730   56 
-    240000       48000.00      35.594      -4.744      30.851   5.22 0.071 0.800 0.391 2.555     322.930     390.000       7.715   56 
-    250000       50000.00      34.436      -6.602      27.834   7.48 0.000   NaN   NaN 2.032     312.425     390.000      11.571   56 
-    260000       52000.00      41.401       4.733      46.135   6.70 0.071 0.875 0.290 1.569     375.615     390.000       9.265   56 
-    270000       54000.00      33.227      -5.296      27.931   9.17 0.000 1.000 0.170 0.892     301.455     390.000      11.889   56 
-    280000       56000.00      31.758     -22.168       9.591   6.50 0.071 0.857 0.390 1.485     288.129     390.000       7.585   56 
-    290000       58000.00      47.300      -7.074      40.225   5.36 0.143 0.714 0.383 2.172     429.128     390.000       7.941   56 
-    300000       60000.00      47.843      -1.215      46.628   5.85 0.000 1.000 0.242 2.425     434.057     390.000      10.338   56 
-    310000       62000.00      44.788       8.868      53.656   5.69 0.071 0.750 0.273 2.345     406.343     390.000       9.341   56 
-    320000       64000.00      42.385     -12.710      29.675   5.69 0.071 0.667 0.258 1.932     384.541     390.000       9.761   56 
-    330000       66000.00      41.843     -11.487      30.356   8.70 0.143 0.500 0.159 2.291     379.623     390.000      11.883   56 
-    340000       68000.00      43.322       9.632      52.955   8.11 0.071 0.000 0.136 2.546     393.044     390.000      10.438   56 
-    350000       70000.00      37.805      -3.351      34.454   5.77 0.143 0.500 0.330 2.158     342.989     390.000       8.694   56 
-    360000       72000.00      41.647      -8.248      33.398   5.66 0.071 0.800 0.382 2.090     377.842     390.000       8.148   56 
-    370000       74000.00      26.366      -8.484      17.882  10.22 0.071 0.000 0.136 1.229     239.203     390.000      14.015   56 
-    380000       76000.00      46.449       1.213      47.662   7.80 0.143 0.750 0.222 2.240     421.412     390.000      10.232   56 
-    390000       78000.00      39.794      -1.045      38.749   5.87 0.071 0.750 0.364 1.289     361.028     390.000       9.183   56 
-    400000       80000.00      40.332       3.839      44.171   9.76 0.000 1.000 0.182 2.253     365.909     390.000      13.418   56 
-    410000       82000.00      42.481     -14.970      27.511   6.59 0.000 1.000 0.409 1.124     385.405     380.000       8.408   56 
-    420000       84000.00      31.257     -10.397      20.860   4.87 0.143 0.600 0.273 1.828     283.579     380.000       7.868   56 
-    430000       86000.00      32.932     -16.352      16.580   4.70 0.143 0.667 0.333 1.170     298.774     380.000       8.338   56 
-    440000       88000.00      40.128      -0.916      39.212   5.54 0.071 0.800 0.436 1.979     364.062     380.000       7.790   56 
-    450000       90000.00      40.495       1.364      41.858   5.41 0.000 1.000 0.182 2.224     367.388     380.000       9.058   56 
-    460000       92000.00      43.036     -12.896      30.140   4.01 0.071 0.857 0.383 2.631     390.444     380.000       7.822   56 
-    470000       94000.00      30.626      -4.606      26.021   5.54 0.071 0.800 0.655 2.372     277.859     380.000       9.510   56 
-    480000       96000.00      35.990     -10.848      25.142   5.01 0.214 0.571 0.182 2.788     326.519     380.000       7.745   56 
-    490000       98000.00      38.826     -10.504      28.323   5.88 0.071 0.000 0.136 1.047     352.254     380.000      10.801   56 
-    500000      100000.00      31.726     -20.545      11.181   6.51 0.000 1.000 0.352 0.947     287.837     380.000       7.519   56 
-    510000      102000.00      32.207      -6.590      25.617   4.96 0.000 1.000 0.455 1.727     292.200     370.000       8.466   56 
-    520000      104000.00      38.796     -18.279      20.517  10.01 0.071 0.500 0.182 2.098     351.978     370.000      12.792   56 
-    530000      106000.00      34.749     -10.710      24.039   4.93 0.071 0.800 0.209 1.778     315.265     370.000       7.652   56 
-    540000      108000.00      37.404      -7.399      30.005   6.85 0.143 0.600 0.300 1.896     339.350     370.000       7.495   56 
-    550000      110000.00      42.629       6.542      49.171   5.33 0.071 0.667 0.409 3.466     386.748     370.000       9.269   56 
-    560000      112000.00      29.789     -10.916      18.873   7.72 0.071 0.750 0.205 1.538     270.261     370.000      11.646   56 
-    570000      114000.00      36.520       2.019      38.540   7.38 0.071 0.000 0.136 1.544     331.332     370.000      11.657   56 
-    580000      116000.00      26.977      -8.975      18.002   8.21 0.000 1.000 0.318 1.526     244.747     370.000      10.249   56 
-    590000      118000.00      30.530     -15.937      14.593   4.49 0.071 0.833 0.326 1.995     276.984     370.000       7.954   56 
-    600000      120000.00      38.609     -20.182      18.427   3.97 0.286 0.500 0.307 2.438     350.281     370.000       7.369   56 
-    610000      122000.00      35.548      -4.881      30.667   6.55 0.000 1.000 0.398 1.624     322.507     370.000       8.828   56 
-    620000      124000.00      40.793     -11.431      29.361   4.11 0.000 1.000 0.173 1.983     370.092     370.000       7.713   56 
-    630000      126000.00      35.185      -5.608      29.577   5.60 0.143 0.600 0.300 1.678     319.218     370.000       7.610   56 
-    640000      128000.00      41.789      -8.306      33.483   4.51 0.071 0.875 0.506 2.347     379.133     370.000       8.211   56 
-    650000      130000.00      47.062      -4.466      42.597   3.80 0.214 0.667 0.500 1.715     426.972     370.000       8.077   56 
-    660000      132000.00      36.395     -12.611      23.785   7.44 0.071 0.833 0.311 2.323     330.197     370.000       8.812   56 
-    670000      134000.00      41.035      -4.066      36.969  11.14 0.000 1.000 0.136 0.824     372.294     370.000      14.400   56 
-    680000      136000.00      32.572     -15.837      16.735   6.18 0.214 0.400 0.145 2.692     295.510     370.000       9.877   56 
-    690000      138000.00      38.367     -11.965      26.402   6.07 0.000 1.000 0.540 3.107     348.081     370.000       7.542   56 
-    700000      140000.00      36.866     -20.384      16.482   5.23 0.071 0.667 0.333 1.854     334.467     370.000       7.854   56 
-    710000      142000.00      40.333      -4.348      35.985   4.12 0.000 1.000 0.352 1.963     365.922     360.000       7.502   56 
-    720000      144000.00      32.225       1.007      33.232   4.86 0.000 1.000 0.602 1.902     292.362     360.000       8.336   56 
-    730000      146000.00      45.009     -24.351      20.657   5.74 0.071 0.923 0.416 2.053     408.341     360.000       7.358   56 
-    740000      148000.00      23.245     -15.842       7.403   5.03 0.143 0.500 0.659 1.023     210.889     360.000       8.344   56 
-    750000      150000.00      46.314     -12.752      33.561   4.25 0.143 0.600 0.355 1.494     420.181     360.000       8.058   56 
-    760000      152000.00      30.192      -3.470      26.722   4.61 0.000 1.000 0.318 2.146     273.917     360.000       9.205   56 
-    770000      154000.00      28.635     -16.740      11.895   5.72 0.143 0.600 0.191 1.707     259.791     360.000       8.581   56 
-    780000      156000.00      33.970      -6.255      27.715   4.73 0.071 0.750 0.307 1.924     308.189     360.000       7.123   56 
-    790000      158000.00      38.696      -8.472      30.223   5.79 0.071 0.857 0.422 1.291     351.068     360.000       7.328   56 
-    800000      160000.00      31.813      -7.161      24.652   5.21 0.000 1.000 0.424 1.315     288.623     360.000       7.645   56 
-    810000      162000.00      35.430      -5.279      30.151   5.54 0.000 1.000 0.330 3.128     321.437     400.000       7.960   56 
-    820000      164000.00      37.084       3.390      40.474   7.36 0.071 0.750 0.307 2.136     336.444     400.000       7.958   56 
-    830000      166000.00      37.078      -7.704      29.375   5.84 0.143 0.500 0.659 1.746     336.395     400.000       8.807   56 
-    840000      168000.00      56.450     -12.398      44.051   7.45 0.071 0.800 0.427 2.844     512.142     400.000       7.435   56 
-    850000      170000.00      27.635       6.532      34.167  10.32 0.000 1.000 0.136 2.777     250.720     400.000      14.141   56 
-    860000      172000.00      34.827      -4.373      30.454   7.94 0.000 1.000 0.227 1.782     315.970     400.000      11.130   56 
-    870000      174000.00      34.737       2.349      37.086   6.45 0.000   NaN   NaN 1.192     315.155     400.000      10.362   56 
-    880000      176000.00      46.469     -13.959      32.510   7.35 0.143 0.600 0.218 2.382     421.587     400.000      10.546   56 
-    890000      178000.00      36.603     -14.726      21.877   5.78 0.071 0.750 0.148 2.435     332.082     400.000      10.435   56 
-    900000      180000.00      42.173     -18.494      23.680   6.64 0.214 0.786 0.386 2.139     382.619     400.000       6.972   56 
-    910000      182000.00      37.119      -6.783      30.337   5.48 0.000 1.000 0.182 0.857     336.765     400.000      10.050   56 
-    920000      184000.00      50.740      -3.956      46.783   5.78 0.071 0.833 0.477 1.114     460.336     400.000       7.471   56 
-    930000      186000.00      38.872       2.655      41.527   4.85 0.000 1.000 0.341 1.134     352.669     400.000       9.614   56 
-    940000      188000.00      36.721      -7.679      29.042   5.96 0.143 0.818 0.393 1.851     333.156     400.000       6.859   56 
-    950000      190000.00      42.609      -0.089      42.520   6.77 0.000 1.000 0.318 1.942     386.569     400.000       8.704   56 
-    960000      192000.00      37.853     -10.646      27.207   7.46 0.071 0.000 0.227 2.015     343.426     400.000      10.389   56 
-    970000      194000.00      36.250      -1.753      34.497   7.43 0.000   NaN   NaN 2.321     328.876     400.000      10.091   56 
-    980000      196000.00      35.284      -3.989      31.295   6.03 0.000 1.000 0.333 1.867     320.113     400.000       8.556   56 
-    990000      198000.00      44.718       0.996      45.714  10.03 0.000   NaN   NaN 1.216     405.705     400.000      13.706   56 
-   1000000      200000.00      33.140       2.964      36.104   7.99 0.071 0.000 0.136 1.998     300.660     400.000      12.634   56 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB057.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB057.stat
deleted file mode 100644
index 8a46300..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB057.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      46.331      20.936      67.267  12.87 0.000   NaN   NaN 0.931     420.337     390.000      15.552   57 
-     10000        2000.00      38.434       0.923      39.358   5.61 0.143 0.667 0.576 1.716     348.698     390.000       7.818   57 
-     20000        4000.00      37.701      -6.209      31.492   7.98 0.071 0.667 0.288 2.113     342.040     390.000       9.656   57 
-     30000        6000.00      41.624     -20.109      21.516   5.59 0.071 0.750 0.352 0.827     377.639     390.000       8.583   57 
-     40000        8000.00      37.552     -17.184      20.368   5.74 0.071 0.000 0.545 1.194     340.692     390.000       9.834   57 
-     50000       10000.00      44.147       0.407      44.553   9.81 0.000   NaN   NaN 2.542     400.522     390.000      13.927   57 
-     60000       12000.00      33.564      -5.934      27.630   5.31 0.143 0.500 0.182 2.137     304.514     390.000       8.622   57 
-     70000       14000.00      35.278       5.762      41.041   7.67 0.143 0.000 0.159 2.860     320.063     390.000      11.977   57 
-     80000       16000.00      45.407     -12.028      33.379   5.71 0.214 0.250 0.170 2.198     411.951     390.000       8.477   57 
-     90000       18000.00      37.568       3.124      40.692   8.29 0.000   NaN   NaN 2.445     340.833     390.000      12.008   57 
-    100000       20000.00      50.609      -4.839      45.770   9.65 0.000 1.000 0.250 2.024     459.155     390.000      12.857   57 
-    110000       22000.00      43.738      -1.192      42.546   6.10 0.000 1.000 0.136 1.582     396.817     380.000      10.303   57 
-    120000       24000.00      35.228      -3.057      32.171   9.84 0.000 1.000 0.136 1.081     319.602     380.000      13.571   57 
-    130000       26000.00      41.702      -0.209      41.493   7.31 0.000 1.000 0.394 1.770     378.339     380.000       7.914   57 
-    140000       28000.00      41.876     -11.771      30.106   8.07 0.000 1.000 0.250 1.628     379.923     380.000      12.420   57 
-    150000       30000.00      38.663      -0.148      38.515   8.19 0.000   NaN   NaN 2.159     350.771     380.000      12.531   57 
-    160000       32000.00      42.022      -4.975      37.048   5.42 0.000 1.000 0.288 4.159     381.249     380.000       9.181   57 
-    170000       34000.00      42.618     -16.528      26.090   9.45 0.071 0.800 0.245 1.187     386.650     380.000      10.937   57 
-    180000       36000.00      36.899     -13.520      23.379   6.78 0.071 0.750 0.193 1.400     334.770     380.000      10.169   57 
-    190000       38000.00      38.422      -2.134      36.288   5.55 0.071 0.500 0.432 1.182     348.588     380.000       8.834   57 
-    200000       40000.00      37.628      -0.297      37.330   7.97 0.071 0.667 0.197 2.552     341.379     380.000      10.021   57 
-    210000       42000.00      38.413     -12.289      26.123   4.45 0.071 0.667 0.439 2.828     348.500     370.000       9.282   57 
-    220000       44000.00      28.868      -6.629      22.239  10.66 0.214 0.000 0.136 1.142     261.907     370.000      13.732   57 
-    230000       46000.00      27.563     -11.859      15.704   8.24 0.000 1.000 0.182 2.812     250.062     370.000      11.373   57 
-    240000       48000.00      37.619      -9.880      27.739   6.06 0.071 0.000 0.136 0.905     341.299     370.000      10.044   57 
-    250000       50000.00      28.096      -0.026      28.070   8.47 0.000 1.000 0.182 2.440     254.902     370.000      12.034   57 
-    260000       52000.00      37.975      -9.662      28.313   6.44 0.071 0.833 0.470 2.091     344.530     370.000       7.133   57 
-    270000       54000.00      37.792     -10.423      27.369   7.50 0.000 1.000 0.182 2.637     342.870     370.000      10.844   57 
-    280000       56000.00      30.278     -12.885      17.393   4.18 0.143 0.778 0.323 1.377     274.701     370.000       7.727   57 
-    290000       58000.00      40.904      -8.326      32.579   6.84 0.000 1.000 0.333 1.012     371.107     370.000       8.819   57 
-    300000       60000.00      37.509     -16.036      21.473   8.85 0.000 1.000 0.318 1.073     340.305     370.000      10.850   57 
-    310000       62000.00      36.425     -17.940      18.485   4.58 0.071 0.800 0.191 2.218     330.466     360.000       8.719   57 
-    320000       64000.00      31.578      -1.386      30.192   9.32 0.071 0.000 0.182 3.390     286.493     360.000      12.818   57 
-    330000       66000.00      26.584      -8.773      17.811   5.59 0.143 0.714 0.312 1.755     241.187     360.000       7.813   57 
-    340000       68000.00      37.543     -11.501      26.042   6.83 0.071 0.000 0.136 2.220     340.609     360.000      10.097   57 
-    350000       70000.00      32.396       0.879      33.275   5.14 0.000 1.000 0.205 2.573     293.915     360.000       8.543   57 
-    360000       72000.00      39.885     -12.023      27.862   4.70 0.143 0.667 0.364 1.565     361.861     360.000       8.537   57 
-    370000       74000.00      38.402     -29.739       8.663   4.61 0.286 0.714 0.364 1.994     348.404     360.000       6.765   57 
-    380000       76000.00      35.728      -4.063      31.665   5.97 0.000   NaN   NaN 1.100     324.145     360.000       9.423   57 
-    390000       78000.00      32.639     -13.263      19.376   6.29 0.000 1.000 0.373 1.733     296.120     360.000       7.828   57 
-    400000       80000.00      29.636     -15.413      14.223   7.41 0.071 0.000 0.136 0.735     268.871     360.000      11.493   57 
-    410000       82000.00      36.268      -1.207      35.060   7.15 0.000 1.000 0.295 1.637     329.040     350.000       9.430   57 
-    420000       84000.00      29.638     -17.944      11.695   4.47 0.071 0.750 0.216 1.376     268.895     350.000       7.911   57 
-    430000       86000.00      34.495     -16.293      18.202   6.89 0.000 1.000 0.227 1.981     312.955     350.000       8.426   57 
-    440000       88000.00      30.214     -25.751       4.463   6.42 0.000 1.000 0.331 2.336     274.117     350.000       7.454   57 
-    450000       90000.00      34.843     -22.228      12.615   4.36 0.214 0.727 0.471 1.457     316.113     350.000       7.248   57 
-    460000       92000.00      29.641     -20.223       9.417   6.19 0.214 0.625 0.250 2.233     268.918     350.000       8.399   57 
-    470000       94000.00      37.130      -9.965      27.165   5.64 0.071 0.750 0.227 2.040     336.859     350.000       9.745   57 
-    480000       96000.00      39.340     -24.649      14.690   6.32 0.071 0.800 0.409 1.637     356.908     350.000       8.783   57 
-    490000       98000.00      35.166     -11.229      23.936   5.07 0.143 0.333 0.167 1.419     319.041     350.000       9.445   57 
-    500000      100000.00      35.621     -11.329      24.291   6.25 0.000 1.000 0.205 1.524     323.170     350.000      10.095   57 
-    510000      102000.00      35.915       5.319      41.234   6.10 0.071 0.000 0.136 4.804     325.842     340.000      10.365   57 
-    520000      104000.00      30.259     -26.012       4.246   3.97 0.143 0.750 0.449 1.498     274.521     340.000       7.431   57 
-    530000      106000.00      37.772     -22.722      15.051   5.81 0.143 0.846 0.437 1.271     342.691     340.000       7.020   57 
-    540000      108000.00      27.913     -14.929      12.984   5.35 0.071 0.833 0.462 1.710     253.243     340.000       8.493   57 
-    550000      110000.00      34.064     -23.948      10.115   5.72 0.000 1.000 0.152 1.965     309.042     340.000      10.024   57 
-    560000      112000.00      36.503     -18.635      17.868   2.96 0.214 0.400 0.282 0.329     331.170     340.000       7.225   57 
-    570000      114000.00      33.829     -12.079      21.750   4.94 0.071 0.889 0.313 1.839     306.915     340.000       8.164   57 
-    580000      116000.00      34.264     -24.831       9.433   4.94 0.214 0.667 0.343 2.210     310.858     340.000       7.147   57 
-    590000      118000.00      34.198     -13.786      20.413   7.34 0.143 0.778 0.258 3.668     310.265     340.000       9.551   57 
-    600000      120000.00      38.696     -24.398      14.298   3.68 0.214 0.727 0.318 2.294     351.073     340.000       7.363   57 
-    610000      122000.00      33.089     -26.806       6.283   4.21 0.214 0.750 0.341 1.744     300.202     340.000       7.202   57 
-    620000      124000.00      34.464     -18.488      15.976   5.07 0.143 0.800 0.423 1.237     312.674     340.000       6.949   57 
-    630000      126000.00      42.588     -17.113      25.475   3.76 0.286 0.667 0.299 2.360     386.383     340.000       6.880   57 
-    640000      128000.00      33.193      -6.469      26.724   9.89 0.071 0.500 0.159 2.687     301.147     340.000      12.848   57 
-    650000      130000.00      40.473     -18.044      22.429   5.39 0.143 0.333 0.212 1.729     367.188     340.000       8.611   57 
-    660000      132000.00      32.788     -17.286      15.502   5.15 0.143 0.600 0.218 3.223     297.471     340.000       8.086   57 
-    670000      134000.00      37.857      -4.863      32.994   9.24 0.143 0.333 0.182 1.813     343.458     340.000      12.276   57 
-    680000      136000.00      30.079     -22.102       7.976   3.62 0.000 1.000 0.326 1.981     272.889     340.000       7.868   57 
-    690000      138000.00      28.272     -17.733      10.539   4.53 0.071 0.750 0.500 2.189     256.498     340.000       9.313   57 
-    700000      140000.00      38.057     -14.247      23.810  10.23 0.071 0.000 0.136 1.270     345.270     340.000      13.710   57 
-    710000      142000.00      41.974     -27.892      14.082   6.73 0.071 0.889 0.389 1.793     380.806     330.000       7.161   57 
-    720000      144000.00      38.055     -30.454       7.601   5.71 0.214 0.750 0.405 1.426     345.250     330.000       7.221   57 
-    730000      146000.00      29.970     -15.967      14.003   5.70 0.071 0.857 0.312 1.626     271.899     330.000       8.041   57 
-    740000      148000.00      34.234     -18.625      15.609   5.83 0.214 0.500 0.348 1.456     310.585     330.000       7.877   57 
-    750000      150000.00      23.760     -22.129       1.632   4.88 0.071 0.833 0.394 2.291     215.566     330.000       7.774   57 
-    760000      152000.00      33.127     -29.128       4.000   4.20 0.143 0.800 0.341 1.894     300.548     330.000       7.393   57 
-    770000      154000.00      27.455     -21.548       5.906   6.64 0.143 0.714 0.182 2.788     249.084     330.000       7.969   57 
-    780000      156000.00      35.758     -17.720      18.038   5.61 0.143 0.667 0.477 2.093     324.416     330.000       8.103   57 
-    790000      158000.00      30.458     -26.893       3.565   6.42 0.000 1.000 0.398 1.349     276.328     330.000       8.066   57 
-    800000      160000.00      41.150     -22.668      18.482   7.03 0.071 0.750 0.318 2.335     373.331     330.000       9.638   57 
-    810000      162000.00      36.922       2.932      39.854   6.47 0.000 1.000 0.364 2.603     334.972     390.000       9.618   57 
-    820000      164000.00      34.170      -1.349      32.821   5.38 0.143 0.000 0.159 2.250     310.006     390.000       9.424   57 
-    830000      166000.00      37.831      -5.137      32.695   5.95 0.071 0.500 0.227 1.636     343.226     390.000      10.248   57 
-    840000      168000.00      54.346      -1.574      52.772   4.82 0.071 0.833 0.212 2.573     493.051     390.000       8.833   57 
-    850000      170000.00      38.533      -1.575      36.958   7.33 0.143 0.000 0.182 1.164     349.593     390.000      10.768   57 
-    860000      172000.00      44.253      -1.186      43.067   5.69 0.071 0.000 0.182 2.265     401.486     390.000       9.552   57 
-    870000      174000.00      42.920      -6.678      36.241   4.53 0.071 0.667 0.545 1.483     389.390     390.000       8.764   57 
-    880000      176000.00      34.341       3.320      37.661   5.54 0.143 0.714 0.468 3.384     311.557     390.000       7.471   57 
-    890000      178000.00      32.109       2.164      34.272   6.99 0.000 1.000 0.182 2.532     291.306     390.000      10.315   57 
-    900000      180000.00      39.102       2.214      41.317   5.81 0.071 0.000 0.136 0.975     354.756     390.000       9.589   57 
-    910000      182000.00      40.427      -3.998      36.429   6.58 0.000   NaN   NaN 1.055     366.778     390.000       9.658   57 
-    920000      184000.00      39.350      -7.441      31.908   5.22 0.000 1.000 0.273 1.985     357.002     390.000       8.248   57 
-    930000      186000.00      41.401      -2.791      38.610  10.36 0.000 1.000 0.182 0.753     375.612     390.000      13.686   57 
-    940000      188000.00      43.459       1.782      45.242   5.55 0.071 0.833 0.205 2.514     394.287     390.000       9.473   57 
-    950000      190000.00      36.449      -0.559      35.890   9.20 0.071 0.500 0.136 3.196     330.686     390.000      13.615   57 
-    960000      192000.00      38.619       0.877      39.496   7.47 0.071 0.667 0.242 1.853     350.372     390.000       9.354   57 
-    970000      194000.00      42.424       4.159      46.583   6.10 0.143 0.500 0.205 2.316     384.896     390.000       8.235   57 
-    980000      196000.00      34.956     -22.303      12.653   7.56 0.143 0.500 0.170 1.380     317.140     390.000      10.509   57 
-    990000      198000.00      38.595     -15.679      22.917   5.96 0.071 0.800 0.582 1.841     350.156     390.000       8.919   57 
-   1000000      200000.00      30.583       2.065      32.648   5.45 0.000 1.000 0.591 1.198     277.468     390.000       9.163   57 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB058.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB058.stat
deleted file mode 100644
index 92d6541..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB058.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      36.629      20.936      57.565  12.87 0.000   NaN   NaN 0.931     332.317     390.000      15.552   58 
-     10000        2000.00      39.567       6.183      45.749   6.48 0.000 1.000 0.455 1.876     358.969     390.000       9.296   58 
-     20000        4000.00      36.718       0.329      37.046   5.12 0.000 1.000 0.409 1.523     333.121     390.000       9.185   58 
-     30000        6000.00      42.378     -11.511      30.867   6.59 0.143 0.750 0.438 2.118     384.477     390.000       7.311   58 
-     40000        8000.00      42.407     -14.595      27.812   8.92 0.000 1.000 0.250 3.241     384.739     390.000      11.707   58 
-     50000       10000.00      44.241      -4.173      40.068   8.78 0.071 0.500 0.159 1.803     401.379     390.000      12.080   58 
-     60000       12000.00      34.151      -5.354      28.798   9.87 0.071 0.667 0.167 1.947     309.839     390.000      12.986   58 
-     70000       14000.00      39.003       3.051      42.054   8.42 0.071 0.667 0.152 1.298     353.853     390.000      12.651   58 
-     80000       16000.00      39.992      -0.986      39.006   5.87 0.143 0.714 0.383 2.207     362.830     390.000       7.400   58 
-     90000       18000.00      42.861      -0.003      42.858   6.46 0.071 0.000 0.136 1.413     388.855     390.000      10.425   58 
-    100000       20000.00      36.736     -17.688      19.048   4.65 0.071 0.833 0.364 4.201     333.288     390.000       8.554   58 
-    110000       22000.00      30.800     -21.803       8.997   7.21 0.071 0.833 0.348 1.577     279.433     390.000       7.382   58 
-    120000       24000.00      41.768     -14.868      26.900   6.53 0.000 1.000 0.318 1.845     378.938     390.000       8.426   58 
-    130000       26000.00      50.819       0.439      51.258   5.07 0.000 1.000 0.500 4.622     461.055     390.000       9.416   58 
-    140000       28000.00      35.372       1.654      37.026   9.70 0.000 1.000 0.136 2.902     320.911     390.000      12.213   58 
-    150000       30000.00      33.237     -15.879      17.357   4.65 0.143 0.600 0.309 1.357     301.539     390.000       7.240   58 
-    160000       32000.00      37.449       6.565      44.014   8.22 0.071 0.500 0.159 1.934     339.753     390.000      10.115   58 
-    170000       34000.00      33.718     -24.153       9.565   3.60 0.214 0.000 0.152 3.760     305.911     390.000       8.193   58 
-    180000       36000.00      28.235       5.203      33.438   8.41 0.071 0.500 0.159 1.424     256.163     390.000      12.544   58 
-    190000       38000.00      34.773      -0.337      34.436   6.92 0.071 0.500 0.182 2.039     315.479     390.000       9.793   58 
-    200000       40000.00      41.598       4.693      46.291  10.92 0.000   NaN   NaN 2.211     377.398     390.000      14.699   58 
-    210000       42000.00      47.810      -4.248      43.562   5.74 0.071 0.800 0.500 2.439     433.755     380.000       9.575   58 
-    220000       44000.00      43.204     -11.479      31.725   6.07 0.000 1.000 0.295 2.485     391.966     380.000       8.286   58 
-    230000       46000.00      42.314       0.986      43.300   7.22 0.000 1.000 0.136 1.687     383.896     380.000      11.722   58 
-    240000       48000.00      42.123       5.516      47.638   6.72 0.000   NaN   NaN 1.551     382.160     380.000      11.811   58 
-    250000       50000.00      34.897      -2.224      32.673   8.81 0.000   NaN   NaN 1.546     316.601     380.000      12.382   58 
-    260000       52000.00      37.075      -9.687      27.388   4.23 0.143 0.667 0.394 0.827     336.360     380.000       8.118   58 
-    270000       54000.00      35.164     -19.433      15.731   4.91 0.000 1.000 0.427 1.075     319.026     380.000       8.458   58 
-    280000       56000.00      37.408     -11.946      25.462   4.53 0.000 1.000 0.333 2.078     339.382     380.000       7.945   58 
-    290000       58000.00      33.528       2.891      36.420   7.81 0.071 0.500 0.227 2.345     304.186     380.000      10.818   58 
-    300000       60000.00      36.521      -7.966      28.554   4.84 0.143 0.000 0.136 1.605     331.334     380.000       9.286   58 
-    310000       62000.00      46.292     -15.776      30.516   4.16 0.214 0.700 0.391 1.081     419.988     400.000       7.212   58 
-    320000       64000.00      31.204      14.528      45.732   9.71 0.000   NaN   NaN 1.270     283.098     400.000      13.446   58 
-    330000       66000.00      43.722       7.427      51.149   6.26 0.071 0.667 0.258 2.764     396.665     400.000       9.224   58 
-    340000       68000.00      45.230       6.017      51.247   8.38 0.000 1.000 0.182 2.592     410.346     400.000      12.232   58 
-    350000       70000.00      36.348     -17.122      19.227   6.26 0.143 0.778 0.399 1.883     329.771     400.000       7.199   58 
-    360000       72000.00      37.284     -24.220      13.064   5.85 0.000 1.000 0.364 1.623     338.262     400.000       7.917   58 
-    370000       74000.00      40.905      15.356      56.261   7.12 0.000 1.000 0.364 1.536     371.107     400.000       9.624   58 
-    380000       76000.00      35.218      15.392      50.611   9.37 0.071 0.000 0.136 2.014     319.519     400.000      11.564   58 
-    390000       78000.00      37.707     -17.475      20.232   4.75 0.071 0.750 0.568 1.954     342.098     400.000       8.805   58 
-    400000       80000.00      43.391       3.130      46.521  10.46 0.000 1.000 0.136 1.330     393.666     400.000      14.203   58 
-    410000       82000.00      34.793     -10.507      24.285   8.27 0.143 0.500 0.193 1.178     315.658     390.000      11.131   58 
-    420000       84000.00      32.999     -14.252      18.746   5.61 0.071 0.800 0.336 2.750     299.382     390.000       7.765   58 
-    430000       86000.00      37.110      -8.167      28.943   5.57 0.000 1.000 0.193 2.405     336.682     390.000      10.127   58 
-    440000       88000.00      38.715      -5.585      33.130   8.67 0.000 1.000 0.250 2.158     351.241     390.000      11.726   58 
-    450000       90000.00      33.364      -7.931      25.433   7.01 0.000 1.000 0.295 2.779     302.700     390.000       8.712   58 
-    460000       92000.00      38.016       3.713      41.729  12.66 0.000   NaN   NaN 1.375     344.901     390.000      16.089   58 
-    470000       94000.00      47.818      -9.942      37.877   8.04 0.071 0.750 0.216 1.848     433.833     390.000      11.507   58 
-    480000       96000.00      41.440      -5.831      35.609   9.08 0.000 1.000 0.136 0.777     375.962     390.000      13.040   58 
-    490000       98000.00      33.730     -13.828      19.902   5.83 0.000 1.000 0.465 3.337     306.014     390.000       7.331   58 
-    500000      100000.00      36.951      -3.562      33.389   5.93 0.071 0.750 0.216 2.286     335.237     390.000       9.874   58 
-    510000      102000.00      39.097       1.548      40.645   5.79 0.143 0.500 0.432 2.596     354.707     370.000       7.812   58 
-    520000      104000.00      40.723     -18.893      21.829   5.21 0.071 0.750 0.545 1.260     369.458     370.000       7.735   58 
-    530000      106000.00      37.226      -1.865      35.361   6.99 0.000 1.000 0.291 3.042     337.737     370.000      11.121   58 
-    540000      108000.00      40.704     -14.215      26.489   4.39 0.071 0.750 0.227 2.852     369.290     370.000       8.278   58 
-    550000      110000.00      29.678      -1.533      28.145   5.49 0.143 0.000 0.455 1.367     269.252     370.000       9.209   58 
-    560000      112000.00      23.108      -0.472      22.636  10.26 0.143 0.000 0.136 2.042     209.644     370.000      13.720   58 
-    570000      114000.00      23.512      -2.568      20.944   7.20 0.071 0.500 0.182 1.255     213.315     370.000      11.074   58 
-    580000      116000.00      31.969      -3.288      28.681   8.66 0.071 0.500 0.159 1.899     290.041     370.000      11.889   58 
-    590000      118000.00      44.114     -12.108      32.006   6.72 0.214 0.250 0.227 1.741     400.226     370.000       9.042   58 
-    600000      120000.00      39.761       6.406      46.167   6.61 0.071 0.667 0.288 3.751     360.730     370.000       8.946   58 
-    610000      122000.00      43.353     -22.265      21.088   5.73 0.143 0.750 0.324 1.832     393.322     360.000       7.074   58 
-    620000      124000.00      30.782     -26.044       4.737   6.70 0.286 0.333 0.159 0.855     279.266     360.000       9.390   58 
-    630000      126000.00      38.366     -29.376       8.990   4.60 0.143 0.714 0.234 1.298     348.079     360.000       7.700   58 
-    640000      128000.00      27.480      -4.428      23.052   6.85 0.071 0.800 0.218 1.791     249.312     360.000      10.063   58 
-    650000      130000.00      30.959       5.958      36.917   9.00 0.000   NaN   NaN 1.045     280.875     360.000      12.854   58 
-    660000      132000.00      36.900     -21.816      15.085   5.00 0.071 0.833 0.318 0.690     334.779     360.000       8.074   58 
-    670000      134000.00      30.941      -1.651      29.290   8.36 0.143 0.600 0.164 2.287     280.710     360.000      10.145   58 
-    680000      136000.00      30.750     -10.916      19.834   4.98 0.071 0.909 0.504 2.567     278.983     360.000       6.705   58 
-    690000      138000.00      35.672      -7.511      28.161   6.50 0.214 0.000 0.152 1.469     323.632     360.000      10.531   58 
-    700000      140000.00      37.545     -15.349      22.196   4.89 0.071 0.800 0.536 1.815     340.627     360.000       8.089   58 
-    710000      142000.00      33.229      -2.187      31.042   8.50 0.071 0.500 0.136 1.660     301.473     400.000      12.895   58 
-    720000      144000.00      31.159      -4.603      26.557   7.92 0.000 1.000 0.136 2.808     282.692     400.000      11.846   58 
-    730000      146000.00      44.272      -2.641      41.631   6.16 0.000 1.000 0.136 2.971     401.659     400.000       7.946   58 
-    740000      148000.00      44.594      -5.428      39.166   6.86 0.071 0.667 0.197 1.865     404.577     400.000      10.805   58 
-    750000      150000.00      49.840     -15.258      34.581   7.64 0.000 1.000 0.330 1.858     452.172     400.000       8.224   58 
-    760000      152000.00      38.300     -10.726      27.574   5.61 0.143 0.333 0.379 2.691     347.476     400.000       8.526   58 
-    770000      154000.00      29.204       5.018      34.222   6.37 0.071 0.500 0.159 1.279     264.952     400.000       9.306   58 
-    780000      156000.00      43.725      -2.130      41.595   6.14 0.143 0.600 0.318 2.054     396.698     400.000       7.547   58 
-    790000      158000.00      37.627       4.505      42.132   5.51 0.071 0.000 0.182 2.626     341.374     400.000       9.601   58 
-    800000      160000.00      38.890       4.960      43.850   6.28 0.071 0.800 0.209 1.607     352.828     400.000       9.034   58 
-    810000      162000.00      42.774       4.296      47.070   5.52 0.071 0.667 0.167 3.347     388.072     400.000       9.678   58 
-    820000      164000.00      30.396      -8.662      21.734   5.21 0.071 0.833 0.273 1.298     275.768     400.000       9.066   58 
-    830000      166000.00      41.300       4.959      46.259   9.20 0.000   NaN   NaN 2.122     374.699     400.000      13.040   58 
-    840000      168000.00      43.901      -5.772      38.130   9.36 0.071 0.667 0.227 2.490     398.296     400.000      11.451   58 
-    850000      170000.00      29.465       1.622      31.087   5.35 0.071 0.500 0.136 3.339     267.324     400.000      10.226   58 
-    860000      172000.00      35.364      -7.379      27.985   6.16 0.000 1.000 0.500 1.515     320.843     400.000       8.790   58 
-    870000      174000.00      45.729       0.188      45.917   7.15 0.071 0.667 0.182 2.747     414.874     400.000      10.599   58 
-    880000      176000.00      48.177       0.335      48.512   7.67 0.000   NaN   NaN 1.835     437.089     400.000      10.918   58 
-    890000      178000.00      41.619      -5.559      36.060   5.53 0.071 0.857 0.442 3.328     377.587     400.000       7.993   58 
-    900000      180000.00      30.923     -11.246      19.677   7.06 0.000 1.000 0.382 1.637     280.546     400.000       7.736   58 
-    910000      182000.00      43.163      -5.599      37.564   5.63 0.071 0.750 0.284 1.997     391.596     400.000       9.627   58 
-    920000      184000.00      40.122      -9.344      30.778   8.29 0.000   NaN   NaN 2.501     364.007     400.000      12.417   58 
-    930000      186000.00      40.495      -3.769      36.726   5.31 0.000 1.000 0.606 2.172     367.392     400.000       9.741   58 
-    940000      188000.00      38.223      -4.101      34.122   6.41 0.214 0.000 0.182 3.867     346.782     400.000       9.169   58 
-    950000      190000.00      30.015       0.676      30.691   7.66 0.000 1.000 0.227 1.945     272.312     400.000      11.639   58 
-    960000      192000.00      29.562      -1.783      27.779   8.58 0.000 1.000 0.136 3.266     268.200     400.000      10.469   58 
-    970000      194000.00      43.914      -2.662      41.253   5.71 0.000   NaN   NaN 4.402     398.414     400.000      10.654   58 
-    980000      196000.00      49.207       2.092      51.299   9.33 0.071 0.500 0.136 2.314     446.430     400.000      12.858   58 
-    990000      198000.00      34.754       0.930      35.684   7.06 0.000 1.000 0.136 2.455     315.310     400.000      12.323   58 
-   1000000      200000.00      40.465      -6.286      34.179   9.77 0.071 0.500 0.159 2.560     367.121     400.000      13.547   58 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB059.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB059.stat
deleted file mode 100644
index 1ada639..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB059.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      35.000      20.936      55.937  12.87 0.000   NaN   NaN 0.931     317.542     390.000      15.552   59 
-     10000        2000.00      46.340     -18.324      28.016   4.09 0.000 1.000 0.318 1.622     420.420     390.000       7.959   59 
-     20000        4000.00      36.200      16.694      52.894   5.82 0.000 1.000 0.136 2.052     328.424     390.000       9.065   59 
-     30000        6000.00      28.939      19.380      48.320   8.47 0.000   NaN   NaN 1.687     262.553     390.000      12.577   59 
-     40000        8000.00      44.310      15.383      59.692  10.99 0.000   NaN   NaN 2.441     402.002     390.000      14.663   59 
-     50000       10000.00      35.738      10.013      45.750   9.67 0.000   NaN   NaN 1.858     324.229     390.000      12.917   59 
-     60000       12000.00      31.252     -14.817      16.435   5.42 0.071 0.500 0.182 2.140     283.532     390.000       8.785   59 
-     70000       14000.00      36.597     -16.278      20.319   6.39 0.000 1.000 0.159 0.922     332.025     390.000       9.369   59 
-     80000       16000.00      36.176     -12.091      24.085   5.65 0.143 0.500 0.261 1.511     328.204     390.000       8.224   59 
-     90000       18000.00      34.310     -25.015       9.295   7.61 0.000 1.000 0.273 1.008     311.280     390.000      11.729   59 
-    100000       20000.00      39.936      -7.371      32.565   8.24 0.071 0.667 0.242 4.210     362.316     390.000       9.729   59 
-    110000       22000.00      39.441       3.961      43.402   6.19 0.000 1.000 0.424 1.564     357.829     380.000       7.503   59 
-    120000       24000.00      32.137      -9.551      22.586   5.69 0.000 1.000 0.432 0.992     291.564     380.000       9.105   59 
-    130000       26000.00      42.776      -5.013      37.763   5.50 0.071 0.750 0.545 1.629     388.088     380.000       8.692   59 
-    140000       28000.00      40.097     -15.810      24.287   6.59 0.000 1.000 0.273 1.913     363.778     380.000       9.767   59 
-    150000       30000.00      41.148      -2.686      38.462   5.29 0.214 0.500 0.492 2.073     373.317     380.000       7.670   59 
-    160000       32000.00      36.586      -2.081      34.505   7.43 0.071 0.667 0.197 1.754     331.926     380.000       9.438   59 
-    170000       34000.00      41.836      -6.621      35.214   6.08 0.143 0.500 0.182 1.182     379.556     380.000       9.385   59 
-    180000       36000.00      37.656      -3.247      34.409   6.01 0.000 1.000 0.500 2.460     341.635     380.000       8.990   59 
-    190000       38000.00      33.669       7.618      41.288  11.73 0.000   NaN   NaN 1.352     305.464     380.000      15.441   59 
-    200000       40000.00      32.879      -5.014      27.865   6.21 0.000 1.000 0.273 1.767     298.295     380.000       8.242   59 
-    210000       42000.00      31.300     -10.278      21.021  11.37 0.143 0.333 0.136 2.287     283.966     380.000      14.386   59 
-    220000       44000.00      43.616       6.657      50.273   8.84 0.000   NaN   NaN 1.128     395.705     380.000      13.526   59 
-    230000       46000.00      38.880      16.389      55.269   7.92 0.143 0.333 0.227 3.000     352.738     380.000       9.799   59 
-    240000       48000.00      29.507     -19.049      10.458   5.35 0.071 0.500 0.727 0.711     267.701     380.000       8.756   59 
-    250000       50000.00      36.165      -2.770      33.395   5.04 0.143 0.500 0.216 2.269     328.107     380.000       7.677   59 
-    260000       52000.00      38.051      -6.878      31.173   8.27 0.000 1.000 0.182 2.356     345.220     380.000      12.571   59 
-    270000       54000.00      35.941       1.570      37.511   4.50 0.071 0.667 0.545 2.142     326.076     380.000       8.823   59 
-    280000       56000.00      47.935      -3.018      44.916   4.74 0.000 1.000 0.182 2.186     434.887     380.000       7.657   59 
-    290000       58000.00      30.855      -4.136      26.720   9.29 0.071 0.000 0.182 1.304     279.935     380.000      12.857   59 
-    300000       60000.00      35.306     -10.613      24.693   5.30 0.071 0.667 0.621 2.357     320.317     380.000       7.942   59 
-    310000       62000.00      38.979     -17.559      21.420   5.21 0.143 0.667 0.477 1.524     353.639     380.000       8.159   59 
-    320000       64000.00      33.905     -16.072      17.833   7.32 0.071 0.750 0.182 0.940     307.604     380.000       9.477   59 
-    330000       66000.00      36.476       7.316      43.791   5.00 0.071 0.667 0.530 0.899     330.925     380.000       9.540   59 
-    340000       68000.00      31.135       0.259      31.395  12.42 0.000   NaN   NaN 1.065     282.476     380.000      15.450   59 
-    350000       70000.00      36.168      -1.650      34.519   5.57 0.071 0.833 0.242 2.836     328.137     380.000       8.387   59 
-    360000       72000.00      41.194     -15.973      25.221   5.97 0.071 0.875 0.369 3.739     373.730     380.000       7.802   59 
-    370000       74000.00      40.998     -12.506      28.492   4.60 0.214 0.400 0.300 1.943     371.957     380.000       7.690   59 
-    380000       76000.00      36.260      -8.849      27.411   5.21 0.000 1.000 0.420 3.278     328.968     380.000       8.001   59 
-    390000       78000.00      42.499      -3.521      38.978   6.28 0.071 0.833 0.273 2.757     385.573     380.000       7.926   59 
-    400000       80000.00      39.765      -6.872      32.892   4.66 0.000 1.000 0.182 2.592     360.768     380.000       8.444   59 
-    410000       82000.00      37.727      -3.467      34.259   5.42 0.143 0.714 0.487 2.987     342.275     370.000       8.930   59 
-    420000       84000.00      32.522     -16.790      15.733   4.61 0.071 0.800 0.527 1.564     295.059     370.000       8.021   59 
-    430000       86000.00      32.867      -5.444      27.423   5.97 0.071 0.833 0.371 1.819     298.184     370.000       8.470   59 
-    440000       88000.00      33.949     -10.372      23.577   4.99 0.071 0.800 0.318 1.471     308.005     370.000       8.064   59 
-    450000       90000.00      42.153      -8.601      33.552   4.42 0.143 0.500 0.375 2.391     382.433     370.000       9.205   59 
-    460000       92000.00      35.084      -7.939      27.145   8.11 0.071 0.667 0.212 1.220     318.299     370.000      11.268   59 
-    470000       94000.00      40.478      -9.606      30.872   5.31 0.071 0.750 0.227 2.039     367.235     370.000       8.976   59 
-    480000       96000.00      35.129       9.772      44.900   5.41 0.071 0.500 0.159 2.700     318.706     370.000      10.235   59 
-    490000       98000.00      35.970       3.061      39.031   6.61 0.143 0.333 0.182 2.086     326.341     370.000      10.754   59 
-    500000      100000.00      38.143      -9.815      28.328   4.61 0.000 1.000 0.295 1.957     346.053     370.000       8.252   59 
-    510000      102000.00      38.077     -11.448      26.629   9.08 0.071 0.500 0.159 1.380     345.451     380.000      12.349   59 
-    520000      104000.00      28.898       6.803      35.700   5.98 0.071 0.800 0.182 1.232     262.174     380.000       8.625   59 
-    530000      106000.00      40.847     -10.579      30.268   5.66 0.000 1.000 0.364 1.626     370.585     380.000       8.752   59 
-    540000      108000.00      44.782       2.120      46.902   7.46 0.071 0.750 0.227 1.340     406.287     380.000       9.133   59 
-    550000      110000.00      31.553       5.238      36.792   6.55 0.000   NaN   NaN 2.295     286.269     380.000      11.372   59 
-    560000      112000.00      36.338       1.095      37.433   8.61 0.071 0.000 0.136 3.940     329.678     380.000      11.592   59 
-    570000      114000.00      47.704      -1.292      46.412   6.93 0.000 1.000 0.333 1.840     432.793     380.000       8.106   59 
-    580000      116000.00      39.255      -3.783      35.472   8.83 0.071 0.000 0.136 1.422     356.144     380.000      13.102   59 
-    590000      118000.00      38.115      -0.056      38.059   8.75 0.000 1.000 0.136 1.072     345.795     380.000      11.918   59 
-    600000      120000.00      34.276      -7.861      26.415   6.60 0.000   NaN   NaN 1.708     310.971     380.000      11.655   59 
-    610000      122000.00      40.344     -10.753      29.591   6.86 0.143 0.667 0.235 0.834     366.021     390.000       8.145   59 
-    620000      124000.00      39.434       6.837      46.271   7.53 0.000 1.000 0.273 1.275     357.764     390.000       9.507   59 
-    630000      126000.00      44.101     -11.399      32.702   6.19 0.000 1.000 0.464 0.969     400.109     390.000       7.627   59 
-    640000      128000.00      40.205      -1.163      39.042   5.01 0.143 0.000 0.159 2.021     364.762     390.000       8.646   59 
-    650000      130000.00      49.379       0.406      49.785   4.97 0.000 1.000 0.318 1.184     447.990     390.000       8.239   59 
-    660000      132000.00      40.464     -14.881      25.583   4.97 0.071 0.833 0.508 1.827     367.114     390.000       7.966   59 
-    670000      134000.00      41.089      -9.327      31.762   6.94 0.071 0.667 0.197 2.396     372.782     390.000       9.669   59 
-    680000      136000.00      37.390     -14.699      22.691   7.93 0.071 0.750 0.432 0.768     339.218     390.000       7.613   59 
-    690000      138000.00      33.453       2.890      36.343   9.97 0.071 0.000 0.136 3.675     303.504     390.000      12.677   59 
-    700000      140000.00      31.827      -8.159      23.668   5.50 0.071 0.500 0.386 1.926     288.751     390.000       9.953   59 
-    710000      142000.00      41.830      -5.547      36.283   6.46 0.071 0.750 0.148 2.421     379.507     400.000      10.766   59 
-    720000      144000.00      38.813      -1.100      37.713   7.36 0.143 0.333 0.152 2.791     352.132     400.000      11.470   59 
-    730000      146000.00      46.987     -10.973      36.014   4.70 0.143 0.500 0.432 2.060     426.292     400.000       8.128   59 
-    740000      148000.00      39.878      -3.291      36.587   9.82 0.000 1.000 0.250 1.383     361.795     400.000      13.059   59 
-    750000      150000.00      32.290      -4.419      27.871   5.35 0.143 0.600 0.527 2.447     292.955     400.000       7.389   59 
-    760000      152000.00      43.100       4.040      47.139   4.77 0.000 1.000 0.341 1.414     391.022     400.000       8.912   59 
-    770000      154000.00      46.275      -4.859      41.416   7.03 0.143 0.500 0.182 2.659     419.829     400.000       7.965   59 
-    780000      156000.00      42.975     -12.036      30.938   5.30 0.000   NaN   NaN 0.215     389.889     400.000      10.031   59 
-    790000      158000.00      37.895      -7.379      30.516   6.61 0.071 0.750 0.318 1.465     343.800     400.000       8.307   59 
-    800000      160000.00      35.375     -11.997      23.377   7.47 0.071 0.800 0.191 1.694     320.936     400.000      10.674   59 
-    810000      162000.00      32.170       3.976      36.146   5.35 0.071 0.500 0.205 2.343     291.865     390.000      10.068   59 
-    820000      164000.00      31.407     -17.516      13.891   5.91 0.143 0.818 0.322 3.522     284.945     390.000       7.086   59 
-    830000      166000.00      44.349     -11.056      33.293   7.35 0.143 0.800 0.355 2.035     402.358     390.000       7.372   59 
-    840000      168000.00      32.251      -9.389      22.862   5.48 0.000 1.000 0.409 1.830     292.600     390.000       8.085   59 
-    850000      170000.00      35.526      -3.034      32.492   5.40 0.000 1.000 0.348 1.988     322.306     390.000       7.965   59 
-    860000      172000.00      39.939       0.608      40.547   7.01 0.000 1.000 0.159 1.662     362.348     390.000      10.974   59 
-    870000      174000.00      40.953       3.118      44.071   6.91 0.000 1.000 0.216 2.166     371.543     390.000      10.316   59 
-    880000      176000.00      31.432     -11.989      19.443   7.32 0.143 0.600 0.182 1.253     285.165     390.000      10.253   59 
-    890000      178000.00      45.097     -16.583      28.513   9.82 0.071 0.000 0.136 2.677     409.141     390.000      12.332   59 
-    900000      180000.00      39.947     -11.150      28.796   6.12 0.143 0.714 0.234 1.624     362.419     390.000       9.499   59 
-    910000      182000.00      43.058       0.685      43.742   9.62 0.000 1.000 0.182 1.553     390.640     380.000      12.897   59 
-    920000      184000.00      42.165      -3.020      39.145   6.17 0.000 1.000 0.227 1.505     382.543     380.000      10.596   59 
-    930000      186000.00      26.437     -17.070       9.367   5.39 0.071 0.800 0.182 1.335     239.853     380.000       9.198   59 
-    940000      188000.00      33.288      -6.662      26.626   4.70 0.071 0.500 0.750 2.171     302.002     380.000       8.141   59 
-    950000      190000.00      35.726     -16.129      19.597   8.00 0.071 0.500 0.182 1.538     324.124     380.000      10.123   59 
-    960000      192000.00      38.475      -7.614      30.862   5.14 0.071 0.800 0.464 1.827     349.067     380.000       8.048   59 
-    970000      194000.00      54.295      12.525      66.820   7.21 0.000   NaN   NaN 1.872     492.592     380.000      11.121   59 
-    980000      196000.00      36.549      -8.621      27.928   5.94 0.143 0.667 0.379 1.520     331.593     380.000       7.494   59 
-    990000      198000.00      46.897       0.262      47.159   5.56 0.143 0.000 0.136 1.657     425.472     380.000      10.311   59 
-   1000000      200000.00      40.308      -2.627      37.681   6.41 0.071 0.667 0.424 2.250     365.698     380.000       7.952   59 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB060.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB060.stat
deleted file mode 100644
index 8dea8f8..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB060.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      47.627      20.946      68.573  12.87 0.000   NaN   NaN 0.931     432.098     400.000      15.552   60 
-     10000        2000.00      42.994      10.600      53.593   8.31 0.000   NaN   NaN 2.260     390.062     400.000      12.490   60 
-     20000        4000.00      46.269      -7.327      38.942   4.94 0.000 1.000 0.492 1.541     419.772     400.000       8.910   60 
-     30000        6000.00      39.685     -11.292      28.393   5.33 0.071 0.750 0.557 2.010     360.046     400.000       7.949   60 
-     40000        8000.00      41.915       3.468      45.383  11.24 0.000   NaN   NaN 2.472     380.276     400.000      15.478   60 
-     50000       10000.00      42.087       3.665      45.753   6.59 0.000 1.000 0.227 2.699     381.837     400.000      10.560   60 
-     60000       12000.00      37.590      -0.147      37.443   5.01 0.000 1.000 0.500 1.683     341.032     400.000       8.965   60 
-     70000       14000.00      34.884     -20.413      14.471   4.30 0.071 0.833 0.386 2.941     316.483     400.000       7.699   60 
-     80000       16000.00      40.077      -0.812      39.265   8.03 0.000 1.000 0.205 1.537     363.602     400.000      12.369   60 
-     90000       18000.00      42.652      -1.394      41.257   5.75 0.071 0.750 0.193 0.945     386.958     400.000       9.269   60 
-    100000       20000.00      42.209       0.963      43.172   6.02 0.000 1.000 0.409 1.680     382.940     400.000       8.432   60 
-    110000       22000.00      34.597      -2.420      32.177   7.18 0.071 0.667 0.152 3.943     313.879     400.000      10.780   60 
-    120000       24000.00      35.768      -8.191      27.578   4.50 0.143 0.714 0.396 2.160     324.508     400.000       7.895   60 
-    130000       26000.00      34.246     -10.667      23.579   5.97 0.071 0.800 0.500 2.802     310.695     400.000       7.991   60 
-    140000       28000.00      31.921      -5.342      26.579   5.67 0.000 1.000 0.477 1.406     289.606     400.000       7.373   60 
-    150000       30000.00      42.878      -4.587      38.291   4.74 0.143 0.714 0.494 1.854     389.008     400.000       8.950   60 
-    160000       32000.00      33.851     -12.050      21.801   4.53 0.000 1.000 0.409 1.650     307.112     400.000       9.110   60 
-    170000       34000.00      34.830       7.649      42.479   6.16 0.000 1.000 0.333 1.334     315.994     400.000       9.459   60 
-    180000       36000.00      37.920       1.765      39.684   4.77 0.143 0.667 0.500 1.823     344.026     400.000       8.663   60 
-    190000       38000.00      38.947     -12.742      26.204   6.20 0.143 0.600 0.291 1.860     353.345     400.000       8.199   60 
-    200000       40000.00      37.482      -3.396      34.086   7.33 0.071 0.750 0.159 1.435     340.059     400.000      11.011   60 
-    210000       42000.00      45.025      -1.402      43.623   6.41 0.071 0.750 0.284 2.515     408.495     400.000       8.733   60 
-    220000       44000.00      33.831       3.430      37.261   6.17 0.071 0.667 0.333 1.619     306.937     400.000       8.235   60 
-    230000       46000.00      46.426      -0.083      46.343   6.06 0.071 0.750 0.523 1.543     421.204     400.000       8.375   60 
-    240000       48000.00      35.550       0.786      36.336   5.32 0.000   NaN   NaN 1.607     322.528     400.000       9.254   60 
-    250000       50000.00      50.443     -11.478      38.965   3.86 0.071 0.857 0.461 1.391     457.641     400.000       8.016   60 
-    260000       52000.00      47.184       8.125      55.309   4.56 0.071 0.667 0.394 1.691     428.081     400.000       8.417   60 
-    270000       54000.00      35.886       4.796      40.682  10.08 0.000   NaN   NaN 1.694     325.575     400.000      13.103   60 
-    280000       56000.00      37.954      -0.213      37.741   7.20 0.000 1.000 0.300 2.399     344.340     400.000       8.298   60 
-    290000       58000.00      36.143       5.159      41.301   6.75 0.071 0.500 0.159 2.603     327.907     400.000      10.231   60 
-    300000       60000.00      33.750      -5.812      27.938   8.07 0.143 0.000 0.136 1.276     306.202     400.000      10.842   60 
-    310000       62000.00      41.373     -11.119      30.254   6.14 0.000 1.000 0.442 1.283     375.360     400.000       7.728   60 
-    320000       64000.00      40.833     -10.522      30.311   5.18 0.071 0.667 0.242 2.425     370.457     400.000      10.534   60 
-    330000       66000.00      33.402      -8.945      24.457   4.80 0.214 0.000 0.424 2.340     303.045     400.000       9.728   60 
-    340000       68000.00      39.637      -2.258      37.379   8.22 0.000   NaN   NaN 2.449     359.608     400.000      11.938   60 
-    350000       70000.00      30.757     -13.195      17.563   6.44 0.071 0.500 0.182 2.529     279.046     400.000       9.371   60 
-    360000       72000.00      43.547       0.137      43.684   5.15 0.000 1.000 0.621 1.675     395.085     400.000       9.236   60 
-    370000       74000.00      36.033     -11.919      24.114   5.25 0.071 0.800 0.618 1.656     326.907     400.000       7.770   60 
-    380000       76000.00      41.170      -2.343      38.826   5.43 0.000 1.000 0.682 2.441     373.513     400.000       8.703   60 
-    390000       78000.00      42.635      -0.787      41.848   8.53 0.000 1.000 0.227 1.407     386.810     400.000      10.905   60 
-    400000       80000.00      41.110      -0.487      40.623   7.87 0.000 1.000 0.205 2.008     372.974     400.000      11.494   60 
-    410000       82000.00      41.483       4.448      45.931   9.06 0.000 1.000 0.182 2.708     376.357     390.000      12.275   60 
-    420000       84000.00      37.816      -2.623      35.193   7.82 0.071 0.667 0.258 1.123     343.086     390.000      10.804   60 
-    430000       86000.00      31.062      -0.028      31.034   5.18 0.143 0.500 0.227 1.495     281.808     390.000       9.101   60 
-    440000       88000.00      50.654     -12.608      38.046   9.56 0.143 0.333 0.167 1.121     459.560     390.000      12.535   60 
-    450000       90000.00      38.354     -11.511      26.843   6.54 0.000   NaN   NaN 1.791     347.966     390.000       9.861   60 
-    460000       92000.00      32.170      -1.515      30.655   5.91 0.000 1.000 0.409 2.273     291.864     390.000       8.297   60 
-    470000       94000.00      39.117      -9.797      29.320   6.42 0.000 1.000 0.519 1.436     354.891     390.000       9.277   60 
-    480000       96000.00      34.986      -8.205      26.782   5.45 0.143 0.667 0.280 1.839     317.414     390.000       9.319   60 
-    490000       98000.00      48.782      -0.407      48.375   6.43 0.071 0.000 0.182 0.455     442.574     390.000      11.049   60 
-    500000      100000.00      33.511     -13.932      19.580   3.68 0.143 0.600 0.355 0.728     304.033     390.000       8.496   60 
-    510000      102000.00      27.115     -16.936      10.179   6.49 0.143 0.600 0.227 1.354     246.001     360.000       8.911   60 
-    520000      104000.00      48.036     -16.287      31.749   5.22 0.071 0.833 0.182 1.016     435.808     360.000       8.512   60 
-    530000      106000.00      39.378     -10.318      29.059   5.24 0.286 0.667 0.383 3.070     357.255     360.000       7.448   60 
-    540000      108000.00      34.108      -2.421      31.687   8.59 0.071 0.000 0.227 2.399     309.442     360.000      10.023   60 
-    550000      110000.00      33.069      -7.241      25.828   4.96 0.071 0.750 0.330 1.483     300.017     360.000       8.054   60 
-    560000      112000.00      40.049     -12.052      27.998   7.30 0.143 0.333 0.152 2.679     363.349     360.000      10.450   60 
-    570000      114000.00      33.124     -28.917       4.206   8.28 0.143 0.600 0.164 1.533     300.516     360.000      11.544   60 
-    580000      116000.00      31.776     -18.364      13.412   6.03 0.143 0.667 0.462 1.775     288.292     360.000       7.498   60 
-    590000      118000.00      27.521     -13.682      13.839   6.91 0.071 0.800 0.355 1.757     249.681     360.000       7.441   60 
-    600000      120000.00      29.724      -1.243      28.481   6.36 0.000 1.000 0.418 1.215     269.675     360.000       7.904   60 
-    610000      122000.00      39.785     -20.239      19.546   5.13 0.143 0.750 0.341 1.644     360.948     350.000       7.639   60 
-    620000      124000.00      40.167      -8.148      32.019   7.30 0.000 1.000 0.500 1.713     364.414     350.000       8.243   60 
-    630000      126000.00      41.155       6.306      47.462   9.42 0.000   NaN   NaN 2.140     373.384     350.000      13.578   60 
-    640000      128000.00      42.600       1.956      44.556   4.77 0.143 0.600 0.245 2.348     386.486     350.000       8.800   60 
-    650000      130000.00      33.802     -13.936      19.866   6.51 0.071 0.667 0.485 1.923     306.670     350.000       7.756   60 
-    660000      132000.00      41.178     -24.182      16.996   6.14 0.214 0.625 0.244 2.177     373.589     350.000       7.398   60 
-    670000      134000.00      33.064     -10.104      22.960   7.97 0.000 1.000 0.182 1.867     299.972     350.000      10.583   60 
-    680000      136000.00      27.825       0.201      28.026  14.12 0.000   NaN   NaN 3.866     252.444     350.000      17.655   60 
-    690000      138000.00      26.201     -21.550       4.651   5.68 0.143 0.500 0.261 0.890     237.706     350.000       9.344   60 
-    700000      140000.00      39.939     -14.370      25.569   5.17 0.143 0.667 0.371 1.140     362.348     350.000       8.788   60 
-    710000      142000.00      33.231     -25.168       8.064   5.70 0.000 1.000 0.527 1.116     301.492     350.000       8.768   60 
-    720000      144000.00      44.271     -18.701      25.570   6.08 0.143 0.750 0.318 2.848     401.646     350.000       7.521   60 
-    730000      146000.00      37.184     -10.599      26.585   5.00 0.357 0.375 0.364 1.866     337.355     350.000       8.066   60 
-    740000      148000.00      25.766     -11.235      14.531   5.45 0.214 0.500 0.280 1.916     233.762     350.000       8.650   60 
-    750000      150000.00      35.576     -25.493      10.083   5.51 0.286 0.556 0.247 1.664     322.765     350.000       7.164   60 
-    760000      152000.00      35.668      -7.574      28.094  10.21 0.071 0.500 0.182 1.575     323.599     350.000      13.013   60 
-    770000      154000.00      43.049     -17.034      26.015   5.55 0.143 0.667 0.462 1.454     390.565     350.000       7.261   60 
-    780000      156000.00      40.774      -9.574      31.201   4.82 0.000 1.000 0.273 1.006     369.927     350.000       7.792   60 
-    790000      158000.00      37.017     -22.456      14.561   6.10 0.143 0.750 0.426 1.403     335.837     350.000       6.794   60 
-    800000      160000.00      34.748     -22.319      12.429   6.22 0.071 0.875 0.403 2.674     315.248     350.000       8.079   60 
-    810000      162000.00      36.234      -0.391      35.843   7.20 0.071 0.000 0.136 1.927     328.738     350.000      11.423   60 
-    820000      164000.00      39.409      -1.868      37.541   6.39 0.000   NaN   NaN 1.873     357.542     350.000      10.883   60 
-    830000      166000.00      30.279     -17.138      13.142   5.94 0.143 0.714 0.416 1.974     274.708     350.000       7.029   60 
-    840000      168000.00      36.005      -5.763      30.243   6.55 0.000   NaN   NaN 2.890     326.660     350.000      10.517   60 
-    850000      170000.00      34.018     -30.385       3.633   5.36 0.286 0.636 0.405 1.441     308.631     350.000       7.137   60 
-    860000      172000.00      35.062     -11.336      23.725  12.35 0.000   NaN   NaN 2.003     318.098     350.000      15.797   60 
-    870000      174000.00      35.116     -13.704      21.412   3.90 0.071 0.800 0.236 1.179     318.587     350.000       8.633   60 
-    880000      176000.00      39.207      -9.303      29.904   6.16 0.000 1.000 0.518 2.823     355.706     350.000       8.062   60 
-    890000      178000.00      34.677       4.390      39.068   6.48 0.071 0.667 0.227 2.374     314.611     350.000       8.558   60 
-    900000      180000.00      36.208     -16.309      19.899   5.19 0.071 0.833 0.508 1.484     328.502     350.000       8.467   60 
-    910000      182000.00      28.276     -20.336       7.941   6.27 0.071 0.833 0.477 1.826     256.535     350.000       7.983   60 
-    920000      184000.00      36.810     -19.042      17.768   6.29 0.071 0.875 0.489 2.143     333.962     350.000       7.227   60 
-    930000      186000.00      40.666     -15.131      25.534   7.08 0.000 1.000 0.309 2.721     368.940     350.000       8.397   60 
-    940000      188000.00      35.973      -7.155      28.817   5.55 0.071 0.500 0.432 2.464     326.361     350.000       9.635   60 
-    950000      190000.00      33.508      -9.630      23.878   5.97 0.000 1.000 0.394 1.416     304.006     350.000       9.813   60 
-    960000      192000.00      41.207     -22.748      18.459   6.30 0.000 1.000 0.423 1.743     373.856     350.000       7.697   60 
-    970000      194000.00      30.535     -15.790      14.745   7.11 0.143 0.714 0.247 1.700     277.030     350.000       7.922   60 
-    980000      196000.00      32.145     -19.738      12.406   7.66 0.071 0.500 0.205 1.907     291.634     350.000      10.494   60 
-    990000      198000.00      34.157     -25.473       8.684   5.65 0.214 0.500 0.220 1.747     309.887     350.000       7.808   60 
-   1000000      200000.00      39.338      -7.651      31.687   5.64 0.000 1.000 0.205 3.251     356.894     350.000       9.496   60 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB061.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB061.stat
deleted file mode 100644
index e038b02..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB061.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      39.553      20.946      60.500  12.87 0.000   NaN   NaN 0.931     358.850     400.000      15.552   61 
-     10000        2000.00      46.341      -4.145      42.196   9.81 0.000   NaN   NaN 1.774     420.432     400.000      13.596   61 
-     20000        4000.00      39.371      -0.688      38.683   5.87 0.071 0.857 0.344 1.950     357.196     400.000       8.946   61 
-     30000        6000.00      40.955       4.529      45.484   6.04 0.000   NaN   NaN 3.954     371.567     400.000      11.374   61 
-     40000        8000.00      41.139      -5.425      35.714   5.12 0.071 0.667 0.636 1.895     373.239     400.000       9.485   61 
-     50000       10000.00      35.556      13.787      49.343   4.97 0.143 0.600 0.164 1.175     322.580     400.000       8.287   61 
-     60000       12000.00      24.316     -12.316      11.999   4.17 0.286 0.600 0.414 2.122     220.603     400.000       7.745   61 
-     70000       14000.00      33.927      -3.580      30.347   7.66 0.143 0.500 0.182 2.340     307.805     400.000      10.677   61 
-     80000       16000.00      49.280     -10.218      39.062   5.66 0.000 1.000 0.465 1.838     447.096     400.000       8.548   61 
-     90000       18000.00      42.012      -5.386      36.626   5.01 0.071 0.750 0.614 1.777     381.155     400.000       8.337   61 
-    100000       20000.00      38.405       2.764      41.170  11.15 0.000 1.000 0.159 2.869     348.434     400.000      13.724   61 
-    110000       22000.00      30.970      -1.208      29.763   9.00 0.071 0.000 0.182 1.438     280.977     390.000      12.833   61 
-    120000       24000.00      39.329       4.028      43.357  11.14 0.000 1.000 0.136 1.528     356.814     390.000      14.694   61 
-    130000       26000.00      43.434       0.383      43.817   5.25 0.000 1.000 0.482 2.428     394.056     390.000       8.502   61 
-    140000       28000.00      40.321      19.848      60.169   6.32 0.000 1.000 0.500 1.902     365.815     390.000       9.090   61 
-    150000       30000.00      31.628     -19.027      12.602   4.33 0.071 0.500 0.205 2.652     286.949     390.000       8.306   61 
-    160000       32000.00      38.149       1.748      39.897   7.17 0.000 1.000 0.239 2.985     346.110     390.000       9.008   61 
-    170000       34000.00      47.425       1.629      49.054   7.99 0.000 1.000 0.258 1.845     430.263     390.000       9.564   61 
-    180000       36000.00      28.746      -7.964      20.782  10.75 0.071 0.000 0.136 1.851     260.802     390.000      13.955   61 
-    190000       38000.00      37.955       1.995      39.950   4.82 0.071 0.000 0.136 2.062     344.348     390.000      10.012   61 
-    200000       40000.00      35.747     -11.553      24.195   5.50 0.000 1.000 0.432 1.648     324.318     390.000       8.999   61 
-    210000       42000.00      43.870      -6.452      37.418   9.74 0.071 0.500 0.159 2.003     398.013     390.000      12.935   61 
-    220000       44000.00      35.508      -6.882      28.626   6.95 0.000 1.000 0.197 2.176     322.148     390.000       9.544   61 
-    230000       46000.00      33.947     -10.954      22.992   6.33 0.000 1.000 0.591 1.216     307.982     390.000       8.316   61 
-    240000       48000.00      34.517      -7.841      26.676   4.34 0.071 0.667 0.364 2.201     313.156     390.000       8.619   61 
-    250000       50000.00      47.182      -7.598      39.584   9.05 0.000   NaN   NaN 2.684     428.056     390.000      11.935   61 
-    260000       52000.00      45.365       5.607      50.972   5.15 0.143 0.714 0.500 1.537     411.578     390.000       8.540   61 
-    270000       54000.00      45.933      -9.470      36.463   5.22 0.071 0.500 0.705 2.860     416.732     390.000       8.882   61 
-    280000       56000.00      31.477     -12.026      19.451   7.26 0.071 0.667 0.242 1.737     285.576     390.000       9.969   61 
-    290000       58000.00      30.835      -3.809      27.026   5.89 0.071 0.500 0.136 1.845     279.751     390.000       9.917   61 
-    300000       60000.00      36.829       6.417      43.245   6.62 0.071 0.500 0.182 2.232     334.129     390.000      10.699   61 
-    310000       62000.00      35.455      -4.483      30.973  12.32 0.143 0.000 0.159 2.165     321.670     400.000      15.135   61 
-    320000       64000.00      41.974      -3.407      38.567   9.01 0.143 0.667 0.205 1.291     380.808     400.000      11.821   61 
-    330000       66000.00      49.434       4.554      53.988   8.50 0.071 0.500 0.159 1.376     448.490     400.000      10.804   61 
-    340000       68000.00      42.372       7.292      49.664   7.85 0.000 1.000 0.227 1.819     384.419     400.000       8.998   61 
-    350000       70000.00      34.632       7.790      42.422   9.61 0.000 1.000 0.167 1.622     314.197     400.000      11.968   61 
-    360000       72000.00      38.644      -3.505      35.139  10.26 0.000 1.000 0.273 1.519     350.599     400.000      12.405   61 
-    370000       74000.00      42.822      12.765      55.586   6.29 0.000 1.000 0.182 2.080     388.499     400.000      11.012   61 
-    380000       76000.00      29.900      21.892      51.792   6.30 0.071 0.667 0.152 1.593     271.270     400.000       9.365   61 
-    390000       78000.00      34.826      -0.055      34.771  10.61 0.071 0.000 0.136 3.585     315.957     400.000      13.980   61 
-    400000       80000.00      32.901       1.506      34.407   8.82 0.000   NaN   NaN 0.934     298.490     400.000      12.466   61 
-    410000       82000.00      33.156       5.252      38.409   4.93 0.071 0.857 0.273 2.393     300.812     400.000       7.502   61 
-    420000       84000.00      36.835      -1.125      35.710   6.86 0.000   NaN   NaN 2.561     334.185     400.000       8.855   61 
-    430000       86000.00      39.217      -7.761      31.455   7.58 0.000 1.000 0.212 1.761     355.794     400.000       9.527   61 
-    440000       88000.00      35.908      -5.245      30.663   7.51 0.000 1.000 0.208 1.973     325.776     400.000       8.557   61 
-    450000       90000.00      41.864      11.408      53.271   6.92 0.000   NaN   NaN 1.908     379.807     400.000       9.783   61 
-    460000       92000.00      39.056      -8.269      30.787   8.20 0.143 0.500 0.170 1.639     354.333     400.000      11.010   61 
-    470000       94000.00      46.113      -3.432      42.680   9.29 0.071 0.000 0.136 2.004     418.358     400.000      12.743   61 
-    480000       96000.00      34.352      -0.359      33.993   6.64 0.071 0.500 0.182 2.865     311.656     400.000      10.665   61 
-    490000       98000.00      39.215      -7.671      31.544   5.21 0.000 1.000 0.477 1.670     355.780     400.000       9.549   61 
-    500000      100000.00      34.421      -5.596      28.825   5.06 0.071 0.833 0.288 1.894     312.287     400.000       8.334   61 
-    510000      102000.00      26.774       1.762      28.535   5.17 0.143 0.667 0.311 2.664     242.903     390.000       8.403   61 
-    520000      104000.00      31.644      -6.437      25.207   9.89 0.071 0.667 0.212 1.069     287.091     390.000      12.238   61 
-    530000      106000.00      36.783      -8.523      28.260   6.03 0.071 0.667 0.197 1.592     333.712     390.000      10.372   61 
-    540000      108000.00      42.836      -9.124      33.712   4.43 0.143 0.600 0.355 1.181     388.629     390.000       8.605   61 
-    550000      110000.00      32.858     -11.333      21.525   5.95 0.214 0.750 0.379 1.329     298.108     390.000       7.344   61 
-    560000      112000.00      39.844       2.967      42.811   5.38 0.071 0.750 0.489 1.446     361.490     390.000       9.007   61 
-    570000      114000.00      29.881      -2.355      27.525   6.87 0.071 0.500 0.159 2.121     271.094     390.000       9.124   61 
-    580000      116000.00      39.285     -17.467      21.818   5.04 0.071 0.000 0.136 1.171     356.416     390.000       9.097   61 
-    590000      118000.00      46.874     -13.469      33.406   5.60 0.000 1.000 0.159 1.443     425.270     390.000       7.927   61 
-    600000      120000.00      33.489       1.358      34.847   5.05 0.143 0.667 0.250 3.844     303.829     390.000       7.754   61 
-    610000      122000.00      35.589     -11.235      24.355   6.53 0.143 0.500 0.193 1.350     322.884     370.000       9.476   61 
-    620000      124000.00      36.944      -9.115      27.829   9.23 0.071 0.667 0.197 1.645     335.179     370.000      11.089   61 
-    630000      126000.00      30.817      -5.067      25.750   6.94 0.214 0.400 0.173 1.755     279.590     370.000      10.294   61 
-    640000      128000.00      38.626      -8.743      29.884   5.76 0.071 0.750 0.148 1.262     350.438     370.000       8.834   61 
-    650000      130000.00      44.650     -26.442      18.208   6.02 0.143 0.750 0.335 2.514     405.086     370.000       7.112   61 
-    660000      132000.00      41.138      -6.115      35.023   5.91 0.143 0.714 0.409 2.096     373.226     370.000       8.315   61 
-    670000      134000.00      44.290       5.246      49.536   6.73 0.071 0.667 0.167 2.143     401.820     370.000       9.319   61 
-    680000      136000.00      33.991     -12.370      21.621   5.02 0.000 1.000 0.494 2.665     308.383     370.000       7.367   61 
-    690000      138000.00      36.664       5.421      42.085   5.97 0.000   NaN   NaN 1.944     332.637     370.000       9.746   61 
-    700000      140000.00      33.775      -1.570      32.204   8.92 0.143 0.000 0.159 3.720     306.424     370.000      13.092   61 
-    710000      142000.00      37.768     -20.283      17.485   8.52 0.143 0.333 0.136 1.392     342.649     370.000      12.475   61 
-    720000      144000.00      36.593      -5.451      31.142   9.55 0.071 0.000 0.136 2.035     331.994     370.000      12.752   61 
-    730000      146000.00      32.383     -22.325      10.058   5.73 0.214 0.625 0.290 1.563     293.797     370.000       8.193   61 
-    740000      148000.00      36.702      -8.287      28.416   5.46 0.071 0.000 0.136 1.827     332.984     370.000       8.159   61 
-    750000      150000.00      36.372       1.228      37.600   6.15 0.071 0.500 0.136 2.069     329.985     370.000      10.914   61 
-    760000      152000.00      44.535     -14.352      30.183   6.79 0.071 0.875 0.284 2.052     404.045     370.000       7.840   61 
-    770000      154000.00      40.195      -4.991      35.204   7.46 0.071 0.500 0.318 2.850     364.668     370.000       8.858   61 
-    780000      156000.00      30.454      -8.626      21.828   8.23 0.071 0.000 0.182 1.729     276.293     370.000      11.132   61 
-    790000      158000.00      36.609       1.508      38.117   4.62 0.143 0.714 0.312 2.343     332.140     370.000       7.850   61 
-    800000      160000.00      27.765      -5.264      22.501   5.54 0.000 1.000 0.636 1.914     251.902     370.000       9.686   61 
-    810000      162000.00      32.776      -9.807      22.969   5.33 0.143 0.600 0.209 1.008     297.365     360.000       9.790   61 
-    820000      164000.00      35.254     -20.235      15.018   5.04 0.214 0.727 0.529 2.825     319.839     360.000       7.676   61 
-    830000      166000.00      39.520      -9.594      29.926   5.54 0.071 0.750 0.307 1.580     358.548     360.000       9.709   61 
-    840000      168000.00      32.348      -8.237      24.111   4.34 0.214 0.571 0.292 1.589     293.479     360.000       7.748   61 
-    850000      170000.00      34.438     -13.735      20.703   5.78 0.071 0.800 0.555 2.664     312.439     360.000       8.118   61 
-    860000      172000.00      29.547      -3.186      26.362   6.42 0.071 0.750 0.409 1.186     268.069     360.000       8.298   61 
-    870000      174000.00      34.078      -1.283      32.795   5.77 0.000 1.000 0.545 1.789     309.169     360.000       9.034   61 
-    880000      176000.00      41.933     -19.194      22.739   4.91 0.071 0.667 0.167 1.109     380.435     360.000       8.433   61 
-    890000      178000.00      31.183     -17.069      14.114   6.17 0.071 0.500 0.386 1.413     282.905     360.000       9.225   61 
-    900000      180000.00      38.354     -17.285      21.069   5.98 0.071 0.900 0.445 2.284     347.969     360.000       7.205   61 
-    910000      182000.00      30.824       4.622      35.445   8.65 0.000 1.000 0.227 2.128     279.650     340.000      10.910   61 
-    920000      184000.00      34.287     -21.780      12.507   6.19 0.214 0.700 0.386 1.405     311.067     340.000       7.294   61 
-    930000      186000.00      28.760     -17.893      10.867   6.22 0.286 0.333 0.159 1.067     260.924     340.000       9.139   61 
-    940000      188000.00      32.372     -19.485      12.887   5.43 0.071 0.875 0.415 1.743     293.698     340.000       7.075   61 
-    950000      190000.00      38.391     -20.866      17.525   3.87 0.143 0.778 0.364 2.189     348.301     340.000       6.922   61 
-    960000      192000.00      35.091     -17.143      17.948   5.78 0.071 0.923 0.329 2.367     318.366     340.000       7.076   61 
-    970000      194000.00      35.152     -14.440      20.712   5.58 0.143 0.714 0.273 3.588     318.920     340.000       8.798   61 
-    980000      196000.00      32.665     -22.428      10.237  10.46 0.071 0.500 0.136 1.155     296.350     340.000      13.121   61 
-    990000      198000.00      49.790     -29.808      19.982   6.53 0.214 0.400 0.191 1.053     451.717     340.000       8.595   61 
-   1000000      200000.00      31.702     -23.478       8.223   4.19 0.214 0.500 0.152 1.103     287.613     340.000       8.245   61 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB062.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB062.stat
deleted file mode 100644
index f4d67b1..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB062.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.680      20.946      61.626  12.87 0.000   NaN   NaN 0.931     369.072     400.000      15.552   62 
-     10000        2000.00      46.720      -9.807      36.914   3.95 0.071 0.667 0.258 2.025     423.869     400.000       7.708   62 
-     20000        4000.00      38.948      -6.124      32.824  11.84 0.071 0.000 0.136 1.956     353.354     400.000      14.822   62 
-     30000        6000.00      49.885       4.408      54.294   8.88 0.000   NaN   NaN 2.229     452.586     400.000      13.432   62 
-     40000        8000.00      47.729       2.717      50.446   6.90 0.000   NaN   NaN 1.918     433.023     400.000      10.295   62 
-     50000       10000.00      38.298      -1.570      36.728   7.18 0.000 1.000 0.273 1.367     347.457     400.000      11.425   62 
-     60000       12000.00      43.130       0.003      43.133   9.31 0.071 0.500 0.182 2.722     391.297     400.000      12.248   62 
-     70000       14000.00      37.514       4.210      41.724   8.54 0.071 0.500 0.205 2.743     340.344     400.000      10.821   62 
-     80000       16000.00      35.013      -1.467      33.546   6.00 0.000 1.000 0.182 2.671     317.657     400.000      10.019   62 
-     90000       18000.00      39.529       2.470      41.999   7.57 0.000 1.000 0.273 2.372     358.625     400.000       9.906   62 
-    100000       20000.00      39.725      -2.337      37.387   5.42 0.000 1.000 0.333 1.690     360.404     400.000       9.288   62 
-    110000       22000.00      26.989       5.553      32.542  10.50 0.000   NaN   NaN 1.968     244.855     390.000      12.898   62 
-    120000       24000.00      37.001      -5.264      31.736   6.79 0.214 0.500 0.159 2.436     335.690     390.000       9.504   62 
-    130000       26000.00      44.379      -9.334      35.045   6.93 0.000 1.000 0.438 1.822     402.626     390.000       7.994   62 
-    140000       28000.00      42.600       4.375      46.975   6.01 0.000 1.000 0.386 1.946     386.486     390.000       8.077   62 
-    150000       30000.00      30.747      -1.692      29.055   6.62 0.000 1.000 0.182 1.480     278.957     390.000      11.743   62 
-    160000       32000.00      44.350      -5.056      39.294   6.52 0.143 0.500 0.273 1.132     402.366     390.000       8.637   62 
-    170000       34000.00      54.098      -4.699      49.399   7.83 0.000 1.000 0.273 2.736     490.805     390.000       9.449   62 
-    180000       36000.00      36.374      -5.913      30.461   4.65 0.071 0.750 0.295 2.281     330.004     390.000       8.359   62 
-    190000       38000.00      42.527      -4.630      37.898   5.57 0.000 1.000 0.136 2.474     385.830     390.000       9.915   62 
-    200000       40000.00      35.004      -2.991      32.014   7.53 0.071 0.500 0.136 1.951     317.578     390.000      11.833   62 
-    210000       42000.00      41.880       4.550      46.431   6.96 0.000 1.000 0.182 1.531     379.959     400.000      10.401   62 
-    220000       44000.00      39.921      -0.944      38.978   4.97 0.000 1.000 0.312 1.015     362.188     400.000       7.390   62 
-    230000       46000.00      48.613      -0.489      48.125   4.99 0.071 0.500 0.182 2.779     441.046     400.000       8.842   62 
-    240000       48000.00      40.906      -1.988      38.918   6.04 0.000 1.000 0.136 1.676     371.116     400.000       9.369   62 
-    250000       50000.00      38.295       2.903      41.198   4.25 0.000   NaN   NaN 2.736     347.435     400.000       9.646   62 
-    260000       52000.00      44.295      -1.127      43.169   5.66 0.000 1.000 0.439 2.267     401.869     400.000       7.937   62 
-    270000       54000.00      41.497       6.965      48.462   5.40 0.000 1.000 0.557 2.673     376.486     400.000       8.792   62 
-    280000       56000.00      46.455       1.408      47.863   8.04 0.071 0.500 0.136 2.551     421.462     400.000      12.442   62 
-    290000       58000.00      43.543      -3.594      39.948   7.34 0.071 0.500 0.159 1.329     395.040     400.000      11.037   62 
-    300000       60000.00      37.505       7.260      44.766   7.95 0.071 0.667 0.242 1.801     340.269     400.000      10.404   62 
-    310000       62000.00      35.628      -4.589      31.038   4.63 0.000   NaN   NaN 2.228     323.232     400.000       9.182   62 
-    320000       64000.00      45.271       0.061      45.333   6.34 0.000 1.000 0.500 2.735     410.724     400.000       7.685   62 
-    330000       66000.00      40.442       0.836      41.278   7.36 0.071 0.750 0.205 2.043     366.912     400.000      10.350   62 
-    340000       68000.00      35.913     -17.724      18.189   6.63 0.000 1.000 0.427 2.405     325.818     400.000       7.827   62 
-    350000       70000.00      38.113      -1.569      36.544   5.95 0.071 0.750 0.432 2.739     345.783     400.000       7.443   62 
-    360000       72000.00      40.070       5.863      45.933   5.98 0.071 0.833 0.409 4.768     363.537     400.000       8.388   62 
-    370000       74000.00      41.515      -5.449      36.065   6.71 0.000 1.000 0.227 1.251     376.641     400.000      11.134   62 
-    380000       76000.00      42.570      -1.680      40.890   6.68 0.000 1.000 0.227 0.989     386.220     400.000       9.251   62 
-    390000       78000.00      45.507       5.980      51.487   5.59 0.000 1.000 0.212 2.064     412.864     400.000       8.010   62 
-    400000       80000.00      39.223      14.596      53.819   9.14 0.000 1.000 0.227 2.919     355.851     400.000      12.603   62 
-    410000       82000.00      34.651      -7.922      26.729   5.29 0.071 0.800 0.200 1.509     314.369     390.000       7.883   62 
-    420000       84000.00      34.497       5.545      40.043   5.16 0.071 0.833 0.333 2.230     312.977     390.000       8.252   62 
-    430000       86000.00      40.273      -9.415      30.859   6.92 0.214 0.667 0.273 2.460     365.380     390.000       8.235   62 
-    440000       88000.00      28.587       6.311      34.898   9.06 0.071 0.500 0.159 1.184     259.356     390.000      13.409   62 
-    450000       90000.00      40.538      -6.267      34.272   8.02 0.071 0.500 0.159 1.439     367.783     390.000      12.060   62 
-    460000       92000.00      41.340      -1.772      39.568   4.86 0.071 0.500 0.159 1.689     375.053     390.000       9.034   62 
-    470000       94000.00      37.900       6.598      44.498   6.36 0.143 0.333 0.197 1.511     343.852     390.000      10.009   62 
-    480000       96000.00      33.278      -4.288      28.990   4.95 0.071 0.833 0.485 2.687     301.916     390.000       8.345   62 
-    490000       98000.00      39.571       5.302      44.873   7.17 0.000   NaN   NaN 1.369     359.008     390.000      11.152   62 
-    500000      100000.00      38.229       5.426      43.655  11.56 0.071 0.750 0.227 1.953     346.837     390.000      13.999   62 
-    510000      102000.00      39.700      -5.416      34.284   4.89 0.143 0.600 0.318 1.656     360.181     390.000       7.125   62 
-    520000      104000.00      31.886      -0.452      31.434   6.06 0.071 0.750 0.216 1.291     289.284     390.000       9.614   62 
-    530000      106000.00      37.614      -2.424      35.190   8.87 0.071 0.000 0.182 1.152     341.253     390.000      12.044   62 
-    540000      108000.00      41.477     -19.287      22.190   7.05 0.214 0.700 0.359 1.343     376.305     390.000       7.461   62 
-    550000      110000.00      30.738       3.584      34.322   6.18 0.143 0.500 0.193 1.871     278.875     390.000       7.894   62 
-    560000      112000.00      43.416      -3.194      40.222  11.55 0.000 1.000 0.182 2.358     393.893     390.000      14.735   62 
-    570000      114000.00      43.303      10.096      53.399   6.31 0.071 0.667 0.197 2.965     392.868     390.000       9.809   62 
-    580000      116000.00      46.304      -0.402      45.902   4.03 0.071 0.750 0.273 2.051     420.097     390.000       9.222   62 
-    590000      118000.00      39.379     -10.354      29.025   9.88 0.000   NaN   NaN 1.075     357.264     390.000      14.706   62 
-    600000      120000.00      33.485      -7.614      25.871   6.66 0.071 0.500 0.295 1.407     303.794     390.000       9.183   62 
-    610000      122000.00      39.411      -7.850      31.562   7.51 0.071 0.667 0.167 0.948     357.561     390.000      10.452   62 
-    620000      124000.00      37.077      -1.853      35.224  10.56 0.071 0.000 0.136 2.238     336.383     390.000      14.364   62 
-    630000      126000.00      50.430      -5.396      45.035   6.76 0.000 1.000 0.216 1.352     457.530     390.000       8.932   62 
-    640000      128000.00      41.095      -3.390      37.705   5.28 0.000 1.000 0.523 1.654     372.835     390.000       8.963   62 
-    650000      130000.00      41.704     -18.746      22.958   6.53 0.071 0.800 0.191 2.197     378.357     390.000       7.428   62 
-    660000      132000.00      48.091      -1.126      46.965   9.69 0.143 0.333 0.136 2.386     436.311     390.000      12.552   62 
-    670000      134000.00      49.724      -1.233      48.492   5.94 0.071 0.800 0.245 3.093     451.126     390.000       9.936   62 
-    680000      136000.00      39.392      -6.939      32.453   3.85 0.071 0.833 0.341 1.216     357.382     390.000       7.410   62 
-    690000      138000.00      41.580      -4.874      36.706   6.37 0.000   NaN   NaN 4.870     377.235     390.000      11.067   62 
-    700000      140000.00      31.314      -3.566      27.747   3.73 0.071 0.667 0.136 1.562     284.092     390.000       8.328   62 
-    710000      142000.00      42.771      -4.399      38.372   5.58 0.071 0.500 0.136 1.232     388.038     390.000      10.535   62 
-    720000      144000.00      28.332      -6.246      22.085   7.95 0.071 0.667 0.152 1.932     257.040     390.000      12.344   62 
-    730000      146000.00      43.922      -0.554      43.368   7.21 0.143 0.600 0.227 2.456     398.479     390.000       8.860   62 
-    740000      148000.00      29.885      -3.488      26.397   6.02 0.143 0.667 0.303 0.977     271.129     390.000       8.864   62 
-    750000      150000.00      37.260      -7.140      30.120   8.11 0.000 1.000 0.273 1.658     338.044     390.000      10.283   62 
-    760000      152000.00      32.065      -3.156      28.909   7.82 0.071 0.500 0.205 3.293     290.908     390.000      11.259   62 
-    770000      154000.00      34.305      -8.170      26.136   6.53 0.000 1.000 0.402 2.792     311.236     390.000       7.125   62 
-    780000      156000.00      40.432     -12.738      27.694   7.18 0.071 0.000 0.136 3.399     366.819     390.000      11.395   62 
-    790000      158000.00      31.323      -8.001      23.322   5.93 0.071 0.857 0.338 1.737     284.175     390.000       7.934   62 
-    800000      160000.00      32.394       0.394      32.788   4.08 0.000 1.000 0.394 1.578     293.892     390.000       7.945   62 
-    810000      162000.00      43.866     -11.356      32.510  11.79 0.071 0.000 0.136 2.168     397.978     380.000      15.090   62 
-    820000      164000.00      30.886      -8.838      22.048   6.02 0.000 1.000 0.336 1.965     280.218     380.000       8.984   62 
-    830000      166000.00      30.927      -4.393      26.534   4.57 0.000 1.000 0.500 1.451     280.585     380.000       8.085   62 
-    840000      168000.00      38.535      -0.527      38.008   5.64 0.143 0.600 0.591 1.262     349.610     380.000       7.872   62 
-    850000      170000.00      36.386     -10.783      25.603   6.20 0.000 1.000 0.500 2.107     330.115     380.000       8.486   62 
-    860000      172000.00      37.595      -1.641      35.954   7.47 0.143 0.600 0.273 1.708     341.079     380.000       9.598   62 
-    870000      174000.00      52.871      -2.610      50.261   7.60 0.000 1.000 0.545 2.282     479.675     380.000       8.075   62 
-    880000      176000.00      32.579     -15.542      17.038   6.22 0.000 1.000 0.344 1.974     295.576     380.000       7.941   62 
-    890000      178000.00      41.050      -9.949      31.101   7.61 0.071 0.750 0.193 2.228     372.424     380.000       9.158   62 
-    900000      180000.00      37.485      -0.509      36.977   6.95 0.000 1.000 0.250 1.970     340.086     380.000       7.938   62 
-    910000      182000.00      45.477     -11.484      33.993   6.52 0.214 0.727 0.219 1.182     412.595     380.000       7.127   62 
-    920000      184000.00      38.531     -11.073      27.459   6.95 0.000 1.000 0.205 1.977     349.575     380.000      10.875   62 
-    930000      186000.00      31.767       2.358      34.125   5.43 0.000 1.000 0.136 3.053     288.206     380.000       9.384   62 
-    940000      188000.00      34.701     -11.343      23.358   4.93 0.071 0.750 0.159 1.703     314.827     380.000       8.968   62 
-    950000      190000.00      38.327       7.521      45.849   9.96 0.071 0.000 0.136 1.846     347.725     380.000      12.007   62 
-    960000      192000.00      44.264      -9.853      34.410   5.21 0.071 0.667 0.515 1.404     401.583     380.000       9.002   62 
-    970000      194000.00      38.620      -9.059      29.561   5.34 0.000 1.000 0.500 2.461     350.378     380.000       8.666   62 
-    980000      196000.00      36.463       1.607      38.070   5.18 0.000 1.000 0.379 2.581     330.807     380.000       8.561   62 
-    990000      198000.00      29.255     -11.668      17.587   5.35 0.143 0.667 0.311 1.502     265.420     380.000       8.112   62 
-   1000000      200000.00      39.860     -10.047      29.813   5.58 0.071 0.000 0.136 1.795     361.629     380.000      10.267   62 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB063.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB063.stat
deleted file mode 100644
index f79eb20..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB063.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      35.368      20.946      56.314  12.87 0.000   NaN   NaN 0.931     320.878     400.000      15.552   63 
-     10000        2000.00      37.443      -9.809      27.635   5.89 0.071 0.750 0.420 3.490     339.705     400.000       9.290   63 
-     20000        4000.00      38.242       3.221      41.464   4.85 0.071 0.667 0.394 2.295     346.955     400.000       8.304   63 
-     30000        6000.00      32.546       0.326      32.872   6.83 0.000 1.000 0.386 1.649     295.277     400.000       8.951   63 
-     40000        8000.00      40.345      -6.753      33.593   6.63 0.000 1.000 0.307 1.451     366.034     400.000       8.437   63 
-     50000       10000.00      36.897      -0.391      36.506   5.22 0.143 0.750 0.517 3.266     334.749     400.000       9.737   63 
-     60000       12000.00      38.184      -4.435      33.749   6.85 0.000 1.000 0.455 2.086     346.427     400.000       8.183   63 
-     70000       14000.00      40.211      -6.489      33.722   5.42 0.071 0.800 0.527 2.166     364.819     400.000       8.814   63 
-     80000       16000.00      42.090      10.082      52.172  10.04 0.000   NaN   NaN 1.625     381.862     400.000      12.264   63 
-     90000       18000.00      37.119       6.271      43.390   5.65 0.000 1.000 0.273 2.453     336.765     400.000       9.426   63 
-    100000       20000.00      33.849      -6.018      27.831   8.33 0.000   NaN   NaN 1.641     307.092     400.000      11.938   63 
-    110000       22000.00      36.778      -7.922      28.856   5.65 0.071 0.500 0.273 1.400     333.666     400.000       9.960   63 
-    120000       24000.00      38.593       0.609      39.202   7.39 0.000 1.000 0.258 1.916     350.133     400.000       9.849   63 
-    130000       26000.00      36.658       2.561      39.219   7.14 0.071 0.667 0.182 3.310     332.580     400.000       9.639   63 
-    140000       28000.00      33.396      14.528      47.924   6.89 0.071 0.500 0.136 1.703     302.984     400.000      10.234   63 
-    150000       30000.00      35.287       1.099      36.386   5.42 0.214 0.571 0.286 1.289     320.139     400.000       7.195   63 
-    160000       32000.00      38.143       9.361      47.504   5.46 0.071 0.800 0.318 2.114     346.049     400.000       9.443   63 
-    170000       34000.00      39.376      -8.323      31.053   7.44 0.000 1.000 0.227 1.602     357.238     400.000      10.228   63 
-    180000       36000.00      39.422      -6.630      32.792   5.26 0.000 1.000 0.386 1.717     357.658     400.000       9.784   63 
-    190000       38000.00      43.937      -8.308      35.629   6.83 0.000   NaN   NaN 2.007     398.618     400.000      10.774   63 
-    200000       40000.00      31.008       3.747      34.755   6.16 0.143 0.500 0.148 1.971     281.322     400.000      10.374   63 
-    210000       42000.00      35.775       5.717      41.492   7.13 0.000 1.000 0.273 1.819     324.572     400.000      10.523   63 
-    220000       44000.00      38.155      -0.481      37.673   7.47 0.071 0.833 0.265 1.525     346.160     400.000       9.749   63 
-    230000       46000.00      45.315      -6.568      38.747   8.89 0.071 0.667 0.167 2.373     411.118     400.000      12.336   63 
-    240000       48000.00      34.230       3.550      37.780   6.22 0.000   NaN   NaN 1.897     310.554     400.000       9.849   63 
-    250000       50000.00      37.093       4.477      41.570   8.42 0.000   NaN   NaN 1.816     336.528     400.000      12.723   63 
-    260000       52000.00      42.892       1.308      44.200   4.09 0.071 0.750 0.693 2.051     389.134     400.000       8.565   63 
-    270000       54000.00      37.748      -6.130      31.618   5.07 0.071 0.500 0.795 4.110     342.467     400.000       9.134   63 
-    280000       56000.00      42.804      -3.946      38.858   8.30 0.000 1.000 0.318 2.458     388.339     400.000      10.253   63 
-    290000       58000.00      34.455      -3.334      31.121   9.26 0.000   NaN   NaN 2.142     312.593     400.000      11.552   63 
-    300000       60000.00      30.515      -8.399      22.116   5.27 0.071 0.500 0.727 0.852     276.848     400.000       7.763   63 
-    310000       62000.00      39.217      -9.217      30.000   6.58 0.071 0.833 0.379 1.698     355.800     390.000       8.774   63 
-    320000       64000.00      47.253     -13.793      33.460   6.39 0.000 1.000 0.538 2.032     428.701     390.000       7.222   63 
-    330000       66000.00      44.352       3.006      47.358   8.80 0.071 0.000 0.136 1.339     402.389     390.000      10.599   63 
-    340000       68000.00      34.262       7.389      41.651   6.33 0.000 1.000 0.212 2.123     310.845     390.000       9.697   63 
-    350000       70000.00      39.945      -1.774      38.172   8.68 0.071 0.000 0.136 1.143     362.405     390.000      12.387   63 
-    360000       72000.00      36.867      -3.794      33.072   6.10 0.071 0.500 0.159 0.848     334.473     390.000       9.605   63 
-    370000       74000.00      37.730       2.723      40.452   6.19 0.071 0.667 0.197 1.587     342.304     390.000       9.405   63 
-    380000       76000.00      34.793     -14.704      20.089   6.01 0.000 1.000 0.391 1.601     315.657     390.000       8.718   63 
-    390000       78000.00      33.588       1.527      35.115   4.17 0.143 0.500 0.420 3.361     304.732     390.000       7.794   63 
-    400000       80000.00      43.533     -13.862      29.670   5.69 0.143 0.833 0.375 1.102     394.950     390.000       8.863   63 
-    410000       82000.00      39.362     -30.624       8.739   5.86 0.143 0.667 0.273 2.472     357.117     370.000       8.216   63 
-    420000       84000.00      37.710     -12.389      25.320   6.74 0.071 0.750 0.409 1.951     342.123     370.000       7.317   63 
-    430000       86000.00      44.231      -1.670      42.561   6.40 0.071 0.500 0.136 1.810     401.287     370.000       9.627   63 
-    440000       88000.00      34.227     -14.693      19.534   7.65 0.071 0.000 0.136 1.340     310.528     370.000      11.292   63 
-    450000       90000.00      33.072     -25.727       7.345   4.70 0.214 0.571 0.286 1.531     300.047     370.000       8.208   63 
-    460000       92000.00      34.596      -0.043      34.553   3.79 0.071 0.833 0.220 3.804     313.873     370.000       8.350   63 
-    470000       94000.00      34.728      -2.557      32.170   7.27 0.071 0.667 0.167 1.503     315.067     370.000      10.656   63 
-    480000       96000.00      26.578     -15.030      11.548   5.72 0.143 0.600 0.264 1.886     241.130     370.000       7.763   63 
-    490000       98000.00      41.508      -8.660      32.848   5.99 0.143 0.333 0.167 2.903     376.578     370.000       8.657   63 
-    500000      100000.00      38.032       1.167      39.200   5.56 0.071 0.500 0.159 1.916     345.050     370.000       9.845   63 
-    510000      102000.00      34.815     -20.215      14.600   5.50 0.143 0.750 0.352 0.618     315.858     360.000       8.709   63 
-    520000      104000.00      32.535     -14.051      18.484   6.32 0.071 0.875 0.494 1.912     295.176     360.000       7.574   63 
-    530000      106000.00      38.245     -17.832      20.413   6.41 0.071 0.800 0.409 1.805     346.979     360.000       8.172   63 
-    540000      108000.00      34.451     -14.942      19.509   6.34 0.000 1.000 0.322 1.109     312.555     360.000       7.619   63 
-    550000      110000.00      30.019     -14.647      15.372   5.33 0.000 1.000 0.491 1.088     272.343     360.000       8.929   63 
-    560000      112000.00      26.968      -1.406      25.562   9.11 0.071 0.000 0.136 1.473     244.667     360.000      12.484   63 
-    570000      114000.00      37.761      -1.775      35.986   5.58 0.071 0.750 0.307 3.723     342.586     360.000       9.352   63 
-    580000      116000.00      37.481     -10.560      26.920   6.01 0.143 0.714 0.461 3.109     340.044     360.000       8.559   63 
-    590000      118000.00      31.871     -12.488      19.383   4.93 0.143 0.600 0.300 1.013     289.150     360.000       8.460   63 
-    600000      120000.00      35.940     -14.342      21.598   5.13 0.143 0.000 0.159 1.809     326.065     360.000       9.060   63 
-    610000      122000.00      43.088     -34.767       8.322   4.96 0.214 0.700 0.282 1.563     390.921     340.000       6.952   63 
-    620000      124000.00      31.896     -25.824       6.072   5.00 0.286 0.556 0.354 1.054     289.379     340.000       7.567   63 
-    630000      126000.00      38.325     -25.259      13.066   5.55 0.214 0.700 0.241 1.855     347.703     340.000       7.208   63 
-    640000      128000.00      34.844     -22.171      12.673   4.08 0.214 0.250 0.239 0.763     316.126     340.000       8.964   63 
-    650000      130000.00      32.896     -10.847      22.049   6.46 0.143 0.000 0.159 1.056     298.450     340.000      10.572   63 
-    660000      132000.00      37.334      -6.037      31.298   7.16 0.000 1.000 0.227 1.484     338.714     340.000      11.262   63 
-    670000      134000.00      30.885     -15.170      15.715   7.04 0.143 0.833 0.303 2.955     280.207     340.000       6.962   63 
-    680000      136000.00      36.040     -11.313      24.727   5.70 0.214 0.400 0.164 2.706     326.971     340.000       8.613   63 
-    690000      138000.00      33.947     -13.887      20.060   6.73 0.000 1.000 0.227 1.442     307.981     340.000       7.879   63 
-    700000      140000.00      28.472     -22.142       6.330   6.90 0.071 0.833 0.318 1.799     258.309     340.000       7.611   63 
-    710000      142000.00      27.427     -28.241      -0.814   5.01 0.214 0.700 0.382 1.586     248.833     340.000       7.044   63 
-    720000      144000.00      38.528     -25.382      13.147   4.79 0.143 0.667 0.265 2.177     349.548     340.000       8.023   63 
-    730000      146000.00      39.295     -17.013      22.282   8.00 0.214 0.571 0.240 1.645     356.508     340.000      10.157   63 
-    740000      148000.00      31.220      -9.028      22.192   6.92 0.071 0.875 0.324 2.418     283.245     340.000       8.676   63 
-    750000      150000.00      44.082      -7.104      36.978   4.64 0.000 1.000 0.418 2.201     399.933     340.000       8.016   63 
-    760000      152000.00      27.968     -22.139       5.829   6.70 0.000 1.000 0.402 1.542     253.740     340.000       8.022   63 
-    770000      154000.00      30.619      -7.888      22.730   6.38 0.000 1.000 0.136 2.506     277.787     340.000      11.064   63 
-    780000      156000.00      27.532     -15.372      12.160   6.00 0.071 0.500 0.205 2.643     249.781     340.000       8.713   63 
-    790000      158000.00      32.606     -19.546      13.060   5.70 0.143 0.800 0.491 2.114     295.818     340.000       7.295   63 
-    800000      160000.00      32.709     -16.797      15.913   4.92 0.143 0.714 0.468 1.589     296.757     340.000       8.112   63 
-    810000      162000.00      36.957      -8.473      28.484   7.20 0.071 0.667 0.167 1.073     335.290     340.000       9.648   63 
-    820000      164000.00      25.779     -31.628      -5.849   5.58 0.143 0.714 0.292 1.075     233.885     340.000       8.334   63 
-    830000      166000.00      35.586     -19.067      16.519   4.48 0.143 0.333 0.303 0.942     322.852     340.000       8.774   63 
-    840000      168000.00      29.001     -21.243       7.758   6.43 0.214 0.625 0.290 1.383     263.116     340.000       7.223   63 
-    850000      170000.00      31.822     -19.919      11.903   4.68 0.143 0.714 0.422 2.409     288.709     340.000       8.100   63 
-    860000      172000.00      30.553     -17.472      13.081   5.92 0.143 0.778 0.333 1.251     277.195     340.000       7.731   63 
-    870000      174000.00      32.957     -19.119      13.839   5.63 0.143 0.333 0.167 0.753     299.007     340.000       9.554   63 
-    880000      176000.00      25.170     -21.468       3.702   4.67 0.071 0.500 0.205 2.107     228.359     340.000       8.713   63 
-    890000      178000.00      29.861     -18.057      11.804   5.68 0.143 0.500 0.307 2.050     270.913     340.000       8.308   63 
-    900000      180000.00      36.069     -18.943      17.127   6.73 0.143 0.333 0.136 2.511     327.239     340.000       7.468   63 
-    910000      182000.00      30.534     -29.386       1.149   4.70 0.286 0.556 0.303 1.714     277.021     330.000       7.642   63 
-    920000      184000.00      38.468     -16.738      21.730   4.66 0.143 0.333 0.182 1.726     348.999     330.000       8.311   63 
-    930000      186000.00      28.351     -30.753      -2.401   4.82 0.214 0.750 0.360 1.722     257.217     330.000       6.699   63 
-    940000      188000.00      29.544     -33.351      -3.807   5.71 0.286 0.692 0.276 1.853     268.039     330.000       6.865   63 
-    950000      190000.00      33.073     -16.888      16.185   5.76 0.286 0.500 0.307 2.768     300.054     330.000       6.931   63 
-    960000      192000.00      32.436     -16.158      16.278   5.07 0.071 0.800 0.282 2.412     294.278     330.000       7.823   63 
-    970000      194000.00      37.870     -12.868      25.001   4.93 0.071 0.750 0.318 0.763     343.572     330.000       8.898   63 
-    980000      196000.00      36.862     -14.318      22.544   6.22 0.000 1.000 0.394 2.109     334.432     330.000       8.467   63 
-    990000      198000.00      35.973     -26.371       9.602   5.50 0.143 0.800 0.405 1.226     326.361     330.000       7.192   63 
-   1000000      200000.00      35.205     -23.110      12.095   5.31 0.286 0.333 0.167 3.277     319.399     330.000       9.643   63 
diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_MD000.cx b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_MD000.cx
index eb694ca7514aacb6bf859219cd82910552901359..41fd365b03cfaca610c84a97d44f11fc2dc79de0 100644
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diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_mremd.rst b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_mremd.rst
index 2f66ac3f02263e1ffbb01ac36767cf6bd6221331..ceb9f1103fbe2fb76a6674644572eb7de6d34441 100644
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diff --git a/examples/unres/new/MREMD/ff_gab/start.mat b/examples/unres/new/MREMD/ff_gab/start.mat
index aa43e32..48a400a 100755
--- a/examples/unres/new/MREMD/ff_gab/start.mat
+++ b/examples/unres/new/MREMD/ff_gab/start.mat
@@ -1,8 +1,8 @@
 #PBS -N MREMD-gab
 #PBS -q dque
-#PBS -l nodes=8:ppn=8
+#PBS -l nodes=4:ppn=8
 # #PBS -l mem=2gb
-#PBS -l walltime=24:00:00
+#PBS -l walltime=2:00:00
 
 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun "
 setenv NPROCS `cat $PBS_NODEFILE | wc -l`
diff --git a/examples/unres/new/MREMD/ff_gab/unres.csh b/examples/unres/new/MREMD/ff_gab/unres.csh
index 384df18..68077d8 100755
--- a/examples/unres/new/MREMD/ff_gab/unres.csh
+++ b/examples/unres/new/MREMD/ff_gab/unres.csh
@@ -1,25 +1,24 @@
-#!/bin/csh
+#!/bin/csh -f
 setenv FGPROCS 1
 setenv POT GB
-setenv PREFIX  1L2Y_MREMD
+setenv PREFIX 1L2Y_MREMD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_oldparm.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv DD /users/czarek/UNRES/export_v3/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
-setenv THETPARPDB $DD/thetaml.5parm
-setenv ROTPARPDB $DD/scgauss.parm
 setenv ROTPAR $DD/scgauss.parm
 setenv TORPAR $DD/torsion_631Gdp.parm
 setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm
-setenv SIDEPAR $DD/scinter_${POT}.parm
+setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-setenv SCCORPAR $DD/rotcorr_AM1.parm
+#setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
-setenv PRINT_PARM NO
 #-----------------------------------------------------------------------------
 $UNRES_BIN $*
diff --git a/examples/unres/new/REMD/Berendsen/ff_1l2y/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/Berendsen/ff_1l2y/1L2Y_REMD.out_GB000
index 2aea84e..163429d 100644
--- a/examples/unres/new/REMD/Berendsen/ff_1l2y/1L2Y_REMD.out_GB000
+++ b/examples/unres/new/REMD/Berendsen/ff_1l2y/1L2Y_REMD.out_GB000
@@ -5,33 +5,33 @@
  Output file                     : 1L2Y_REMD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 298
- compiled Thu Jul  5 05:49:13 2012
+ Version 2.5 build 303
+ compiled Mon Jul 23 17:44:56 2012
  compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
@@ -304,7 +304,7 @@ Replica exchange molecular dynamics (REMD) calculation.
 
  Calling chainbuild
  Calling REMD
- MREMD          16 time before  1.562500000000000E-002
+ MREMD          16 time before  5.859375000000000E-002
  NREP=          16
  i2rep      1      2      3      4      5      6      7      8      9     10
      11     12     13     14     15     16
@@ -459,7 +459,7 @@ Initial:
 
     maximum acceleration    4.85077E+00
 
- Setup time  2.343750000000000E-002
+ Setup time  8.593750000000000E-002
 Velocities reset to random values, time             1999.80
 Velocities reset to random values, time             3999.80
 Velocities reset to random values, time             5999.80
@@ -473,9 +473,9 @@ Velocities reset to random values, time            19999.80
  REMD synchro at      100000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   40.6171875000000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
+ REMD gather times=   40.1953125000000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     1.00000    1
 ACC   2   260.00000     1.00000    1
@@ -493,7 +493,7 @@ ACC  13   370.00000     1.00000    1
 ACC  14   380.00000     0.00000    1
 ACC  15   390.00000     1.00000    1
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time            21999.80
 Velocities reset to random values, time            23999.80
 Velocities reset to random values, time            25999.80
@@ -507,8 +507,8 @@ Velocities reset to random values, time            39999.80
  REMD synchro at      200000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   81.1953125000000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
+ REMD gather times=   82.0859375000000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.50000    2
@@ -527,7 +527,7 @@ ACC  13   370.00000     1.00000    2
 ACC  14   380.00000     0.50000    2
 ACC  15   390.00000     1.00000    2
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  3.906250000000000E-003
 Velocities reset to random values, time            41999.80
 Velocities reset to random values, time            43999.80
 Velocities reset to random values, time            45999.80
@@ -541,9 +541,9 @@ Velocities reset to random values, time            59999.80
  REMD synchro at      300000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   122.101562500000       0.000000000000000E+000
+ REMD gather times=   122.914062500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.33333    3
 ACC   2   260.00000     1.00000    3
@@ -561,7 +561,7 @@ ACC  13   370.00000     1.00000    3
 ACC  14   380.00000     0.33333    3
 ACC  15   390.00000     1.00000    3
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  3.906250000000000E-003
 Velocities reset to random values, time            61999.80
 Velocities reset to random values, time            63999.80
 Velocities reset to random values, time            65999.80
@@ -575,9 +575,9 @@ Velocities reset to random values, time            79999.80
  REMD synchro at      400000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   163.812500000000       0.000000000000000E+000
+ REMD gather times=   164.542968750000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.25000    4
 ACC   2   260.00000     1.00000    4
@@ -595,7 +595,7 @@ ACC  13   370.00000     0.75000    4
 ACC  14   380.00000     0.50000    4
 ACC  15   390.00000     1.00000    4
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time            81999.80
 Velocities reset to random values, time            83999.80
 Velocities reset to random values, time            85999.80
@@ -609,9 +609,9 @@ Velocities reset to random values, time            99999.80
  REMD synchro at      500000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   204.636718750000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
+ REMD gather times=   205.507812500000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  1.171875000000000E-002
  NREP          16
 ACC   1   250.00000     0.40000    5
 ACC   2   260.00000     1.00000    5
@@ -628,8 +628,8 @@ ACC  12   360.00000     1.00000    5
 ACC  13   370.00000     0.80000    5
 ACC  14   380.00000     0.60000    5
 ACC  15   390.00000     1.00000    5
- REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD scatter time=  3.906250000000000E-003
+ REMD exchange time=  1.953125000000000E-002
 Velocities reset to random values, time           101999.80
 Velocities reset to random values, time           103999.80
 Velocities reset to random values, time           105999.80
@@ -643,7 +643,7 @@ Velocities reset to random values, time           119999.80
  REMD synchro at      600000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   245.304687500000       0.000000000000000E+000
+ REMD gather times=   246.343750000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
@@ -677,9 +677,9 @@ Velocities reset to random values, time           139999.80
  REMD synchro at      700000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   286.046875000000       0.000000000000000E+000
+ REMD gather times=   287.054687500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.57143    7
 ACC   2   260.00000     0.71429    7
@@ -697,7 +697,7 @@ ACC  13   370.00000     0.85714    7
 ACC  14   380.00000     0.57143    7
 ACC  15   390.00000     1.00000    7
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time           141999.80
 Velocities reset to random values, time           143999.80
 Velocities reset to random values, time           145999.80
@@ -711,9 +711,9 @@ Velocities reset to random values, time           159999.80
  REMD synchro at      800000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   326.968750000000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
+ REMD gather times=   327.578125000000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.62500    8
 ACC   2   260.00000     0.62500    8
@@ -731,7 +731,7 @@ ACC  13   370.00000     0.87500    8
 ACC  14   380.00000     0.62500    8
 ACC  15   390.00000     1.00000    8
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time           161999.80
 Velocities reset to random values, time           163999.80
 Velocities reset to random values, time           165999.80
@@ -745,9 +745,9 @@ Velocities reset to random values, time           179999.80
  REMD synchro at      900000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   368.226562500000       0.000000000000000E+000
+ REMD gather times=   368.445312500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.66667    9
 ACC   2   260.00000     0.66667    9
@@ -765,7 +765,7 @@ ACC  13   370.00000     0.88889    9
 ACC  14   380.00000     0.66667    9
 ACC  15   390.00000     1.00000    9
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  3.906250000000000E-003
 Velocities reset to random values, time           181999.80
 Velocities reset to random values, time           183999.80
 Velocities reset to random values, time           185999.80
@@ -784,13 +784,13 @@ Velocities reset to random values, time           199999.80
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.68766E+02
+                  MD calculations setup:    2.34375E-02
+           Energy & gradient evaluation:    3.69984E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.08898E+02
+                               MD steps:    4.09125E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   408.921875000000       sec
+ Total wall clock time   409.210937500000       sec
diff --git a/examples/unres/new/REMD/Berendsen/ff_1l2y/unres.csh b/examples/unres/new/REMD/Berendsen/ff_1l2y/unres.csh
index 822da15..c8394f9 100755
--- a/examples/unres/new/REMD/Berendsen/ff_1l2y/unres.csh
+++ b/examples/unres/new/REMD/Berendsen/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD.out_GB000
index 54145ec..d098b8a 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD.out_GB000
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD.out_GB000
@@ -5,35 +5,41 @@
  Output file                     : 1L2Y_REMD.out_GB000
  
  Sidechain potential file        : 
- /users/adam/unres//PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
- SCp potential file              : /users/adam/unres//PARAM/scp.parm
- Electrostatic potential file    : /users/adam/unres//PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ p8g-sc
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/adam/unres//PARAM/fourier_opt.parm.1igd_hc_iter3_3
- Torsional parameter file        : /users/adam/unres//PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/adam/unres//PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/adam/unres//PARAM/rotcorr_AM1.parm
- Bond & inertia constant file    : /users/adam/unres//PARAM/bond.parm
- Bending parameter file          : /users/adam/unres//PARAM/thetaml.5parm
- Rotamer parameter file          : /users/adam/unres//PARAM/scgauss.parm
- Threading database              : /users/adam/unres//PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 62
- compiled Sun May 13 16:07:22 2012
- compiled by adam@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
  OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
  flags:
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
  FC= ifort
- OPT =  -O3 -ip -w 
+ OPT =  -g -ip -w -CB 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
  FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
  FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
@@ -296,7 +302,7 @@ Replica exchange molecular dynamics (REMD) calculation.
 
  Calling chainbuild
  Calling REMD
- MREMD          16 time before  1.171875000000000E-002
+ MREMD          16 time before  2.343750000000000E-002
  NREP=          16
  i2rep      1      2      3      4      5      6      7      8      9     10
      11     12     13     14     15     16
@@ -365,7 +371,7 @@ ndowna  16:  15
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
- -1.347581050579500E-017  1.082148419404750E-017  4.083578941150001E-018
+  2.286804207044001E-017  1.061730524699000E-017 -3.266863152920001E-018
 
 
               alpha-carbon coordinates            centroid coordinates
@@ -451,3186 +457,2856 @@ Initial:
 
     maximum acceleration    7.10627E-01
 
- Setup time  1.562500000000000E-002
- acceleration/energy drift too large   6.01872884619312     
-   20.2592193938126       split increased to            2  itime         139 
+ Setup time  6.250000000000000E-002
+ acceleration/energy drift too large   6.01872884623843     
+   20.2592193941127       split increased to            2  itime         139 
   itsplit           1
- acceleration/energy drift too large   4.74983079650855     
-   19.5228610395193       split increased to            2  itime         766 
+ acceleration/energy drift too large   5.27112114968694     
+   24.5947094282993       split increased to            2  itime         811 
   itsplit           1
- acceleration/energy drift too large   2.42980134136891     
-   12.0406014227438       split increased to            2  itime         814 
+ acceleration/energy drift too large   4.11749741993015     
+   10.0233573756981       split increased to            2  itime         812 
   itsplit           1
- acceleration/energy drift too large   2.72440113412620     
-   19.5377049768865       split increased to            2  itime        1721 
+ acceleration/energy drift too large   6.78156239205624     
+   46.6376162381685       split increased to            2  itime        1036 
   itsplit           1
- acceleration/energy drift too large   3.15919805676186     
-   13.6416206054045       split increased to            2  itime        2159 
+ acceleration/energy drift too large   9.31079499697821     
+   31.7226708145899       split increased to            2  itime        2891 
   itsplit           1
- acceleration/energy drift too large   4.49925170174960     
-   12.6486736453362       split increased to            2  itime        2764 
+ acceleration/energy drift too large   6.21988967563635     
+   16.7074784854902       split increased to            2  itime        3759 
   itsplit           1
- acceleration/energy drift too large   4.96902320146049     
-   15.8249185775960       split increased to            2  itime        2803 
+ acceleration/energy drift too large   1.80361188606243     
+   12.1415737284860       split increased to            2  itime        4945 
   itsplit           1
- acceleration/energy drift too large   3.86936220846959     
-   19.0168887838164       split increased to            2  itime        3803 
+ acceleration/energy drift too large   5.12402735643209     
+   29.4650551506901       split increased to            2  itime        5095 
   itsplit           1
- acceleration/energy drift too large   7.20491206720874     
-   20.9721304471975       split increased to            2  itime        5165 
+ acceleration/energy drift too large   2.83404312115991     
+   14.2652706563271       split increased to            2  itime        5279 
   itsplit           1
- acceleration/energy drift too large   2.84166893514261     
-   10.1117521454467       split increased to            2  itime        6122 
+ acceleration/energy drift too large   3.34004923031108     
+   13.9147219048335       split increased to            2  itime        5456 
   itsplit           1
- acceleration/energy drift too large   3.05143756190817     
-   10.6364332980644       split increased to            2  itime        6901 
+ acceleration/energy drift too large   3.94199203323793     
+   14.7105414366802       split increased to            2  itime        5684 
   itsplit           1
- acceleration/energy drift too large   7.70123589522393     
-   23.7935036895577       split increased to            2  itime        7340 
+ acceleration/energy drift too large   4.58176126929386     
+   18.9652642544041       split increased to            2  itime        6659 
   itsplit           1
-Velocities reset to random values, time             1999.80
- acceleration/energy drift too large   11.6354071599874     
-   51.5009864640833       split increased to            2  itime       11808 
+ acceleration/energy drift too large   4.23308137134488     
+   20.0605747926315       split increased to            2  itime        7737 
   itsplit           1
- acceleration/energy drift too large   5.28327594999131     
-   11.1128643695182       split increased to            2  itime       12607 
+ acceleration/energy drift too large   5.69874662777226     
+   13.1487157869994       split increased to            2  itime        8176 
   itsplit           1
- acceleration/energy drift too large   2.38140641277758     
-   19.1079051686024       split increased to            2  itime       13445 
+ acceleration/energy drift too large   8.80799290368255     
+   36.1731351413900       split increased to            2  itime        8328 
   itsplit           1
- acceleration/energy drift too large   12.2496712383343     
-   64.9847489681614       split increased to            2  itime       13548 
+ acceleration/energy drift too large   4.83324003078720     
+   10.4766940200828       split increased to            2  itime        8736 
   itsplit           1
- acceleration/energy drift too large   7.44377174513165     
-   22.7667228358058       split increased to            2  itime       13650 
+ acceleration/energy drift too large   2.74481026144746     
+   15.5635977279567       split increased to            2  itime        9154 
   itsplit           1
- acceleration/energy drift too large   4.20125556520394     
-   10.2171757103044       split increased to            2  itime       14207 
+Velocities reset to random values, time             1999.80
+ acceleration/energy drift too large   14.0404045922975     
+   68.7798479910309       split increased to            2  itime       10160 
   itsplit           1
- acceleration/energy drift too large   6.60707563004684     
-   18.8934595483807       split increased to            2  itime       14677 
+ acceleration/energy drift too large   1.50316818806266     
+   10.5002113048853       split increased to            2  itime       10590 
   itsplit           1
- acceleration/energy drift too large   7.45216174819551     
-   24.4938606702042       split increased to            2  itime       15132 
+ acceleration/energy drift too large   5.43166515803004     
+   13.9130864336143       split increased to            2  itime       11052 
   itsplit           1
- acceleration/energy drift too large   6.99505557934837     
-   18.7047318940532       split increased to            2  itime       17282 
+ acceleration/energy drift too large   4.18833595053208     
+   22.5560767264168       split increased to            2  itime       12025 
   itsplit           1
- acceleration/energy drift too large   2.23930018536109     
-   11.7694706486093       split increased to            2  itime       18194 
+ acceleration/energy drift too large   5.05652196479640     
+   14.4921485139768       split increased to            2  itime       13325 
   itsplit           1
-Velocities reset to random values, time             3999.80
- acceleration/energy drift too large   5.47563395191991     
-   14.2572925849945       split increased to            2  itime       21244 
+ acceleration/energy drift too large   4.45939796981960     
+   16.5366763212833       split increased to            2  itime       15176 
   itsplit           1
- acceleration/energy drift too large   3.62604081748416     
-   17.0476062181967       split increased to            2  itime       21484 
+ acceleration/energy drift too large   2.65463078527267     
+   16.4090157418096       split increased to            2  itime       16444 
   itsplit           1
- acceleration/energy drift too large   2.97846143694444     
-   10.9929107295660       split increased to            2  itime       21624 
+ acceleration/energy drift too large   4.83718887683354     
+   14.1174528410817       split increased to            2  itime       17097 
   itsplit           1
- acceleration/energy drift too large   9.48302167983757     
-   45.8513332274356       split increased to            2  itime       22122 
+ acceleration/energy drift too large   6.31119970893411     
+   16.8460396165817       split increased to            2  itime       19697 
   itsplit           1
- acceleration/energy drift too large   10.8638437029045     
-   58.6303764307960       split increased to            2  itime       22356 
+ acceleration/energy drift too large   4.02987312329386     
+   10.3471546915559       split increased to            2  itime       19819 
   itsplit           1
- acceleration/energy drift too large   2.54163811597567     
-   13.2808399968031       split increased to            4  itime       22356 
-  itsplit           2
- acceleration/energy drift too large   5.07305132246483     
-   24.6932332171085       split increased to            2  itime       23194 
+ acceleration/energy drift too large   3.99202782706859     
+   10.0203344095428       split increased to            2  itime       19834 
+  itsplit           1
+Velocities reset to random values, time             3999.80
+ acceleration/energy drift too large   6.16108168523388     
+   17.6884977232375       split increased to            2  itime       22438 
   itsplit           1
- acceleration/energy drift too large   3.00493628697445     
-   18.2020936055883       split increased to            2  itime       23501 
+ acceleration/energy drift too large   2.32814200502473     
+   10.4235372979880       split increased to            4  itime       22438 
   itsplit           1
- acceleration/energy drift too large   4.78046968888152     
-   16.3911739319017       split increased to            2  itime       24653 
+ acceleration/energy drift too large   6.04820859670261     
+   17.2116778245396       split increased to            2  itime       22949 
   itsplit           1
- acceleration/energy drift too large   5.51863359670277     
-   21.6434203108233       split increased to            2  itime       26334 
+ acceleration/energy drift too large   9.39321822080475     
+   40.3009380499136       split increased to            2  itime       24190 
   itsplit           1
- acceleration/energy drift too large   3.96579870857696     
-   13.8237246202860       split increased to            2  itime       26485 
+ acceleration/energy drift too large   12.2349397254060     
+   65.3702132086642       split increased to            2  itime       25430 
   itsplit           1
- acceleration/energy drift too large   6.12828016734532     
-   42.8971634541535       split increased to            2  itime       26752 
+ acceleration/energy drift too large   3.56592545350488     
+   18.7333147770938       split increased to            2  itime       26054 
   itsplit           1
- acceleration/energy drift too large   4.11829826507824     
-   15.5402866484302       split increased to            2  itime       26922 
+ acceleration/energy drift too large   4.94539499627627     
+   11.7236757967914       split increased to            2  itime       27422 
   itsplit           1
- acceleration/energy drift too large   6.04002406527162     
-   16.7055308519018       split increased to            2  itime       27690 
+ acceleration/energy drift too large   6.34859604644822     
+   15.8808952575016       split increased to            2  itime       28830 
+  itsplit           1
+ acceleration/energy drift too large   7.97849023708925     
+   18.7636280341567       split increased to            2  itime       29314 
   itsplit           1
 Velocities reset to random values, time             5999.80
- acceleration/energy drift too large   8.38660842869076     
-   25.3591960594494       split increased to            2  itime       34178 
+ acceleration/energy drift too large   5.71322468319090     
+   13.0840605575853       split increased to            2  itime       30269 
+  itsplit           1
+ acceleration/energy drift too large   6.08204819236797     
+   11.5030063880184       split increased to            2  itime       32467 
+  itsplit           1
+ acceleration/energy drift too large   4.62814684819236     
+   15.4269491395818       split increased to            2  itime       33071 
   itsplit           1
- acceleration/energy drift too large   10.9882246612523     
-   58.7557177221095       split increased to            2  itime       36227 
+ acceleration/energy drift too large   4.70153961675083     
+   13.2205867635956       split increased to            2  itime       37548 
   itsplit           1
- acceleration/energy drift too large   5.05659941681037     
-   31.8337369644708       split increased to            2  itime       36265 
+ acceleration/energy drift too large   4.25311269514877     
+   12.1931048233601       split increased to            2  itime       37870 
   itsplit           1
 Velocities reset to random values, time             7999.80
- acceleration/energy drift too large   2.71434857030693     
-   17.4163763879749       split increased to            2  itime       40190 
+ acceleration/energy drift too large   3.85720530076065     
+   10.7533701949358       split increased to            2  itime       40923 
   itsplit           1
- acceleration/energy drift too large   4.30804696366580     
-   13.8194511957359       split increased to            2  itime       42937 
+ acceleration/energy drift too large   4.70796821872959     
+   10.0261038188810       split increased to            2  itime       42324 
   itsplit           1
- acceleration/energy drift too large   5.36273804328155     
-   14.7019083967302       split increased to            2  itime       46432 
+ acceleration/energy drift too large   3.96818438961114     
+   10.8885252102699       split increased to            2  itime       42612 
   itsplit           1
- acceleration/energy drift too large   5.21978786131259     
-   30.1432910261118       split increased to            2  itime       46504 
+ acceleration/energy drift too large   4.09393162352054     
+   11.5790376309746       split increased to            2  itime       43050 
   itsplit           1
- acceleration/energy drift too large   3.99436874867100     
-   13.2783035079613       split increased to            2  itime       48239 
+ acceleration/energy drift too large   4.11712862523380     
+   11.0072201435151       split increased to            2  itime       44766 
   itsplit           1
-Velocities reset to random values, time             9999.80
- acceleration/energy drift too large   3.96343649671360     
-   11.8225748608274       split increased to            2  itime       50401 
+ acceleration/energy drift too large   2.35382036918792     
+   13.3099228493673       split increased to            2  itime       45474 
+  itsplit           1
+ acceleration/energy drift too large   1.94630935135251     
+   10.9177661801165       split increased to            2  itime       46476 
   itsplit           1
- acceleration/energy drift too large   3.50803757267449     
-   12.7784136139136       split increased to            2  itime       51287 
+ acceleration/energy drift too large   2.06980925461797     
+   11.8933888628329       split increased to            2  itime       47581 
   itsplit           1
- acceleration/energy drift too large   6.23134277699863     
-   19.9603968582112       split increased to            2  itime       52940 
+ acceleration/energy drift too large   9.10461204955003     
+   26.4122572834987       split increased to            2  itime       47995 
   itsplit           1
- acceleration/energy drift too large   6.51677331640127     
-   19.0647823515166       split increased to            2  itime       53907 
+ acceleration/energy drift too large   7.65514960946350     
+   16.0520658295329       split increased to            2  itime       48706 
   itsplit           1
- acceleration/energy drift too large   3.15503159133594     
-   11.4554547415408       split increased to            2  itime       53908 
+ acceleration/energy drift too large   5.00524961909485     
+   15.1658758532439       split increased to            2  itime       48825 
   itsplit           1
- acceleration/energy drift too large   6.84515553641081     
-   14.3026941075444       split increased to            2  itime       54963 
+Velocities reset to random values, time             9999.80
+ acceleration/energy drift too large   4.96256603098756     
+   18.3691428119523       split increased to            2  itime       51876 
   itsplit           1
- acceleration/energy drift too large   5.20299172981178     
-   15.1228442011201       split increased to            2  itime       57697 
+ acceleration/energy drift too large   6.17016796366666     
+   21.0175151708704       split increased to            2  itime       53149 
   itsplit           1
- acceleration/energy drift too large   3.30207550227888     
-   23.1093744770291       split increased to            2  itime       58475 
+ acceleration/energy drift too large   5.29951934386337     
+   31.9533628880177       split increased to            2  itime       53272 
   itsplit           1
- acceleration/energy drift too large   4.89942409120106     
-   12.1031448388269       split increased to            2  itime       59227 
+ acceleration/energy drift too large   4.68375061639108     
+   12.7060473695889       split increased to            2  itime       53395 
   itsplit           1
- acceleration/energy drift too large   3.17787244403120     
-   16.4718673445683       split increased to            2  itime       59781 
+ acceleration/energy drift too large   3.20466394431315     
+   19.7717416088959       split increased to            2  itime       53446 
+  itsplit           1
+ acceleration/energy drift too large   4.85961281423604     
+   11.0926402202715       split increased to            2  itime       54681 
+  itsplit           1
+ acceleration/energy drift too large   4.14153258922024     
+   12.0395465482629       split increased to            2  itime       56699 
+  itsplit           1
+ acceleration/energy drift too large   2.72601920768183     
+   12.3525016323719       split increased to            2  itime       58003 
+  itsplit           1
+ acceleration/energy drift too large   6.55696556129599     
+   14.2429255435316       split increased to            2  itime       58834 
   itsplit           1
 Velocities reset to random values, time            11999.80
- acceleration/energy drift too large   6.97338281423259     
-   17.1968575059626       split increased to            2  itime       65549 
+ acceleration/energy drift too large   7.12474949730125     
+   22.0427565925556       split increased to            2  itime       61766 
+  itsplit           1
+ acceleration/energy drift too large   4.57337960000594     
+   13.0230047455612       split increased to            2  itime       61925 
+  itsplit           1
+ acceleration/energy drift too large   5.02909377016599     
+   11.6681422766353       split increased to            2  itime       62314 
   itsplit           1
- acceleration/energy drift too large   7.64008965585912     
-   25.1540520977120       split increased to            2  itime       66999 
+ acceleration/energy drift too large   6.35545410294304     
+   13.7955727228278       split increased to            2  itime       62315 
   itsplit           1
- acceleration/energy drift too large   9.86056027080071     
-   44.9702180104463       split increased to            2  itime       67318 
+ acceleration/energy drift too large   3.84637140197231     
+   15.8731664253529       split increased to            2  itime       62390 
   itsplit           1
- acceleration/energy drift too large   3.21827674595868     
-   11.6977308236240       split increased to            2  itime       69680 
+ acceleration/energy drift too large   7.51463114258450     
+   37.0097708173328       split increased to            2  itime       62628 
+  itsplit           1
+ acceleration/energy drift too large   2.74527858013029     
+   18.5089597227240       split increased to            2  itime       63937 
+  itsplit           1
+ acceleration/energy drift too large   3.02629594123442     
+   15.2557094699447       split increased to            2  itime       67453 
+  itsplit           1
+ acceleration/energy drift too large   4.88402970109660     
+   12.8773440495137       split increased to            2  itime       67756 
   itsplit           1
 Velocities reset to random values, time            13999.80
- acceleration/energy drift too large   4.30731565909926     
-   20.7967818934947       split increased to            2  itime       72030 
+ acceleration/energy drift too large   4.64262254089198     
+   12.9253616962702       split increased to            2  itime       70092 
+  itsplit           1
+ acceleration/energy drift too large   6.53041013165571     
+   25.3486436718531       split increased to            2  itime       70359 
+  itsplit           1
+ acceleration/energy drift too large   7.57807972570140     
+   25.2793900559892       split increased to            2  itime       72857 
   itsplit           1
- acceleration/energy drift too large   7.83388976415359     
-   26.1373163125412       split increased to            2  itime       72712 
+ acceleration/energy drift too large   9.29548902353072     
+   42.5960306524631       split increased to            2  itime       72991 
   itsplit           1
- acceleration/energy drift too large   4.07923425251393     
-   11.5761095281845       split increased to            2  itime       73293 
+ acceleration/energy drift too large   5.75244529897706     
+   10.9510885251213       split increased to            2  itime       73642 
   itsplit           1
- acceleration/energy drift too large   7.07820634835438     
-   25.5314618601109       split increased to            2  itime       75847 
+ acceleration/energy drift too large   11.4395965515086     
+   60.0948035321383       split increased to            2  itime       74388 
   itsplit           1
- acceleration/energy drift too large   5.30631216749777     
-   19.3819517361230       split increased to            2  itime       77813 
+ acceleration/energy drift too large   2.22631705367035     
+   11.4713659959425       split increased to            2  itime       76683 
   itsplit           1
- acceleration/energy drift too large   4.90137388269755     
-   21.9389523332814       split increased to            2  itime       78647 
+ acceleration/energy drift too large   9.84608215173027     
+   34.3450966126282       split increased to            2  itime       77552 
   itsplit           1
- acceleration/energy drift too large   4.37302703630593     
-   12.8814610195086       split increased to            2  itime       78761 
+ acceleration/energy drift too large   4.20929349125431     
+   17.9775830371482       split increased to            2  itime       79436 
+  itsplit           1
+ acceleration/energy drift too large   4.61379006684879     
+   20.2989056521177       split increased to            2  itime       79589 
   itsplit           1
 Velocities reset to random values, time            15999.80
- acceleration/energy drift too large   12.5793161019678     
-   77.1606597567833       split increased to            2  itime       81690 
+ acceleration/energy drift too large   5.50108596343538     
+   10.6878119019872       split increased to            2  itime       80008 
   itsplit           1
- acceleration/energy drift too large   14.1433369956199     
-   83.7077947516374       split increased to            2  itime       81946 
+ acceleration/energy drift too large   2.37118338977475     
+   10.3256968971107       split increased to            2  itime       81194 
   itsplit           1
- acceleration/energy drift too large   4.14781018166589     
-   11.7223005932215       split increased to            2  itime       82378 
+ acceleration/energy drift too large   4.31667605360844     
+   15.2052353631072       split increased to            2  itime       83700 
   itsplit           1
- acceleration/energy drift too large   2.59175652275193     
-   10.0451105914574       split increased to            2  itime       84005 
+ acceleration/energy drift too large   4.82637085599304     
+   23.3381873707151       split increased to            2  itime       84232 
   itsplit           1
- acceleration/energy drift too large   3.56050764257851     
-   19.2265506063186       split increased to            2  itime       85523 
+ acceleration/energy drift too large   4.96954630655769     
+   30.7957769669266       split increased to            2  itime       84269 
   itsplit           1
- acceleration/energy drift too large   2.57060234801271     
-   11.5463540288606       split increased to            2  itime       85524 
+ acceleration/energy drift too large   3.85455979578227     
+   13.9604757007354       split increased to            2  itime       84376 
   itsplit           1
- acceleration/energy drift too large   7.06696413701550     
-   15.3165037672047       split increased to            2  itime       89847 
+ acceleration/energy drift too large   2.67927691395306     
+   12.2165085498758       split increased to            2  itime       86011 
   itsplit           1
-Velocities reset to random values, time            17999.80
- acceleration/energy drift too large   10.2370360008905     
-   48.8123972161011       split increased to            2  itime       94395 
+ acceleration/energy drift too large   2.91031747948615     
+   13.1206077770531       split increased to            2  itime       86348 
   itsplit           1
- acceleration/energy drift too large   2.47298724447893     
-   11.4227253581067       split increased to            4  itime       94395 
-  itsplit           2
- acceleration/energy drift too large   6.12282835799477     
-   18.6950582486677       split increased to            2  itime       95973 
+ acceleration/energy drift too large   6.77072466643258     
+   18.4549273126829       split increased to            2  itime       88337 
   itsplit           1
- acceleration/energy drift too large   7.53154738738746     
-   26.9331387043654       split increased to            2  itime       96333 
+ acceleration/energy drift too large   5.03953151137243     
+   12.7177514592325       split increased to            2  itime       89436 
   itsplit           1
- acceleration/energy drift too large   7.17138345743283     
-   22.1398257918480       split increased to            2  itime       97687 
+Velocities reset to random values, time            17999.80
+ acceleration/energy drift too large   2.11777019420856     
+   10.7749222926264       split increased to            2  itime       92164 
+  itsplit           1
+ acceleration/energy drift too large   1.90319180289364     
+   10.2714078201419       split increased to            2  itime       94344 
   itsplit           1
- acceleration/energy drift too large   5.39476831940613     
-   14.6186292280039       split increased to            2  itime       98250 
+ acceleration/energy drift too large   4.49449982744576     
+   16.6526232289962       split increased to            2  itime       98465 
   itsplit           1
 Velocities reset to random values, time            19999.80
  REMD synchro at      100000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   32.4570312500000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
+ REMD gather times=   40.7031250000000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.00000    1
-ACC   2   260.00000     1.00000    1
+ACC   1   250.00000     1.00000    1
+ACC   2   260.00000     0.00000    1
 ACC   3   270.00000     1.00000    1
 ACC   4   280.00000     1.00000    1
 ACC   5   290.00000     1.00000    1
-ACC   6   300.00000     0.00000    1
-ACC   7   310.00000     1.00000    1
+ACC   6   300.00000     1.00000    1
+ACC   7   310.00000     0.00000    1
 ACC   8   320.00000     1.00000    1
 ACC   9   330.00000     1.00000    1
 ACC  10   340.00000     0.00000    1
 ACC  11   350.00000     1.00000    1
 ACC  12   360.00000     1.00000    1
 ACC  13   370.00000     1.00000    1
-ACC  14   380.00000     0.00000    1
+ACC  14   380.00000     1.00000    1
 ACC  15   390.00000     1.00000    1
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   5.51742436744485     
-   14.0265976214885       split increased to            2  itime      100969 
+ acceleration/energy drift too large   4.35448070508831     
+   13.8446433589411       split increased to            2  itime      100323 
   itsplit           1
- acceleration/energy drift too large   8.07631683553030     
-   27.4157645268179       split increased to            2  itime      101211 
-  itsplit           1
- acceleration/energy drift too large   7.53875747318140     
-   25.3328732954551       split increased to            2  itime      108352 
-  itsplit           1
-Velocities reset to random values, time            21999.80
- acceleration/energy drift too large   9.39240083505564     
-   39.4249240389017       split increased to            2  itime      110190 
+ acceleration/energy drift too large   9.10122520864291     
+   38.0141323325797       split increased to            2  itime      103166 
   itsplit           1
- acceleration/energy drift too large   4.76024818679591     
-   30.4924635834113       split increased to            2  itime      110638 
+ acceleration/energy drift too large   7.33321494991676     
+   17.4365905621355       split increased to            2  itime      103334 
   itsplit           1
- acceleration/energy drift too large   1.31288243287358     
-   10.8527620928399       split increased to            2  itime      110639 
+ acceleration/energy drift too large   4.03416178930275     
+   14.7407403165802       split increased to            2  itime      104813 
   itsplit           1
- acceleration/energy drift too large   6.81636183959539     
-   33.1184415378304       split increased to            2  itime      112145 
+ acceleration/energy drift too large   5.07776178961767     
+   24.5089488434180       split increased to            2  itime      107051 
   itsplit           1
- acceleration/energy drift too large   3.98665078701864     
-   21.8401031536524       split increased to            2  itime      112531 
+ acceleration/energy drift too large   5.83433628505584     
+   11.0882735379548       split increased to            2  itime      107519 
   itsplit           1
- acceleration/energy drift too large   2.30301545304386     
-   13.1975597100287       split increased to            2  itime      112566 
+ acceleration/energy drift too large   2.58209681131064     
+   16.9909667876258       split increased to            2  itime      107763 
   itsplit           1
- acceleration/energy drift too large   5.77055810298729     
-   20.6058094052798       split increased to            2  itime      115260 
+ acceleration/energy drift too large   4.83068352453098     
+   17.4988377320686       split increased to            2  itime      107878 
   itsplit           1
- acceleration/energy drift too large   4.92220818641102     
-   11.3454156652110       split increased to            2  itime      115909 
+ acceleration/energy drift too large   4.32781910400729     
+   19.6525957626685       split increased to            2  itime      108393 
   itsplit           1
- acceleration/energy drift too large   2.14761338786285     
-   11.1477590847579       split increased to            2  itime      117210 
+ acceleration/energy drift too large   4.92725474578742     
+   27.3936140459521       split increased to            2  itime      108690 
   itsplit           1
- acceleration/energy drift too large   5.23498360872986     
-   27.0934886945752       split increased to            2  itime      119472 
+ acceleration/energy drift too large   6.04694829592555     
+   14.0820008455919       split increased to            2  itime      108824 
   itsplit           1
- acceleration/energy drift too large   4.11585782105189     
-   11.4508735593269       split increased to            2  itime      119533 
+Velocities reset to random values, time            21999.80
+ acceleration/energy drift too large   2.31334984161789     
+   11.0510007802944       split increased to            2  itime      113675 
   itsplit           1
-Velocities reset to random values, time            23999.80
- acceleration/energy drift too large   2.43798570374047     
-   11.1861669030335       split increased to            2  itime      120113 
+ acceleration/energy drift too large   9.08574561915987     
+   36.2334279426986       split increased to            2  itime      113795 
   itsplit           1
- acceleration/energy drift too large   11.7521488319802     
-   61.7701860413211       split increased to            2  itime      123112 
+ acceleration/energy drift too large   2.85772593867820     
+   20.5985997257337       split increased to            2  itime      115172 
   itsplit           1
- acceleration/energy drift too large   2.53897053368932     
-   11.3666539546643       split increased to            2  itime      125045 
+ acceleration/energy drift too large   5.63586016608634     
+   13.3027742623851       split increased to            2  itime      115983 
   itsplit           1
- acceleration/energy drift too large   12.8387105719924     
-   54.5120891554408       split increased to            2  itime      125202 
+ acceleration/energy drift too large   6.20811917219129     
+   16.7692644070182       split increased to            2  itime      117311 
   itsplit           1
- acceleration/energy drift too large   10.9350899589753     
-   56.2610284056609       split increased to            2  itime      125646 
+ acceleration/energy drift too large   7.62107699311359     
+   30.3679961139096       split increased to            2  itime      117654 
   itsplit           1
- acceleration/energy drift too large   13.8303247530903     
-   85.2058047271786       split increased to            2  itime      125879 
+Velocities reset to random values, time            23999.80
+ acceleration/energy drift too large   3.13359422976402     
+   16.7704903423790       split increased to            2  itime      122162 
   itsplit           1
- acceleration/energy drift too large   4.20972635890044     
-   11.7844987862646       split increased to            2  itime      126284 
+ acceleration/energy drift too large   5.39673707607405     
+   12.4650082655816       split increased to            2  itime      125438 
   itsplit           1
- acceleration/energy drift too large   5.62409852785931     
-   14.3089065432378       split increased to            2  itime      126902 
+ acceleration/energy drift too large   5.68067325824305     
+   19.5477835104925       split increased to            2  itime      125841 
   itsplit           1
- acceleration/energy drift too large   11.6497884218717     
-   61.8300321802005       split increased to            2  itime      127489 
+ acceleration/energy drift too large   5.28867228957150     
+   12.8872218727007       split increased to            2  itime      126987 
   itsplit           1
- acceleration/energy drift too large   3.52041662786424     
-   26.5497349239630       split increased to            2  itime      128825 
+ acceleration/energy drift too large   5.23392675566275     
+   15.8307586052208       split increased to            2  itime      127635 
   itsplit           1
- acceleration/energy drift too large   9.91725669960011     
-   48.0420317005275       split increased to            2  itime      129459 
+ acceleration/energy drift too large   4.22226038060222     
+   11.4869896794526       split increased to            2  itime      128683 
   itsplit           1
 Velocities reset to random values, time            25999.80
- acceleration/energy drift too large   6.33840263238366     
-   19.8955965216626       split increased to            2  itime      131496 
+ acceleration/energy drift too large   10.2897108060629     
+   47.2655773405908       split increased to            2  itime      131897 
   itsplit           1
- acceleration/energy drift too large   6.89779881849586     
-   24.6361446985916       split increased to            2  itime      131719 
+ acceleration/energy drift too large   4.63961305374192     
+   19.7877922019811       split increased to            2  itime      132475 
   itsplit           1
- acceleration/energy drift too large   8.64476537657602     
-   38.5151251917489       split increased to            2  itime      135543 
+ acceleration/energy drift too large   3.79191474848373     
+   11.2296364330073       split increased to            2  itime      133469 
   itsplit           1
- acceleration/energy drift too large   2.73210798461626     
-   15.9427674606313       split increased to            2  itime      136208 
+ acceleration/energy drift too large   5.55808496076198     
+   13.0888388315887       split increased to            2  itime      134208 
   itsplit           1
- acceleration/energy drift too large   3.99145270898172     
-   23.1504394395399       split increased to            2  itime      137549 
+ acceleration/energy drift too large   3.40324385673822     
+   10.9946173158140       split increased to            2  itime      135224 
   itsplit           1
- acceleration/energy drift too large   2.97411118249101     
-   13.3313779276461       split increased to            2  itime      137550 
+ acceleration/energy drift too large   2.40033467565452     
+   14.5839349222692       split increased to            2  itime      135587 
   itsplit           1
- acceleration/energy drift too large   7.34453895024246     
-   23.0423555004243       split increased to            2  itime      138034 
-  itsplit           1
- acceleration/energy drift too large   4.13591996818445     
-   13.7228637318129       split increased to            2  itime      139196 
+ acceleration/energy drift too large   2.20051529212891     
+   12.1343147458011       split increased to            2  itime      137113 
   itsplit           1
 Velocities reset to random values, time            27999.80
- acceleration/energy drift too large   5.27170590488248     
-   15.8994715154301       split increased to            2  itime      141895 
+ acceleration/energy drift too large   1.51243590564560     
+   10.4125643397107       split increased to            2  itime      141421 
   itsplit           1
- acceleration/energy drift too large   2.29549552314348     
-   11.3527523827965       split increased to            2  itime      142335 
+ acceleration/energy drift too large   2.24851777080701     
+   12.8862673504551       split increased to            2  itime      142525 
   itsplit           1
- acceleration/energy drift too large   2.80950075819075     
-   17.5454765181910       split increased to            2  itime      146511 
+ acceleration/energy drift too large   1.86181300710243     
+   11.9943618375029       split increased to            2  itime      143745 
   itsplit           1
- acceleration/energy drift too large   7.66979890644345     
-   28.1269913668128       split increased to            2  itime      146571 
+ acceleration/energy drift too large   3.34931468736467     
+   13.1747705305961       split increased to            2  itime      144553 
   itsplit           1
- acceleration/energy drift too large   1.83750482976047     
-   11.2927046869647       split increased to            2  itime      147455 
+ acceleration/energy drift too large   5.45961170533437     
+   16.3411696913215       split increased to            2  itime      145648 
   itsplit           1
- acceleration/energy drift too large   4.49097553734581     
-   13.5025464597718       split increased to            2  itime      148360 
+ acceleration/energy drift too large   5.03682432677429     
+   13.1728740518157       split increased to            2  itime      147537 
   itsplit           1
- acceleration/energy drift too large   12.7753819538135     
-   67.2597458490523       split increased to            2  itime      149346 
+ acceleration/energy drift too large   2.94172430796647     
+   10.6658719607246       split increased to            2  itime      148657 
   itsplit           1
 Velocities reset to random values, time            29999.80
- acceleration/energy drift too large   3.13918770825019     
-   12.9183895635247       split increased to            2  itime      150047 
+ acceleration/energy drift too large   3.36012645724516     
+   18.2415358505736       split increased to            2  itime      150136 
   itsplit           1
- acceleration/energy drift too large   7.70495773801530     
-   27.4202024361163       split increased to            2  itime      150578 
+ acceleration/energy drift too large   4.50367798267562     
+   10.9513549551997       split increased to            2  itime      152854 
   itsplit           1
- acceleration/energy drift too large   4.50509674993982     
-   12.6869728568690       split increased to            2  itime      151694 
+ acceleration/energy drift too large   6.64432852014870     
+   23.2809343576262       split increased to            2  itime      154938 
   itsplit           1
- acceleration/energy drift too large   2.46122634502520     
-   10.4875528280421       split increased to            2  itime      153958 
+ acceleration/energy drift too large   9.68701714425696     
+   27.7131509314324       split increased to            2  itime      157526 
   itsplit           1
- acceleration/energy drift too large   3.30042271841076     
-   11.7664919359739       split increased to            2  itime      154278 
+ acceleration/energy drift too large   5.02180381636210     
+   15.2005372941025       split increased to            2  itime      158091 
   itsplit           1
- acceleration/energy drift too large   2.91433380110864     
-   17.4391177991060       split increased to            2  itime      156449 
+ acceleration/energy drift too large   9.98212667355771     
+   40.9197199265875       split increased to            2  itime      158606 
   itsplit           1
- acceleration/energy drift too large   2.65241760471706     
-   15.3892689211646       split increased to            2  itime      157551 
+ acceleration/energy drift too large   5.92400546526831     
+   10.8486740550381       split increased to            2  itime      158607 
   itsplit           1
 Velocities reset to random values, time            31999.80
- acceleration/energy drift too large   4.86481547725471     
-   13.0337216522816       split increased to            2  itime      161291 
+ acceleration/energy drift too large   6.63677126385129     
+   13.4519710405256       split increased to            2  itime      161183 
   itsplit           1
- acceleration/energy drift too large   4.67711534592990     
-   19.5555895474847       split increased to            2  itime      161406 
+ acceleration/energy drift too large   9.02309977671454     
+   43.4743141599911       split increased to            2  itime      162685 
   itsplit           1
- acceleration/energy drift too large   7.24277639005596     
-   23.6959197447202       split increased to            2  itime      163001 
+ acceleration/energy drift too large   10.7477627647307     
+   56.5206090523827       split increased to            2  itime      164614 
   itsplit           1
- acceleration/energy drift too large   7.16437989183504     
-   32.4539908463105       split increased to            2  itime      165574 
+ acceleration/energy drift too large   4.37339566286833     
+   11.9320848031680       split increased to            2  itime      164825 
   itsplit           1
- acceleration/energy drift too large   8.94832543499673     
-   33.7422110303631       split increased to            2  itime      167127 
+ acceleration/energy drift too large   6.31903118179166     
+   27.2735446963399       split increased to            2  itime      166474 
   itsplit           1
- acceleration/energy drift too large   2.40318050495548     
-   12.9399160373974       split increased to            2  itime      168087 
+ acceleration/energy drift too large   9.56855466219324     
+   41.3133616825764       split increased to            2  itime      166745 
   itsplit           1
- acceleration/energy drift too large   5.08619308531763     
-   19.7772999197684       split increased to            2  itime      168216 
+ acceleration/energy drift too large   3.29687662847975     
+   10.3954562349500       split increased to            2  itime      167046 
   itsplit           1
- acceleration/energy drift too large   8.28851386545201     
-   31.6841420255888       split increased to            2  itime      168330 
+ acceleration/energy drift too large   9.29598597418801     
+   41.1802372258857       split increased to            2  itime      167521 
   itsplit           1
- acceleration/energy drift too large   5.17352821027988     
-   17.4815236076176       split increased to            2  itime      168639 
+ acceleration/energy drift too large   2.42206525721097     
+   13.4448009896313       split increased to            2  itime      168510 
   itsplit           1
- acceleration/energy drift too large   2.66900352352891     
-   15.7196773953528       split increased to            2  itime      169647 
+ acceleration/energy drift too large   2.55136709205292     
+   15.5962530869405       split increased to            2  itime      169889 
   itsplit           1
 Velocities reset to random values, time            33999.80
- acceleration/energy drift too large   2.84582404833511     
-   13.3758961875279       split increased to            2  itime      171732 
+ acceleration/energy drift too large   8.83122990483117     
+   22.6521215967247       split increased to            2  itime      170303 
   itsplit           1
- acceleration/energy drift too large   4.37087753838403     
-   11.9358322781346       split increased to            2  itime      173108 
+ acceleration/energy drift too large   9.21009913786138     
+   37.6561438646460       split increased to            2  itime      170521 
   itsplit           1
- acceleration/energy drift too large   7.26616424956899     
-   26.7344874442642       split increased to            2  itime      174105 
+ acceleration/energy drift too large   3.48739909254491     
+   10.1034471242695       split increased to            2  itime      171396 
   itsplit           1
- acceleration/energy drift too large   2.91326123770430     
-   17.0570957437834       split increased to            2  itime      174759 
+ acceleration/energy drift too large   6.98696370027955     
+   23.8374696957620       split increased to            2  itime      171515 
   itsplit           1
- acceleration/energy drift too large   4.94938768193702     
-   15.8387782647101       split increased to            2  itime      176274 
+ acceleration/energy drift too large   3.35531610328897     
+   10.9981633001393       split increased to            2  itime      171580 
   itsplit           1
- acceleration/energy drift too large   2.40495213231953     
-   11.3032965130233       split increased to            2  itime      177958 
+ acceleration/energy drift too large   8.07241169933481     
+   39.9957178029709       split increased to            2  itime      172646 
   itsplit           1
- acceleration/energy drift too large   5.47005295188550     
-   18.8364891836282       split increased to            2  itime      178041 
+ acceleration/energy drift too large   3.74425066749434     
+   10.7421718827410       split increased to            2  itime      173898 
   itsplit           1
- acceleration/energy drift too large   4.32677806734398     
-   14.0369541480040       split increased to            2  itime      179811 
+ acceleration/energy drift too large   4.09077031120363     
+   20.4138189459720       split increased to            2  itime      174085 
   itsplit           1
-Velocities reset to random values, time            35999.80
- acceleration/energy drift too large   2.13713649414502     
-   11.4238786773806       split increased to            2  itime      182294 
+ acceleration/energy drift too large   6.26747919763318     
+   19.3655660658169       split increased to            2  itime      174385 
+  itsplit           1
+ acceleration/energy drift too large   5.12079076084499     
+   19.8211658321753       split increased to            2  itime      174408 
   itsplit           1
- acceleration/energy drift too large   3.63311417481270     
-   10.9196211161612       split increased to            2  itime      182445 
+ acceleration/energy drift too large   11.6070059234368     
+   56.7944264555530       split increased to            2  itime      174542 
   itsplit           1
- acceleration/energy drift too large   5.22807673884063     
-   12.6896019176836       split increased to            2  itime      183672 
+ acceleration/energy drift too large   5.64271108431878     
+   16.1575599927218       split increased to            2  itime      177089 
   itsplit           1
- acceleration/energy drift too large   3.97075634982625     
-   10.8151470781805       split increased to            2  itime      184124 
+ acceleration/energy drift too large   5.92551738900429     
+   26.4343943067627       split increased to            2  itime      177561 
   itsplit           1
- acceleration/energy drift too large   1.66428664666589     
-   10.6981642972458       split increased to            2  itime      184576 
+ acceleration/energy drift too large   4.99199180829665     
+   13.7084327060582       split increased to            2  itime      177843 
   itsplit           1
- acceleration/energy drift too large   3.19698191856337     
-   15.6513406019465       split increased to            2  itime      187296 
+ acceleration/energy drift too large   4.32576336099416     
+   12.1621048922766       split increased to            2  itime      178120 
   itsplit           1
- acceleration/energy drift too large   3.50528451775033     
-   23.6957909486519       split increased to            2  itime      188215 
+ acceleration/energy drift too large   4.94170430783359     
+   11.9934943440670       split increased to            2  itime      178559 
   itsplit           1
- acceleration/energy drift too large   7.70753601951289     
-   25.5040547735754       split increased to            2  itime      188485 
+ acceleration/energy drift too large   4.63063674500056     
+   15.2037357814957       split increased to            2  itime      179629 
+  itsplit           1
+Velocities reset to random values, time            35999.80
+ acceleration/energy drift too large   2.40543951143176     
+   13.6095987658594       split increased to            2  itime      183487 
+  itsplit           1
+ acceleration/energy drift too large   7.59166874978070     
+   16.9312036859759       split increased to            2  itime      185431 
+  itsplit           1
+ acceleration/energy drift too large   4.73780332337024     
+   11.9427673447535       split increased to            2  itime      189811 
   itsplit           1
 Velocities reset to random values, time            37999.80
- acceleration/energy drift too large   7.30201529134417     
-   29.3612786650354       split increased to            2  itime      190097 
+ acceleration/energy drift too large   4.51385244779712     
+   13.3188888785989       split increased to            2  itime      190291 
+  itsplit           1
+ acceleration/energy drift too large   5.43517833888924     
+   13.1128761945997       split increased to            2  itime      190475 
   itsplit           1
- acceleration/energy drift too large   2.97663403371506     
-   10.5329409432660       split increased to            2  itime      192229 
+ acceleration/energy drift too large   6.61543911793257     
+   18.7309363335260       split increased to            2  itime      191542 
   itsplit           1
- acceleration/energy drift too large   6.00102112501053     
-   17.2545438006455       split increased to            2  itime      192358 
+ acceleration/energy drift too large   10.2079615199183     
+   55.0917389987583       split increased to            2  itime      191713 
   itsplit           1
- acceleration/energy drift too large   7.11490690952608     
-   23.9903146343609       split increased to            2  itime      193013 
+ acceleration/energy drift too large   9.54919131748580     
+   53.1830142226373       split increased to            2  itime      193417 
   itsplit           1
- acceleration/energy drift too large   3.63050744544843     
-   10.5030943717994       split increased to            2  itime      196768 
+ acceleration/energy drift too large   5.22498373776129     
+   13.9161593831138       split increased to            2  itime      193823 
   itsplit           1
- acceleration/energy drift too large   4.38219369716297     
-   12.4620798509392       split increased to            2  itime      198899 
+ acceleration/energy drift too large   4.90175789355778     
+   17.9210202820440       split increased to            2  itime      195121 
+  itsplit           1
+ acceleration/energy drift too large   5.02477140817033     
+   15.0376588234653       split increased to            2  itime      195906 
+  itsplit           1
+ acceleration/energy drift too large   7.29923138334724     
+   23.1812204832951       split increased to            2  itime      195965 
+  itsplit           1
+ acceleration/energy drift too large   5.71234101740440     
+   28.1120096098226       split increased to            2  itime      196182 
   itsplit           1
 Velocities reset to random values, time            39999.80
  REMD synchro at      200000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   65.0585937500000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
+ REMD gather times=   81.4960937500000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.50000    2
-ACC   2   260.00000     1.00000    2
-ACC   3   270.00000     0.50000    2
-ACC   4   280.00000     1.00000    2
+ACC   2   260.00000     0.00000    2
+ACC   3   270.00000     1.00000    2
+ACC   4   280.00000     0.50000    2
 ACC   5   290.00000     1.00000    2
-ACC   6   300.00000     0.50000    2
-ACC   7   310.00000     1.00000    2
-ACC   8   320.00000     0.50000    2
+ACC   6   300.00000     1.00000    2
+ACC   7   310.00000     0.00000    2
+ACC   8   320.00000     1.00000    2
 ACC   9   330.00000     1.00000    2
 ACC  10   340.00000     0.50000    2
 ACC  11   350.00000     0.50000    2
 ACC  12   360.00000     1.00000    2
 ACC  13   370.00000     1.00000    2
-ACC  14   380.00000     0.50000    2
+ACC  14   380.00000     1.00000    2
 ACC  15   390.00000     1.00000    2
- REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   4.12005598746506     
-   26.8265104044733       split increased to            2  itime      201171 
+ REMD scatter time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   3.64029108679463     
+   11.5808204189943       split increased to            2  itime      200127 
   itsplit           1
- acceleration/energy drift too large   5.06408092657911     
-   11.7619391109019       split increased to            2  itime      205881 
+ acceleration/energy drift too large   7.84893539743313     
+   20.2866410836206       split increased to            2  itime      200971 
   itsplit           1
- acceleration/energy drift too large   3.95228704486008     
-   10.7175271232026       split increased to            2  itime      205946 
+ acceleration/energy drift too large   8.61828598982526     
+   31.2234501134643       split increased to            2  itime      200991 
   itsplit           1
- acceleration/energy drift too large   4.94083300177811     
-   12.3070448407487       split increased to            2  itime      205981 
+ acceleration/energy drift too large   3.90898684769792     
+   12.8182943612382       split increased to            2  itime      201106 
   itsplit           1
- acceleration/energy drift too large   14.0838944511248     
-   77.7514175852990       split increased to            2  itime      207654 
+ acceleration/energy drift too large   4.99620821795401     
+   31.4141118797693       split increased to            2  itime      202501 
   itsplit           1
- acceleration/energy drift too large   3.54383555671123     
-   19.7659337009395       split increased to            4  itime      207654 
-  itsplit           2
- acceleration/energy drift too large   3.02034284515368     
-   11.4558591427247       split increased to            2  itime      209866 
+ acceleration/energy drift too large   4.11614735585937     
+   12.1594147833547       split increased to            2  itime      203548 
   itsplit           1
- acceleration/energy drift too large   4.17936302127454     
-   20.4803767434982       split increased to            2  itime      209883 
+ acceleration/energy drift too large   8.21142321791518     
+   27.3137190575929       split increased to            2  itime      203955 
   itsplit           1
-Velocities reset to random values, time            41999.80
- acceleration/energy drift too large   5.38994510406471     
-   31.4907267266831       split increased to            2  itime      210052 
+ acceleration/energy drift too large   4.08842412054590     
+   11.4467897768593       split increased to            2  itime      204624 
   itsplit           1
- acceleration/energy drift too large   11.1927643619579     
-   51.3158581610119       split increased to            2  itime      211225 
+ acceleration/energy drift too large   2.91511126819742     
+   10.4004748089627       split increased to            2  itime      204625 
   itsplit           1
- acceleration/energy drift too large   5.95818691696201     
-   11.9755156929437       split increased to            2  itime      212943 
+ acceleration/energy drift too large   7.97609970177051     
+   17.0341262811947       split increased to            2  itime      206420 
   itsplit           1
- acceleration/energy drift too large   5.85919212752276     
-   15.1525322983036       split increased to            2  itime      215707 
+ acceleration/energy drift too large   3.93332263000041     
+   10.8824839165261       split increased to            2  itime      206962 
   itsplit           1
- acceleration/energy drift too large   4.48717380378777     
-   12.3899819649136       split increased to            2  itime      215726 
+ acceleration/energy drift too large   2.11294819353670     
+   14.7854318315743       split increased to            2  itime      207256 
   itsplit           1
- acceleration/energy drift too large   4.41952874000882     
-   15.9157891887456       split increased to            2  itime      218908 
+ acceleration/energy drift too large   4.44706169021173     
+   14.5530567176186       split increased to            2  itime      208568 
   itsplit           1
- acceleration/energy drift too large   6.46389728068579     
-   35.5873569666876       split increased to            2  itime      219156 
+ acceleration/energy drift too large   5.01020364970164     
+   12.6036747656131       split increased to            2  itime      208643 
   itsplit           1
-Velocities reset to random values, time            43999.80
- acceleration/energy drift too large   4.91039207226218     
-   15.4373257404077       split increased to            2  itime      220001 
+Velocities reset to random values, time            41999.80
+ acceleration/energy drift too large   5.78150176725295     
+   33.3137796486345       split increased to            2  itime      212347 
   itsplit           1
- acceleration/energy drift too large   12.2732224302885     
-   56.8079617618095       split increased to            2  itime      220627 
+ acceleration/energy drift too large   2.48833566613545     
+   10.2949905328240       split increased to            2  itime      214105 
   itsplit           1
- acceleration/energy drift too large   4.81271719752747     
-   11.3228740008231       split increased to            2  itime      220912 
+ acceleration/energy drift too large   3.64618927235946     
+   18.7503821421103       split increased to            2  itime      214302 
   itsplit           1
- acceleration/energy drift too large   3.87447878159296     
-   10.8293451507620       split increased to            2  itime      221383 
+ acceleration/energy drift too large   3.07400599095336     
+   11.3383323166579       split increased to            2  itime      215814 
   itsplit           1
- acceleration/energy drift too large   5.26992023854901     
-   13.6633658720417       split increased to            2  itime      223028 
+ acceleration/energy drift too large   4.42973008487847     
+   20.3411262897984       split increased to            2  itime      216252 
   itsplit           1
- acceleration/energy drift too large   4.55885166032367     
-   15.7150206068581       split increased to            2  itime      228478 
+ acceleration/energy drift too large   5.62920671173806     
+   32.2983009905205       split increased to            2  itime      218037 
   itsplit           1
-Velocities reset to random values, time            45999.80
- acceleration/energy drift too large   4.68899252783469     
-   11.4969623789216       split increased to            2  itime      230031 
+ acceleration/energy drift too large   5.45527892756425     
+   21.9773808882954       split increased to            2  itime      219345 
   itsplit           1
- acceleration/energy drift too large   3.71894935396341     
-   13.8702896011761       split increased to            2  itime      230039 
+ acceleration/energy drift too large   4.15721010187859     
+   20.5697747905902       split increased to            2  itime      219966 
   itsplit           1
- acceleration/energy drift too large   5.81066197577871     
-   14.7086713645803       split increased to            2  itime      230131 
+ acceleration/energy drift too large   5.33603019769579     
+   30.3679010229435       split increased to            2  itime      219983 
   itsplit           1
- acceleration/energy drift too large   12.9775047589173     
-   67.3033797903276       split increased to            2  itime      231674 
+Velocities reset to random values, time            43999.80
+ acceleration/energy drift too large   7.86255698363788     
+   24.2910471349705       split increased to            2  itime      221224 
   itsplit           1
- acceleration/energy drift too large   2.77913922606047     
-   12.5678197461230       split increased to            4  itime      231674 
-  itsplit           2
- acceleration/energy drift too large   3.20590133189049     
-   10.5492959576413       split increased to            2  itime      233247 
+ acceleration/energy drift too large   4.63244311550015     
+   18.0541134191384       split increased to            2  itime      221403 
   itsplit           1
- acceleration/energy drift too large   3.05610414398999     
-   12.0900579947977       split increased to            2  itime      233562 
+ acceleration/energy drift too large   13.1527124335790     
+   77.1748219974411       split increased to            2  itime      222333 
   itsplit           1
- acceleration/energy drift too large   2.88486602699542     
-   19.6125556144999       split increased to            2  itime      234697 
+ acceleration/energy drift too large   2.56016933409559     
+   17.6552737911425       split increased to            2  itime      222334 
   itsplit           1
- acceleration/energy drift too large   3.01148604088687     
-   10.6935522342608       split increased to            2  itime      235099 
+ acceleration/energy drift too large   7.40887283834941     
+   30.7362315013208       split increased to            2  itime      222409 
   itsplit           1
- acceleration/energy drift too large   2.10638081681988     
-   10.8366283051455       split increased to            2  itime      237838 
+ acceleration/energy drift too large   3.83870075950039     
+   13.5024094254713       split increased to            2  itime      222526 
   itsplit           1
- acceleration/energy drift too large   4.92952713491473     
-   11.6684361091211       split increased to            2  itime      238585 
+ acceleration/energy drift too large   2.97288409075136     
+   12.0415711331916       split increased to            2  itime      223341 
   itsplit           1
-Velocities reset to random values, time            47999.80
- acceleration/energy drift too large   7.21492533794259     
-   12.8010011198368       split increased to            2  itime      241924 
+ acceleration/energy drift too large   4.83229449875740     
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   itsplit           1
- acceleration/energy drift too large   4.95738912688542     
-   14.9427641999267       split increased to            2  itime      242964 
+ acceleration/energy drift too large   6.29460704954891     
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   itsplit           1
- acceleration/energy drift too large   5.65263715961087     
-   15.2728506186217       split increased to            2  itime      243369 
+ acceleration/energy drift too large   4.41765622249369     
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   itsplit           1
- acceleration/energy drift too large   5.60223112758211     
-   14.2774720664666       split increased to            2  itime      243506 
+ acceleration/energy drift too large   4.17195687990816     
+   16.4423114033335       split increased to            2  itime      225108 
   itsplit           1
- acceleration/energy drift too large   4.75963628894287     
-   10.9806253137581       split increased to            2  itime      243638 
+ acceleration/energy drift too large   4.97740142086614     
+   10.4943627686938       split increased to            2  itime      228677 
   itsplit           1
- acceleration/energy drift too large   6.15649019245663     
-   14.7533307317650       split increased to            2  itime      243787 
+Velocities reset to random values, time            45999.80
+ acceleration/energy drift too large   4.27127350688728     
+   16.0133778665926       split increased to            2  itime      230839 
   itsplit           1
- acceleration/energy drift too large   5.12660551264934     
-   12.1952853109267       split increased to            2  itime      243944 
+ acceleration/energy drift too large   3.84238305207740     
+   15.3160425709751       split increased to            2  itime      233269 
   itsplit           1
- acceleration/energy drift too large   6.11038329995401     
-   24.7509080548857       split increased to            2  itime      244108 
+ acceleration/energy drift too large   5.96490424978640     
+   35.8849072535118       split increased to            2  itime      233417 
   itsplit           1
- acceleration/energy drift too large   8.00892300283006     
-   20.0510330946193       split increased to            2  itime      244783 
+ acceleration/energy drift too large  0.969965490275774     
+   15.0758079154002       split increased to            2  itime      233418 
   itsplit           1
- acceleration/energy drift too large   3.09642709300335     
-   12.1087234656764       split increased to            2  itime      245969 
+ acceleration/energy drift too large   7.37427950936088     
+   53.9441579641732       split increased to            2  itime      233886 
   itsplit           1
- acceleration/energy drift too large   5.31086637503857     
-   16.2041290485040       split increased to            2  itime      246191 
+ acceleration/energy drift too large   9.41795446120100     
+   46.6923483267551       split increased to            2  itime      234145 
   itsplit           1
- acceleration/energy drift too large   2.78714651707087     
-   16.0413343086024       split increased to            2  itime      246386 
+ acceleration/energy drift too large   5.72509711572049     
+   31.9842401234587       split increased to            2  itime      234299 
   itsplit           1
- acceleration/energy drift too large   8.58558639017791     
-   33.1799985845112       split increased to            2  itime      247106 
+ acceleration/energy drift too large   5.04462270994681     
+   11.9549114696995       split increased to            2  itime      236561 
   itsplit           1
- acceleration/energy drift too large   3.68699369121782     
-   11.4027637890993       split increased to            2  itime      247395 
+ acceleration/energy drift too large   4.77591180817061     
+   15.8503289913584       split increased to            2  itime      236970 
   itsplit           1
- acceleration/energy drift too large   3.15046881309695     
-   17.2306592765123       split increased to            2  itime      248678 
+ acceleration/energy drift too large   9.56031823597878     
+   38.5355027802804       split increased to            2  itime      237148 
   itsplit           1
-Velocities reset to random values, time            49999.80
- acceleration/energy drift too large   5.46590387894613     
-   13.3773268869361       split increased to            2  itime      250995 
+ acceleration/energy drift too large   2.55298889382046     
+   10.1810238981961       split increased to            4  itime      237148 
   itsplit           1
- acceleration/energy drift too large   3.51492400773143     
-   11.4473208028156       split increased to            2  itime      252706 
+ acceleration/energy drift too large   5.07272249032121     
+   16.1665416130016       split increased to            2  itime      237638 
   itsplit           1
- acceleration/energy drift too large   3.23179322206460     
-   10.0465226493719       split increased to            2  itime      253636 
+ acceleration/energy drift too large   5.27519412971984     
+   24.3386506952302       split increased to            2  itime      237641 
   itsplit           1
- acceleration/energy drift too large   3.18533944039498     
-   10.8326218717861       split increased to            2  itime      254852 
+ acceleration/energy drift too large   3.76916747155580     
+   19.3249777140934       split increased to            2  itime      238007 
   itsplit           1
- acceleration/energy drift too large   6.30916306134863     
-   19.2201047617479       split increased to            2  itime      255716 
+ acceleration/energy drift too large   9.50976115289862     
+   35.9477138344235       split increased to            2  itime      238272 
   itsplit           1
- acceleration/energy drift too large   6.22279756457394     
-   18.8015833890690       split increased to            2  itime      258223 
+ acceleration/energy drift too large   8.52032923205173     
+   36.0891822567616       split increased to            2  itime      238339 
   itsplit           1
- acceleration/energy drift too large   6.25892603292813     
-   16.6726352776889       split increased to            2  itime      259428 
+ acceleration/energy drift too large   4.37531723947444     
+   28.2163048638802       split increased to            2  itime      238549 
   itsplit           1
- acceleration/energy drift too large   2.50474128600706     
-   13.2263060719779       split increased to            2  itime      259802 
+ acceleration/energy drift too large   5.83050845840029     
+   62.0343502726120       split increased to            2  itime      238652 
   itsplit           1
-Velocities reset to random values, time            51999.80
- acceleration/energy drift too large   9.69887436108203     
-   42.7700032444463       split increased to            2  itime      261389 
+ acceleration/energy drift too large   2.94147085871858     
+   18.3006940499288       split increased to            2  itime      238653 
   itsplit           1
- acceleration/energy drift too large   4.92657874789024     
-   15.2015454686545       split increased to            2  itime      266982 
-  itsplit           1
-Velocities reset to random values, time            53999.80
- acceleration/energy drift too large   4.28290698513165     
-   11.2626559291463       split increased to            2  itime      270216 
+ acceleration/energy drift too large   5.10273834765773     
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   itsplit           1
- acceleration/energy drift too large   3.17009098471273     
-   18.2859008425981       split increased to            2  itime      270908 
+ acceleration/energy drift too large   4.23402871458675     
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   itsplit           1
- acceleration/energy drift too large   2.88191663965288     
-   12.7129664832895       split increased to            2  itime      271940 
+Velocities reset to random values, time            47999.80
+ acceleration/energy drift too large   3.23999938998729     
+   12.9551205421106       split increased to            2  itime      240340 
   itsplit           1
- acceleration/energy drift too large   8.97953911000665     
-   26.0449926061857       split increased to            2  itime      272989 
+ acceleration/energy drift too large   11.2944817033609     
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   itsplit           1
- acceleration/energy drift too large   5.75003682092487     
-   11.1873394140884       split increased to            2  itime      273490 
+ acceleration/energy drift too large   3.60501336178358     
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   itsplit           1
- acceleration/energy drift too large   3.05900964176420     
-   17.9989105583477       split increased to            2  itime      275687 
+ acceleration/energy drift too large   8.24479107287119     
+   24.3249867142891       split increased to            2  itime      240788 
   itsplit           1
- acceleration/energy drift too large   5.26869415309939     
-   26.6464975094380       split increased to            2  itime      276139 
+ acceleration/energy drift too large   5.78210270383508     
+   16.4390937845794       split increased to            2  itime      241766 
   itsplit           1
- acceleration/energy drift too large   5.52160444042243     
-   28.5629386407219       split increased to            2  itime      276533 
+ acceleration/energy drift too large   5.38095702852528     
+   30.8541250240317       split increased to            2  itime      242631 
   itsplit           1
- acceleration/energy drift too large   3.89834398437638     
-   20.7807709706583       split increased to            2  itime      276777 
+ acceleration/energy drift too large   3.17985646556209     
+   10.6175984679630       split increased to            2  itime      242632 
   itsplit           1
- acceleration/energy drift too large   2.35929222026222     
-   17.6330220639635       split increased to            2  itime      277586 
+ acceleration/energy drift too large   5.61402658474446     
+   29.2120104128018       split increased to            2  itime      242875 
   itsplit           1
- acceleration/energy drift too large   5.92549302543821     
-   19.5824021700537       split increased to            2  itime      278607 
+ acceleration/energy drift too large   4.43724922702687     
+   22.4636384195783       split increased to            2  itime      246160 
   itsplit           1
- acceleration/energy drift too large   4.71335792340797     
-   13.1077127549953       split increased to            2  itime      279037 
+ acceleration/energy drift too large   8.81223496649992     
+   108.925008665967       split increased to            2  itime      246191 
   itsplit           1
- acceleration/energy drift too large   4.50657794062307     
-   10.4004743921879       split increased to            2  itime      279999 
+ acceleration/energy drift too large   7.98152961526920     
+   30.4264224879624       split increased to            2  itime      247522 
   itsplit           1
-Velocities reset to random values, time            55999.80
- acceleration/energy drift too large   6.31300669977864     
-   20.4693652293443       split increased to            2  itime      281861 
+Velocities reset to random values, time            49999.80
+ acceleration/energy drift too large   5.05546510683783     
+   15.9312413868997       split increased to            2  itime      250021 
   itsplit           1
- acceleration/energy drift too large   4.42716634402676     
-   18.9502705818514       split increased to            2  itime      283971 
+ acceleration/energy drift too large   4.52138789692115     
+   19.8559420953666       split increased to            2  itime      250499 
   itsplit           1
- acceleration/energy drift too large   8.71768505261655     
-   18.7027501102351       split increased to            2  itime      284880 
+ acceleration/energy drift too large   9.60363704417643     
+   41.0002241451348       split increased to            2  itime      250515 
   itsplit           1
- acceleration/energy drift too large   3.01831173965245     
-   13.1914074345964       split increased to            2  itime      288434 
+ acceleration/energy drift too large   6.81843958352194     
+   61.9698421949207       split increased to            2  itime      251527 
   itsplit           1
- acceleration/energy drift too large   12.7044713738884     
-   64.1380603119273       split increased to            2  itime      289056 
+ acceleration/energy drift too large   5.01191955199218     
+   18.1865685157832       split increased to            2  itime      251799 
   itsplit           1
-Velocities reset to random values, time            57999.80
- acceleration/energy drift too large   6.05774672607343     
-   18.6687610707199       split increased to            2  itime      290218 
+ acceleration/energy drift too large   7.14483123137104     
+   20.7932850361492       split increased to            2  itime      252226 
   itsplit           1
- acceleration/energy drift too large   3.81058126314949     
-   17.3394360112247       split increased to            2  itime      291486 
+ acceleration/energy drift too large   5.31798110030693     
+   31.6961813232419       split increased to            2  itime      252461 
   itsplit           1
- acceleration/energy drift too large   2.10302834353525     
-   10.7492353405089       split increased to            2  itime      291877 
+ acceleration/energy drift too large   4.15365906319537     
+   12.2946056996686       split increased to            2  itime      252486 
   itsplit           1
- acceleration/energy drift too large   8.43843898824744     
-   35.3222359656586       split increased to            2  itime      292547 
+ acceleration/energy drift too large   3.61167752280191     
+   10.1913311809426       split increased to            2  itime      252748 
   itsplit           1
- acceleration/energy drift too large   2.48813703262112     
-   11.0771824142261       split increased to            2  itime      293442 
+ acceleration/energy drift too large   4.40362732277444     
+   11.6782656860820       split increased to            2  itime      253114 
   itsplit           1
- acceleration/energy drift too large   4.21427453721844     
-   13.5045095846096       split increased to            2  itime      294765 
+ acceleration/energy drift too large   6.18158963135055     
+   46.7178019167412       split increased to            2  itime      253512 
   itsplit           1
- acceleration/energy drift too large   11.9678880049237     
-   73.7514462316036       split increased to            2  itime      296397 
+ acceleration/energy drift too large   5.03393247180098     
+   11.3332578439481       split increased to            2  itime      253844 
   itsplit           1
- acceleration/energy drift too large   2.25248980875874     
-   11.3636190035195       split increased to            4  itime      296397 
-  itsplit           2
- acceleration/energy drift too large   6.42465597627872     
-   20.2067456358300       split increased to            2  itime      297259 
+ acceleration/energy drift too large   5.30979425206005     
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   itsplit           1
- acceleration/energy drift too large   9.56793280863025     
-   39.7068406493567       split increased to            2  itime      297884 
+ acceleration/energy drift too large   3.19686669697974     
+   12.9021212289249       split increased to            2  itime      254634 
   itsplit           1
-Velocities reset to random values, time            59999.80
- REMD synchro at      300000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
- MIN ii_write=           1
- REMD gather times=   97.6328125000000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
- NREP          16
-ACC   1   250.00000     0.66667    3
-ACC   2   260.00000     0.66667    3
-ACC   3   270.00000     0.33333    3
-ACC   4   280.00000     0.66667    3
-ACC   5   290.00000     0.66667    3
-ACC   6   300.00000     0.66667    3
-ACC   7   310.00000     1.00000    3
-ACC   8   320.00000     0.33333    3
-ACC   9   330.00000     0.66667    3
-ACC  10   340.00000     0.33333    3
-ACC  11   350.00000     0.66667    3
-ACC  12   360.00000     1.00000    3
-ACC  13   370.00000     1.00000    3
-ACC  14   380.00000     0.66667    3
-ACC  15   390.00000     1.00000    3
- REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   4.74653703100026     
-   14.4961096534702       split increased to            2  itime      301817 
+ acceleration/energy drift too large   4.79260254924054     
+   28.5667905576579       split increased to            2  itime      255478 
   itsplit           1
- acceleration/energy drift too large   7.79294451616467     
-   20.2605284316772       split increased to            2  itime      301856 
+ acceleration/energy drift too large   4.65602354960583     
+   17.7759492210056       split increased to            2  itime      255953 
   itsplit           1
- acceleration/energy drift too large   3.22683717777622     
-   10.6507223254463       split increased to            2  itime      302334 
+ acceleration/energy drift too large   11.3169090224622     
+   161.243959808749       split increased to            2  itime      257193 
   itsplit           1
- acceleration/energy drift too large   3.37558102706251     
-   15.7899899006103       split increased to            2  itime      302786 
+ acceleration/energy drift too large   8.06907814347340     
+   32.2475694627116       split increased to            2  itime      257260 
   itsplit           1
- acceleration/energy drift too large   9.26967582884234     
-   40.5509422466356       split increased to            2  itime      302927 
+ acceleration/energy drift too large   2.60388286259137     
+   12.1280694685579       split increased to            2  itime      259399 
   itsplit           1
- acceleration/energy drift too large   5.59396035020687     
-   14.5198444548831       split increased to            2  itime      306770 
+ acceleration/energy drift too large   6.45796619230735     
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   itsplit           1
- acceleration/energy drift too large   3.81431259225134     
-   10.0467368891205       split increased to            2  itime      308593 
+ acceleration/energy drift too large   7.94273027558313     
+   66.5456672752248       split increased to            2  itime      259959 
   itsplit           1
- acceleration/energy drift too large   4.02776551332654     
-   11.2812309617975       split increased to            2  itime      309015 
+Velocities reset to random values, time            51999.80
+ acceleration/energy drift too large   3.88797891070357     
+   26.3442062749857       split increased to            2  itime      260276 
   itsplit           1
- acceleration/energy drift too large   2.40010355334840     
-   15.3736922789987       split increased to            2  itime      309336 
+ acceleration/energy drift too large   6.99349480011820     
+   47.7837841253383       split increased to            2  itime      260301 
   itsplit           1
-Velocities reset to random values, time            61999.80
- acceleration/energy drift too large   10.0426638739962     
-   44.1413156188282       split increased to            2  itime      310607 
+ acceleration/energy drift too large   1.57731869998459     
+   11.8990813440203       split increased to            4  itime      260301 
   itsplit           1
- acceleration/energy drift too large   5.74393443355665     
-   16.9775995733477       split increased to            2  itime      310768 
+ acceleration/energy drift too large   4.61447338962169     
+   22.9151619947389       split increased to            2  itime      260776 
   itsplit           1
- acceleration/energy drift too large   2.13155020622275     
-   11.1737821320008       split increased to            2  itime      313941 
+ acceleration/energy drift too large   7.17899670696612     
+   26.4749022442379       split increased to            2  itime      260862 
   itsplit           1
- acceleration/energy drift too large   2.56042198313778     
-   14.4427752323447       split increased to            2  itime      314099 
+ acceleration/energy drift too large   5.46685601351314     
+   17.8321954757611       split increased to            2  itime      261818 
   itsplit           1
- acceleration/energy drift too large   2.69219157590331     
-   12.0399825642012       split increased to            2  itime      317072 
+ acceleration/energy drift too large   8.37501437872455     
+   89.1916118826271       split increased to            2  itime      262814 
   itsplit           1
- acceleration/energy drift too large   4.65603573742887     
-   14.5882500375727       split increased to            2  itime      317086 
+ acceleration/energy drift too large   5.22467116630451     
+   17.0237090007236       split increased to            2  itime      263665 
   itsplit           1
- acceleration/energy drift too large   2.90391207842248     
-   17.1380162404347       split increased to            2  itime      318942 
+ acceleration/energy drift too large   5.71210911345283     
+   21.1408707305939       split increased to            2  itime      263901 
   itsplit           1
- acceleration/energy drift too large   2.47746229834933     
-   15.9575194574532       split increased to            2  itime      319238 
+ acceleration/energy drift too large   6.10003549896224     
+   23.5490643132228       split increased to            2  itime      263994 
   itsplit           1
-Velocities reset to random values, time            63999.80
- acceleration/energy drift too large   4.20284179212565     
-   12.8997545432308       split increased to            2  itime      320525 
+ acceleration/energy drift too large   8.20268850051587     
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   itsplit           1
- acceleration/energy drift too large   1.59701709664048     
-   11.1668861471805       split increased to            2  itime      320596 
+ acceleration/energy drift too large   3.88188908844422     
+   13.9856854971536       split increased to            2  itime      264691 
   itsplit           1
- acceleration/energy drift too large   8.34237184387572     
-   32.0298188717333       split increased to            2  itime      322320 
+ acceleration/energy drift too large   3.59644744767693     
+   23.4348027889077       split increased to            2  itime      265041 
   itsplit           1
- acceleration/energy drift too large   5.22605080463165     
-   12.5692654377719       split increased to            2  itime      322900 
+ acceleration/energy drift too large   5.85747097230420     
+   18.3512257605687       split increased to            2  itime      266239 
   itsplit           1
- acceleration/energy drift too large   4.76944857336988     
-   10.6149403068381       split increased to            2  itime      323261 
+ acceleration/energy drift too large   2.55022222561286     
+   12.8061798642678       split increased to            2  itime      268645 
   itsplit           1
- acceleration/energy drift too large   5.56269874546165     
-   16.3368748314025       split increased to            2  itime      325685 
+ acceleration/energy drift too large   4.49085679966644     
+   16.3684860363880       split increased to            2  itime      269570 
   itsplit           1
- acceleration/energy drift too large   2.57593305191987     
-   10.1350815779999       split increased to            2  itime      326332 
+Velocities reset to random values, time            53999.80
+ acceleration/energy drift too large   5.25274366751194     
+   18.4603368822076       split increased to            2  itime      270538 
   itsplit           1
- acceleration/energy drift too large   4.32574893165141     
-   15.0650563248663       split increased to            2  itime      327307 
+ acceleration/energy drift too large   6.23882492153760     
+   17.5633522160038       split increased to            2  itime      272608 
   itsplit           1
-Velocities reset to random values, time            65999.80
- acceleration/energy drift too large   5.12058216374403     
-   15.0524512452061       split increased to            2  itime      331794 
+ acceleration/energy drift too large   3.85640416013364     
+   11.2906373571186       split increased to            2  itime      274105 
   itsplit           1
- acceleration/energy drift too large   4.24993209532194     
-   12.7863340178675       split increased to            2  itime      332535 
+ acceleration/energy drift too large   2.27744594892197     
+   12.2783170997514       split increased to            2  itime      274415 
   itsplit           1
- acceleration/energy drift too large   5.17274241673191     
-   29.6883952022451       split increased to            2  itime      332829 
+ acceleration/energy drift too large   5.47426144025225     
+   36.0315271901256       split increased to            2  itime      276125 
   itsplit           1
-Velocities reset to random values, time            67999.80
- acceleration/energy drift too large   5.15213827178948     
-   16.2695456739890       split increased to            2  itime      344204 
+ acceleration/energy drift too large   3.50232950588160     
+   19.7353095226570       split increased to            2  itime      276304 
   itsplit           1
- acceleration/energy drift too large   4.07124029064840     
-   10.0726478693486       split increased to            2  itime      345745 
+ acceleration/energy drift too large   8.17273252379029     
+   22.0871395331734       split increased to            2  itime      276917 
   itsplit           1
- acceleration/energy drift too large   5.25616946588270     
-   16.5593491116070       split increased to            2  itime      346209 
+ acceleration/energy drift too large   2.69832241928415     
+   11.4024695909039       split increased to            2  itime      276920 
   itsplit           1
- acceleration/energy drift too large   4.52521476440034     
-   13.7603784691467       split increased to            2  itime      348191 
+ acceleration/energy drift too large   5.19830199417168     
+   19.2870506887228       split increased to            2  itime      278296 
   itsplit           1
- acceleration/energy drift too large   2.20397750980659     
-   14.2824377234908       split increased to            2  itime      348308 
+ acceleration/energy drift too large   4.06193721784993     
+   17.8967177753917       split increased to            2  itime      278400 
   itsplit           1
- acceleration/energy drift too large   4.58559572673012     
-   25.4467679743356       split increased to            2  itime      348309 
+ acceleration/energy drift too large   4.76262838690433     
+   16.8576361345615       split increased to            2  itime      279030 
   itsplit           1
- acceleration/energy drift too large   5.37796800293809     
-   14.7171658034760       split increased to            2  itime      348729 
+ acceleration/energy drift too large   6.32215556102713     
+   18.6070140960166       split increased to            2  itime      279400 
   itsplit           1
- acceleration/energy drift too large   6.96841188002727     
-   20.5603681985924       split increased to            2  itime      348803 
+Velocities reset to random values, time            55999.80
+ acceleration/energy drift too large   9.53183291554470     
+   38.8386245693009       split increased to            2  itime      280549 
   itsplit           1
- acceleration/energy drift too large   10.2087258449308     
-   55.4899463957382       split increased to            2  itime      348906 
+ acceleration/energy drift too large   6.25186221347915     
+   24.9729745449266       split increased to            2  itime      284519 
   itsplit           1
- acceleration/energy drift too large   2.48444312235286     
-   13.6864604356034       split increased to            4  itime      348906 
-  itsplit           2
-Velocities reset to random values, time            69999.80
- acceleration/energy drift too large   2.85042276529144     
-   14.8938570559057       split increased to            2  itime      354678 
+ acceleration/energy drift too large   3.65361022732287     
+   16.6195900592584       split increased to            2  itime      285728 
   itsplit           1
- acceleration/energy drift too large   6.18739217325295     
-   23.0015837792323       split increased to            2  itime      354876 
+ acceleration/energy drift too large   5.33403394746487     
+   26.1281201328799       split increased to            2  itime      285760 
   itsplit           1
- acceleration/energy drift too large   5.45728095297666     
-   14.8425785080493       split increased to            2  itime      355510 
+ acceleration/energy drift too large   2.62165596395872     
+   13.1436333511659       split increased to            2  itime      285761 
   itsplit           1
- acceleration/energy drift too large   3.25343752548132     
-   19.7451451873440       split increased to            2  itime      355527 
+ acceleration/energy drift too large   5.15436874113173     
+   11.9231750150784       split increased to            2  itime      285768 
   itsplit           1
- acceleration/energy drift too large   9.50833446953568     
-   46.3578058378884       split increased to            2  itime      356093 
+ acceleration/energy drift too large   7.16533442633403     
+   20.0645867637737       split increased to            2  itime      287397 
   itsplit           1
- acceleration/energy drift too large   3.83231910207820     
-   10.3744572450315       split increased to            2  itime      357966 
+ acceleration/energy drift too large   1.91625130967802     
+   11.5153196792092       split increased to            2  itime      287722 
   itsplit           1
- acceleration/energy drift too large   5.36318616680579     
-   25.8391892864297       split increased to            2  itime      358925 
+ acceleration/energy drift too large   8.82931554738403     
+   34.5773118577314       split increased to            2  itime      287851 
   itsplit           1
-Velocities reset to random values, time            71999.80
- acceleration/energy drift too large   2.90973210361151     
-   17.1476770308735       split increased to            2  itime      362329 
+ acceleration/energy drift too large   3.50626692461012     
+   11.9416730995477       split increased to            2  itime      287870 
   itsplit           1
- acceleration/energy drift too large   7.84096878915784     
-   28.2417052063377       split increased to            2  itime      362901 
+ acceleration/energy drift too large   5.24492781059974     
+   21.5243431484944       split increased to            2  itime      289264 
   itsplit           1
- acceleration/energy drift too large   4.65399675194030     
-   15.3778785409094       split increased to            2  itime      363831 
+Velocities reset to random values, time            57999.80
+ acceleration/energy drift too large   4.05468605190852     
+   10.8682178066819       split increased to            2  itime      290191 
   itsplit           1
- acceleration/energy drift too large   4.42167898696085     
-   11.6821277965135       split increased to            2  itime      364639 
+ acceleration/energy drift too large   9.29502144483686     
+   39.1096035695160       split increased to            2  itime      290298 
   itsplit           1
- acceleration/energy drift too large   5.58769738163232     
-   13.8114588181142       split increased to            2  itime      365283 
+ acceleration/energy drift too large   2.31173117760042     
+   12.0622389720738       split increased to            2  itime      290299 
   itsplit           1
- acceleration/energy drift too large   5.36183328656027     
-   24.7726051738871       split increased to            2  itime      365598 
+ acceleration/energy drift too large   3.54261923057887     
+   13.1195576565950       split increased to            2  itime      290506 
   itsplit           1
- acceleration/energy drift too large   7.76409936436296     
-   21.4255424312454       split increased to            2  itime      366491 
+ acceleration/energy drift too large   5.79536333255481     
+   23.5741534507117       split increased to            2  itime      292647 
   itsplit           1
- acceleration/energy drift too large   5.26867064214734     
-   13.7162739685569       split increased to            2  itime      367022 
+ acceleration/energy drift too large   5.99924730273468     
+   20.0698313414361       split increased to            2  itime      292718 
   itsplit           1
- acceleration/energy drift too large   6.44305467339040     
-   14.8511611437300       split increased to            2  itime      368324 
+ acceleration/energy drift too large   6.35924310780247     
+   16.2280087407269       split increased to            2  itime      292911 
   itsplit           1
-Velocities reset to random values, time            73999.80
- acceleration/energy drift too large   5.92956625141245     
-   43.0606284961055       split increased to            2  itime      372219 
+ acceleration/energy drift too large   5.82423666300645     
+   17.4629347582618       split increased to            2  itime      293751 
   itsplit           1
- acceleration/energy drift too large   5.52315712685407     
-   19.5387265522369       split increased to            2  itime      374563 
+ acceleration/energy drift too large   7.24553177111816     
+   32.5662412451276       split increased to            2  itime      294774 
   itsplit           1
- acceleration/energy drift too large   3.43899288073537     
-   11.7659324369125       split increased to            2  itime      375728 
+ acceleration/energy drift too large   6.36445641210212     
+   13.9138433683522       split increased to            2  itime      295849 
   itsplit           1
- acceleration/energy drift too large   4.84475825646286     
-   13.7764264719732       split increased to            2  itime      375734 
+ acceleration/energy drift too large   4.56658437011661     
+   14.1075785477974       split increased to            2  itime      296826 
   itsplit           1
- acceleration/energy drift too large   5.04884009027345     
-   20.8502560117513       split increased to            2  itime      377660 
+ acceleration/energy drift too large   4.54062199257411     
+   10.0371432287181       split increased to            2  itime      297975 
   itsplit           1
- acceleration/energy drift too large   3.19584780538516     
-   13.5310421768747       split increased to            2  itime      378505 
+ acceleration/energy drift too large   2.58573152638697     
+   10.5501840834612       split increased to            2  itime      298375 
   itsplit           1
- acceleration/energy drift too large   4.86305094892220     
-   14.6269658258019       split increased to            2  itime      379341 
+ acceleration/energy drift too large   11.5891608933544     
+   64.8807244383626       split increased to            2  itime      298484 
   itsplit           1
- acceleration/energy drift too large   4.94460215789803     
-   12.0931183043119       split increased to            2  itime      379428 
+ acceleration/energy drift too large   6.52639196492389     
+   15.5757699308264       split increased to            2  itime      298951 
   itsplit           1
-Velocities reset to random values, time            75999.80
- acceleration/energy drift too large   5.88913271427792     
-   16.3185944028214       split increased to            2  itime      380389 
+ acceleration/energy drift too large   7.79986462023410     
+   23.8326950552251       split increased to            2  itime      299991 
   itsplit           1
- acceleration/energy drift too large   5.65360772929155     
-   17.8954382079814       split increased to            2  itime      381485 
+Velocities reset to random values, time            59999.80
+ REMD synchro at      300000
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+ MIN ii_write=           1
+ REMD gather times=   122.675781250000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  3.906250000000000E-003
+ NREP          16
+ACC   1   250.00000     0.66667    3
+ACC   2   260.00000     0.00000    3
+ACC   3   270.00000     1.00000    3
+ACC   4   280.00000     0.33333    3
+ACC   5   290.00000     1.00000    3
+ACC   6   300.00000     1.00000    3
+ACC   7   310.00000     0.33333    3
+ACC   8   320.00000     0.66667    3
+ACC   9   330.00000     0.66667    3
+ACC  10   340.00000     0.66667    3
+ACC  11   350.00000     0.33333    3
+ACC  12   360.00000     1.00000    3
+ACC  13   370.00000     1.00000    3
+ACC  14   380.00000     1.00000    3
+ACC  15   390.00000     1.00000    3
+ REMD scatter time=  0.000000000000000E+000
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   6.07766675587740     
+   10.8241477766531       split increased to            2  itime      300133 
   itsplit           1
- acceleration/energy drift too large   5.09433865261189     
-   13.3427607674305       split increased to            2  itime      381962 
+ acceleration/energy drift too large   4.75846444841410     
+   14.5604650991464       split increased to            2  itime      303934 
   itsplit           1
- acceleration/energy drift too large   5.26599516519153     
-   14.1947085510483       split increased to            2  itime      382105 
+ acceleration/energy drift too large   5.22647671248841     
+   10.6215557321656       split increased to            2  itime      304175 
   itsplit           1
- acceleration/energy drift too large   4.27415700797396     
-   13.6537837615552       split increased to            2  itime      382808 
+ acceleration/energy drift too large   4.12123751922885     
+   10.4884747829284       split increased to            2  itime      304241 
   itsplit           1
- acceleration/energy drift too large   5.40570975007213     
-   14.5138206458984       split increased to            2  itime      383030 
+ acceleration/energy drift too large   3.44221399788850     
+   12.5272103618110       split increased to            2  itime      305570 
   itsplit           1
- acceleration/energy drift too large   4.51403786035482     
-   29.3042018229721       split increased to            2  itime      383323 
+ acceleration/energy drift too large   4.76812859718214     
+   11.9262480965619       split increased to            2  itime      306955 
   itsplit           1
- acceleration/energy drift too large   1.32865766422276     
-   13.1091147284460       split increased to            2  itime      383324 
+ acceleration/energy drift too large   4.05763667676570     
+   11.6018843772727       split increased to            2  itime      307011 
   itsplit           1
- acceleration/energy drift too large   7.16233616985799     
-   22.6467833861321       split increased to            2  itime      383440 
+ acceleration/energy drift too large   8.57919462477725     
+   33.3581529060793       split increased to            2  itime      307097 
   itsplit           1
- acceleration/energy drift too large   4.52262483069645     
-   12.3507725155107       split increased to            2  itime      388153 
+Velocities reset to random values, time            61999.80
+ acceleration/energy drift too large   6.92603373546451     
+   23.0425935316238       split increased to            2  itime      311284 
   itsplit           1
- acceleration/energy drift too large   3.66329581123763     
-   16.0333805023704       split increased to            2  itime      389074 
+ acceleration/energy drift too large   5.69419384421165     
+   10.6518772866196       split increased to            2  itime      311518 
   itsplit           1
-Velocities reset to random values, time            77999.80
- acceleration/energy drift too large   5.74824505189952     
-   12.9411508192371       split increased to            2  itime      390419 
+ acceleration/energy drift too large   4.36921418148261     
+   10.5453353318495       split increased to            2  itime      311609 
   itsplit           1
- acceleration/energy drift too large   2.47600976432689     
-   13.8687791291948       split increased to            2  itime      391173 
+ acceleration/energy drift too large   7.66272761309504     
+   27.8487547661130       split increased to            2  itime      312257 
   itsplit           1
- acceleration/energy drift too large   2.33220132956298     
-   12.4915751738750       split increased to            2  itime      391613 
+ acceleration/energy drift too large   2.63617479536375     
+   16.8144269054514       split increased to            2  itime      315902 
   itsplit           1
- acceleration/energy drift too large   2.28382221720213     
-   11.9157019923583       split increased to            2  itime      392040 
+ acceleration/energy drift too large   5.79319186200584     
+   10.1007897717378       split increased to            2  itime      316703 
   itsplit           1
- acceleration/energy drift too large   5.89903328416914     
-   13.3085683449634       split increased to            2  itime      393620 
+ acceleration/energy drift too large   5.27985600934854     
+   18.1388084599452       split increased to            2  itime      319001 
   itsplit           1
- acceleration/energy drift too large   5.20809103877739     
-   13.1947744000292       split increased to            2  itime      394001 
+ acceleration/energy drift too large   3.16937329679056     
+   24.1620605719490       split increased to            2  itime      319172 
   itsplit           1
- acceleration/energy drift too large   7.31882779213365     
-   17.3734689082338       split increased to            2  itime      394245 
+Velocities reset to random values, time            63999.80
+ acceleration/energy drift too large   3.79058375708654     
+   10.4544440528750       split increased to            2  itime      321177 
   itsplit           1
- acceleration/energy drift too large   2.29770061373230     
-   10.5221353308330       split increased to            2  itime      394931 
+ acceleration/energy drift too large   3.59098679493595     
+   12.6293077222021       split increased to            2  itime      325605 
   itsplit           1
- acceleration/energy drift too large   6.66221571906720     
-   19.2388256450955       split increased to            2  itime      397376 
+ acceleration/energy drift too large   4.83128899002368     
+   13.5463157451227       split increased to            2  itime      325964 
   itsplit           1
- acceleration/energy drift too large   5.06656286941232     
-   13.1441434892435       split increased to            2  itime      398362 
+ acceleration/energy drift too large   2.73760723337011     
+   14.6765139285750       split increased to            2  itime      326989 
   itsplit           1
- acceleration/energy drift too large   2.35865642825049     
-   15.2514475652846       split increased to            2  itime      398909 
+ acceleration/energy drift too large   3.44172973932176     
+   13.9426206532177       split increased to            2  itime      328675 
   itsplit           1
- acceleration/energy drift too large   3.10808383543609     
-   11.8705551801477       split increased to            2  itime      398993 
+ acceleration/energy drift too large   6.06097052407765     
+   14.8954531282660       split increased to            2  itime      329720 
   itsplit           1
- acceleration/energy drift too large   2.59118694266504     
-   14.7477344312607       split increased to            2  itime      399080 
+Velocities reset to random values, time            65999.80
+ acceleration/energy drift too large   5.11344591654875     
+   10.8060672290211       split increased to            2  itime      332612 
   itsplit           1
-Velocities reset to random values, time            79999.80
- REMD synchro at      400000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
- MIN ii_write=           1
- REMD gather times=   129.925781250000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
- NREP          16
-ACC   1   250.00000     0.50000    4
-ACC   2   260.00000     0.50000    4
-ACC   3   270.00000     0.25000    4
-ACC   4   280.00000     0.50000    4
-ACC   5   290.00000     0.50000    4
-ACC   6   300.00000     0.75000    4
-ACC   7   310.00000     0.75000    4
-ACC   8   320.00000     0.25000    4
-ACC   9   330.00000     0.50000    4
-ACC  10   340.00000     0.50000    4
-ACC  11   350.00000     0.75000    4
-ACC  12   360.00000     1.00000    4
-ACC  13   370.00000     1.00000    4
-ACC  14   380.00000     0.75000    4
-ACC  15   390.00000     1.00000    4
- REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   5.11061343451897     
-   12.6762882631184       split increased to            2  itime      401135 
+ acceleration/energy drift too large   3.42383979993469     
+   22.5718390049174       split increased to            2  itime      332634 
   itsplit           1
- acceleration/energy drift too large   3.30732311257863     
-   18.5484258103036       split increased to            2  itime      403015 
+ acceleration/energy drift too large   2.67433160861011     
+   13.6487718252882       split increased to            2  itime      333274 
   itsplit           1
- acceleration/energy drift too large   2.71752742304277     
-   13.0195883684556       split increased to            2  itime      403523 
+ acceleration/energy drift too large   5.23068412448105     
+   21.0344405516192       split increased to            2  itime      335082 
   itsplit           1
- acceleration/energy drift too large   6.33609205293826     
-   27.7659185130186       split increased to            2  itime      403836 
+ acceleration/energy drift too large   7.75048509436381     
+   27.2706652588561       split increased to            2  itime      338775 
   itsplit           1
- acceleration/energy drift too large   2.19948474320004     
-   10.5479060502446       split increased to            2  itime      404932 
+Velocities reset to random values, time            67999.80
+ acceleration/energy drift too large   4.19274336283247     
+   11.2992188723966       split increased to            2  itime      342384 
   itsplit           1
- acceleration/energy drift too large   6.46239265103868     
-   16.8963695502868       split increased to            2  itime      405389 
+Velocities reset to random values, time            69999.80
+ acceleration/energy drift too large   2.62179598425635     
+   16.2468969877411       split increased to            2  itime      351204 
   itsplit           1
- acceleration/energy drift too large   3.76078390863811     
-   10.3644593403161       split increased to            2  itime      405701 
+ acceleration/energy drift too large   4.40465975334449     
+   13.1137697025318       split increased to            2  itime      351240 
   itsplit           1
- acceleration/energy drift too large   4.28617695927949     
-   10.9699640550932       split increased to            2  itime      406213 
+ acceleration/energy drift too large   5.03507271155133     
+   10.4560271961448       split increased to            2  itime      351249 
   itsplit           1
- acceleration/energy drift too large   4.39013645566034     
-   19.8223488236473       split increased to            2  itime      406845 
+ acceleration/energy drift too large   4.86608746470851     
+   25.0922468819268       split increased to            2  itime      353281 
   itsplit           1
- acceleration/energy drift too large   8.66175598231922     
-   24.6498263090524       split increased to            2  itime      407678 
+ acceleration/energy drift too large   8.74985933109997     
+   34.9316148544256       split increased to            2  itime      356677 
   itsplit           1
- acceleration/energy drift too large   5.12977947609520     
-   11.7671156124732       split increased to            2  itime      409351 
+ acceleration/energy drift too large   3.56406207258775     
+   10.4752887031890       split increased to            2  itime      356989 
   itsplit           1
-Velocities reset to random values, time            81999.80
- acceleration/energy drift too large   6.22284630174127     
-   11.4025991035611       split increased to            2  itime      410687 
+ acceleration/energy drift too large   5.61153750176249     
+   18.0620612870272       split increased to            2  itime      358116 
   itsplit           1
- acceleration/energy drift too large   4.31085688679568     
-   12.3248449695206       split increased to            2  itime      411142 
+ acceleration/energy drift too large   4.43861446085209     
+   22.0272133050345       split increased to            2  itime      358147 
   itsplit           1
- acceleration/energy drift too large   2.33167803048749     
-   10.7509374705099       split increased to            2  itime      411882 
+ acceleration/energy drift too large   5.91201889244300     
+   15.3791076086729       split increased to            2  itime      358737 
   itsplit           1
- acceleration/energy drift too large   6.90011729083356     
-   18.8034345224998       split increased to            2  itime      412024 
+ acceleration/energy drift too large   3.97160701871715     
+   10.8784136909497       split increased to            2  itime      358848 
   itsplit           1
- acceleration/energy drift too large   2.63019483905697     
-   19.5851555203900       split increased to            2  itime      412504 
+Velocities reset to random values, time            71999.80
+ acceleration/energy drift too large   4.76083594317882     
+   12.0414034238304       split increased to            2  itime      361313 
   itsplit           1
- acceleration/energy drift too large   4.85532308943637     
-   12.0182830630077       split increased to            2  itime      413316 
+ acceleration/energy drift too large   5.37586761620795     
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   itsplit           1
- acceleration/energy drift too large   4.29246354871446     
-   11.8856067831948       split increased to            2  itime      413931 
+ acceleration/energy drift too large   6.22744230012241     
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   itsplit           1
- acceleration/energy drift too large   4.53840861400948     
-   17.1238981723967       split increased to            2  itime      414035 
+ acceleration/energy drift too large   5.37849423933318     
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   itsplit           1
- acceleration/energy drift too large   5.84783872870902     
-   19.5279803825499       split increased to            2  itime      414164 
+ acceleration/energy drift too large   5.15684759541444     
+   16.8220738832904       split increased to            2  itime      365749 
   itsplit           1
- acceleration/energy drift too large   4.82099367727505     
-   25.1276989894918       split increased to            2  itime      415060 
+ acceleration/energy drift too large   6.58153491584516     
+   23.5751270385877       split increased to            2  itime      366549 
   itsplit           1
- acceleration/energy drift too large   2.33431852584656     
-   16.8733285222135       split increased to            2  itime      416187 
+ acceleration/energy drift too large   1.88564641261838     
+   16.5285514906273       split increased to            2  itime      366550 
   itsplit           1
- acceleration/energy drift too large   6.46353480170789     
-   19.7644890852479       split increased to            2  itime      417008 
+Velocities reset to random values, time            73999.80
+ acceleration/energy drift too large   6.42819413746919     
+   19.2022623719648       split increased to            2  itime      370308 
   itsplit           1
- acceleration/energy drift too large   4.51326910594791     
-   17.0610980702080       split increased to            2  itime      417355 
+ acceleration/energy drift too large   7.68849979005426     
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   itsplit           1
- acceleration/energy drift too large   5.40434312564802     
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+ acceleration/energy drift too large   6.64359258953225     
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   itsplit           1
- acceleration/energy drift too large   6.10329002472998     
-   14.1290122828212       split increased to            2  itime      419516 
+ acceleration/energy drift too large   5.36387204093286     
+   24.1448352998582       split increased to            2  itime      374632 
   itsplit           1
-Velocities reset to random values, time            83999.80
- acceleration/energy drift too large   4.31973832865928     
-   17.8004480483302       split increased to            2  itime      420284 
+ acceleration/energy drift too large   3.67087598742650     
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   itsplit           1
- acceleration/energy drift too large   5.45537840621313     
-   19.6062506444591       split increased to            2  itime      421590 
+ acceleration/energy drift too large   11.1226298201210     
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   itsplit           1
- acceleration/energy drift too large   8.54726150153755     
-   32.5371884312401       split increased to            2  itime      421974 
+ acceleration/energy drift too large   1.89087148150809     
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   itsplit           1
- acceleration/energy drift too large   6.08987013233523     
-   12.5654017126875       split increased to            2  itime      422063 
+Velocities reset to random values, time            75999.80
+ acceleration/energy drift too large   8.98850266681585     
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   itsplit           1
- acceleration/energy drift too large   3.88492805905722     
-   15.8024635337514       split increased to            2  itime      422920 
+ acceleration/energy drift too large   2.06816876996664     
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   itsplit           1
- acceleration/energy drift too large   5.10437571940544     
-   25.0579057698207       split increased to            2  itime      424792 
+ acceleration/energy drift too large   9.60567614855503     
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   itsplit           1
- acceleration/energy drift too large   7.03032558836901     
-   22.3036698948097       split increased to            2  itime      425588 
+ acceleration/energy drift too large   2.39090374777370     
+   17.0632962590724       split increased to            2  itime      380837 
   itsplit           1
- acceleration/energy drift too large   4.90739065440440     
-   10.4721867156118       split increased to            2  itime      426238 
+ acceleration/energy drift too large   3.29853904398010     
+   20.5214337491257       split increased to            2  itime      383563 
   itsplit           1
- acceleration/energy drift too large   6.52602620730483     
-   14.8909415052468       split increased to            2  itime      426728 
+ acceleration/energy drift too large   4.73880464773287     
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   itsplit           1
- acceleration/energy drift too large   5.98175407128341     
-   20.5144724858188       split increased to            2  itime      427133 
+ acceleration/energy drift too large   7.29111174454555     
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   itsplit           1
- acceleration/energy drift too large   5.10307921162576     
-   16.1999087201499       split increased to            2  itime      429274 
+ acceleration/energy drift too large   6.56997907179818     
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   itsplit           1
- acceleration/energy drift too large   4.68771747446478     
-   10.6026381069787       split increased to            2  itime      429725 
+ acceleration/energy drift too large   2.70981536196542     
+   12.3358659913794       split increased to            2  itime      386253 
   itsplit           1
-Velocities reset to random values, time            85999.80
- acceleration/energy drift too large   12.6960614236824     
-   49.1823031344523       split increased to            2  itime      430292 
+ acceleration/energy drift too large   2.32102484710323     
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   itsplit           1
- acceleration/energy drift too large   3.60707722689840     
-   10.3837817025541       split increased to            2  itime      430371 
+ acceleration/energy drift too large   2.66021524061225     
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   itsplit           1
- acceleration/energy drift too large   3.25830209541275     
-   13.2600823276660       split increased to            2  itime      431345 
+ acceleration/energy drift too large   4.15397784121815     
+   12.3232270734992       split increased to            2  itime      388801 
   itsplit           1
- acceleration/energy drift too large   3.39585701881609     
-   10.5475027294959       split increased to            2  itime      431840 
+ acceleration/energy drift too large   4.75798586317919     
+   17.2318019328056       split increased to            2  itime      389015 
   itsplit           1
- acceleration/energy drift too large   8.39217844762826     
-   35.0116353388863       split increased to            2  itime      433658 
+ acceleration/energy drift too large   3.48376008575851     
+   27.0920657733166       split increased to            2  itime      389071 
   itsplit           1
- acceleration/energy drift too large   4.01791306725080     
-   18.2215087917765       split increased to            2  itime      433659 
+Velocities reset to random values, time            77999.80
+ acceleration/energy drift too large   9.34132822233123     
+   14.1299459352593       split increased to            2  itime      393325 
   itsplit           1
- acceleration/energy drift too large   5.34092845799762     
-   23.5124086621844       split increased to            2  itime      433880 
+ acceleration/energy drift too large   3.53975057094461     
+   29.3105358293453       split increased to            2  itime      397100 
   itsplit           1
- acceleration/energy drift too large   3.92402082131598     
-   10.2127482571078       split increased to            2  itime      435523 
+ acceleration/energy drift too large   10.0049920273749     
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   itsplit           1
- acceleration/energy drift too large   5.38937790628387     
-   14.9119444104233       split increased to            2  itime      435759 
+ acceleration/energy drift too large   2.54711262704641     
+   12.6910927337916       split increased to            4  itime      399388 
+  itsplit           2
+ acceleration/energy drift too large   5.46262086552822     
+   17.9983230473407       split increased to            2  itime      399797 
   itsplit           1
- acceleration/energy drift too large   4.42427788308877     
-   20.7268692385256       split increased to            2  itime      436040 
+Velocities reset to random values, time            79999.80
+ REMD synchro at      400000
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+ MIN ii_write=           1
+ REMD gather times=   164.062500000000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
+ NREP          16
+ACC   1   250.00000     0.75000    4
+ACC   2   260.00000     0.00000    4
+ACC   3   270.00000     0.75000    4
+ACC   4   280.00000     0.25000    4
+ACC   5   290.00000     1.00000    4
+ACC   6   300.00000     0.75000    4
+ACC   7   310.00000     0.50000    4
+ACC   8   320.00000     0.50000    4
+ACC   9   330.00000     0.75000    4
+ACC  10   340.00000     0.75000    4
+ACC  11   350.00000     0.50000    4
+ACC  12   360.00000     1.00000    4
+ACC  13   370.00000     0.75000    4
+ACC  14   380.00000     1.00000    4
+ACC  15   390.00000     1.00000    4
+ REMD scatter time=  0.000000000000000E+000
+ REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   5.71207132172949     
+   12.9463594619800       split increased to            2  itime      400099 
   itsplit           1
- acceleration/energy drift too large   4.82817887745515     
-   13.8918218665531       split increased to            2  itime      437558 
+ acceleration/energy drift too large   8.34850791190807     
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   itsplit           1
- acceleration/energy drift too large   4.90300010811251     
-   27.3609081366820       split increased to            2  itime      438594 
+ acceleration/energy drift too large   5.19373752054904     
+   15.6040608505331       split increased to            2  itime      403881 
   itsplit           1
-Velocities reset to random values, time            87999.80
- acceleration/energy drift too large   5.28670832167430     
-   12.2281201077977       split increased to            2  itime      441931 
+ acceleration/energy drift too large   7.46832581423188     
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   itsplit           1
- acceleration/energy drift too large   6.49591111748349     
-   11.9031252741567       split increased to            2  itime      442533 
+ acceleration/energy drift too large   5.46596215770641     
+   10.3789247750593       split increased to            2  itime      405288 
   itsplit           1
- acceleration/energy drift too large   6.25475058386385     
-   25.6151934481788       split increased to            2  itime      444106 
+ acceleration/energy drift too large   2.38438004043562     
+   10.2868368387867       split increased to            2  itime      405927 
   itsplit           1
- acceleration/energy drift too large   4.52592848420134     
-   13.2140037342282       split increased to            2  itime      445550 
+ acceleration/energy drift too large   7.03732193903913     
+   18.2129980711924       split increased to            2  itime      407200 
   itsplit           1
- acceleration/energy drift too large   6.07212996310294     
-   14.6781192246878       split increased to            2  itime      445676 
+Velocities reset to random values, time            81999.80
+ acceleration/energy drift too large   5.03153305452181     
+   21.4339115048159       split increased to            2  itime      410151 
   itsplit           1
- acceleration/energy drift too large   2.80512745936832     
-   11.5060826542009       split increased to            2  itime      447651 
+ acceleration/energy drift too large   3.75853376985387     
+   14.5703104070751       split increased to            2  itime      411244 
   itsplit           1
- acceleration/energy drift too large   6.24756002209494     
-   23.5621147825419       split increased to            2  itime      447694 
+ acceleration/energy drift too large   6.02099667872600     
+   19.0143764076154       split increased to            2  itime      413063 
   itsplit           1
- acceleration/energy drift too large   4.15861406700537     
-   16.3987321864479       split increased to            2  itime      448009 
+ acceleration/energy drift too large   5.86298045495196     
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   itsplit           1
- acceleration/energy drift too large   5.20226235832301     
-   10.7247053817557       split increased to            2  itime      448548 
+ acceleration/energy drift too large   5.14258718020759     
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   itsplit           1
- acceleration/energy drift too large   4.85383700477519     
-   13.0233505650366       split increased to            2  itime      449279 
+ acceleration/energy drift too large   6.22110687087945     
+   10.2035958611021       split increased to            2  itime      417248 
   itsplit           1
-Velocities reset to random values, time            89999.80
- acceleration/energy drift too large   3.51797917116977     
-   10.8955375010004       split increased to            2  itime      451736 
+ acceleration/energy drift too large   3.09918909289270     
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   itsplit           1
- acceleration/energy drift too large   5.65226369635506     
-   10.3299455197518       split increased to            2  itime      451863 
+ acceleration/energy drift too large   1.50679512475557     
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   itsplit           1
- acceleration/energy drift too large   2.15100576006334     
-   10.8596467679583       split increased to            2  itime      452671 
+ acceleration/energy drift too large   6.70250994097654     
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   itsplit           1
- acceleration/energy drift too large   6.12885156720130     
-   15.9790310236215       split increased to            2  itime      454665 
+Velocities reset to random values, time            83999.80
+ acceleration/energy drift too large   4.22194690913700     
+   13.8332714924942       split increased to            2  itime      423520 
   itsplit           1
- acceleration/energy drift too large   2.39374156646898     
-   14.2501891512812       split increased to            2  itime      455404 
+ acceleration/energy drift too large   5.82232540138945     
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   itsplit           1
- acceleration/energy drift too large   6.27439286786460     
-   10.9750959098752       split increased to            2  itime      455750 
+ acceleration/energy drift too large   3.99607050498344     
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   itsplit           1
- acceleration/energy drift too large   4.12817220451532     
-   12.4544838359192       split increased to            2  itime      456506 
+ acceleration/energy drift too large   4.91701955234869     
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   itsplit           1
- acceleration/energy drift too large   2.18053048961733     
-   12.0130069851409       split increased to            2  itime      458158 
+ acceleration/energy drift too large   4.25128758035625     
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   itsplit           1
- acceleration/energy drift too large   9.87629172788394     
-   44.6582593158087       split increased to            2  itime      458219 
+ acceleration/energy drift too large   3.71294185839611     
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   itsplit           1
- acceleration/energy drift too large   3.47319198122790     
-   13.2534964334002       split increased to            2  itime      458252 
+Velocities reset to random values, time            85999.80
+ acceleration/energy drift too large   2.96462232888096     
+   10.0834846412296       split increased to            2  itime      430253 
   itsplit           1
-Velocities reset to random values, time            91999.80
- acceleration/energy drift too large   7.02423900924881     
-   21.5527013430013       split increased to            2  itime      460378 
+ acceleration/energy drift too large   5.59487437996206     
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   itsplit           1
- acceleration/energy drift too large   4.71945508631981     
-   14.2496205191637       split increased to            2  itime      462266 
+ acceleration/energy drift too large   5.13294587815154     
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   itsplit           1
- acceleration/energy drift too large   4.54705245447910     
-   10.9172622606431       split increased to            2  itime      463862 
+ acceleration/energy drift too large   5.29659024530973     
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   itsplit           1
- acceleration/energy drift too large   5.78703756262989     
-   11.3302491782032       split increased to            2  itime      465475 
+ acceleration/energy drift too large   3.00501816602540     
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   itsplit           1
- acceleration/energy drift too large   3.89063033770301     
-   14.4233856777009       split increased to            2  itime      466792 
+ acceleration/energy drift too large   3.73365910015374     
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   itsplit           1
- acceleration/energy drift too large   3.99688747537146     
-   14.9878089882256       split increased to            2  itime      467626 
+ acceleration/energy drift too large   4.32293666268891     
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   itsplit           1
- acceleration/energy drift too large   4.32413291563623     
-   10.1718861498166       split increased to            2  itime      468236 
+ acceleration/energy drift too large   6.52465870186193     
+   29.9768949391426       split increased to            2  itime      434694 
   itsplit           1
- acceleration/energy drift too large   3.98509021323454     
-   11.7826777728994       split increased to            2  itime      468389 
+ acceleration/energy drift too large   5.37484028193743     
+   14.7511999134078       split increased to            2  itime      435178 
   itsplit           1
- acceleration/energy drift too large   10.1464104273359     
-   48.7681491536489       split increased to            2  itime      468918 
+ acceleration/energy drift too large   4.07129818583356     
+   13.8266906513137       split increased to            2  itime      436408 
   itsplit           1
-Velocities reset to random values, time            93999.80
- acceleration/energy drift too large   4.86613936943603     
-   18.3132804898443       split increased to            2  itime      470376 
+ acceleration/energy drift too large   5.30288671343334     
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   itsplit           1
- acceleration/energy drift too large   3.98714623316026     
-   11.0698303331868       split increased to            2  itime      470908 
+ acceleration/energy drift too large   3.61185926503092     
+   11.4760999284788       split increased to            2  itime      437348 
   itsplit           1
- acceleration/energy drift too large   6.62831604728312     
-   36.4805471348338       split increased to            2  itime      471810 
+ acceleration/energy drift too large   7.09496473299269     
+   22.1762007359791       split increased to            2  itime      437960 
   itsplit           1
- acceleration/energy drift too large   4.60853781155378     
-   22.9066776441411       split increased to            2  itime      472259 
+ acceleration/energy drift too large   3.36766165064590     
+   13.1774297629055       split increased to            2  itime      439688 
   itsplit           1
- acceleration/energy drift too large   3.49590535846335     
-   10.4338408307509       split increased to            2  itime      472456 
+Velocities reset to random values, time            87999.80
+ acceleration/energy drift too large   6.00287588822552     
+   25.4985104983943       split increased to            2  itime      440793 
   itsplit           1
- acceleration/energy drift too large   2.34004076744622     
-   15.9758696476486       split increased to            2  itime      473520 
+ acceleration/energy drift too large   6.89476470137271     
+   19.3185433577334       split increased to            2  itime      440802 
   itsplit           1
- acceleration/energy drift too large   5.06863230167286     
-   11.4729369685476       split increased to            2  itime      473986 
+ acceleration/energy drift too large   4.84382504494316     
+   25.1129951350233       split increased to            2  itime      440829 
   itsplit           1
- acceleration/energy drift too large   9.40053480341076     
-   25.8170022706007       split increased to            2  itime      478842 
+ acceleration/energy drift too large   3.98818766405409     
+   19.1643710214830       split increased to            2  itime      441861 
   itsplit           1
-Velocities reset to random values, time            95999.80
- acceleration/energy drift too large   4.17974382314440     
-   15.1054815276154       split increased to            2  itime      480873 
+ acceleration/energy drift too large   4.31561243948357     
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   itsplit           1
- acceleration/energy drift too large   4.28547242828707     
-   23.8327738570182       split increased to            2  itime      480981 
+ acceleration/energy drift too large   7.75629182316262     
+   30.6715202558308       split increased to            2  itime      443145 
   itsplit           1
- acceleration/energy drift too large   4.41730348729905     
-   12.8143764568801       split increased to            2  itime      481744 
+ acceleration/energy drift too large   8.10905156776023     
+   31.7586078839683       split increased to            2  itime      443526 
   itsplit           1
- acceleration/energy drift too large   2.29803000183096     
-   11.5941071493627       split increased to            2  itime      485037 
+ acceleration/energy drift too large   5.61722516667647     
+   18.4211097751804       split increased to            2  itime      443804 
   itsplit           1
- acceleration/energy drift too large   4.90596696578139     
-   15.1846360911404       split increased to            2  itime      485666 
+ acceleration/energy drift too large   2.98849428189056     
+   11.7024416616717       split increased to            2  itime      445676 
   itsplit           1
- acceleration/energy drift too large   5.63749678716790     
-   19.6654681429800       split increased to            2  itime      486479 
+ acceleration/energy drift too large   4.60323295168567     
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   itsplit           1
- acceleration/energy drift too large   8.43706781127981     
-   23.7723606001725       split increased to            2  itime      487014 
+ acceleration/energy drift too large   2.00135401562538     
+   10.1340731634422       split increased to            2  itime      445967 
   itsplit           1
- acceleration/energy drift too large   7.66545458724698     
-   17.0248186037216       split increased to            2  itime      488881 
+ acceleration/energy drift too large   6.79474589439384     
+   22.2844299570468       split increased to            2  itime      446222 
   itsplit           1
-Velocities reset to random values, time            97999.80
- acceleration/energy drift too large   4.31780779411841     
-   15.0031465249818       split increased to            2  itime      493900 
+ acceleration/energy drift too large   6.05841335495080     
+   22.7832718425835       split increased to            2  itime      447086 
   itsplit           1
- acceleration/energy drift too large   4.21032311619180     
-   12.1958796697122       split increased to            2  itime      493947 
+ acceleration/energy drift too large   5.47025757241198     
+   21.1806063967866       split increased to            2  itime      447413 
   itsplit           1
- acceleration/energy drift too large   4.79088892698944     
-   14.7868572050007       split increased to            2  itime      494400 
+ acceleration/energy drift too large   6.28227899298396     
+   17.4067619201100       split increased to            2  itime      447775 
   itsplit           1
- acceleration/energy drift too large   3.62481815209525     
-   10.6418292867908       split increased to            2  itime      495518 
+ acceleration/energy drift too large   2.58664406879878     
+   19.3284809823980       split increased to            2  itime      449608 
   itsplit           1
- acceleration/energy drift too large   10.5780597457274     
-   54.8082107813631       split increased to            2  itime      496098 
+Velocities reset to random values, time            89999.80
+ acceleration/energy drift too large   5.20953815531127     
+   18.6396952186743       split increased to            2  itime      450890 
   itsplit           1
- acceleration/energy drift too large   2.43518761761194     
-   12.3266628353730       split increased to            2  itime      496806 
+ acceleration/energy drift too large   3.32712756977863     
+   12.1814485829973       split increased to            2  itime      452449 
   itsplit           1
-Velocities reset to random values, time            99999.80
- REMD synchro at      500000
-         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
- MIN ii_write=           1
- REMD gather times=   162.593750000000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
- NREP          16
-ACC   1   250.00000     0.40000    5
-ACC   2   260.00000     0.40000    5
-ACC   3   270.00000     0.20000    5
-ACC   4   280.00000     0.60000    5
-ACC   5   290.00000     0.40000    5
-ACC   6   300.00000     0.80000    5
-ACC   7   310.00000     0.80000    5
-ACC   8   320.00000     0.40000    5
-ACC   9   330.00000     0.40000    5
-ACC  10   340.00000     0.60000    5
-ACC  11   350.00000     0.80000    5
-ACC  12   360.00000     1.00000    5
-ACC  13   370.00000     1.00000    5
-ACC  14   380.00000     0.80000    5
-ACC  15   390.00000     1.00000    5
- REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   7.15090197406555     
-   14.0645720430171       split increased to            2  itime      501736 
+ acceleration/energy drift too large   4.69457675801215     
+   11.0673247789955       split increased to            2  itime      452609 
   itsplit           1
- acceleration/energy drift too large   3.58024087776764     
-   10.0464644268008       split increased to            2  itime      502924 
+ acceleration/energy drift too large   4.20155102300153     
+   25.4388516898503       split increased to            2  itime      453514 
   itsplit           1
- acceleration/energy drift too large   7.65617221324492     
-   22.8151985448608       split increased to            2  itime      505020 
+ acceleration/energy drift too large   7.58441117674498     
+   26.9112795896092       split increased to            2  itime      455123 
   itsplit           1
- acceleration/energy drift too large   4.36782292575687     
-   10.8270829292355       split increased to            2  itime      506199 
+ acceleration/energy drift too large   6.67456474609787     
+   14.6651365023740       split increased to            2  itime      456098 
   itsplit           1
- acceleration/energy drift too large   3.27854208757455     
-   11.8549107657839       split increased to            2  itime      506365 
+ acceleration/energy drift too large   6.68289405989964     
+   11.6684158997720       split increased to            2  itime      456842 
   itsplit           1
- acceleration/energy drift too large   7.47767649023221     
-   19.5100383710146       split increased to            2  itime      506539 
+ acceleration/energy drift too large   4.33883048944411     
+   12.6286251816921       split increased to            2  itime      457257 
   itsplit           1
- acceleration/energy drift too large   2.64689822516528     
-   10.0704019912687       split increased to            2  itime      506750 
+ acceleration/energy drift too large   4.13463669355379     
+   10.9748535478564       split increased to            2  itime      457280 
   itsplit           1
- acceleration/energy drift too large   4.49944382750580     
-   14.4739559078128       split increased to            2  itime      508498 
+ acceleration/energy drift too large   3.43849825159746     
+   12.8110401398300       split increased to            2  itime      457621 
   itsplit           1
- acceleration/energy drift too large   6.15888973930567     
-   19.3377744191351       split increased to            2  itime      509360 
+ acceleration/energy drift too large   3.62053743236681     
+   15.6078027805415       split increased to            2  itime      459207 
   itsplit           1
- acceleration/energy drift too large   2.77784289725985     
-   14.1436420983081       split increased to            2  itime      509561 
+ acceleration/energy drift too large   5.25937279029496     
+   34.4016809009295       split increased to            2  itime      459934 
   itsplit           1
- acceleration/energy drift too large   3.99007158454701     
-   11.9182554245637       split increased to            2  itime      509577 
+Velocities reset to random values, time            91999.80
+ acceleration/energy drift too large   5.12353780297772     
+   36.8983886338051       split increased to            2  itime      460113 
   itsplit           1
- acceleration/energy drift too large   5.74501099449596     
-   11.6901196601102       split increased to            2  itime      509735 
+ acceleration/energy drift too large   6.80772422237991     
+   26.2283834026153       split increased to            2  itime      462999 
   itsplit           1
- acceleration/energy drift too large   5.88040936301462     
-   11.6573588186665       split increased to            2  itime      509802 
+ acceleration/energy drift too large   2.77741493051902     
+   10.1092428033650       split increased to            2  itime      463566 
   itsplit           1
- acceleration/energy drift too large   6.26011408290629     
-   13.7386167556546       split increased to            2  itime      509874 
+ acceleration/energy drift too large   5.24187751196089     
+   11.8194547437371       split increased to            2  itime      463576 
   itsplit           1
-Velocities reset to random values, time           101999.80
- acceleration/energy drift too large   4.21125761457524     
-   12.1983952189330       split increased to            2  itime      518342 
+ acceleration/energy drift too large   4.01428360568487     
+   13.8739675118642       split increased to            2  itime      464141 
   itsplit           1
-Velocities reset to random values, time           103999.80
- acceleration/energy drift too large   3.61072431946663     
-   13.9585517990033       split increased to            2  itime      520671 
+ acceleration/energy drift too large   5.69419784607206     
+   38.3764478752122       split increased to            2  itime      465976 
   itsplit           1
- acceleration/energy drift too large   3.65496522276421     
-   18.9283304896629       split increased to            2  itime      521009 
+ acceleration/energy drift too large   13.2042929316216     
+   58.6271951177432       split increased to            2  itime      466636 
   itsplit           1
- acceleration/energy drift too large   1.41738129376700     
-   10.3398661922129       split increased to            2  itime      523905 
+ acceleration/energy drift too large   2.63567633549479     
+   11.6403508601015       split increased to            2  itime      467472 
   itsplit           1
- acceleration/energy drift too large   6.48253235903706     
-   16.3191661155539       split increased to            2  itime      525276 
+Velocities reset to random values, time            93999.80
+ acceleration/energy drift too large   5.10546285865149     
+   16.4005552628492       split increased to            2  itime      472599 
   itsplit           1
- acceleration/energy drift too large   3.43333478825362     
-   10.8020506014827       split increased to            2  itime      526002 
+ acceleration/energy drift too large   5.75447062513305     
+   20.8641855559396       split increased to            2  itime      475800 
   itsplit           1
- acceleration/energy drift too large   4.41089903756250     
-   11.4984319793774       split increased to            2  itime      527200 
+ acceleration/energy drift too large   3.74766873335163     
+   11.7735913214451       split increased to            2  itime      478245 
   itsplit           1
- acceleration/energy drift too large   5.33393294222631     
-   31.6717702287395       split increased to            2  itime      527297 
+ acceleration/energy drift too large   8.06562039215200     
+   23.3925671940576       split increased to            2  itime      478525 
   itsplit           1
- acceleration/energy drift too large   4.26370786243276     
-   21.2369359082720       split increased to            2  itime      528303 
+Velocities reset to random values, time            95999.80
+ acceleration/energy drift too large   6.84343729725816     
+   32.9079266535098       split increased to            2  itime      481310 
   itsplit           1
-Velocities reset to random values, time           105999.80
- acceleration/energy drift too large   6.31675814665906     
-   20.7008860997452       split increased to            2  itime      531317 
+ acceleration/energy drift too large   9.17581477500274     
+   41.0853030940486       split increased to            2  itime      482963 
   itsplit           1
- acceleration/energy drift too large   4.10085352194936     
-   13.9638540550746       split increased to            2  itime      532031 
+ acceleration/energy drift too large   6.28070625966611     
+   17.7302519675813       split increased to            2  itime      483046 
   itsplit           1
- acceleration/energy drift too large   8.12110006401335     
-   14.9060491176364       split increased to            2  itime      532506 
+ acceleration/energy drift too large   4.21710733803607     
+   18.4115697520822       split increased to            2  itime      485275 
   itsplit           1
- acceleration/energy drift too large   5.26138837806396     
-   12.9617736032603       split increased to            2  itime      532938 
+ acceleration/energy drift too large   4.80342092214674     
+   16.0980679382606       split increased to            2  itime      487662 
   itsplit           1
- acceleration/energy drift too large   6.34915258620975     
-   27.0294550968473       split increased to            2  itime      533537 
+ acceleration/energy drift too large   4.32570920881215     
+   10.4742493037187       split increased to            2  itime      488983 
   itsplit           1
- acceleration/energy drift too large   5.39843812694689     
-   32.0670035331437       split increased to            2  itime      533851 
+ acceleration/energy drift too large   6.12506048028423     
+   20.7106424959836       split increased to            2  itime      489936 
   itsplit           1
- acceleration/energy drift too large   8.43388808958597     
-   31.0332982252897       split increased to            2  itime      535975 
+Velocities reset to random values, time            97999.80
+ acceleration/energy drift too large   8.44801155346415     
+   34.2112031501455       split increased to            2  itime      490094 
   itsplit           1
- acceleration/energy drift too large   3.98664727400218     
-   12.8690286732409       split increased to            2  itime      536047 
+ acceleration/energy drift too large   5.29713693828657     
+   12.9308979369603       split increased to            2  itime      494036 
   itsplit           1
- acceleration/energy drift too large   5.65886765195689     
-   15.0566216784200       split increased to            2  itime      536450 
+ acceleration/energy drift too large   3.40748426011928     
+   13.6193321782272       split increased to            2  itime      494332 
   itsplit           1
- acceleration/energy drift too large   3.43991802845328     
-   16.2062307664002       split increased to            2  itime      536552 
+ acceleration/energy drift too large   5.10659605191796     
+   12.7078219685672       split increased to            2  itime      496332 
   itsplit           1
- acceleration/energy drift too large   5.01547110121234     
-   15.1667229493659       split increased to            2  itime      539720 
+ acceleration/energy drift too large   5.15881023967515     
+   10.2174486428275       split increased to            2  itime      497933 
   itsplit           1
-Velocities reset to random values, time           107999.80
- acceleration/energy drift too large   7.87448028222108     
-   27.3989366754223       split increased to            2  itime      540471 
+ acceleration/energy drift too large   3.30927059995153     
+   11.2460850499674       split increased to            2  itime      498076 
   itsplit           1
- acceleration/energy drift too large   5.77902010974629     
-   11.9748763076863       split increased to            2  itime      541051 
+ acceleration/energy drift too large   2.55086427188497     
+   14.8923659481319       split increased to            2  itime      498133 
   itsplit           1
- acceleration/energy drift too large   5.33699347798072     
-   13.9892075498337       split increased to            2  itime      541208 
+ acceleration/energy drift too large   3.51134911349549     
+   10.9459869404619       split increased to            2  itime      498326 
   itsplit           1
- acceleration/energy drift too large   9.38682500375998     
-   31.9222899071623       split increased to            2  itime      544767 
+ acceleration/energy drift too large   8.79102005154873     
+   20.9653351508991       split increased to            2  itime      498933 
   itsplit           1
- acceleration/energy drift too large   3.63209847135860     
-   11.1359345510231       split increased to            2  itime      546355 
+Velocities reset to random values, time            99999.80
+ REMD synchro at      500000
+         ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
+ MIN ii_write=           1
+ REMD gather times=   205.101562500000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
+ NREP          16
+ACC   1   250.00000     0.80000    5
+ACC   2   260.00000     0.00000    5
+ACC   3   270.00000     0.80000    5
+ACC   4   280.00000     0.40000    5
+ACC   5   290.00000     0.80000    5
+ACC   6   300.00000     0.60000    5
+ACC   7   310.00000     0.60000    5
+ACC   8   320.00000     0.60000    5
+ACC   9   330.00000     0.60000    5
+ACC  10   340.00000     0.80000    5
+ACC  11   350.00000     0.60000    5
+ACC  12   360.00000     1.00000    5
+ACC  13   370.00000     0.80000    5
+ACC  14   380.00000     1.00000    5
+ACC  15   390.00000     1.00000    5
+ REMD scatter time=  0.000000000000000E+000
+ REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   8.32256653578622     
+   34.6181709004767       split increased to            2  itime      500413 
   itsplit           1
- acceleration/energy drift too large   7.35214171932488     
-   23.1829772959672       split increased to            2  itime      546405 
+ acceleration/energy drift too large   2.82305846646002     
+   21.4499384719614       split increased to            2  itime      502501 
   itsplit           1
- acceleration/energy drift too large   2.62828269325847     
-   13.1883616551442       split increased to            4  itime      546405 
+ acceleration/energy drift too large   4.30266502961531     
+   30.1477348065987       split increased to            2  itime      504960 
   itsplit           1
- acceleration/energy drift too large   7.93893383040352     
-   26.4213327538757       split increased to            2  itime      548348 
+Velocities reset to random values, time           101999.80
+ acceleration/energy drift too large   3.64222416352689     
+   11.4110799135266       split increased to            2  itime      510653 
   itsplit           1
- acceleration/energy drift too large   5.92571275280044     
-   10.8901953566925       split increased to            2  itime      548349 
+ acceleration/energy drift too large   4.61414259403940     
+   10.9733112610136       split increased to            2  itime      514159 
   itsplit           1
- acceleration/energy drift too large   7.83055542072847     
-   17.6110503066646       split increased to            2  itime      548782 
+ acceleration/energy drift too large   5.97565686882792     
+   25.9069867717770       split increased to            2  itime      516855 
   itsplit           1
- acceleration/energy drift too large   4.79160474831111     
-   10.1288108532966       split increased to            2  itime      549821 
+Velocities reset to random values, time           103999.80
+ acceleration/energy drift too large   4.01640846294708     
+   11.7117082466496       split increased to            2  itime      521660 
   itsplit           1
-Velocities reset to random values, time           109999.80
- acceleration/energy drift too large   12.3862301115242     
-   70.0068520721199       split increased to            2  itime      552933 
+Velocities reset to random values, time           105999.80
+ acceleration/energy drift too large   2.91066343325500     
+   18.5242751047258       split increased to            2  itime      532895 
   itsplit           1
- acceleration/energy drift too large   7.07204517663503     
-   33.2502250959477       split increased to            2  itime      553121 
+ acceleration/energy drift too large   4.73136076427247     
+   11.4004636651319       split increased to            2  itime      534289 
   itsplit           1
- acceleration/energy drift too large   2.67288482498129     
-   18.1086121852243       split increased to            2  itime      555413 
+ acceleration/energy drift too large   4.02742079827788     
+   12.3340182529647       split increased to            2  itime      535238 
   itsplit           1
- acceleration/energy drift too large   7.73211446626071     
-   28.0986147299517       split increased to            2  itime      556193 
+ acceleration/energy drift too large   4.18548686661115     
+   11.0246835252392       split increased to            2  itime      535281 
   itsplit           1
- acceleration/energy drift too large   6.27120131512814     
-   16.6056621058615       split increased to            2  itime      556431 
+ acceleration/energy drift too large   7.26372518172864     
+   36.2219230160685       split increased to            2  itime      537079 
   itsplit           1
- acceleration/energy drift too large   6.53545401145014     
-   17.3181702214668       split increased to            2  itime      557186 
+ acceleration/energy drift too large   5.14035389938236     
+   11.7327691344663       split increased to            2  itime      538689 
   itsplit           1
- acceleration/energy drift too large   2.47596547907026     
-   10.4208805035151       split increased to            2  itime      557252 
+Velocities reset to random values, time           107999.80
+ acceleration/energy drift too large   4.51563341206380     
+   18.2265785388783       split increased to            2  itime      543148 
   itsplit           1
- acceleration/energy drift too large   5.02568288497151     
-   16.0846477484121       split increased to            2  itime      557615 
+ acceleration/energy drift too large   6.98600930187806     
+   22.0281616780724       split increased to            2  itime      546150 
   itsplit           1
- acceleration/energy drift too large   5.07857505966143     
-   13.2435574291324       split increased to            2  itime      558569 
+ acceleration/energy drift too large   9.44138902436643     
+   42.8546790236988       split increased to            2  itime      547997 
   itsplit           1
- acceleration/energy drift too large   3.86205116364816     
-   12.9721389775296       split increased to            2  itime      559280 
+Velocities reset to random values, time           109999.80
+ acceleration/energy drift too large   7.33555091066331     
+   21.2409581249673       split increased to            2  itime      553375 
   itsplit           1
-Velocities reset to random values, time           111999.80
- acceleration/energy drift too large   2.99030253767552     
-   13.9266456705530       split increased to            2  itime      562241 
+ acceleration/energy drift too large   8.40346215240483     
+   34.6060139412084       split increased to            2  itime      555425 
   itsplit           1
- acceleration/energy drift too large   3.38108237836890     
-   10.7653768653146       split increased to            2  itime      562501 
+ acceleration/energy drift too large   5.08160965493349     
+   26.5305101209948       split increased to            2  itime      555449 
   itsplit           1
- acceleration/energy drift too large   5.54353967446682     
-   22.1760458471457       split increased to            2  itime      562868 
+ acceleration/energy drift too large   2.19775154762170     
+   11.6997216870408       split increased to            2  itime      557387 
   itsplit           1
- acceleration/energy drift too large   5.21104323841252     
-   17.3041008048135       split increased to            2  itime      563785 
+ acceleration/energy drift too large   1.47915811498575     
+   11.4181550998662       split increased to            2  itime      558458 
   itsplit           1
- acceleration/energy drift too large   2.84510021935849     
-   23.6072311408185       split increased to            2  itime      564119 
+ acceleration/energy drift too large   7.40674688751249     
+   25.7980250531580       split increased to            2  itime      558603 
   itsplit           1
- acceleration/energy drift too large   4.58382816243769     
-   15.8429116750557       split increased to            2  itime      565004 
+ acceleration/energy drift too large   2.48970509995056     
+   17.5507929255567       split increased to            2  itime      559965 
   itsplit           1
- acceleration/energy drift too large   5.81288732478330     
-   15.2971118703362       split increased to            2  itime      565368 
+Velocities reset to random values, time           111999.80
+ acceleration/energy drift too large   5.86918439243631     
+   12.4501797213461       split increased to            2  itime      562926 
   itsplit           1
- acceleration/energy drift too large   5.62161271126533     
-   14.5412071734199       split increased to            2  itime      565424 
+ acceleration/energy drift too large   4.94862795250665     
+   17.1223079582701       split increased to            2  itime      563105 
   itsplit           1
- acceleration/energy drift too large   7.19595325174469     
-   21.4820865381036       split increased to            2  itime      565650 
+ acceleration/energy drift too large   3.34733629114778     
+   22.1435474310822       split increased to            2  itime      563904 
   itsplit           1
- acceleration/energy drift too large   6.63418224917685     
-   26.1868011849154       split increased to            2  itime      565762 
+ acceleration/energy drift too large   3.49793975071332     
+   15.0572661539993       split increased to            2  itime      565582 
   itsplit           1
- acceleration/energy drift too large   3.70944257010536     
-   11.1219440765609       split increased to            2  itime      566604 
+ acceleration/energy drift too large   4.94365652341386     
+   10.8167815942916       split increased to            2  itime      565600 
   itsplit           1
- acceleration/energy drift too large   4.30092461424052     
-   16.9825164511491       split increased to            2  itime      566939 
+ acceleration/energy drift too large   2.13497412849550     
+   12.5559497501989       split increased to            2  itime      567167 
   itsplit           1
- acceleration/energy drift too large   6.02749697911174     
-   11.0830550784154       split increased to            2  itime      567105 
+ acceleration/energy drift too large   6.29262639367615     
+   10.7149302190480       split increased to            2  itime      568237 
   itsplit           1
- acceleration/energy drift too large   3.51986092433453     
-   10.6109347338683       split increased to            2  itime      568492 
+ acceleration/energy drift too large   3.90945429151435     
+   15.2573143048390       split increased to            2  itime      568542 
   itsplit           1
- acceleration/energy drift too large   4.82972775258408     
-   15.2723308027605       split increased to            2  itime      569074 
+ acceleration/energy drift too large   5.20493539487758     
+   10.7128442098068       split increased to            2  itime      568849 
   itsplit           1
- acceleration/energy drift too large   4.65679985304098     
-   11.4933886483429       split increased to            2  itime      569284 
+ acceleration/energy drift too large   2.54095273602809     
+   16.3004797274468       split increased to            2  itime      569406 
   itsplit           1
 Velocities reset to random values, time           113999.80
- acceleration/energy drift too large   7.54941569471367     
-   31.7275370125797       split increased to            2  itime      571717 
-  itsplit           1
- acceleration/energy drift too large   6.96021050632536     
-   28.2899032577741       split increased to            2  itime      575246 
-  itsplit           1
- acceleration/energy drift too large   1.33892218407015     
-   10.4798611409334       split increased to            2  itime      577089 
-  itsplit           1
- acceleration/energy drift too large   4.10393752413878     
-   12.3270904550999       split increased to            2  itime      577239 
-  itsplit           1
-Velocities reset to random values, time           115999.80
- acceleration/energy drift too large   6.13119094094969     
-   11.8910217358431       split increased to            2  itime      580132 
+ acceleration/energy drift too large   9.17742326968023     
+   29.0544029524750       split increased to            2  itime      570936 
   itsplit           1
- acceleration/energy drift too large   6.83157967442031     
-   15.3896659364549       split increased to            2  itime      580432 
+ acceleration/energy drift too large   6.54840608785262     
+   13.9759503442289       split increased to            2  itime      571056 
   itsplit           1
- acceleration/energy drift too large   3.41820888656590     
-   26.1116834284304       split increased to            2  itime      580849 
+ acceleration/energy drift too large   2.80492652769202     
+   12.3897453587319       split increased to            2  itime      574135 
   itsplit           1
- acceleration/energy drift too large   5.14458270353948     
-   34.3642167393162       split increased to            2  itime      581943 
+ acceleration/energy drift too large   7.95827299688954     
+   27.0970890315635       split increased to            2  itime      574629 
   itsplit           1
- acceleration/energy drift too large   4.90600604587959     
-   32.4464514126978       split increased to            2  itime      583317 
+ acceleration/energy drift too large   4.58484924675718     
+   10.2462644251674       split increased to            2  itime      575745 
   itsplit           1
- acceleration/energy drift too large   6.65296034490271     
-   15.0961602600649       split increased to            2  itime      583699 
+ acceleration/energy drift too large   2.25332404536768     
+   12.8302912384764       split increased to            2  itime      577521 
   itsplit           1
- acceleration/energy drift too large   6.57457922976373     
-   13.4640735150194       split increased to            2  itime      584021 
+ acceleration/energy drift too large   10.4563882258878     
+   69.0682147756401       split increased to            2  itime      577843 
   itsplit           1
- acceleration/energy drift too large   3.56987537864550     
-   10.1330415993246       split increased to            2  itime      584406 
+Velocities reset to random values, time           115999.80
+ acceleration/energy drift too large   2.94382091468212     
+   15.2183446455799       split increased to            2  itime      587079 
   itsplit           1
- acceleration/energy drift too large   4.88552779689805     
-   19.8088871890450       split increased to            2  itime      584812 
+ acceleration/energy drift too large   9.72831816375565     
+   40.5767003244547       split increased to            2  itime      588820 
   itsplit           1
- acceleration/energy drift too large   5.83075372970270     
-   16.9227659906254       split increased to            2  itime      587573 
+ acceleration/energy drift too large   5.29814542992048     
+   16.3104778243298       split increased to            2  itime      588879 
   itsplit           1
- acceleration/energy drift too large   13.1778968169276     
-   73.5571946789578       split increased to            2  itime      589169 
+ acceleration/energy drift too large   4.86769954611960     
+   33.4984288460723       split increased to            2  itime      589038 
   itsplit           1
- acceleration/energy drift too large   6.50616864134724     
-   21.0998129265571       split increased to            2  itime      589630 
+ acceleration/energy drift too large   1.48259598710568     
+   11.5791942939149       split increased to            2  itime      589160 
   itsplit           1
- acceleration/energy drift too large   5.39713503574611     
-   14.8319054963819       split increased to            2  itime      589900 
+ acceleration/energy drift too large   5.99904653062700     
+   42.6177655926637       split increased to            2  itime      589366 
   itsplit           1
 Velocities reset to random values, time           117999.80
- acceleration/energy drift too large   9.01168976147967     
-   27.1161604695109       split increased to            2  itime      591096 
-  itsplit           1
- acceleration/energy drift too large   4.83160333108601     
-   13.9773223246657       split increased to            2  itime      592353 
+ acceleration/energy drift too large   2.53215878853365     
+   10.7678049460087       split increased to            2  itime      591046 
   itsplit           1
- acceleration/energy drift too large   4.76209370814736     
-   11.5022939522272       split increased to            2  itime      593561 
+ acceleration/energy drift too large   6.04885358313373     
+   16.3385215728903       split increased to            2  itime      594530 
   itsplit           1
- acceleration/energy drift too large   6.11807636921755     
-   13.7212306054072       split increased to            2  itime      596686 
+ acceleration/energy drift too large   3.21143097147966     
+   17.4828366698872       split increased to            2  itime      595187 
   itsplit           1
- acceleration/energy drift too large   6.78895961337294     
-   11.4897414315954       split increased to            2  itime      598478 
+ acceleration/energy drift too large   5.82613753161231     
+   14.5700923952942       split increased to            2  itime      596338 
   itsplit           1
- acceleration/energy drift too large   4.12692973924663     
-   15.2879214505011       split increased to            2  itime      598751 
+ acceleration/energy drift too large   8.09167763309047     
+   30.6607984676892       split increased to            2  itime      597454 
   itsplit           1
- acceleration/energy drift too large   5.99453570163047     
-   15.5054024061990       split increased to            2  itime      599208 
+ acceleration/energy drift too large   5.06490467569374     
+   15.1352963669831       split increased to            2  itime      597655 
   itsplit           1
- acceleration/energy drift too large   4.23273541452622     
-   11.0888322396737       split increased to            2  itime      599497 
+ acceleration/energy drift too large   5.95798811350407     
+   13.7152227253521       split increased to            2  itime      599854 
   itsplit           1
 Velocities reset to random values, time           119999.80
  REMD synchro at      600000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   195.035156250000       0.000000000000000E+000
+ REMD gather times=   246.597656250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.33333    6
-ACC   2   260.00000     0.33333    6
-ACC   3   270.00000     0.16667    6
-ACC   4   280.00000     0.50000    6
-ACC   5   290.00000     0.33333    6
-ACC   6   300.00000     0.66667    6
-ACC   7   310.00000     0.83333    6
-ACC   8   320.00000     0.50000    6
-ACC   9   330.00000     0.50000    6
-ACC  10   340.00000     0.50000    6
+ACC   1   250.00000     0.66667    6
+ACC   2   260.00000     0.16667    6
+ACC   3   270.00000     0.66667    6
+ACC   4   280.00000     0.33333    6
+ACC   5   290.00000     0.83333    6
+ACC   6   300.00000     0.50000    6
+ACC   7   310.00000     0.50000    6
+ACC   8   320.00000     0.66667    6
+ACC   9   330.00000     0.66667    6
+ACC  10   340.00000     0.66667    6
 ACC  11   350.00000     0.66667    6
 ACC  12   360.00000     1.00000    6
-ACC  13   370.00000     1.00000    6
-ACC  14   380.00000     0.83333    6
-ACC  15   390.00000     1.00000    6
+ACC  13   370.00000     0.83333    6
+ACC  14   380.00000     1.00000    6
+ACC  15   390.00000     0.83333    6
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   1.61383574334184     
-   10.8703549407332       split increased to            2  itime      601915 
-  itsplit           1
- acceleration/energy drift too large   4.13090095140610     
-   11.1305416623764       split increased to            2  itime      602078 
-  itsplit           1
- acceleration/energy drift too large   6.73220659860410     
-   21.3521154167369       split increased to            2  itime      602202 
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   9.71715874518612     
+   59.8032874173844       split increased to            2  itime      607171 
   itsplit           1
- acceleration/energy drift too large   5.38228354580940     
-   19.3628689561513       split increased to            2  itime      603678 
+ acceleration/energy drift too large   4.40624250666789     
+   12.4735464516614       split increased to            2  itime      608452 
   itsplit           1
- acceleration/energy drift too large   12.0334931851951     
-   61.0736639252352       split increased to            2  itime      603869 
+ acceleration/energy drift too large   4.92471626019456     
+   12.8749967985790       split increased to            2  itime      608619 
   itsplit           1
- acceleration/energy drift too large   4.76702234139221     
-   26.4461505089406       split increased to            2  itime      608849 
+ acceleration/energy drift too large   2.92638293351378     
+   17.2687629694548       split increased to            2  itime      608847 
   itsplit           1
 Velocities reset to random values, time           121999.80
- acceleration/energy drift too large   4.44511623156298     
-   13.9800721172987       split increased to            2  itime      611747 
-  itsplit           1
- acceleration/energy drift too large   4.43930572794680     
-   10.9546113602159       split increased to            2  itime      612900 
-  itsplit           1
- acceleration/energy drift too large   3.51213287547324     
-   12.0562978140125       split increased to            2  itime      613121 
-  itsplit           1
- acceleration/energy drift too large   6.74574712483426     
-   16.9322722223233       split increased to            2  itime      614592 
-  itsplit           1
- acceleration/energy drift too large   5.72135799384483     
-   11.5086267252639       split increased to            2  itime      615757 
+ acceleration/energy drift too large   6.76222420680634     
+   20.4787665723596       split increased to            2  itime      610526 
   itsplit           1
- acceleration/energy drift too large   4.35859024009647     
-   16.1479363475983       split increased to            2  itime      616392 
+ acceleration/energy drift too large   5.35938999590726     
+   15.7494533417325       split increased to            2  itime      611332 
   itsplit           1
- acceleration/energy drift too large   6.51414848632314     
-   15.3633918217191       split increased to            2  itime      616472 
+ acceleration/energy drift too large   5.33524414069573     
+   10.9140893048528       split increased to            2  itime      612114 
   itsplit           1
- acceleration/energy drift too large   7.11915115050323     
-   22.1696102637861       split increased to            2  itime      616980 
+ acceleration/energy drift too large   2.85977337754126     
+   17.0767507163904       split increased to            2  itime      612265 
   itsplit           1
- acceleration/energy drift too large   3.31043475223815     
-   14.0103772875270       split increased to            2  itime      616981 
+ acceleration/energy drift too large   3.01761334880526     
+   11.9009045695825       split increased to            2  itime      615109 
   itsplit           1
- acceleration/energy drift too large   4.60502470883819     
-   17.7599431582187       split increased to            2  itime      618292 
-  itsplit           1
- acceleration/energy drift too large   6.41163644570835     
-   27.0074964569075       split increased to            2  itime      618484 
-  itsplit           1
- acceleration/energy drift too large   4.25516281210151     
-   14.1364883572687       split increased to            2  itime      619672 
+ acceleration/energy drift too large   5.76895029471224     
+   14.0020953103614       split increased to            2  itime      616290 
   itsplit           1
 Velocities reset to random values, time           123999.80
- acceleration/energy drift too large   3.41552147289797     
-   12.8946933921410       split increased to            2  itime      621264 
-  itsplit           1
- acceleration/energy drift too large   7.22597558509700     
-   21.6260265947815       split increased to            2  itime      621939 
+ acceleration/energy drift too large   5.00627731892210     
+   15.9344036924909       split increased to            2  itime      620150 
   itsplit           1
- acceleration/energy drift too large   3.32210603761968     
-   11.2519363752802       split increased to            2  itime      623160 
+ acceleration/energy drift too large   5.30241147190562     
+   11.3698028078059       split increased to            2  itime      621072 
   itsplit           1
- acceleration/energy drift too large   4.01434930775965     
-   18.9902504838354       split increased to            2  itime      624165 
+ acceleration/energy drift too large   12.7833135883039     
+   67.1337457993802       split increased to            2  itime      621304 
   itsplit           1
- acceleration/energy drift too large   3.37203456399538     
-   18.3126888666996       split increased to            2  itime      624914 
-  itsplit           1
- acceleration/energy drift too large   8.95316826923174     
-   37.8843278140647       split increased to            2  itime      627818 
-  itsplit           1
-Velocities reset to random values, time           125999.80
- acceleration/energy drift too large   10.3379023004573     
-   45.9783221038344       split increased to            2  itime      631622 
-  itsplit           1
- acceleration/energy drift too large   2.70572625910498     
-   11.9806694593834       split increased to            4  itime      631622 
+ acceleration/energy drift too large   2.32973725771269     
+   10.2049498086886       split increased to            4  itime      621304 
   itsplit           2
- acceleration/energy drift too large   7.38833473732745     
-   23.1465144946963       split increased to            2  itime      632492 
-  itsplit           1
- acceleration/energy drift too large   2.90133796402800     
-   10.2906197866190       split increased to            2  itime      632661 
+ acceleration/energy drift too large   3.29420355352208     
+   12.3258359780711       split increased to            2  itime      622091 
   itsplit           1
- acceleration/energy drift too large   6.07300016531791     
-   11.8798780638794       split increased to            2  itime      634219 
+ acceleration/energy drift too large   5.71930806506670     
+   15.7387058099748       split increased to            2  itime      623030 
   itsplit           1
- acceleration/energy drift too large   1.75790944113087     
-   10.2202055527658       split increased to            2  itime      637515 
+ acceleration/energy drift too large   6.15119168429779     
+   17.2693746264671       split increased to            2  itime      624095 
   itsplit           1
- acceleration/energy drift too large   5.91197094579359     
-   27.0840891531874       split increased to            2  itime      638799 
+ acceleration/energy drift too large   4.93999527772330     
+   13.3315197418524       split increased to            2  itime      625495 
   itsplit           1
- acceleration/energy drift too large   5.37636385990829     
-   13.8509445515420       split increased to            2  itime      639464 
+ acceleration/energy drift too large   4.60198952011376     
+   15.9485900764603       split increased to            2  itime      625821 
   itsplit           1
-Velocities reset to random values, time           127999.80
- acceleration/energy drift too large   6.29067827563317     
-   24.7435043157680       split increased to            2  itime      640033 
+ acceleration/energy drift too large   12.0556188261804     
+   69.8860709807945       split increased to            2  itime      626286 
   itsplit           1
- acceleration/energy drift too large   4.45349336807577     
-   11.8027979354510       split increased to            2  itime      640551 
+ acceleration/energy drift too large   6.27665329714280     
+   26.6759763933355       split increased to            2  itime      627929 
   itsplit           1
- acceleration/energy drift too large   5.99693024591215     
-   17.6223487934020       split increased to            2  itime      641881 
+ acceleration/energy drift too large   5.16841085528000     
+   25.5642572830610       split increased to            2  itime      628484 
   itsplit           1
- acceleration/energy drift too large   5.75123438901773     
-   15.5573152573780       split increased to            2  itime      642826 
+ acceleration/energy drift too large   5.50937764328620     
+   19.4157357197023       split increased to            2  itime      628606 
   itsplit           1
- acceleration/energy drift too large   2.69926910764448     
-   10.3392180444648       split increased to            2  itime      642922 
+ acceleration/energy drift too large   3.05591740403203     
+   24.4386443236678       split increased to            2  itime      629539 
   itsplit           1
- acceleration/energy drift too large   4.49392739045279     
-   29.4366097203193       split increased to            2  itime      642995 
+ acceleration/energy drift too large   2.76462414439163     
+   10.4596700568920       split increased to            2  itime      629713 
   itsplit           1
- acceleration/energy drift too large   3.16721991791287     
-   11.1410140085252       split increased to            2  itime      643016 
+Velocities reset to random values, time           125999.80
+ acceleration/energy drift too large   5.04120310602140     
+   12.6078173736158       split increased to            2  itime      631644 
   itsplit           1
- acceleration/energy drift too large   2.47282930351708     
-   10.6233173102080       split increased to            2  itime      643028 
+ acceleration/energy drift too large   2.39949902546027     
+   17.0504778937893       split increased to            2  itime      632769 
   itsplit           1
- acceleration/energy drift too large   2.62115225978156     
-   10.9304599449762       split increased to            2  itime      643060 
+ acceleration/energy drift too large   3.34177919588478     
+   28.0613572847578       split increased to            2  itime      635478 
   itsplit           1
- acceleration/energy drift too large   6.10173235570320     
-   12.7519050632937       split increased to            2  itime      645166 
+ acceleration/energy drift too large   5.39761527381098     
+   18.3093460100015       split increased to            2  itime      636093 
   itsplit           1
- acceleration/energy drift too large   1.70767457692884     
-   10.2461804222472       split increased to            2  itime      645553 
+ acceleration/energy drift too large   4.54932031628597     
+   13.8642384182678       split increased to            2  itime      639646 
   itsplit           1
- acceleration/energy drift too large   2.62147763356911     
-   10.6693131113800       split increased to            2  itime      645584 
+Velocities reset to random values, time           127999.80
+ acceleration/energy drift too large   6.91273824347971     
+   35.1469077072675       split increased to            2  itime      640532 
   itsplit           1
- acceleration/energy drift too large   3.28611972242092     
-   10.8060499568916       split increased to            2  itime      645594 
+ acceleration/energy drift too large   2.65603008549948     
+   13.4475672506537       split increased to            2  itime      642883 
   itsplit           1
- acceleration/energy drift too large   3.04980893856563     
-   15.0518134298067       split increased to            2  itime      645595 
+ acceleration/energy drift too large   4.39385041471738     
+   11.0331370806649       split increased to            2  itime      645983 
   itsplit           1
- acceleration/energy drift too large   4.08482546857459     
-   16.6776685314898       split increased to            2  itime      647400 
+ acceleration/energy drift too large   7.11392505819986     
+   21.3984211886317       split increased to            2  itime      647683 
   itsplit           1
- acceleration/energy drift too large   6.74064000101903     
-   18.7386337247554       split increased to            2  itime      647449 
+ acceleration/energy drift too large   2.59892604791826     
+   10.7126511335512       split increased to            2  itime      649346 
   itsplit           1
- acceleration/energy drift too large   7.24494145620149     
-   24.0197299659072       split increased to            2  itime      648336 
+ acceleration/energy drift too large   8.43553973350020     
+   37.9038255467908       split increased to            2  itime      649675 
   itsplit           1
- acceleration/energy drift too large   6.37578608765211     
-   14.1170294530328       split increased to            2  itime      649172 
+ acceleration/energy drift too large   2.30066816759875     
+   27.7993441832080       split increased to            2  itime      649676 
   itsplit           1
 Velocities reset to random values, time           129999.80
- acceleration/energy drift too large   7.05603828445552     
-   13.0816390658427       split increased to            2  itime      653429 
+ acceleration/energy drift too large   3.83954662955577     
+   10.5153298841480       split increased to            2  itime      651801 
   itsplit           1
- acceleration/energy drift too large   6.75793990386597     
-   14.1884845126677       split increased to            2  itime      653479 
+ acceleration/energy drift too large   3.76427566550022     
+   10.9121844353233       split increased to            2  itime      652185 
   itsplit           1
- acceleration/energy drift too large   8.27310550670955     
-   17.6617784907215       split increased to            2  itime      654646 
+ acceleration/energy drift too large   2.86185143034784     
+   20.4232202744548       split increased to            2  itime      652275 
   itsplit           1
- acceleration/energy drift too large   5.05637649327615     
-   12.0506782209388       split increased to            2  itime      655164 
+ acceleration/energy drift too large   4.29396444820257     
+   10.1068911404815       split increased to            2  itime      654113 
   itsplit           1
- acceleration/energy drift too large   7.76722876060624     
-   21.3713041337327       split increased to            2  itime      655982 
+ acceleration/energy drift too large   5.76822631513329     
+   25.6356596718263       split increased to            2  itime      655791 
   itsplit           1
- acceleration/energy drift too large   2.11558271992769     
-   10.9135824522643       split increased to            2  itime      656624 
+ acceleration/energy drift too large   1.92256810542904     
+   17.0238302079479       split increased to            2  itime      655792 
   itsplit           1
- acceleration/energy drift too large   5.63841662647707     
-   12.6340853812411       split increased to            2  itime      657227 
+ acceleration/energy drift too large   3.90414522769411     
+   13.6878200408195       split increased to            2  itime      657293 
   itsplit           1
-Velocities reset to random values, time           131999.80
- acceleration/energy drift too large   7.10981221770267     
-   10.6719660492955       split increased to            2  itime      660687 
+ acceleration/energy drift too large   4.73886927221301     
+   22.3124043189652       split increased to            2  itime      658104 
   itsplit           1
- acceleration/energy drift too large   5.25255662550628     
-   10.4791949685477       split increased to            2  itime      661942 
+ acceleration/energy drift too large   5.61217960662995     
+   20.8143472632252       split increased to            2  itime      659317 
   itsplit           1
- acceleration/energy drift too large   4.90670554098452     
-   14.8997497934871       split increased to            2  itime      662623 
+ acceleration/energy drift too large   5.27624729087840     
+   11.3642346101039       split increased to            2  itime      659927 
   itsplit           1
- acceleration/energy drift too large   6.65732779979351     
-   16.6644131896240       split increased to            2  itime      663198 
+Velocities reset to random values, time           131999.80
+ acceleration/energy drift too large   7.27138544505715     
+   22.0522021734202       split increased to            2  itime      661344 
   itsplit           1
- acceleration/energy drift too large   5.22191922386254     
-   11.2544790171099       split increased to            2  itime      663577 
+ acceleration/energy drift too large   6.76997060492267     
+   18.7689454989263       split increased to            2  itime      663264 
   itsplit           1
- acceleration/energy drift too large   2.51332347644796     
-   10.4001107014571       split increased to            2  itime      665119 
+ acceleration/energy drift too large   1.89498881590130     
+   11.6924984697133       split increased to            2  itime      663265 
   itsplit           1
- acceleration/energy drift too large   2.43833879666690     
-   13.8247967054443       split increased to            2  itime      669735 
+ acceleration/energy drift too large   4.71012071753865     
+   24.7361124863986       split increased to            2  itime      665990 
   itsplit           1
-Velocities reset to random values, time           133999.80
- acceleration/energy drift too large   5.96793203464628     
-   14.4827336571532       split increased to            2  itime      671289 
+ acceleration/energy drift too large   4.25256813735382     
+   16.7266556658472       split increased to            2  itime      668575 
   itsplit           1
- acceleration/energy drift too large   5.71587947456280     
-   14.7745597113328       split increased to            2  itime      672408 
+Velocities reset to random values, time           133999.80
+ acceleration/energy drift too large   2.97028645724151     
+   15.4115514672812       split increased to            2  itime      670170 
   itsplit           1
- acceleration/energy drift too large   5.48497438921223     
-   12.1568427051958       split increased to            2  itime      676680 
+ acceleration/energy drift too large   4.71276635535120     
+   13.9001211104302       split increased to            2  itime      670546 
   itsplit           1
- acceleration/energy drift too large   2.15692391202057     
-   10.7919052767619       split increased to            2  itime      677075 
+ acceleration/energy drift too large   4.05665159859389     
+   13.6518927915944       split increased to            2  itime      670791 
   itsplit           1
- acceleration/energy drift too large   5.32841318713589     
-   18.0599331053517       split increased to            2  itime      678075 
+ acceleration/energy drift too large   4.81382067786864     
+   10.7371078384639       split increased to            2  itime      671360 
   itsplit           1
- acceleration/energy drift too large   10.4983782829775     
-   57.2214990313819       split increased to            2  itime      678749 
+ acceleration/energy drift too large   2.35211449692875     
+   16.1371186919273       split increased to            2  itime      674269 
   itsplit           1
- acceleration/energy drift too large   6.75292451703138     
-   13.8930163231851       split increased to            2  itime      678894 
+ acceleration/energy drift too large   3.45858212223954     
+   10.6453284092327       split increased to            2  itime      676102 
   itsplit           1
- acceleration/energy drift too large   2.59487793515253     
-   12.3356631865565       split increased to            2  itime      678983 
+ acceleration/energy drift too large   3.18069158781499     
+   10.5184494090905       split increased to            2  itime      677010 
   itsplit           1
- acceleration/energy drift too large   2.66464124140996     
-   17.1202670755749       split increased to            2  itime      679490 
+ acceleration/energy drift too large   8.27044292755897     
+   17.8680409062391       split increased to            2  itime      677100 
   itsplit           1
 Velocities reset to random values, time           135999.80
- acceleration/energy drift too large   8.98112518027019     
-   27.4521750157633       split increased to            2  itime      683676 
-  itsplit           1
- acceleration/energy drift too large   5.32368642990992     
-   16.4878339869579       split increased to            2  itime      684357 
-  itsplit           1
- acceleration/energy drift too large   13.5157746278577     
-   74.0054818361155       split increased to            2  itime      684621 
+ acceleration/energy drift too large   3.81821696054580     
+   24.2526821441175       split increased to            2  itime      681744 
   itsplit           1
- acceleration/energy drift too large   3.11641451014671     
-   15.3328965898951       split increased to            4  itime      684621 
-  itsplit           2
- acceleration/energy drift too large   3.83946781163305     
-   10.1157683026041       split increased to            2  itime      684843 
-  itsplit           1
- acceleration/energy drift too large   7.37229988676769     
-   20.9688926608233       split increased to            2  itime      685060 
-  itsplit           1
- acceleration/energy drift too large   6.05549116788822     
-   12.4171605308774       split increased to            2  itime      686331 
+ acceleration/energy drift too large   6.99061182290122     
+   24.7359107735812       split increased to            2  itime      684913 
   itsplit           1
- acceleration/energy drift too large   4.50860242713658     
-   10.7451491400415       split increased to            2  itime      686855 
+ acceleration/energy drift too large   3.98290241303336     
+   11.7275853703771       split increased to            2  itime      686533 
   itsplit           1
- acceleration/energy drift too large   7.67206357961921     
-   21.9534349853498       split increased to            2  itime      687130 
+ acceleration/energy drift too large   4.86885150597400     
+   15.2934903355320       split increased to            2  itime      686885 
   itsplit           1
- acceleration/energy drift too large   4.67960302617472     
-   10.3945718470318       split increased to            2  itime      687406 
+ acceleration/energy drift too large   4.71754649980239     
+   12.8462508471881       split increased to            2  itime      687700 
   itsplit           1
- acceleration/energy drift too large   5.37410928380272     
-   16.5280981260831       split increased to            2  itime      687978 
-  itsplit           1
- acceleration/energy drift too large   6.58378268465171     
-   32.4602177741036       split increased to            2  itime      688139 
-  itsplit           1
- acceleration/energy drift too large   10.5213741684151     
-   51.3532308630975       split increased to            2  itime      688945 
+ acceleration/energy drift too large   4.57767748221234     
+   11.0000678006552       split increased to            2  itime      688084 
   itsplit           1
 Velocities reset to random values, time           137999.80
- acceleration/energy drift too large   7.15818315439346     
-   14.7711098991745       split increased to            2  itime      690123 
-  itsplit           1
- acceleration/energy drift too large   5.13345826735310     
-   12.9154423939417       split increased to            2  itime      690452 
+ acceleration/energy drift too large   13.2997689068681     
+   94.4635984333734       split increased to            2  itime      692228 
   itsplit           1
- acceleration/energy drift too large   3.69828575920798     
-   13.7984282146694       split increased to            2  itime      690759 
+ acceleration/energy drift too large   8.77309310113610     
+   19.8602818129925       split increased to            2  itime      693015 
   itsplit           1
- acceleration/energy drift too large   12.9113759021292     
-   57.1071362044076       split increased to            2  itime      690869 
-  itsplit           1
- acceleration/energy drift too large   4.03032808784480     
-   10.1613099293257       split increased to            2  itime      692840 
-  itsplit           1
- acceleration/energy drift too large   2.66692454099747     
-   18.1850064454467       split increased to            2  itime      694427 
-  itsplit           1
- acceleration/energy drift too large   5.85125477896762     
-   16.9846206804245       split increased to            2  itime      696768 
-  itsplit           1
- acceleration/energy drift too large   8.86495403644284     
-   30.0966871554674       split increased to            2  itime      697025 
-  itsplit           1
- acceleration/energy drift too large   5.57468537830864     
-   20.3692042181053       split increased to            2  itime      697139 
-  itsplit           1
- acceleration/energy drift too large   4.46260172527485     
-   12.2672786320640       split increased to            2  itime      697501 
+ acceleration/energy drift too large   3.71047698450896     
+   21.9360083048692       split increased to            2  itime      694769 
   itsplit           1
 Velocities reset to random values, time           139999.80
  REMD synchro at      700000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   227.496093750000       0.000000000000000E+000
+ REMD gather times=   287.238281250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.28571    7
-ACC   2   260.00000     0.28571    7
-ACC   3   270.00000     0.14286    7
-ACC   4   280.00000     0.57143    7
-ACC   5   290.00000     0.28571    7
-ACC   6   300.00000     0.71429    7
-ACC   7   310.00000     0.85714    7
-ACC   8   320.00000     0.42857    7
+ACC   1   250.00000     0.57143    7
+ACC   2   260.00000     0.14286    7
+ACC   3   270.00000     0.57143    7
+ACC   4   280.00000     0.42857    7
+ACC   5   290.00000     0.85714    7
+ACC   6   300.00000     0.42857    7
+ACC   7   310.00000     0.57143    7
+ACC   8   320.00000     0.57143    7
 ACC   9   330.00000     0.57143    7
-ACC  10   340.00000     0.57143    7
+ACC  10   340.00000     0.71429    7
 ACC  11   350.00000     0.71429    7
 ACC  12   360.00000     1.00000    7
-ACC  13   370.00000     1.00000    7
-ACC  14   380.00000     0.71429    7
-ACC  15   390.00000     1.00000    7
+ACC  13   370.00000     0.85714    7
+ACC  14   380.00000     1.00000    7
+ACC  15   390.00000     0.71429    7
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
- acceleration/energy drift too large   9.48111853840265     
-   37.3554901747500       split increased to            2  itime      700269 
-  itsplit           1
- acceleration/energy drift too large   5.92652634184808     
-   15.1625569006554       split increased to            2  itime      700670 
-  itsplit           1
- acceleration/energy drift too large   5.79815268365684     
-   15.3208988252801       split increased to            2  itime      701066 
-  itsplit           1
- acceleration/energy drift too large   6.06539827063121     
-   10.0975632460788       split increased to            2  itime      701439 
-  itsplit           1
- acceleration/energy drift too large   4.41167682862143     
-   11.2960213307414       split increased to            2  itime      708298 
-  itsplit           1
- acceleration/energy drift too large   5.83749424212255     
-   14.4170464613483       split increased to            2  itime      708807 
+ acceleration/energy drift too large   10.3778105513077     
+   45.5705698821442       split increased to            2  itime      700713 
   itsplit           1
-Velocities reset to random values, time           141999.80
- acceleration/energy drift too large   3.11628270111409     
-   10.9421282167708       split increased to            2  itime      710015 
-  itsplit           1
- acceleration/energy drift too large   2.48428420081342     
-   10.7218168860647       split increased to            2  itime      710021 
-  itsplit           1
- acceleration/energy drift too large   3.38403592328471     
-   10.5988596696206       split increased to            2  itime      710023 
-  itsplit           1
- acceleration/energy drift too large   3.64632714394122     
-   24.9674676452095       split increased to            2  itime      710024 
-  itsplit           1
- acceleration/energy drift too large   2.53849806155195     
-   11.7576421358898       split increased to            2  itime      710026 
-  itsplit           1
- acceleration/energy drift too large   3.58350553417218     
-   11.4437948159201       split increased to            2  itime      711659 
+ acceleration/energy drift too large   7.27573280681885     
+   24.9773549123473       split increased to            2  itime      701689 
   itsplit           1
- acceleration/energy drift too large   2.32418304338524     
-   12.0403672971422       split increased to            2  itime      711660 
+ acceleration/energy drift too large   6.95000881352936     
+   21.0349886412081       split increased to            2  itime      703581 
   itsplit           1
- acceleration/energy drift too large   2.42805959448394     
-   14.8632007111289       split increased to            2  itime      712797 
+ acceleration/energy drift too large   5.69628876858718     
+   23.8161175695906       split increased to            2  itime      704264 
   itsplit           1
- acceleration/energy drift too large   5.68015846820261     
-   11.2926593529828       split increased to            2  itime      713572 
+ acceleration/energy drift too large   3.93928634771575     
+   10.1940724001607       split increased to            2  itime      704705 
   itsplit           1
- acceleration/energy drift too large   9.21396852521451     
-   37.1458138780936       split increased to            2  itime      713787 
+ acceleration/energy drift too large   6.27973560454849     
+   14.9305840329817       split increased to            2  itime      707585 
   itsplit           1
- acceleration/energy drift too large  0.106769918407327     
-   22.8161695510620       split increased to            2  itime      713788 
+ acceleration/energy drift too large   6.31623307196396     
+   19.7653590101662       split increased to            2  itime      707795 
   itsplit           1
- acceleration/energy drift too large   8.90049746501867     
-   40.0440672197960       split increased to            2  itime      713944 
+ acceleration/energy drift too large   5.64308742094512     
+   16.3528520241839       split increased to            2  itime      708635 
   itsplit           1
- acceleration/energy drift too large   4.41848576780768     
-   11.8317790664630       split increased to            2  itime      713974 
+ acceleration/energy drift too large   4.64674972802479     
+   18.9843998879432       split increased to            2  itime      709649 
   itsplit           1
- acceleration/energy drift too large   7.80451541812845     
-   30.8602288486198       split increased to            2  itime      714514 
-  itsplit           1
- acceleration/energy drift too large   7.24656117993099     
-   21.2015267390908       split increased to            2  itime      715696 
+Velocities reset to random values, time           141999.80
+ acceleration/energy drift too large   9.57199415528501     
+   44.9230058722958       split increased to            2  itime      710918 
   itsplit           1
- acceleration/energy drift too large   4.29602244471840     
-   12.4356127685082       split increased to            2  itime      716071 
+ acceleration/energy drift too large   6.27829155238554     
+   20.2094809942395       split increased to            2  itime      712410 
   itsplit           1
- acceleration/energy drift too large   4.74158122281652     
-   15.3361576590736       split increased to            2  itime      717477 
+ acceleration/energy drift too large   4.94108339671913     
+   16.2454096534851       split increased to            2  itime      714916 
   itsplit           1
- acceleration/energy drift too large   7.24162757349097     
-   24.4939566977319       split increased to            2  itime      717937 
+ acceleration/energy drift too large   1.58139072088629     
+   11.3134504660929       split increased to            2  itime      717821 
   itsplit           1
- acceleration/energy drift too large   3.80194827027654     
-   11.2278036453757       split increased to            2  itime      719828 
+ acceleration/energy drift too large   5.62619364680017     
+   19.0758211139970       split increased to            2  itime      719701 
   itsplit           1
 Velocities reset to random values, time           143999.80
- acceleration/energy drift too large   5.72782673065057     
-   12.1612164922536       split increased to            2  itime      721340 
-  itsplit           1
- acceleration/energy drift too large   2.80136494818698     
-   13.4546088191659       split increased to            2  itime      722273 
+ acceleration/energy drift too large   8.90664511810799     
+   30.7245742938004       split increased to            2  itime      720639 
   itsplit           1
- acceleration/energy drift too large   5.21377529799895     
-   16.4543503622877       split increased to            2  itime      722921 
+ acceleration/energy drift too large   4.18101659782279     
+   14.5463771146216       split increased to            2  itime      721665 
   itsplit           1
- acceleration/energy drift too large   6.74337265247742     
-   13.5768408818075       split increased to            2  itime      723012 
+ acceleration/energy drift too large   6.31798074268771     
+   18.6648250851177       split increased to            2  itime      723347 
   itsplit           1
- acceleration/energy drift too large   7.06799873558812     
-   13.1597107220358       split increased to            2  itime      723684 
+ acceleration/energy drift too large   5.45922533867425     
+   12.5303171763889       split increased to            2  itime      724356 
   itsplit           1
- acceleration/energy drift too large   2.46886350127129     
-   12.2605346794587       split increased to            2  itime      727665 
+ acceleration/energy drift too large   3.66629266475106     
+   14.9568924600617       split increased to            2  itime      727915 
   itsplit           1
- acceleration/energy drift too large   2.74879152809633     
-   16.6596768449764       split increased to            2  itime      728113 
+ acceleration/energy drift too large   9.13010064304933     
+   37.8993733018647       split increased to            2  itime      728265 
   itsplit           1
- acceleration/energy drift too large   3.70222923334393     
-   10.4206060728096       split increased to            2  itime      728578 
-  itsplit           1
- acceleration/energy drift too large   8.38697111084772     
-   24.5520288677278       split increased to            2  itime      728653 
-  itsplit           1
- acceleration/energy drift too large   6.55300226654904     
-   12.4839620131983       split increased to            2  itime      729798 
+ acceleration/energy drift too large   5.32719379476917     
+   19.3222371399577       split increased to            2  itime      729233 
   itsplit           1
 Velocities reset to random values, time           145999.80
- acceleration/energy drift too large   4.52688412267505     
-   12.1778120722852       split increased to            2  itime      730127 
-  itsplit           1
- acceleration/energy drift too large   7.27002570163120     
-   22.9496763352238       split increased to            2  itime      730293 
+ acceleration/energy drift too large   7.21564885130355     
+   18.1218745084352       split increased to            2  itime      733183 
   itsplit           1
- acceleration/energy drift too large   5.80078824337604     
-   24.1179240500528       split increased to            2  itime      731025 
+ acceleration/energy drift too large   4.18084418088015     
+   11.0738642328025       split increased to            2  itime      733427 
   itsplit           1
- acceleration/energy drift too large   3.01841900597338     
-   17.0827045480764       split increased to            2  itime      733316 
+ acceleration/energy drift too large   5.87958189450254     
+   24.7461867274068       split increased to            2  itime      735277 
   itsplit           1
- acceleration/energy drift too large   3.83421158293151     
-   10.6573951084954       split increased to            2  itime      733722 
+ acceleration/energy drift too large   6.18748492772104     
+   14.9326830525905       split increased to            2  itime      735435 
   itsplit           1
- acceleration/energy drift too large   3.84568400644585     
-   25.6246692571675       split increased to            2  itime      738162 
+ acceleration/energy drift too large   6.83995181617502     
+   16.7581154678553       split increased to            2  itime      737989 
   itsplit           1
- acceleration/energy drift too large   9.65148432617272     
-   22.9353514656327       split increased to            2  itime      738372 
+ acceleration/energy drift too large   1.67490689483482     
+   10.7839989694902       split increased to            2  itime      737990 
   itsplit           1
- acceleration/energy drift too large   2.30351365362488     
-   11.5766459543138       split increased to            2  itime      738373 
-  itsplit           1
- acceleration/energy drift too large   2.41568109968673     
-   11.0806841100755       split increased to            2  itime      739768 
-  itsplit           1
- acceleration/energy drift too large   6.17649060267068     
-   12.4134296819427       split increased to            2  itime      739869 
+ acceleration/energy drift too large   6.79184559076221     
+   15.8180365298599       split increased to            2  itime      739398 
   itsplit           1
 Velocities reset to random values, time           147999.80
- acceleration/energy drift too large   3.19419989383782     
-   29.0491254496017       split increased to            2  itime      740275 
-  itsplit           1
- acceleration/energy drift too large   4.53932184219639     
-   18.9125153316458       split increased to            2  itime      741257 
+ acceleration/energy drift too large   3.30831403126013     
+   11.1859602450591       split increased to            2  itime      742022 
   itsplit           1
- acceleration/energy drift too large   6.66409989160522     
-   15.7527220510082       split increased to            2  itime      742923 
+ acceleration/energy drift too large   4.07888915912230     
+   13.2748829366573       split increased to            2  itime      742027 
   itsplit           1
- acceleration/energy drift too large   5.08549409274227     
-   18.8842862760581       split increased to            2  itime      743152 
+ acceleration/energy drift too large   5.72499011188089     
+   15.3263852424929       split increased to            2  itime      742738 
   itsplit           1
- acceleration/energy drift too large   2.83180760254276     
-   12.1885186578404       split increased to            2  itime      743430 
+ acceleration/energy drift too large   7.83185407579471     
+   19.4951971527134       split increased to            2  itime      743233 
   itsplit           1
- acceleration/energy drift too large   5.46420460685356     
-   11.1275707592010       split increased to            2  itime      744439 
-  itsplit           1
- acceleration/energy drift too large   2.81758019912195     
-   20.4492849189267       split increased to            2  itime      748415 
-  itsplit           1
- acceleration/energy drift too large   5.85048355646658     
-   11.1839991700051       split increased to            2  itime      749296 
+ acceleration/energy drift too large   6.52887497863429     
+   21.4564475249590       split increased to            2  itime      749310 
   itsplit           1
 Velocities reset to random values, time           149999.80
- acceleration/energy drift too large   4.88684548539567     
-   11.4767290070410       split increased to            2  itime      751536 
-  itsplit           1
- acceleration/energy drift too large   2.59072324024931     
-   16.4373749369956       split increased to            2  itime      752066 
+ acceleration/energy drift too large   4.94921375391011     
+   12.2242079505662       split increased to            2  itime      750276 
   itsplit           1
- acceleration/energy drift too large   7.35073203984059     
-   33.7807795980702       split increased to            2  itime      754963 
+ acceleration/energy drift too large   11.1679888745769     
+   62.0550631922757       split increased to            2  itime      752053 
   itsplit           1
- acceleration/energy drift too large   3.79253420111213     
-   10.1516805137794       split increased to            2  itime      754964 
+ acceleration/energy drift too large   4.89572586133282     
+   10.7894332258531       split increased to            2  itime      755735 
   itsplit           1
- acceleration/energy drift too large   6.33588535096383     
-   18.1585955158809       split increased to            2  itime      755746 
+ acceleration/energy drift too large   4.63367814375340     
+   16.0053753500892       split increased to            2  itime      755990 
   itsplit           1
- acceleration/energy drift too large   4.25126564387823     
-   16.4272801868394       split increased to            2  itime      756601 
+ acceleration/energy drift too large   6.70881450263157     
+   21.9401424860544       split increased to            2  itime      756758 
   itsplit           1
- acceleration/energy drift too large   3.99524059314491     
-   12.2937256147512       split increased to            2  itime      757595 
-  itsplit           1
- acceleration/energy drift too large   2.31570157723142     
-   10.3463154443897       split increased to            2  itime      757890 
-  itsplit           1
- acceleration/energy drift too large   7.07350324380949     
-   22.9036457575273       split increased to            2  itime      758372 
-  itsplit           1
- acceleration/energy drift too large   6.92149712332671     
-   18.7065658373756       split increased to            2  itime      759045 
-  itsplit           1
- acceleration/energy drift too large   3.75418468437547     
-   11.2267907412702       split increased to            2  itime      759422 
+ acceleration/energy drift too large   2.59574291918531     
+   15.1827344266691       split increased to            2  itime      757037 
   itsplit           1
 Velocities reset to random values, time           151999.80
- acceleration/energy drift too large   6.55590958378466     
-   19.4943107855686       split increased to            2  itime      760130 
-  itsplit           1
- acceleration/energy drift too large   4.96341022660263     
-   10.4796238965439       split increased to            2  itime      760609 
+ acceleration/energy drift too large   7.32034953554721     
+   19.8162048344026       split increased to            2  itime      760706 
   itsplit           1
- acceleration/energy drift too large   4.28685045772715     
-   17.2542038365198       split increased to            2  itime      762225 
+ acceleration/energy drift too large   7.48416048631258     
+   27.1719402067542       split increased to            2  itime      762342 
   itsplit           1
- acceleration/energy drift too large   4.79139054576949     
-   21.1929841889114       split increased to            2  itime      762332 
+ acceleration/energy drift too large   4.18588105437259     
+   15.4932857043460       split increased to            2  itime      762864 
   itsplit           1
- acceleration/energy drift too large   2.19567166863080     
-   19.6078390539336       split increased to            2  itime      762442 
+ acceleration/energy drift too large   6.54325795200421     
+   20.9453564287120       split increased to            2  itime      763167 
   itsplit           1
- acceleration/energy drift too large   4.15562192183137     
-   12.4052280101841       split increased to            2  itime      763270 
+ acceleration/energy drift too large   1.45408992370410     
+   10.6691353890354       split increased to            2  itime      763168 
   itsplit           1
- acceleration/energy drift too large   6.67800779274290     
-   10.8542006922579       split increased to            2  itime      763739 
+ acceleration/energy drift too large   2.82344793669962     
+   14.7804760111857       split increased to            2  itime      764078 
   itsplit           1
- acceleration/energy drift too large   5.48945576396763     
-   12.8426320077445       split increased to            2  itime      764978 
+ acceleration/energy drift too large   8.31820693210541     
+   33.9992073588097       split increased to            2  itime      766434 
   itsplit           1
- acceleration/energy drift too large   2.41550070219384     
-   10.4457610483471       split increased to            2  itime      765126 
-  itsplit           1
- acceleration/energy drift too large   8.30488215313361     
-   20.5712218028977       split increased to            2  itime      765938 
-  itsplit           1
- acceleration/energy drift too large   2.68655262335729     
-   14.5031465966545       split increased to            2  itime      769068 
-  itsplit           1
- acceleration/energy drift too large   14.3202262639808     
-   74.1945645100843       split increased to            2  itime      769149 
-  itsplit           1
- acceleration/energy drift too large   6.37265317434364     
-   10.3835483532290       split increased to            2  itime      769812 
-  itsplit           1
- acceleration/energy drift too large   5.41705913040113     
-   19.2727135608556       split increased to            2  itime      769936 
+ acceleration/energy drift too large   2.96568614245952     
+   11.4882593662374       split increased to            2  itime      767142 
   itsplit           1
 Velocities reset to random values, time           153999.80
- acceleration/energy drift too large   2.65338508012329     
-   18.2283304069230       split increased to            2  itime      770664 
-  itsplit           1
- acceleration/energy drift too large   7.78750398107057     
-   23.4268212675427       split increased to            2  itime      771560 
+ acceleration/energy drift too large   6.97846234309328     
+   21.1599471495579       split increased to            2  itime      770104 
   itsplit           1
- acceleration/energy drift too large   4.02270381472729     
-   11.5911587335225       split increased to            2  itime      771572 
+ acceleration/energy drift too large   6.07186105990665     
+   17.0411709570779       split increased to            2  itime      772282 
   itsplit           1
- acceleration/energy drift too large   7.24443763098898     
-   17.3157345279854       split increased to            2  itime      772444 
+ acceleration/energy drift too large   4.13149609079361     
+   16.1542632063644       split increased to            2  itime      773044 
   itsplit           1
- acceleration/energy drift too large   3.62766204619302     
-   23.3847550239658       split increased to            2  itime      773643 
+ acceleration/energy drift too large   3.58024752183285     
+   10.9986196865224       split increased to            2  itime      774074 
   itsplit           1
- acceleration/energy drift too large   7.73110985048388     
-   22.3274899589543       split increased to            2  itime      774180 
+ acceleration/energy drift too large   4.65933869631464     
+   11.3020894912283       split increased to            2  itime      775762 
   itsplit           1
- acceleration/energy drift too large   1.81456262597225     
-   10.2289470769982       split increased to            2  itime      774964 
-  itsplit           1
- acceleration/energy drift too large   4.77104751390150     
-   24.4200863473633       split increased to            2  itime      777295 
-  itsplit           1
- acceleration/energy drift too large   8.23848280431424     
-   16.7089880075257       split increased to            2  itime      778458 
-  itsplit           1
- acceleration/energy drift too large   1.96611316381944     
-   13.3068889340193       split increased to            2  itime      779390 
-  itsplit           1
- acceleration/energy drift too large   2.68269098733308     
-   15.4345310766816       split increased to            2  itime      779472 
+ acceleration/energy drift too large   6.64324453541183     
+   23.8329909845452       split increased to            2  itime      777131 
   itsplit           1
 Velocities reset to random values, time           155999.80
- acceleration/energy drift too large   6.08631073696335     
-   14.1857149912418       split increased to            2  itime      781128 
-  itsplit           1
- acceleration/energy drift too large   7.64876551395536     
-   28.2934275516627       split increased to            2  itime      781643 
+ acceleration/energy drift too large   6.21725848487174     
+   25.5192016738765       split increased to            2  itime      781969 
   itsplit           1
- acceleration/energy drift too large   1.65150666469985     
-   11.3058518352293       split increased to            2  itime      781644 
+ acceleration/energy drift too large   5.28482788139553     
+   11.5832453886868       split increased to            2  itime      782431 
   itsplit           1
- acceleration/energy drift too large   3.19338093587230     
-   15.8156283500549       split increased to            2  itime      781853 
+ acceleration/energy drift too large   5.41197131488078     
+   20.5645222904982       split increased to            2  itime      785602 
   itsplit           1
- acceleration/energy drift too large   7.51814928754246     
-   15.3942026491305       split increased to            2  itime      782057 
+ acceleration/energy drift too large   4.21617607792446     
+   12.4151289744401       split increased to            2  itime      785662 
   itsplit           1
- acceleration/energy drift too large   11.1570385150250     
-   52.8792077583558       split increased to            2  itime      784630 
+ acceleration/energy drift too large   5.65334441539085     
+   19.8128836173558       split increased to            2  itime      785798 
   itsplit           1
- acceleration/energy drift too large   2.47711238145094     
-   11.1275614329443       split increased to            4  itime      784630 
-  itsplit           2
- acceleration/energy drift too large   6.67988208791786     
-   17.2248826171143       split increased to            2  itime      784857 
+ acceleration/energy drift too large   6.83070723864076     
+   19.6384142278756       split increased to            2  itime      786290 
   itsplit           1
- acceleration/energy drift too large   6.57037342439842     
-   14.0873436511116       split increased to            2  itime      784873 
+ acceleration/energy drift too large   5.46846480378341     
+   13.6903747152896       split increased to            2  itime      786291 
   itsplit           1
- acceleration/energy drift too large   7.13770580416722     
-   13.6481273516105       split increased to            2  itime      785792 
+ acceleration/energy drift too large   13.0371271915984     
+   83.8643176917916       split increased to            2  itime      786459 
   itsplit           1
- acceleration/energy drift too large   4.41598008239338     
-   14.7027053964525       split increased to            2  itime      786898 
+ acceleration/energy drift too large   2.53750747410760     
+   13.1257901957793       split increased to            4  itime      786459 
   itsplit           1
- acceleration/energy drift too large   3.01778004354443     
-   13.5268941264796       split increased to            2  itime      787024 
+ acceleration/energy drift too large   5.05341198342882     
+   18.6910663504077       split increased to            2  itime      786526 
   itsplit           1
- acceleration/energy drift too large   3.82485347191422     
-   15.2306172963860       split increased to            2  itime      787226 
+ acceleration/energy drift too large   5.54498610041270     
+   10.1127896865556       split increased to            2  itime      788113 
   itsplit           1
- acceleration/energy drift too large   2.39817914582185     
-   10.1074315975894       split increased to            2  itime      787317 
+ acceleration/energy drift too large   2.90616231253841     
+   17.3750446284212       split increased to            2  itime      788363 
   itsplit           1
- acceleration/energy drift too large   6.27314072074063     
-   18.3138941886135       split increased to            2  itime      788621 
-  itsplit           1
- acceleration/energy drift too large   4.99020487564879     
-   12.5705552876649       split increased to            2  itime      788908 
+ acceleration/energy drift too large   5.71484421940178     
+   14.9752755984658       split increased to            2  itime      788521 
   itsplit           1
 Velocities reset to random values, time           157999.80
- acceleration/energy drift too large   11.1575314870851     
-   50.4528009695359       split increased to            2  itime      792019 
-  itsplit           1
- acceleration/energy drift too large   9.19395571448687     
-   43.3527902848097       split increased to            2  itime      793235 
-  itsplit           1
- acceleration/energy drift too large   9.62756534992418     
-   47.5344506914747       split increased to            2  itime      793291 
-  itsplit           1
- acceleration/energy drift too large   3.76857428974905     
-   13.8317456983157       split increased to            2  itime      793292 
-  itsplit           1
- acceleration/energy drift too large   2.99088901104746     
-   14.5313187730571       split increased to            2  itime      793311 
-  itsplit           1
- acceleration/energy drift too large   5.62990680970384     
-   11.0099656047654       split increased to            2  itime      794150 
+ acceleration/energy drift too large   3.48438872244240     
+   11.0277705412612       split increased to            2  itime      791053 
   itsplit           1
- acceleration/energy drift too large   7.25147605047218     
-   25.1558180331533       split increased to            2  itime      795221 
+ acceleration/energy drift too large   7.28480866116712     
+   21.8225684294232       split increased to            2  itime      793001 
   itsplit           1
- acceleration/energy drift too large   12.8975509930814     
-   68.4949057161906       split increased to            2  itime      795398 
+ acceleration/energy drift too large   3.15715745140506     
+   17.8421191129000       split increased to            2  itime      793953 
   itsplit           1
- acceleration/energy drift too large   7.37688326608030     
-   12.4732805985511       split increased to            2  itime      796169 
+ acceleration/energy drift too large   3.15369662510729     
+   11.0968276137573       split increased to            2  itime      794883 
   itsplit           1
- acceleration/energy drift too large   3.04329912000243     
-   16.4115087312489       split increased to            2  itime      798661 
-  itsplit           1
- acceleration/energy drift too large   7.21552859647106     
-   19.8684592979951       split increased to            2  itime      799560 
-  itsplit           1
- acceleration/energy drift too large   7.13321694859787     
-   13.1035511102310       split increased to            2  itime      799561 
-  itsplit           1
- acceleration/energy drift too large   2.53698696597176     
-   13.2101962190522       split increased to            2  itime      799567 
+ acceleration/energy drift too large   7.72057481913265     
+   24.8835100133885       split increased to            2  itime      798908 
   itsplit           1
 Velocities reset to random values, time           159999.80
  REMD synchro at      800000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   260.140625000000       0.000000000000000E+000
+ REMD gather times=   328.550781250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.25000    8
-ACC   2   260.00000     0.25000    8
-ACC   3   270.00000     0.12500    8
-ACC   4   280.00000     0.50000    8
-ACC   5   290.00000     0.37500    8
-ACC   6   300.00000     0.75000    8
-ACC   7   310.00000     0.75000    8
-ACC   8   320.00000     0.50000    8
+ACC   1   250.00000     0.50000    8
+ACC   2   260.00000     0.12500    8
+ACC   3   270.00000     0.62500    8
+ACC   4   280.00000     0.37500    8
+ACC   5   290.00000     0.87500    8
+ACC   6   300.00000     0.50000    8
+ACC   7   310.00000     0.50000    8
+ACC   8   320.00000     0.62500    8
 ACC   9   330.00000     0.62500    8
-ACC  10   340.00000     0.50000    8
+ACC  10   340.00000     0.75000    8
 ACC  11   350.00000     0.62500    8
-ACC  12   360.00000     1.00000    8
-ACC  13   370.00000     1.00000    8
-ACC  14   380.00000     0.75000    8
-ACC  15   390.00000     1.00000    8
+ACC  12   360.00000     0.87500    8
+ACC  13   370.00000     0.87500    8
+ACC  14   380.00000     1.00000    8
+ACC  15   390.00000     0.62500    8
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   2.49560117263529     
-   12.3356114331076       split increased to            2  itime      801393 
-  itsplit           1
- acceleration/energy drift too large   2.68666226977592     
-   14.1073489053055       split increased to            2  itime      801780 
-  itsplit           1
- acceleration/energy drift too large   6.28195659361892     
-   15.1347694948240       split increased to            2  itime      801913 
-  itsplit           1
- acceleration/energy drift too large   3.33990698870006     
-   16.2959306575547       split increased to            2  itime      802690 
-  itsplit           1
- acceleration/energy drift too large   2.25603803205069     
-   11.2759948540232       split increased to            2  itime      802784 
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   3.38237005481425     
+   13.0177372503329       split increased to            2  itime      800382 
   itsplit           1
- acceleration/energy drift too large   6.06649723495989     
-   27.1236674896159       split increased to            2  itime      803868 
+ acceleration/energy drift too large   3.68687740502707     
+   13.1131661952979       split increased to            2  itime      800387 
   itsplit           1
- acceleration/energy drift too large   1.76184697869429     
-   12.5354068521887       split increased to            2  itime      803869 
+ acceleration/energy drift too large   6.62429806890289     
+   12.2670178116433       split increased to            2  itime      800938 
   itsplit           1
- acceleration/energy drift too large   13.7393612938053     
-   105.314521051185       split increased to            2  itime      803954 
+ acceleration/energy drift too large   6.00459371892473     
+   15.9760740580868       split increased to            2  itime      802758 
   itsplit           1
- acceleration/energy drift too large   6.39829920904918     
-   29.7066707076645       split increased to            2  itime      805716 
+ acceleration/energy drift too large   4.17606065745418     
+   10.2323470782529       split increased to            2  itime      803761 
   itsplit           1
- acceleration/energy drift too large   11.2809067376822     
-   85.4809057346991       split increased to            2  itime      805965 
+ acceleration/energy drift too large   7.14104757757157     
+   20.7982096617325       split increased to            2  itime      804047 
   itsplit           1
- acceleration/energy drift too large   5.16315098747571     
-   14.6334255936545       split increased to            2  itime      807126 
+ acceleration/energy drift too large   2.83314361087813     
+   12.8493895575084       split increased to            4  itime      804047 
   itsplit           1
- acceleration/energy drift too large   3.04202243189798     
-   12.4034331407945       split increased to            2  itime      807813 
+ acceleration/energy drift too large   3.33130572746387     
+   14.4036278564385       split increased to            2  itime      806263 
   itsplit           1
- acceleration/energy drift too large   4.61196912165306     
-   10.9756846369713       split increased to            2  itime      807903 
+ acceleration/energy drift too large   12.1916474879637     
+   56.5697056781182       split increased to            2  itime      807235 
   itsplit           1
- acceleration/energy drift too large   3.36725671702218     
-   23.7278988386518       split increased to            2  itime      808414 
+ acceleration/energy drift too large   6.24713930055895     
+   18.6589292216253       split increased to            2  itime      808243 
   itsplit           1
- acceleration/energy drift too large   6.36914601316082     
-   14.6148477746338       split increased to            2  itime      808637 
+ acceleration/energy drift too large   6.03295922073790     
+   40.7623276865984       split increased to            2  itime      808686 
   itsplit           1
- acceleration/energy drift too large   7.51700144675740     
-   24.3778459328923       split increased to            2  itime      808807 
+ acceleration/energy drift too large   3.76743568790769     
+   14.6040332829347       split increased to            2  itime      809142 
   itsplit           1
- acceleration/energy drift too large   8.15724043951756     
-   18.2389594890401       split increased to            2  itime      808853 
+ acceleration/energy drift too large   4.13754874438400     
+   18.2337725436080       split increased to            2  itime      809623 
   itsplit           1
 Velocities reset to random values, time           161999.80
- acceleration/energy drift too large   5.05353758900526     
-   19.9487190282516       split increased to            2  itime      811132 
+ acceleration/energy drift too large   4.61915591810941     
+   15.2083008276129       split increased to            2  itime      812048 
   itsplit           1
- acceleration/energy drift too large   7.35131152245022     
-   17.9190768090841       split increased to            2  itime      811189 
+ acceleration/energy drift too large   6.67026259160006     
+   16.1113234821336       split increased to            2  itime      813913 
   itsplit           1
- acceleration/energy drift too large   13.6542022900821     
-   82.5490042083586       split increased to            2  itime      811502 
+ acceleration/energy drift too large   5.58387686436455     
+   34.9327419785173       split increased to            2  itime      815133 
   itsplit           1
- acceleration/energy drift too large   2.26127983181184     
-   10.1351707382094       split increased to            4  itime      811502 
+ acceleration/energy drift too large   4.08276807715154     
+   19.0777719391742       split increased to            2  itime      816262 
   itsplit           1
- acceleration/energy drift too large   6.75823790596674     
-   22.1115011809634       split increased to            2  itime      811527 
+ acceleration/energy drift too large   5.27950585884284     
+   24.6189440909066       split increased to            2  itime      816612 
   itsplit           1
- acceleration/energy drift too large   4.57592671062124     
-   12.9823309068691       split increased to            2  itime      813233 
+ acceleration/energy drift too large   6.81190392531213     
+   24.6797017641099       split increased to            2  itime      816866 
   itsplit           1
- acceleration/energy drift too large   2.68704486328404     
-   10.5845754320962       split increased to            2  itime      813271 
+ acceleration/energy drift too large   2.93320265977883     
+   21.3972634743811       split increased to            2  itime      817074 
   itsplit           1
- acceleration/energy drift too large   7.25552506712819     
-   17.5386551937626       split increased to            2  itime      813935 
+ acceleration/energy drift too large   7.48598917794396     
+   32.6082284070652       split increased to            2  itime      817318 
   itsplit           1
- acceleration/energy drift too large   3.11262022119854     
-   15.4771516739353       split increased to            2  itime      815078 
+ acceleration/energy drift too large   8.26129258186401     
+   30.6228226158735       split increased to            2  itime      817966 
   itsplit           1
- acceleration/energy drift too large   3.96177052316574     
-   28.4677161427700       split increased to            2  itime      815140 
+ acceleration/energy drift too large   4.77570704216971     
+   22.0248529530527       split increased to            2  itime      818008 
   itsplit           1
- acceleration/energy drift too large   6.77365741524387     
-   16.9618594515644       split increased to            2  itime      815423 
+ acceleration/energy drift too large   5.35228511113650     
+   15.6578021514609       split increased to            2  itime      818163 
   itsplit           1
- acceleration/energy drift too large   3.19900949442022     
-   16.7634629858129       split increased to            2  itime      815531 
+ acceleration/energy drift too large   4.46753689895765     
+   24.3214321902305       split increased to            2  itime      818329 
   itsplit           1
- acceleration/energy drift too large   3.15534061463786     
-   19.3080814281077       split increased to            2  itime      816113 
+ acceleration/energy drift too large   8.65704282458737     
+   35.8732029872120       split increased to            2  itime      819528 
   itsplit           1
- acceleration/energy drift too large   7.07815234606879     
-   13.0414904280456       split increased to            2  itime      816231 
+ acceleration/energy drift too large   5.78007710800197     
+   22.0861024992975       split increased to            2  itime      819529 
   itsplit           1
- acceleration/energy drift too large   2.98572674928343     
-   11.1635088775362       split increased to            2  itime      817443 
+ acceleration/energy drift too large   4.87823055857814     
+   29.8210517689087       split increased to            2  itime      819530 
   itsplit           1
- acceleration/energy drift too large   2.60950069719954     
-   14.5344310367469       split increased to            2  itime      817948 
-  itsplit           1
- acceleration/energy drift too large   2.42349725705244     
-   14.0851445323885       split increased to            2  itime      818227 
-  itsplit           1
- acceleration/energy drift too large   2.40447030645576     
-   16.3534444057961       split increased to            2  itime      818291 
+ acceleration/energy drift too large   5.74715504704695     
+   25.1059119223681       split increased to            2  itime      819900 
   itsplit           1
 Velocities reset to random values, time           163999.80
- acceleration/energy drift too large   5.57678277880079     
-   11.5930884940148       split increased to            2  itime      820239 
-  itsplit           1
- acceleration/energy drift too large   5.61006805655581     
-   20.8062583513205       split increased to            2  itime      820972 
+ acceleration/energy drift too large   7.76147643858833     
+   29.4585233985278       split increased to            2  itime      821760 
   itsplit           1
- acceleration/energy drift too large   5.42005527386467     
-   20.2903746069282       split increased to            2  itime      821758 
-  itsplit           1
- acceleration/energy drift too large   3.45405024697185     
-   10.6077908235409       split increased to            2  itime      829497 
-  itsplit           1
-Velocities reset to random values, time           165999.80
- acceleration/energy drift too large   8.00482423739271     
-   26.3192330041714       split increased to            2  itime      830292 
+ acceleration/energy drift too large   3.83798515116589     
+   13.2033374964672       split increased to            2  itime      821770 
   itsplit           1
- acceleration/energy drift too large  0.000000000000000E+000
-   13.5358175515058       split increased to            2  itime      830293 
+ acceleration/energy drift too large   2.49919679902956     
+   14.0079057484298       split increased to            2  itime      822357 
   itsplit           1
- acceleration/energy drift too large   12.0501062965000     
-   81.4965932294386       split increased to            2  itime      830648 
+ acceleration/energy drift too large   5.82407528491353     
+   25.3257064881128       split increased to            2  itime      824671 
   itsplit           1
- acceleration/energy drift too large   2.31833787539216     
-   10.5441231759565       split increased to            4  itime      830648 
+ acceleration/energy drift too large   5.32627469315376     
+   27.4006405978295       split increased to            2  itime      825001 
   itsplit           1
- acceleration/energy drift too large   3.31284394493809     
-   11.0974395059474       split increased to            2  itime      831492 
+ acceleration/energy drift too large   2.33214372413994     
+   14.2912364737723       split increased to            2  itime      825739 
   itsplit           1
- acceleration/energy drift too large   3.63920673154793     
-   10.0184548310538       split increased to            2  itime      832199 
+ acceleration/energy drift too large   6.22466386010683     
+   17.9960686598819       split increased to            2  itime      826578 
   itsplit           1
- acceleration/energy drift too large   2.57965518295656     
-   14.3993670495984       split increased to            2  itime      833330 
+ acceleration/energy drift too large   5.40935382198015     
+   12.1564640761943       split increased to            2  itime      827613 
   itsplit           1
- acceleration/energy drift too large   2.07787389788803     
-   13.3300445432331       split increased to            2  itime      835341 
+ acceleration/energy drift too large   6.86826673909432     
+   29.2659566477914       split increased to            2  itime      827895 
   itsplit           1
- acceleration/energy drift too large   9.74331826026958     
-   30.6450269273983       split increased to            2  itime      837863 
+ acceleration/energy drift too large   1.84483561906871     
+   10.2687803467267       split increased to            2  itime      827906 
   itsplit           1
- acceleration/energy drift too large   4.99620808438900     
-   12.7355827298097       split increased to            2  itime      838757 
+ acceleration/energy drift too large   4.41335974905746     
+   13.2407898890004       split increased to            2  itime      828514 
   itsplit           1
- acceleration/energy drift too large   4.51809368883965     
-   12.3987328136999       split increased to            2  itime      839247 
+ acceleration/energy drift too large   3.02034561393073     
+   16.6338408090693       split increased to            2  itime      829946 
   itsplit           1
- acceleration/energy drift too large   5.52602123070095     
-   14.0929294820262       split increased to            2  itime      839818 
-  itsplit           1
-Velocities reset to random values, time           167999.80
- acceleration/energy drift too large   6.13721917571532     
-   10.9127412760628       split increased to            2  itime      840724 
-  itsplit           1
- acceleration/energy drift too large   2.19293850530273     
-   13.3015380609607       split increased to            2  itime      841636 
-  itsplit           1
- acceleration/energy drift too large   3.51122324319924     
-   11.5525059454894       split increased to            2  itime      841751 
-  itsplit           1
- acceleration/energy drift too large   8.99381323759562     
-   26.5463884010055       split increased to            2  itime      841853 
-  itsplit           1
- acceleration/energy drift too large   6.14269464578919     
-   17.2473991214217       split increased to            2  itime      842424 
+Velocities reset to random values, time           165999.80
+ acceleration/energy drift too large   3.08452972545759     
+   10.5044340844618       split increased to            2  itime      830652 
   itsplit           1
- acceleration/energy drift too large   5.34783634740487     
-   10.1598674632788       split increased to            2  itime      844168 
+ acceleration/energy drift too large   4.25104832653793     
+   23.6020327369768       split increased to            2  itime      831232 
   itsplit           1
- acceleration/energy drift too large   12.7826562028498     
-   69.5226157271955       split increased to            2  itime      844537 
+ acceleration/energy drift too large   3.85856743565436     
+   17.0170700739114       split increased to            2  itime      831257 
   itsplit           1
- acceleration/energy drift too large   2.43764402148802     
-   10.9300343302225       split increased to            4  itime      844537 
-  itsplit           2
- acceleration/energy drift too large   5.55946334607925     
-   15.3345545672609       split increased to            2  itime      846078 
+ acceleration/energy drift too large   5.83119008389862     
+   17.2210768793317       split increased to            2  itime      831821 
   itsplit           1
- acceleration/energy drift too large   2.46314605679691     
-   10.3122251663836       split increased to            2  itime      846131 
+ acceleration/energy drift too large   2.72811395369507     
+   12.2677516099127       split increased to            2  itime      832689 
   itsplit           1
- acceleration/energy drift too large   5.64913145729300     
-   25.2146316283323       split increased to            2  itime      846287 
+ acceleration/energy drift too large   6.59370874136313     
+   28.4885900900972       split increased to            2  itime      835818 
   itsplit           1
- acceleration/energy drift too large   1.89346153186027     
-   12.2863749401481       split increased to            2  itime      847228 
+ acceleration/energy drift too large   2.43937127054156     
+   15.7146173182305       split increased to            2  itime      836053 
   itsplit           1
- acceleration/energy drift too large   2.46105455798979     
-   11.6410190704922       split increased to            2  itime      847229 
+ acceleration/energy drift too large   6.92352713455002     
+   22.3954301350214       split increased to            2  itime      836152 
   itsplit           1
- acceleration/energy drift too large   3.13434246794972     
-   18.7878722362838       split increased to            2  itime      847920 
+ acceleration/energy drift too large   10.3377921290485     
+   65.7154067717737       split increased to            2  itime      836657 
   itsplit           1
-Velocities reset to random values, time           169999.80
- acceleration/energy drift too large   1.80665683133751     
-   10.5079509668449       split increased to            2  itime      850025 
+ acceleration/energy drift too large   6.19757696466051     
+   20.0374099530676       split increased to            2  itime      836994 
   itsplit           1
- acceleration/energy drift too large   3.02107980669774     
-   10.1033804329793       split increased to            2  itime      850086 
+ acceleration/energy drift too large   2.92297915921742     
+   10.2742942501505       split increased to            2  itime      838306 
   itsplit           1
- acceleration/energy drift too large   8.75749543216179     
-   28.7155022072959       split increased to            2  itime      850329 
+ acceleration/energy drift too large   2.40425053490664     
+   10.9015965976524       split increased to            2  itime      838561 
   itsplit           1
- acceleration/energy drift too large   2.85367858335283     
-   14.4938205479602       split increased to            2  itime      851849 
+ acceleration/energy drift too large   4.97086160917120     
+   12.5812660991000       split increased to            2  itime      839160 
   itsplit           1
- acceleration/energy drift too large   3.56805453760284     
-   22.2771976078644       split increased to            2  itime      851925 
+Velocities reset to random values, time           167999.80
+ acceleration/energy drift too large   4.42382407486215     
+   20.5996592580773       split increased to            2  itime      840102 
   itsplit           1
- acceleration/energy drift too large   7.28857114627885     
-   15.4024829004875       split increased to            2  itime      852313 
+ acceleration/energy drift too large   4.35570287778676     
+   12.7768539335291       split increased to            2  itime      840130 
   itsplit           1
- acceleration/energy drift too large   2.70678695026793     
-   11.4999378146110       split increased to            2  itime      853037 
+ acceleration/energy drift too large   11.9814639271485     
+   70.1879084920940       split increased to            2  itime      841497 
   itsplit           1
- acceleration/energy drift too large   5.53770782910775     
-   16.7776317738034       split increased to            2  itime      853099 
+ acceleration/energy drift too large   3.68225950799101     
+   15.1774100075725       split increased to            2  itime      842027 
   itsplit           1
- acceleration/energy drift too large   5.87758068250916     
-   28.2471211020177       split increased to            2  itime      853219 
+ acceleration/energy drift too large   5.52356101604260     
+   21.6925019980335       split increased to            2  itime      842475 
   itsplit           1
- acceleration/energy drift too large   2.93007082503758     
-   10.7187393085427       split increased to            2  itime      853338 
+ acceleration/energy drift too large   4.84176523358378     
+   20.1892075942597       split increased to            2  itime      843439 
   itsplit           1
- acceleration/energy drift too large   3.01268820383414     
-   11.0407864892503       split increased to            2  itime      853376 
+ acceleration/energy drift too large   4.34206175859455     
+   20.2417658406234       split increased to            2  itime      844110 
   itsplit           1
- acceleration/energy drift too large   2.80156496969548     
-   10.4013249854363       split increased to            2  itime      853394 
+ acceleration/energy drift too large   5.39278510422845     
+   11.7355225791856       split increased to            2  itime      847857 
   itsplit           1
- acceleration/energy drift too large   1.65122494094768     
-   10.2113834343005       split increased to            2  itime      853403 
+ acceleration/energy drift too large   9.32972240718352     
+   42.9981090151215       split increased to            2  itime      848216 
   itsplit           1
- acceleration/energy drift too large   7.44527484528177     
-   13.7841385879957       split increased to            2  itime      853429 
+ acceleration/energy drift too large   2.45326740453658     
+   10.4502112328651       split increased to            2  itime      848663 
   itsplit           1
- acceleration/energy drift too large   5.65629070818708     
-   17.0458799462099       split increased to            2  itime      853439 
+Velocities reset to random values, time           169999.80
+ acceleration/energy drift too large   4.01177317857258     
+   15.4009906152363       split increased to            2  itime      852663 
   itsplit           1
- acceleration/energy drift too large   3.03459155706405     
-   10.2246636921157       split increased to            2  itime      853457 
+ acceleration/energy drift too large   5.32832053515490     
+   12.1204317802878       split increased to            2  itime      852686 
   itsplit           1
- acceleration/energy drift too large   3.43975999929615     
-   10.0735328082754       split increased to            2  itime      853465 
+ acceleration/energy drift too large   3.98636743684713     
+   15.6031059097922       split increased to            2  itime      852761 
   itsplit           1
- acceleration/energy drift too large   5.95949565467637     
-   10.6248777300233       split increased to            2  itime      853884 
+ acceleration/energy drift too large   6.09133283299758     
+   19.8555633563983       split increased to            2  itime      854979 
   itsplit           1
- acceleration/energy drift too large   3.26235958616251     
-   16.2382768100874       split increased to            2  itime      855866 
+ acceleration/energy drift too large   3.29060199291763     
+   13.0109398182878       split increased to            2  itime      856327 
   itsplit           1
- acceleration/energy drift too large   3.25510265633719     
-   10.1902083423158       split increased to            2  itime      859189 
+ acceleration/energy drift too large   5.42684472176758     
+   15.2348467137553       split increased to            2  itime      857245 
   itsplit           1
- acceleration/energy drift too large   5.65513832043211     
-   17.2685971855113       split increased to            2  itime      859699 
+ acceleration/energy drift too large   6.58400124516784     
+   20.3796919761434       split increased to            2  itime      859603 
   itsplit           1
 Velocities reset to random values, time           171999.80
- acceleration/energy drift too large   4.55273828947972     
-   12.9405242204499       split increased to            2  itime      860026 
+ acceleration/energy drift too large   4.80220914999480     
+   10.1339151576946       split increased to            2  itime      860051 
   itsplit           1
- acceleration/energy drift too large   4.03859991980701     
-   17.6384616027247       split increased to            2  itime      860805 
+ acceleration/energy drift too large   5.61406210317378     
+   13.1287090195770       split increased to            2  itime      862241 
   itsplit           1
- acceleration/energy drift too large   5.44533236395329     
-   11.9900874412947       split increased to            2  itime      863611 
+ acceleration/energy drift too large   8.68857308572128     
+   35.3468372891964       split increased to            2  itime      862544 
   itsplit           1
- acceleration/energy drift too large   8.41220129370948     
-   27.6507273707973       split increased to            2  itime      866267 
+ acceleration/energy drift too large   7.72016803392450     
+   34.0202217339789       split increased to            2  itime      863102 
   itsplit           1
- acceleration/energy drift too large  0.901120329823053     
-   10.9070219855306       split increased to            2  itime      866934 
+ acceleration/energy drift too large   4.46722802391829     
+   20.6389178636878       split increased to            2  itime      864411 
   itsplit           1
- acceleration/energy drift too large   4.97754816713980     
-   28.8852847503531       split increased to            2  itime      867373 
+ acceleration/energy drift too large   4.26167219403029     
+   17.7515715413730       split increased to            2  itime      865334 
   itsplit           1
-Velocities reset to random values, time           173999.80
- acceleration/energy drift too large   2.18828827910352     
-   18.1507258758246       split increased to            2  itime      870319 
+ acceleration/energy drift too large   4.22973432515897     
+   15.7119262696159       split increased to            2  itime      865360 
   itsplit           1
- acceleration/energy drift too large   6.46640532644212     
-   17.8239652571664       split increased to            2  itime      870430 
+ acceleration/energy drift too large   3.42514822772696     
+   28.5112804028908       split increased to            2  itime      865600 
   itsplit           1
- acceleration/energy drift too large   5.06817053721608     
-   19.8416639824450       split increased to            2  itime      870780 
+ acceleration/energy drift too large   7.56665436731381     
+   13.8427274354859       split increased to            2  itime      866445 
   itsplit           1
- acceleration/energy drift too large   8.92245620926862     
-   44.0746396569052       split increased to            2  itime      871450 
+ acceleration/energy drift too large   5.75578779139162     
+   16.2833218762952       split increased to            2  itime      866518 
   itsplit           1
- acceleration/energy drift too large   5.95504823482435     
-   15.9788176144003       split increased to            2  itime      871749 
+ acceleration/energy drift too large   14.1661847765509     
+   76.8908589401424       split increased to            2  itime      866547 
   itsplit           1
- acceleration/energy drift too large   4.77300230775419     
-   36.2175623199170       split increased to            2  itime      872939 
+ acceleration/energy drift too large   4.76568051040051     
+   17.5682634591496       split increased to            2  itime      866640 
   itsplit           1
- acceleration/energy drift too large   2.63602987384130     
-   10.7759426883458       split increased to            2  itime      873242 
+ acceleration/energy drift too large   3.61741601860296     
+   14.7319553745138       split increased to            2  itime      866664 
   itsplit           1
- acceleration/energy drift too large   5.65448353432216     
-   24.8240118446221       split increased to            2  itime      873345 
+ acceleration/energy drift too large   4.23149370106149     
+   11.2728063972302       split increased to            2  itime      867981 
   itsplit           1
- acceleration/energy drift too large   5.76813687672142     
-   13.0981273794735       split increased to            2  itime      875134 
+ acceleration/energy drift too large   4.37261015614908     
+   16.2752457006339       split increased to            2  itime      868277 
   itsplit           1
- acceleration/energy drift too large   6.98649268730153     
-   27.0308322258294       split increased to            2  itime      875734 
+ acceleration/energy drift too large   5.39311996656503     
+   14.8284667670240       split increased to            2  itime      868886 
   itsplit           1
- acceleration/energy drift too large   2.65805090178710     
-   10.4209346179988       split increased to            2  itime      875735 
+ acceleration/energy drift too large   6.42637114225298     
+   25.3752062598473       split increased to            2  itime      869480 
   itsplit           1
- acceleration/energy drift too large   7.17093022152299     
-   53.0458430838626       split increased to            2  itime      875766 
+ acceleration/energy drift too large   3.61218759810998     
+   10.1041583750837       split increased to            2  itime      869842 
   itsplit           1
- acceleration/energy drift too large   3.57869325422669     
-   11.2243184077936       split increased to            2  itime      875835 
+Velocities reset to random values, time           173999.80
+ acceleration/energy drift too large   5.26224574508002     
+   13.9609489980110       split increased to            2  itime      870684 
   itsplit           1
- acceleration/energy drift too large   4.25936442577975     
-   16.4397413493135       split increased to            2  itime      875841 
+ acceleration/energy drift too large   4.58902038030952     
+   15.1875174577019       split increased to            2  itime      873573 
   itsplit           1
- acceleration/energy drift too large   5.14059276487108     
-   20.3488899269363       split increased to            2  itime      876135 
+ acceleration/energy drift too large   13.9613658556561     
+   89.6770171184682       split increased to            2  itime      876474 
   itsplit           1
- acceleration/energy drift too large   5.49959218092088     
-   10.7763260335624       split increased to            2  itime      877620 
+ acceleration/energy drift too large   5.19745848633278     
+   13.5552548236322       split increased to            2  itime      876664 
   itsplit           1
- acceleration/energy drift too large   4.11430508825666     
-   17.2593216404412       split increased to            2  itime      877960 
+ acceleration/energy drift too large   7.21262992004234     
+   26.1162178372731       split increased to            2  itime      878940 
   itsplit           1
- acceleration/energy drift too large   1.96618270978794     
-   10.7548500267240       split increased to            2  itime      878944 
+ acceleration/energy drift too large   3.19181255264547     
+   26.8749444803355       split increased to            2  itime      879426 
   itsplit           1
 Velocities reset to random values, time           175999.80
- acceleration/energy drift too large   4.50085696255361     
-   17.1931603173068       split increased to            2  itime      880039 
-  itsplit           1
- acceleration/energy drift too large   5.07920195263373     
-   20.5566095602744       split increased to            2  itime      880612 
-  itsplit           1
- acceleration/energy drift too large   2.14885614361353     
-   12.1712072961552       split increased to            2  itime      880613 
-  itsplit           1
- acceleration/energy drift too large   4.09490233827386     
-   13.2227447597963       split increased to            2  itime      881297 
-  itsplit           1
- acceleration/energy drift too large   2.76121466136139     
-   12.4162432832061       split increased to            2  itime      888117 
-  itsplit           1
- acceleration/energy drift too large   5.09152574597872     
-   10.2458406228725       split increased to            2  itime      888138 
-  itsplit           1
- acceleration/energy drift too large   7.02118940801007     
-   10.5035774001151       split increased to            2  itime      888140 
-  itsplit           1
- acceleration/energy drift too large   4.54600941673804     
-   13.9277090465177       split increased to            2  itime      888141 
-  itsplit           1
- acceleration/energy drift too large   4.04621132710032     
-   11.0054131226153       split increased to            2  itime      888148 
-  itsplit           1
- acceleration/energy drift too large   5.71542332415581     
-   10.8827154294570       split increased to            2  itime      888152 
-  itsplit           1
- acceleration/energy drift too large   5.75314403383777     
-   10.5890996973347       split increased to            2  itime      888156 
+ acceleration/energy drift too large   3.06977792748143     
+   10.9931982294421       split increased to            2  itime      880666 
   itsplit           1
- acceleration/energy drift too large   3.75198758194863     
-   12.0991477593957       split increased to            2  itime      888164 
+ acceleration/energy drift too large   2.75694849461784     
+   11.7667639269563       split increased to            2  itime      882687 
   itsplit           1
- acceleration/energy drift too large   4.98201572366295     
-   10.3043516043652       split increased to            2  itime      888168 
+ acceleration/energy drift too large   2.09375992110116     
+   12.8053419691018       split increased to            2  itime      882743 
   itsplit           1
- acceleration/energy drift too large   2.95268066476644     
-   11.1474938133876       split increased to            2  itime      888180 
+ acceleration/energy drift too large   7.06028544458109     
+   23.8162294557140       split increased to            2  itime      884464 
   itsplit           1
- acceleration/energy drift too large   5.12665800830734     
-   11.7955945361376       split increased to            2  itime      888181 
+ acceleration/energy drift too large   4.64639653219010     
+   17.7407870408273       split increased to            2  itime      884469 
   itsplit           1
- acceleration/energy drift too large   3.83618216349276     
-   17.8826854046009       split increased to            2  itime      888920 
+ acceleration/energy drift too large   7.70312672473051     
+   16.5990540034600       split increased to            2  itime      885812 
   itsplit           1
- acceleration/energy drift too large   5.72625734108303     
-   16.5623128668462       split increased to            2  itime      889044 
+ acceleration/energy drift too large   10.5966941671069     
+   56.4906800020849       split increased to            2  itime      887024 
   itsplit           1
- acceleration/energy drift too large   4.35445521093365     
-   13.4739248517020       split increased to            2  itime      889335 
+ acceleration/energy drift too large   4.52503097126906     
+   10.1162669551670       split increased to            2  itime      887317 
   itsplit           1
 Velocities reset to random values, time           177999.80
- acceleration/energy drift too large   7.97081285029943     
-   20.2934538235427       split increased to            2  itime      890899 
+ acceleration/energy drift too large   8.69619961973597     
+   34.2998760748367       split increased to            2  itime      893460 
   itsplit           1
- acceleration/energy drift too large   14.1946885697873     
-   79.8953940515239       split increased to            2  itime      890977 
+ acceleration/energy drift too large   4.81374567429138     
+   21.4606246013860       split increased to            2  itime      894160 
   itsplit           1
- acceleration/energy drift too large   6.59195788304317     
-   15.1725048027940       split increased to            2  itime      893493 
+ acceleration/energy drift too large   6.40577581382601     
+   18.0537684065880       split increased to            2  itime      895597 
   itsplit           1
- acceleration/energy drift too large   3.61112281189922     
-   23.1225582308175       split increased to            2  itime      894915 
+ acceleration/energy drift too large   8.92645731056566     
+   41.9458186500683       split increased to            2  itime      896355 
   itsplit           1
- acceleration/energy drift too large   5.15346064609156     
-   11.9135346954492       split increased to            2  itime      895700 
-  itsplit           1
- acceleration/energy drift too large   11.0643854172652     
-   46.9783643057636       split increased to            2  itime      896457 
-  itsplit           1
- acceleration/energy drift too large   7.90367358684655     
-   20.7030618150979       split increased to            2  itime      896573 
-  itsplit           1
- acceleration/energy drift too large   4.47835540551316     
-   16.2728575005891       split increased to            2  itime      896672 
-  itsplit           1
- acceleration/energy drift too large   2.68342279807970     
-   10.1776027311715       split increased to            2  itime      896923 
-  itsplit           1
- acceleration/energy drift too large   5.86776394986179     
-   18.0743341443649       split increased to            2  itime      898063 
+ acceleration/energy drift too large   7.61581689275868     
+   20.6076007994704       split increased to            2  itime      898012 
   itsplit           1
 Velocities reset to random values, time           179999.80
  REMD synchro at      900000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   292.386718750000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD gather times=   369.171875000000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.22222    9
-ACC   2   260.00000     0.33333    9
-ACC   3   270.00000     0.11111    9
-ACC   4   280.00000     0.44444    9
-ACC   5   290.00000     0.44444    9
-ACC   6   300.00000     0.77778    9
-ACC   7   310.00000     0.66667    9
+ACC   1   250.00000     0.44444    9
+ACC   2   260.00000     0.11111    9
+ACC   3   270.00000     0.66667    9
+ACC   4   280.00000     0.33333    9
+ACC   5   290.00000     0.88889    9
+ACC   6   300.00000     0.55556    9
+ACC   7   310.00000     0.44444    9
 ACC   8   320.00000     0.55556    9
-ACC   9   330.00000     0.66667    9
-ACC  10   340.00000     0.55556    9
-ACC  11   350.00000     0.66667    9
-ACC  12   360.00000     1.00000    9
-ACC  13   370.00000     1.00000    9
-ACC  14   380.00000     0.77778    9
-ACC  15   390.00000     1.00000    9
+ACC   9   330.00000     0.55556    9
+ACC  10   340.00000     0.77778    9
+ACC  11   350.00000     0.55556    9
+ACC  12   360.00000     0.88889    9
+ACC  13   370.00000     0.88889    9
+ACC  14   380.00000     1.00000    9
+ACC  15   390.00000     0.66667    9
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   5.46795202394077     
-   12.4053107604193       split increased to            2  itime      900433 
-  itsplit           1
- acceleration/energy drift too large   5.50109499622398     
-   11.4962217826986       split increased to            2  itime      900968 
-  itsplit           1
- acceleration/energy drift too large   10.0442041840859     
-   44.4184851121257       split increased to            2  itime      904487 
+ acceleration/energy drift too large   8.05481103337943     
+   31.1250684426175       split increased to            2  itime      900965 
   itsplit           1
- acceleration/energy drift too large   7.67413303359464     
-   18.9150313032399       split increased to            2  itime      904606 
+ acceleration/energy drift too large   2.61701571818722     
+   11.2523407808492       split increased to            2  itime      901069 
   itsplit           1
- acceleration/energy drift too large   6.51226175435724     
-   11.9513327865067       split increased to            2  itime      904973 
+ acceleration/energy drift too large   5.02527464245620     
+   30.8075250634187       split increased to            2  itime      902459 
   itsplit           1
- acceleration/energy drift too large   6.66077199516070     
-   25.5556665753005       split increased to            2  itime      907507 
+ acceleration/energy drift too large   3.63754398330254     
+   13.0323950177681       split increased to            2  itime      905694 
   itsplit           1
- acceleration/energy drift too large   5.67642823651232     
-   12.4686849709379       split increased to            2  itime      909063 
+ acceleration/energy drift too large   5.15769862220467     
+   20.1188377501454       split increased to            2  itime      909430 
   itsplit           1
- acceleration/energy drift too large   5.18693284879895     
-   14.5965583171698       split increased to            2  itime      909471 
-  itsplit           1
- acceleration/energy drift too large   5.47728232916030     
-   10.8508838339532       split increased to            2  itime      909558 
-  itsplit           1
- acceleration/energy drift too large   9.85406291183883     
-   42.8358522754478       split increased to            2  itime      909676 
+ acceleration/energy drift too large   7.64897381808747     
+   43.5816957290465       split increased to            2  itime      909945 
   itsplit           1
 Velocities reset to random values, time           181999.80
- acceleration/energy drift too large   6.30436371066556     
-   30.0892844964180       split increased to            2  itime      910447 
-  itsplit           1
- acceleration/energy drift too large   5.73693858360652     
-   11.7229739097340       split increased to            2  itime      911884 
+ acceleration/energy drift too large   6.43965794544967     
+   19.4895452720833       split increased to            2  itime      915325 
   itsplit           1
- acceleration/energy drift too large   5.16232019272427     
-   16.5271023396916       split increased to            2  itime      912425 
+ acceleration/energy drift too large   3.57245023717684     
+   12.2804834660481       split increased to            2  itime      917812 
   itsplit           1
- acceleration/energy drift too large   7.35318443512268     
-   24.4559052197462       split increased to            2  itime      913148 
+ acceleration/energy drift too large   2.76618512052184     
+   16.0797115374640       split increased to            2  itime      918571 
   itsplit           1
- acceleration/energy drift too large   4.85116064547893     
-   22.9025039623007       split increased to            2  itime      914518 
+ acceleration/energy drift too large   3.93706142966390     
+   13.8735354497499       split increased to            2  itime      918967 
   itsplit           1
- acceleration/energy drift too large   4.70781399946207     
-   11.3487926243905       split increased to            2  itime      915527 
-  itsplit           1
- acceleration/energy drift too large   6.63713898189145     
-   18.7681723616435       split increased to            2  itime      919191 
+ acceleration/energy drift too large   5.55311303360152     
+   10.7282234186528       split increased to            2  itime      919348 
   itsplit           1
 Velocities reset to random values, time           183999.80
- acceleration/energy drift too large   3.10581594273183     
-   10.8007075949841       split increased to            2  itime      920254 
+ acceleration/energy drift too large   2.69169427088324     
+   11.0914612938132       split increased to            2  itime      920811 
   itsplit           1
- acceleration/energy drift too large   12.8789227743900     
-   72.0207941837624       split increased to            2  itime      920479 
+ acceleration/energy drift too large   6.22566156787866     
+   15.1582361098060       split increased to            2  itime      921276 
   itsplit           1
- acceleration/energy drift too large   5.56570722995958     
-   12.0881812892180       split increased to            2  itime      920581 
+ acceleration/energy drift too large   2.98890256972757     
+   11.1881202362247       split increased to            2  itime      921277 
   itsplit           1
- acceleration/energy drift too large   4.67246787522468     
-   11.7478761321492       split increased to            2  itime      921108 
+ acceleration/energy drift too large   5.27814141151621     
+   10.6341631584489       split increased to            2  itime      925823 
   itsplit           1
- acceleration/energy drift too large   5.51087434466140     
-   35.7468755102351       split increased to            2  itime      921134 
+ acceleration/energy drift too large   5.81284524109278     
+   24.5891252197165       split increased to            2  itime      927653 
   itsplit           1
- acceleration/energy drift too large   4.24961766761127     
-   11.6203021960735       split increased to            2  itime      921167 
+ acceleration/energy drift too large   5.48119060386932     
+   10.8480485065602       split increased to            2  itime      927898 
   itsplit           1
- acceleration/energy drift too large   4.65288297463304     
-   14.8450931629441       split increased to            2  itime      922733 
+ acceleration/energy drift too large   8.51979883796464     
+   42.4999980680505       split increased to            2  itime      928346 
   itsplit           1
- acceleration/energy drift too large   5.51132950579083     
-   10.7816062217321       split increased to            2  itime      924729 
+Velocities reset to random values, time           185999.80
+ acceleration/energy drift too large   4.80529118356420     
+   25.2031100504070       split increased to            2  itime      930834 
   itsplit           1
- acceleration/energy drift too large   4.45155983053948     
-   29.7470128534273       split increased to            2  itime      925076 
+ acceleration/energy drift too large   5.02860584553965     
+   12.7568458295912       split increased to            2  itime      931692 
   itsplit           1
- acceleration/energy drift too large   9.75664801627854     
-   41.3883303482626       split increased to            2  itime      925972 
+ acceleration/energy drift too large   4.89229708246707     
+   12.5377126475266       split increased to            2  itime      932447 
   itsplit           1
- acceleration/energy drift too large   4.33451815599813     
-   12.5405886707434       split increased to            2  itime      926710 
+ acceleration/energy drift too large   4.55470478641012     
+   12.4519867462869       split increased to            2  itime      934346 
   itsplit           1
- acceleration/energy drift too large   5.32582042388224     
-   13.5872876149547       split increased to            2  itime      927327 
+ acceleration/energy drift too large   4.69468097998586     
+   11.9087258610449       split increased to            2  itime      934689 
   itsplit           1
- acceleration/energy drift too large   6.39968685125883     
-   14.5480442498535       split increased to            2  itime      927870 
+ acceleration/energy drift too large   3.18264593449796     
+   11.0633353061993       split increased to            2  itime      934793 
   itsplit           1
- acceleration/energy drift too large   1.74141356534464     
-   10.8669114056156       split increased to            2  itime      927886 
+ acceleration/energy drift too large   4.53434968843685     
+   24.6277881599707       split increased to            2  itime      935343 
   itsplit           1
- acceleration/energy drift too large   4.94208842148299     
-   18.0076923279581       split increased to            2  itime      929406 
+ acceleration/energy drift too large   4.90733753505980     
+   10.5255027704337       split increased to            2  itime      935641 
   itsplit           1
- acceleration/energy drift too large   6.05714344097599     
-   14.6650248944933       split increased to            2  itime      929785 
+ acceleration/energy drift too large   2.75682345103759     
+   19.4700407057487       split increased to            2  itime      936307 
   itsplit           1
-Velocities reset to random values, time           185999.80
- acceleration/energy drift too large   5.56584724752194     
-   10.8215121700184       split increased to            2  itime      930415 
+ acceleration/energy drift too large   4.60486379485938     
+   10.2498467363683       split increased to            2  itime      936429 
   itsplit           1
- acceleration/energy drift too large   5.48624404901165     
-   12.3240871251260       split increased to            2  itime      933700 
+ acceleration/energy drift too large   5.79733375322079     
+   24.1610180437751       split increased to            2  itime      937093 
   itsplit           1
- acceleration/energy drift too large   5.06849934390924     
-   11.3344859192855       split increased to            2  itime      935484 
+ acceleration/energy drift too large   5.51725381536469     
+   32.0439873409124       split increased to            2  itime      937975 
   itsplit           1
- acceleration/energy drift too large   2.93636987546305     
-   17.3638401539236       split increased to            2  itime      935833 
-  itsplit           1
- acceleration/energy drift too large   5.01506072770740     
-   12.1987550948904       split increased to            2  itime      939464 
+ acceleration/energy drift too large   6.51073858825441     
+   28.7804807643715       split increased to            2  itime      939602 
   itsplit           1
 Velocities reset to random values, time           187999.80
- acceleration/energy drift too large   7.74618902670613     
-   28.9633187201744       split increased to            2  itime      941504 
-  itsplit           1
- acceleration/energy drift too large   5.59782282452616     
-   22.1916551891740       split increased to            2  itime      945233 
+ acceleration/energy drift too large   4.69124760082540     
+   18.9492456626369       split increased to            2  itime      940209 
   itsplit           1
- acceleration/energy drift too large   4.50578472031163     
-   11.9501961544706       split increased to            2  itime      946321 
+ acceleration/energy drift too large   6.74917361811743     
+   26.4067228155295       split increased to            2  itime      940552 
   itsplit           1
- acceleration/energy drift too large   10.7277829490960     
-   36.9073502823179       split increased to            2  itime      946994 
+ acceleration/energy drift too large   2.30403830889995     
+   11.0353766604116       split increased to            2  itime      940553 
   itsplit           1
- acceleration/energy drift too large   6.92399126214235     
-   19.6217862894734       split increased to            2  itime      947130 
+ acceleration/energy drift too large   7.58938092984247     
+   22.9615923802984       split increased to            2  itime      942358 
   itsplit           1
- acceleration/energy drift too large   4.44413427051592     
-   11.1965624469534       split increased to            2  itime      947379 
+ acceleration/energy drift too large   2.76641659989110     
+   14.3964130983322       split increased to            2  itime      942788 
   itsplit           1
 Velocities reset to random values, time           189999.80
- acceleration/energy drift too large   7.95170900010183     
-   16.0403857853207       split increased to            2  itime      956953 
-  itsplit           1
-Velocities reset to random values, time           191999.80
- acceleration/energy drift too large   3.88227067437058     
-   12.3818961742087       split increased to            2  itime      962441 
-  itsplit           1
- acceleration/energy drift too large   1.91940650863044     
-   10.9909115308605       split increased to            2  itime      962586 
+ acceleration/energy drift too large   6.58530653390531     
+   22.4859420632773       split increased to            2  itime      953719 
   itsplit           1
- acceleration/energy drift too large   5.07543071705197     
-   17.9752152130500       split increased to            2  itime      963761 
+ acceleration/energy drift too large   2.20946495883106     
+   11.2370277953960       split increased to            2  itime      953862 
   itsplit           1
- acceleration/energy drift too large   7.32558398952722     
-   24.1541787607772       split increased to            2  itime      965923 
+ acceleration/energy drift too large   5.02444840583848     
+   16.0241584872741       split increased to            2  itime      955055 
   itsplit           1
- acceleration/energy drift too large   6.29291139990231     
-   14.9733999594814       split increased to            2  itime      967005 
-  itsplit           1
- acceleration/energy drift too large   5.42351278756249     
-   11.8073304271930       split increased to            2  itime      968426 
-  itsplit           1
-Velocities reset to random values, time           193999.80
- acceleration/energy drift too large   5.26392357973576     
-   14.3438652882825       split increased to            2  itime      970276 
-  itsplit           1
- acceleration/energy drift too large   7.10056378156876     
-   21.0815361545108       split increased to            2  itime      971091 
-  itsplit           1
- acceleration/energy drift too large   7.00204377159050     
-   33.9545951206751       split increased to            2  itime      971273 
+Velocities reset to random values, time           191999.80
+ acceleration/energy drift too large   2.10299074366612     
+   19.5004738340991       split increased to            2  itime      960574 
   itsplit           1
- acceleration/energy drift too large   5.09513342266119     
-   11.7213418980924       split increased to            2  itime      971299 
+ acceleration/energy drift too large   5.41995275991857     
+   17.5218697503181       split increased to            2  itime      961110 
   itsplit           1
- acceleration/energy drift too large   4.30359656078966     
-   14.0888901984776       split increased to            2  itime      971356 
+ acceleration/energy drift too large   11.9102885387065     
+   71.0034174953536       split increased to            2  itime      965692 
   itsplit           1
- acceleration/energy drift too large   2.58733577733941     
-   10.1340104061563       split increased to            2  itime      972543 
+ acceleration/energy drift too large   11.1274389276124     
+   65.4047394032986       split increased to            2  itime      966331 
   itsplit           1
- acceleration/energy drift too large   7.04853762090654     
-   21.7997432260659       split increased to            2  itime      973980 
+ acceleration/energy drift too large   4.24867145405369     
+   12.0764923969973       split increased to            2  itime      966904 
   itsplit           1
- acceleration/energy drift too large   2.54390496908168     
-   15.2648117306652       split increased to            2  itime      974948 
+ acceleration/energy drift too large   3.82817695875608     
+   10.1489345125422       split increased to            2  itime      966955 
   itsplit           1
- acceleration/energy drift too large   5.22808569483512     
-   20.0312195239320       split increased to            2  itime      975412 
+ acceleration/energy drift too large   7.47896016748512     
+   27.6262383698179       split increased to            2  itime      968640 
   itsplit           1
- acceleration/energy drift too large   12.8049007615437     
-   76.6612572857203       split increased to            2  itime      975689 
+Velocities reset to random values, time           193999.80
+ acceleration/energy drift too large   3.94393782285029     
+   10.5862614622132       split increased to            2  itime      972125 
   itsplit           1
- acceleration/energy drift too large   9.75237524437588     
-   40.9913114743635       split increased to            2  itime      977521 
+ acceleration/energy drift too large   5.76091206616941     
+   11.5268674559521       split increased to            2  itime      975965 
   itsplit           1
- acceleration/energy drift too large   5.55151145797565     
-   10.5312927001477       split increased to            2  itime      978203 
+ acceleration/energy drift too large   5.71679793282402     
+   14.0795604230499       split increased to            2  itime      977564 
   itsplit           1
- acceleration/energy drift too large   2.93913685715332     
-   17.6046835348518       split increased to            2  itime      979937 
+ acceleration/energy drift too large   3.62396320322734     
+   28.6225936301255       split increased to            2  itime      979056 
   itsplit           1
 Velocities reset to random values, time           195999.80
- acceleration/energy drift too large   7.54353338169035     
-   22.8244577386226       split increased to            2  itime      981896 
+ acceleration/energy drift too large   4.18453503321953     
+   11.0635650122307       split increased to            2  itime      980017 
   itsplit           1
- acceleration/energy drift too large   4.13452104677707     
-   10.1160485726259       split increased to            2  itime      986603 
+ acceleration/energy drift too large   7.73835889693810     
+   24.2414778992307       split increased to            2  itime      980985 
   itsplit           1
- acceleration/energy drift too large   6.03543947294234     
-   23.2989464543245       split increased to            2  itime      986669 
+ acceleration/energy drift too large   12.3730317994160     
+   71.8787411639125       split increased to            2  itime      981576 
   itsplit           1
- acceleration/energy drift too large   7.92798677691667     
-   30.0388009219789       split increased to            2  itime      988554 
+ acceleration/energy drift too large   1.75743579269170     
+   12.6933438961326       split increased to            2  itime      983419 
   itsplit           1
- acceleration/energy drift too large   5.31692501678335     
-   13.8512760187820       split increased to            2  itime      989957 
+ acceleration/energy drift too large   6.32615527831737     
+   17.2147332675926       split increased to            2  itime      985069 
   itsplit           1
 Velocities reset to random values, time           197999.80
- acceleration/energy drift too large   7.15836158292127     
-   25.7357034270101       split increased to            2  itime      991444 
-  itsplit           1
- acceleration/energy drift too large   5.74650167122276     
-   10.9649190029274       split increased to            2  itime      992540 
-  itsplit           1
- acceleration/energy drift too large   8.74458295681060     
-   33.2793340322996       split increased to            2  itime      993962 
-  itsplit           1
- acceleration/energy drift too large   12.8512992637313     
-   65.7288487992138       split increased to            2  itime      994516 
-  itsplit           1
- acceleration/energy drift too large   4.81937959442598     
-   12.5280390905933       split increased to            2  itime      994887 
+ acceleration/energy drift too large   6.26052207476379     
+   18.1020521060995       split increased to            2  itime      991330 
   itsplit           1
- acceleration/energy drift too large   6.33559315789479     
-   28.5393789350739       split increased to            2  itime      995588 
+ acceleration/energy drift too large   4.67394120722699     
+   10.8622066679894       split increased to            2  itime      994289 
   itsplit           1
- acceleration/energy drift too large   4.72205985443675     
-   12.6198064878400       split increased to            2  itime      996874 
+ acceleration/energy drift too large   5.22911240035505     
+   12.3138345895850       split increased to            2  itime      995212 
   itsplit           1
- acceleration/energy drift too large   7.47385327641237     
-   22.6954561670628       split increased to            2  itime      998506 
+ acceleration/energy drift too large   6.33230397412798     
+   16.8702364297813       split increased to            2  itime      996909 
   itsplit           1
- acceleration/energy drift too large   3.91779725444293     
-   23.2915438916753       split increased to            2  itime      998545 
+ acceleration/energy drift too large   4.53146621264599     
+   18.1733607039933       split increased to            2  itime      998421 
   itsplit           1
 Velocities reset to random values, time           199999.80
  REMD synchro at     1000000
@@ -3641,13 +3317,13 @@ Velocities reset to random values, time           199999.80
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.08043E+02
+                  MD calculations setup:    1.17188E-02
+           Energy & gradient evaluation:    3.75598E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.25070E+02
+                               MD steps:    4.09824E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   325.085937500000       sec
+ Total wall clock time   409.886718750000       sec
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB000.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB000.stat
index 0683d05..194da08 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB000.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB000.stat
@@ -1,101 +1,101 @@
          0           0.00      26.352      24.996      51.347  12.87 0.000   NaN   NaN 0.711     239.075     250.000      15.552    0 
-     10000        2000.00      18.767     -33.435     -14.669   3.82 0.286 0.667 0.314 0.943     170.260     250.000       6.777    0 
-     20000        4000.00      32.934     -50.774     -17.840   3.39 0.429 0.647 0.385 2.753     298.793     250.000       6.477    0 
-     30000        6000.00      29.157     -62.231     -33.075   3.12 0.429 0.667 0.361 1.345     264.525     250.000       6.191    0 
-     40000        8000.00      24.589     -61.512     -36.923   3.03 0.571 0.636 0.324 1.688     223.086     250.000       6.135    0 
-     50000       10000.00      22.408     -56.904     -34.497   2.56 0.286 0.733 0.264 2.482     203.293     250.000       6.334    0 
-     60000       12000.00      25.620     -61.398     -35.777   1.55 0.571 0.579 0.304 1.393     232.442     250.000       6.642    0 
-     70000       14000.00      27.895     -53.612     -25.717   2.22 0.429 0.571 0.295 0.969     253.075     250.000       6.543    0 
-     80000       16000.00      29.982     -50.194     -20.212   2.03 0.429 0.538 0.280 2.278     272.013     250.000       6.553    0 
-     90000       18000.00      20.137     -54.367     -34.231   2.47 0.357 0.615 0.245 0.895     182.689     250.000       6.596    0 
-    100000       20000.00      21.011     -62.403     -41.392   2.36 0.500 0.500 0.295 0.597     190.620     250.000       6.391    0 
-    110000       22000.00      29.350     -55.246     -25.897   2.33 0.500 0.588 0.275 1.451     266.275     250.000       6.648    0 
-    120000       24000.00      30.876     -59.880     -29.004   2.75 0.429 0.684 0.273 1.344     280.122     250.000       6.613    0 
-    130000       26000.00      28.095     -54.044     -25.949   2.91 0.500 0.632 0.301 1.531     254.890     250.000       6.617    0 
-    140000       28000.00      24.702     -57.910     -33.208   2.66 0.500 0.562 0.290 1.295     224.109     250.000       6.498    0 
-    150000       30000.00      26.893     -46.871     -19.978   4.07 0.357 0.722 0.268 1.927     243.983     250.000       6.324    0 
-    160000       32000.00      27.557     -58.401     -30.845   2.41 0.429 0.500 0.201 1.543     250.008     250.000       6.549    0 
-    170000       34000.00      30.360     -49.229     -18.870   3.02 0.357 0.706 0.318 1.325     275.437     250.000       6.588    0 
-    180000       36000.00      21.887     -64.631     -42.744   3.54 0.357 0.762 0.353 1.655     198.573     250.000       6.227    0 
-    190000       38000.00      20.757     -53.773     -33.016   3.38 0.429 0.684 0.258 2.466     188.316     250.000       6.364    0 
-    200000       40000.00      23.426     -57.202     -33.776   3.36 0.429 0.625 0.295 1.588     212.534     250.000       6.753    0 
-    210000       42000.00      31.018     -41.523     -10.504   2.45 0.500 0.588 0.313 1.124     281.415     270.000       6.423    0 
-    220000       44000.00      27.943     -39.494     -11.551   4.17 0.429 0.600 0.321 1.776     253.515     270.000       6.526    0 
-    230000       46000.00      28.729     -32.929      -4.200   4.59 0.286 0.667 0.254 1.638     260.643     270.000       7.050    0 
-    240000       48000.00      21.594     -45.625     -24.031   3.69 0.214 0.786 0.256 1.614     195.909     270.000       6.434    0 
-    250000       50000.00      28.225     -45.319     -17.094   3.14 0.357 0.444 0.293 1.785     256.072     270.000       6.838    0 
-    260000       52000.00      30.240     -49.961     -19.721   2.32 0.357 0.643 0.185 1.941     274.354     270.000       7.075    0 
-    270000       54000.00      30.446     -46.434     -15.988   2.63 0.571 0.500 0.273 1.791     276.223     270.000       6.659    0 
-    280000       56000.00      25.179     -46.552     -21.373   2.74 0.429 0.600 0.306 1.239     228.434     270.000       6.885    0 
-    290000       58000.00      24.140     -55.892     -31.752   5.35 0.357 0.706 0.278 1.357     219.011     270.000       6.727    0 
-    300000       60000.00      25.498     -47.008     -21.510   6.77 0.429 0.625 0.202 2.357     231.332     270.000       7.088    0 
-    310000       62000.00      25.598     -42.628     -17.030   6.31 0.214 0.800 0.273 2.695     232.241     270.000       6.882    0 
-    320000       64000.00      19.162     -46.620     -27.458   4.89 0.357 0.615 0.266 1.480     173.844     270.000       6.732    0 
-    330000       66000.00      24.149     -34.350     -10.201   5.26 0.357 0.643 0.279 2.693     219.095     270.000       6.628    0 
-    340000       68000.00      23.096     -47.722     -24.625   6.34 0.286 0.600 0.218 3.228     209.542     270.000       7.739    0 
-    350000       70000.00      25.802     -47.671     -21.869   6.24 0.214 0.769 0.297 2.548     234.086     270.000       6.969    0 
-    360000       72000.00      27.574     -48.912     -21.337   3.98 0.286 0.667 0.314 1.242     250.169     270.000       6.841    0 
-    370000       74000.00      24.540     -43.361     -18.821   4.09 0.214 0.727 0.335 1.101     222.639     270.000       6.643    0 
-    380000       76000.00      19.055     -47.450     -28.395   5.26 0.143 0.818 0.231 1.975     172.876     270.000       7.060    0 
-    390000       78000.00      26.783     -40.814     -14.030   4.76 0.429 0.625 0.293 1.197     242.992     270.000       6.563    0 
-    400000       80000.00      21.865     -37.676     -15.811   5.75 0.214 0.786 0.325 1.461     198.370     270.000       6.507    0 
-    410000       82000.00      32.309     -41.400      -9.091   5.23 0.429 0.538 0.269 1.523     293.123     270.000       6.770    0 
-    420000       84000.00      32.704     -50.880     -18.176   5.82 0.286 0.714 0.260 1.336     296.707     270.000       6.455    0 
-    430000       86000.00      30.365     -44.210     -13.846   5.31 0.214 0.769 0.280 1.051     275.485     270.000       6.925    0 
-    440000       88000.00      24.055     -35.864     -11.809   3.81 0.286 0.600 0.264 1.099     218.240     270.000       7.424    0 
-    450000       90000.00      28.722     -48.346     -19.624   3.26 0.286 0.733 0.221 2.037     260.584     270.000       7.045    0 
-    460000       92000.00      29.832     -43.353     -13.521   5.70 0.214 0.824 0.337 2.008     270.650     270.000       6.670    0 
-    470000       94000.00      25.899     -44.190     -18.291   5.87 0.214 0.800 0.309 2.506     234.968     270.000       6.850    0 
-    480000       96000.00      27.672     -48.869     -21.197   5.67 0.214 0.786 0.299 1.588     251.059     270.000       6.560    0 
-    490000       98000.00      31.362     -52.347     -20.985   5.38 0.286 0.600 0.241 1.578     284.536     270.000       6.918    0 
-    500000      100000.00      21.554     -44.564     -23.009   4.91 0.357 0.500 0.186 1.782     195.550     270.000       7.919    0 
-    510000      102000.00      28.838     -47.913     -19.075   4.60 0.286 0.600 0.286 0.970     261.636     270.000       6.465    0 
-    520000      104000.00      26.173     -40.170     -13.997   5.85 0.214 0.786 0.347 2.272     237.456     270.000       6.685    0 
-    530000      106000.00      28.139     -49.823     -21.684   4.78 0.214 0.750 0.360 2.374     255.289     270.000       6.882    0 
-    540000      108000.00      33.123     -46.165     -13.042   4.96 0.214 0.727 0.314 1.399     300.513     270.000       6.933    0 
-    550000      110000.00      30.102     -50.559     -20.456   5.09 0.214 0.769 0.294 1.339     273.105     270.000       6.487    0 
-    560000      112000.00      27.398     -42.439     -15.042   5.50 0.214 0.667 0.227 1.752     248.565     270.000       7.201    0 
-    570000      114000.00      25.655     -45.467     -19.813   4.90 0.214 0.727 0.318 1.291     232.752     270.000       7.067    0 
-    580000      116000.00      22.201     -42.301     -20.100   3.97 0.214 0.667 0.202 1.756     201.423     270.000       7.300    0 
-    590000      118000.00      25.496     -56.987     -31.492   4.56 0.214 0.800 0.324 1.874     231.311     270.000       6.686    0 
-    600000      120000.00      27.242     -46.197     -18.956   4.20 0.429 0.455 0.194 1.181     247.152     270.000       7.892    0 
-    610000      122000.00      29.393     -36.918      -7.525   3.32 0.286 0.778 0.333 2.049     266.666     270.000       6.232    0 
-    620000      124000.00      21.073     -48.655     -27.582   3.07 0.357 0.615 0.255 1.416     191.183     270.000       6.793    0 
-    630000      126000.00      26.202     -45.213     -19.010   2.23 0.429 0.600 0.267 1.270     237.720     270.000       6.541    0 
-    640000      128000.00      32.314     -48.961     -16.646   2.88 0.357 0.706 0.307 2.296     293.172     270.000       6.843    0 
-    650000      130000.00      21.648     -47.534     -25.885   2.33 0.286 0.714 0.240 1.625     196.405     270.000       6.927    0 
-    660000      132000.00      29.983     -49.813     -19.830   3.22 0.357 0.667 0.294 1.257     272.024     270.000       6.827    0 
-    670000      134000.00      27.003     -58.910     -31.907   3.00 0.214 0.824 0.348 1.647     244.985     270.000       6.805    0 
-    680000      136000.00      26.027     -45.406     -19.380   3.31 0.214 0.727 0.293 2.714     236.129     270.000       6.978    0 
-    690000      138000.00      18.969     -37.961     -18.992   2.58 0.214 0.750 0.341 2.331     172.098     270.000       7.086    0 
-    700000      140000.00      25.434     -45.171     -19.736   3.61 0.143 0.750 0.193 1.973     230.754     270.000       7.518    0 
-    710000      142000.00      25.087     -46.121     -21.033   2.90 0.286 0.636 0.236 1.194     227.606     270.000       7.052    0 
-    720000      144000.00      28.618     -45.843     -17.225   3.02 0.214 0.700 0.232 1.787     259.638     270.000       7.350    0 
-    730000      146000.00      31.184     -47.045     -15.860   3.36 0.357 0.737 0.275 1.414     282.918     270.000       6.950    0 
-    740000      148000.00      24.965     -43.062     -18.097   5.34 0.143 0.800 0.200 1.860     226.496     270.000       7.817    0 
-    750000      150000.00      22.259     -42.869     -20.610   3.21 0.143 0.846 0.248 2.256     201.944     270.000       7.210    0 
-    760000      152000.00      20.186     -43.234     -23.049   3.04 0.286 0.636 0.244 1.080     183.136     270.000       7.034    0 
-    770000      154000.00      30.870     -47.752     -16.882   3.23 0.214 0.667 0.212 4.589     280.066     270.000       7.697    0 
-    780000      156000.00      27.942     -43.218     -15.276   3.46 0.357 0.583 0.223 2.312     253.508     270.000       7.399    0 
-    790000      158000.00      26.926     -46.921     -19.995   3.15 0.429 0.571 0.273 0.961     244.290     270.000       7.192    0 
-    800000      160000.00      23.762     -38.166     -14.404   4.00 0.357 0.500 0.223 1.346     215.584     270.000       6.868    0 
-    810000      162000.00      27.474     -40.239     -12.765   3.83 0.286 0.667 0.326 1.658     249.259     270.000       7.474    0 
-    820000      164000.00      27.167     -42.760     -15.593   3.88 0.500 0.462 0.378 2.070     246.473     270.000       7.484    0 
-    830000      166000.00      22.057     -42.596     -20.540   3.42 0.357 0.583 0.246 1.937     200.109     270.000       7.015    0 
-    840000      168000.00      22.567     -44.356     -21.789   3.18 0.214 0.667 0.217 1.855     204.737     270.000       7.733    0 
-    850000      170000.00      28.815     -34.559      -5.744   6.58 0.143 0.750 0.153 1.782     261.426     270.000       9.154    0 
-    860000      172000.00      24.135     -35.838     -11.704   6.42 0.143 0.750 0.210 1.559     218.961     270.000       8.867    0 
-    870000      174000.00      26.936     -40.570     -13.633   2.91 0.500 0.500 0.227 1.231     244.381     270.000       6.903    0 
-    880000      176000.00      28.663     -29.301      -0.638   3.45 0.357 0.545 0.211 2.136     260.048     270.000       7.747    0 
-    890000      178000.00      25.313     -38.930     -13.618   2.26 0.357 0.545 0.281 1.842     229.648     270.000       7.252    0 
-    900000      180000.00      24.762     -41.687     -16.925   3.21 0.286 0.733 0.364 1.512     224.657     270.000       7.082    0 
-    910000      182000.00      24.182     -54.855     -30.673   3.35 0.357 0.750 0.268 2.180     219.389     260.000       6.766    0 
-    920000      184000.00      19.101     -50.130     -31.029   3.28 0.357 0.643 0.240 0.973     173.297     260.000       7.319    0 
-    930000      186000.00      29.404     -48.419     -19.015   3.18 0.286 0.714 0.247 2.790     266.767     260.000       6.619    0 
-    940000      188000.00      23.072     -50.489     -27.417   3.33 0.143 0.818 0.244 1.240     209.322     260.000       6.908    0 
-    950000      190000.00      26.244     -46.217     -19.974   3.12 0.429 0.571 0.315 1.695     238.096     260.000       7.037    0 
-    960000      192000.00      22.717     -54.756     -32.039   2.97 0.286 0.818 0.343 1.245     206.100     260.000       6.596    0 
-    970000      194000.00      30.309     -48.570     -18.262   3.59 0.143 0.846 0.238 1.169     274.976     260.000       7.227    0 
-    980000      196000.00      21.458     -49.156     -27.697   3.32 0.286 0.600 0.250 1.449     194.682     260.000       7.138    0 
-    990000      198000.00      30.993     -53.250     -22.257   3.44 0.500 0.562 0.216 2.688     281.186     260.000       7.153    0 
-   1000000      200000.00      35.982     -53.599     -17.617   2.72 0.214 0.812 0.236 3.262     326.444     260.000       6.683    0 
+     10000        2000.00      22.203     -34.358     -12.156   5.74 0.143 0.800 0.355 1.330     201.435     250.000       8.639    0 
+     20000        4000.00      30.840     -26.930       3.910   5.73 0.143 0.667 0.220 1.379     279.793     250.000       8.599    0 
+     30000        6000.00      26.527     -54.844     -28.317   6.57 0.214 0.769 0.217 1.916     240.666     250.000       7.134    0 
+     40000        8000.00      27.830     -43.167     -15.337   4.69 0.357 0.667 0.218 1.879     252.488     250.000       6.718    0 
+     50000       10000.00      27.494     -43.577     -16.083   4.37 0.286 0.667 0.292 1.641     249.438     250.000       6.640    0 
+     60000       12000.00      24.788     -50.373     -25.586   4.64 0.429 0.667 0.293 1.724     224.886     250.000       6.411    0 
+     70000       14000.00      26.175     -54.587     -28.412   4.70 0.357 0.615 0.245 1.238     237.476     250.000       6.732    0 
+     80000       16000.00      30.921     -45.917     -14.995   5.13 0.286 0.667 0.250 1.369     280.536     250.000       6.959    0 
+     90000       18000.00      22.679     -55.173     -32.494   4.81 0.357 0.615 0.269 1.510     205.756     250.000       6.548    0 
+    100000       20000.00      24.408     -50.728     -26.321   5.66 0.286 0.692 0.266 1.713     221.438     250.000       6.877    0 
+    110000       22000.00      30.089     -54.669     -24.580   5.19 0.500 0.588 0.318 2.310     272.986     260.000       6.700    0 
+    120000       24000.00      26.458     -35.253      -8.795   6.07 0.286 0.556 0.187 1.460     240.040     260.000       7.415    0 
+    130000       26000.00      25.670     -44.563     -18.894   4.42 0.429 0.625 0.315 1.159     232.888     260.000       6.313    0 
+    140000       28000.00      23.876     -43.699     -19.822   4.42 0.429 0.500 0.303 2.242     216.617     260.000       6.825    0 
+    150000       30000.00      29.003     -44.179     -15.176   4.83 0.286 0.692 0.304 1.720     263.129     260.000       6.779    0 
+    160000       32000.00      25.578     -49.286     -23.708   4.93 0.214 0.786 0.263 1.455     232.056     260.000       6.668    0 
+    170000       34000.00      35.122     -46.624     -11.501   4.90 0.286 0.667 0.258 1.695     318.648     260.000       6.992    0 
+    180000       36000.00      20.125     -56.016     -35.890   6.17 0.286 0.800 0.366 2.939     182.585     260.000       6.497    0 
+    190000       38000.00      21.034     -47.351     -26.317   5.23 0.286 0.692 0.297 1.210     190.831     260.000       6.749    0 
+    200000       40000.00      23.352     -43.119     -19.768   4.19 0.286 0.692 0.297 1.891     211.858     260.000       7.083    0 
+    210000       42000.00      27.931     -45.268     -17.337   6.12 0.286 0.789 0.297 1.794     253.406     260.000       6.533    0 
+    220000       44000.00      25.308     -47.685     -22.377   4.12 0.357 0.722 0.311 2.115     229.605     260.000       6.415    0 
+    230000       46000.00      24.227     -54.132     -29.906   4.61 0.357 0.706 0.361 1.126     219.797     260.000       6.559    0 
+    240000       48000.00      17.866     -38.734     -20.868   4.95 0.214 0.786 0.383 1.201     162.089     260.000       7.105    0 
+    250000       50000.00      27.084     -37.631     -10.547   4.95 0.214 0.769 0.325 2.563     245.717     260.000       7.080    0 
+    260000       52000.00      28.201     -31.792      -3.592   5.27 0.143 0.833 0.318 1.362     255.851     260.000       7.509    0 
+    270000       54000.00      25.891     -43.770     -17.879   4.27 0.286 0.765 0.340 1.990     234.897     260.000       7.153    0 
+    280000       56000.00      22.714     -54.003     -31.289   4.33 0.286 0.714 0.377 1.718     206.074     260.000       6.965    0 
+    290000       58000.00      18.612     -40.447     -21.835   4.89 0.143 0.818 0.380 1.597     168.855     260.000       7.210    0 
+    300000       60000.00      28.528     -43.104     -14.577   4.35 0.286 0.600 0.232 3.888     258.817     260.000       7.119    0 
+    310000       62000.00      23.392     -57.993     -34.601   4.55 0.357 0.667 0.333 2.259     212.226     250.000       6.939    0 
+    320000       64000.00      18.534     -54.018     -35.484   4.69 0.357 0.688 0.230 1.452     168.146     250.000       7.042    0 
+    330000       66000.00      20.324     -48.383     -28.060   4.65 0.286 0.714 0.273 1.125     184.386     250.000       6.911    0 
+    340000       68000.00      22.969     -62.026     -39.057   2.42 0.500 0.611 0.293 1.217     208.384     250.000       6.465    0 
+    350000       70000.00      23.711     -61.337     -37.626   1.57 0.643 0.400 0.355 1.473     215.115     250.000       6.523    0 
+    360000       72000.00      21.700     -52.118     -30.417   3.15 0.429 0.538 0.189 0.970     196.877     250.000       7.069    0 
+    370000       74000.00      20.800     -61.892     -41.093   2.47 0.357 0.643 0.302 0.937     188.705     250.000       6.409    0 
+    380000       76000.00      19.073     -57.598     -38.525   2.30 0.286 0.733 0.279 0.889     173.038     250.000       6.394    0 
+    390000       78000.00      21.766     -58.237     -36.471   3.46 0.357 0.667 0.230 1.834     197.474     250.000       6.765    0 
+    400000       80000.00      17.557     -42.029     -24.472   2.08 0.429 0.500 0.227 1.417     159.286     250.000       6.776    0 
+    410000       82000.00      25.572     -42.031     -16.458   2.21 0.357 0.615 0.248 1.138     232.006     260.000       6.613    0 
+    420000       84000.00      26.338     -42.179     -15.841   7.57 0.214 0.625 0.199 2.438     238.954     260.000       8.335    0 
+    430000       86000.00      31.405     -54.469     -23.064   3.97 0.214 0.750 0.189 2.043     284.924     260.000       7.444    0 
+    440000       88000.00      27.496     -52.964     -25.468   3.39 0.214 0.800 0.221 3.606     249.459     260.000       7.002    0 
+    450000       90000.00      27.188     -54.816     -27.629   3.36 0.286 0.714 0.208 1.378     246.661     260.000       6.667    0 
+    460000       92000.00      30.453     -58.621     -28.169   3.42 0.357 0.667 0.258 2.288     276.283     260.000       6.787    0 
+    470000       94000.00      24.998     -53.274     -28.277   4.32 0.071 0.900 0.191 1.943     226.792     260.000       7.646    0 
+    480000       96000.00      22.888     -56.697     -33.809   3.02 0.357 0.762 0.251 0.909     207.651     260.000       6.756    0 
+    490000       98000.00      29.178     -49.922     -20.744   3.08 0.214 0.786 0.221 1.637     264.719     260.000       6.389    0 
+    500000      100000.00      17.594     -54.051     -36.457   3.46 0.429 0.625 0.188 0.961     159.619     260.000       7.191    0 
+    510000      102000.00      25.874     -63.547     -37.674   2.98 0.214 0.750 0.231 0.887     234.738     250.000       6.775    0 
+    520000      104000.00      30.122     -59.116     -28.994   3.20 0.357 0.688 0.250 1.215     273.278     250.000       6.546    0 
+    530000      106000.00      26.807     -63.515     -36.708   3.14 0.429 0.647 0.209 1.373     243.206     250.000       6.699    0 
+    540000      108000.00      29.448     -59.897     -30.449   3.08 0.357 0.750 0.236 2.182     267.167     250.000       6.598    0 
+    550000      110000.00      27.653     -62.397     -34.744   3.39 0.286 0.765 0.262 1.253     250.881     250.000       6.784    0 
+    560000      112000.00      24.103     -60.152     -36.049   3.34 0.429 0.647 0.209 1.463     218.679     250.000       6.776    0 
+    570000      114000.00      23.610     -60.469     -36.859   2.96 0.429 0.647 0.214 1.086     214.206     250.000       6.723    0 
+    580000      116000.00      21.736     -67.387     -45.651   3.23 0.286 0.765 0.259 1.617     197.203     250.000       6.641    0 
+    590000      118000.00      24.960     -52.487     -27.527   3.35 0.286 0.600 0.209 1.001     226.449     250.000       7.217    0 
+    600000      120000.00      23.685     -61.112     -37.427   3.10 0.429 0.667 0.197 1.058     214.882     250.000       6.561    0 
+    610000      122000.00      23.214     -59.542     -36.328   3.22 0.357 0.750 0.286 2.830     210.612     250.000       6.401    0 
+    620000      124000.00      19.479     -64.955     -45.476   3.23 0.214 0.800 0.239 1.139     176.720     250.000       6.802    0 
+    630000      126000.00      24.150     -58.914     -34.764   2.85 0.286 0.765 0.193 1.377     219.101     250.000       6.587    0 
+    640000      128000.00      26.238     -64.017     -37.779   3.19 0.357 0.737 0.220 1.383     238.047     250.000       6.645    0 
+    650000      130000.00      21.962     -64.147     -42.185   3.01 0.429 0.647 0.243 0.978     199.251     250.000       6.449    0 
+    660000      132000.00      30.149     -68.250     -38.101   3.31 0.429 0.714 0.219 2.205     273.531     250.000       6.741    0 
+    670000      134000.00      25.508     -60.903     -35.395   3.14 0.286 0.765 0.233 1.270     231.421     250.000       6.829    0 
+    680000      136000.00      24.046     -55.684     -31.638   3.11 0.500 0.611 0.212 1.566     218.156     250.000       6.809    0 
+    690000      138000.00      20.132     -62.676     -42.543   2.87 0.357 0.706 0.267 2.334     182.651     250.000       6.640    0 
+    700000      140000.00      27.426     -59.640     -32.214   3.06 0.214 0.750 0.197 1.481     248.821     250.000       6.890    0 
+    710000      142000.00      25.666     -57.390     -31.724   3.45 0.214 0.769 0.245 1.223     232.856     250.000       7.070    0 
+    720000      144000.00      30.439     -66.835     -36.395   3.36 0.429 0.684 0.218 1.448     276.160     250.000       6.623    0 
+    730000      146000.00      23.238     -57.144     -33.905   3.40 0.500 0.588 0.235 1.566     210.831     250.000       6.610    0 
+    740000      148000.00      23.459     -57.669     -34.210   2.95 0.286 0.714 0.247 1.641     212.830     250.000       6.506    0 
+    750000      150000.00      25.900     -53.164     -27.264   3.24 0.429 0.625 0.219 2.724     234.979     250.000       6.649    0 
+    760000      152000.00      20.852     -71.496     -50.645   3.20 0.429 0.750 0.269 0.894     189.178     250.000       6.469    0 
+    770000      154000.00      25.340     -66.499     -41.159   3.08 0.357 0.706 0.227 1.502     229.899     250.000       6.782    0 
+    780000      156000.00      23.260     -62.370     -39.110   3.00 0.429 0.727 0.271 1.874     211.023     250.000       6.612    0 
+    790000      158000.00      22.995     -65.495     -42.501   3.24 0.357 0.750 0.234 1.061     208.618     250.000       6.560    0 
+    800000      160000.00      24.795     -57.526     -32.730   3.56 0.214 0.800 0.324 1.314     224.956     250.000       6.630    0 
+    810000      162000.00      27.402     -64.356     -36.954   3.34 0.429 0.700 0.255 1.311     248.604     250.000       6.207    0 
+    820000      164000.00      27.651     -62.780     -35.129   3.04 0.214 0.824 0.235 2.019     250.865     250.000       6.326    0 
+    830000      166000.00      22.214     -59.099     -36.885   3.16 0.286 0.765 0.227 0.909     201.539     250.000       6.935    0 
+    840000      168000.00      24.978     -62.081     -37.103   3.32 0.500 0.588 0.230 1.364     226.612     250.000       6.687    0 
+    850000      170000.00      28.624     -56.166     -27.541   3.26 0.286 0.692 0.213 1.564     259.694     250.000       6.823    0 
+    860000      172000.00      20.301     -57.552     -37.251   3.65 0.357 0.706 0.235 1.067     184.180     250.000       6.577    0 
+    870000      174000.00      25.095     -51.366     -26.271   4.20 0.429 0.600 0.203 0.671     227.674     250.000       7.357    0 
+    880000      176000.00      23.601     -63.182     -39.581   3.19 0.429 0.684 0.251 1.001     214.118     250.000       6.591    0 
+    890000      178000.00      23.501     -59.455     -35.954   3.31 0.357 0.688 0.222 2.350     213.214     250.000       6.783    0 
+    900000      180000.00      24.840     -66.913     -42.073   3.15 0.429 0.700 0.218 1.350     225.359     250.000       6.665    0 
+    910000      182000.00      19.377     -61.309     -41.931   2.98 0.357 0.750 0.234 1.012     175.799     250.000       6.601    0 
+    920000      184000.00      19.483     -63.434     -43.951   2.97 0.429 0.684 0.225 1.195     176.764     250.000       6.760    0 
+    930000      186000.00      27.816     -55.045     -27.229   3.39 0.357 0.688 0.230 1.439     252.362     250.000       6.642    0 
+    940000      188000.00      24.527     -66.881     -42.353   3.33 0.286 0.750 0.253 0.973     222.523     250.000       6.934    0 
+    950000      190000.00      26.836     -59.823     -32.988   3.07 0.571 0.600 0.209 2.153     243.470     250.000       6.653    0 
+    960000      192000.00      22.120     -70.385     -48.265   3.15 0.286 0.750 0.230 1.186     200.688     250.000       6.791    0 
+    970000      194000.00      31.020     -61.305     -30.285   3.07 0.500 0.650 0.264 1.376     281.430     250.000       6.353    0 
+    980000      196000.00      21.325     -57.325     -36.000   2.75 0.500 0.632 0.297 1.138     193.471     250.000       6.435    0 
+    990000      198000.00      26.351     -58.938     -32.587   3.31 0.429 0.647 0.241 1.316     239.073     250.000       6.783    0 
+   1000000      200000.00      33.718     -58.075     -24.357   3.30 0.286 0.733 0.203 1.478     305.904     250.000       6.566    0 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB001.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB001.stat
index 6fc4c6b..77de3da 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB001.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB001.stat
@@ -1,101 +1,101 @@
          0           0.00      26.348      24.992      51.340  12.87 0.000   NaN   NaN 0.710     239.041     260.000      15.552    1 
-     10000        2000.00      22.065     -31.319      -9.255   5.91 0.071 0.875 0.409 1.582     200.185     260.000       8.425    1 
-     20000        4000.00      30.125     -30.559      -0.435   4.61 0.286 0.667 0.496 2.151     273.305     260.000       7.204    1 
-     30000        6000.00      28.345     -36.490      -8.145   4.99 0.143 0.867 0.397 1.448     257.158     260.000       6.505    1 
-     40000        8000.00      23.301     -37.090     -13.789   4.89 0.071 0.909 0.413 1.900     211.396     260.000       7.218    1 
-     50000       10000.00      24.745     -47.474     -22.729   5.47 0.214 0.857 0.377 2.130     224.503     260.000       6.241    1 
-     60000       12000.00      26.205     -28.420      -2.215   5.83 0.143 0.750 0.324 2.597     237.744     260.000       7.491    1 
-     70000       14000.00      25.955     -46.778     -20.823   6.21 0.143 0.857 0.312 1.832     235.481     260.000       7.156    1 
-     80000       16000.00      18.235     -39.454     -21.219   5.82 0.143 0.778 0.303 1.280     165.435     260.000       6.833    1 
-     90000       18000.00      20.621     -48.240     -27.619   2.80 0.357 0.545 0.343 1.609     187.084     260.000       6.733    1 
-    100000       20000.00      21.288     -33.833     -12.545   2.96 0.357 0.545 0.207 1.431     193.135     260.000       7.249    1 
-    110000       22000.00      28.627      -9.125      19.502   6.90 0.071 0.750 0.148 1.379     259.722     300.000      10.544    1 
-    120000       24000.00      32.949     -38.718      -5.769   3.50 0.357 0.500 0.300 1.305     298.933     300.000       7.198    1 
-    130000       26000.00      28.640     -14.371      14.268   6.91 0.071 0.833 0.250 1.228     259.832     300.000       8.507    1 
-    140000       28000.00      24.429     -12.354      12.075   7.44 0.286 0.500 0.165 0.898     221.628     300.000       8.405    1 
-    150000       30000.00      30.049     -28.993       1.056   5.60 0.214 0.750 0.311 3.063     272.619     300.000       6.705    1 
-    160000       32000.00      22.502     -33.421     -10.920   5.07 0.000 1.000 0.282 1.249     204.148     300.000       7.271    1 
-    170000       34000.00      30.804     -21.699       9.105   6.11 0.143 0.778 0.328 1.507     279.473     300.000       7.628    1 
-    180000       36000.00      25.790     -25.729       0.061   5.39 0.143 0.750 0.205 1.539     233.979     300.000       8.307    1 
-    190000       38000.00      36.112     -21.590      14.522   4.59 0.143 0.714 0.182 1.614     327.625     300.000       7.771    1 
-    200000       40000.00      26.222     -20.648       5.574   5.58 0.214 0.500 0.159 0.844     237.900     300.000       8.487    1 
-    210000       42000.00      30.073     -28.274       1.799   4.68 0.357 0.643 0.341 2.503     272.837     290.000       6.809    1 
-    220000       44000.00      23.759     -36.421     -12.662   4.30 0.286 0.765 0.452 0.569     215.550     290.000       6.521    1 
-    230000       46000.00      36.378     -35.625       0.753   2.83 0.286 0.556 0.187 2.117     330.042     290.000       7.627    1 
-    240000       48000.00      29.574     -26.612       2.962   3.32 0.429 0.400 0.227 2.147     268.314     290.000       6.781    1 
-    250000       50000.00      24.732     -34.153      -9.422   2.83 0.357 0.615 0.241 1.350     224.378     290.000       6.972    1 
-    260000       52000.00      28.452     -25.035       3.417   3.89 0.286 0.600 0.368 1.050     258.128     290.000       7.029    1 
-    270000       54000.00      22.388     -32.817     -10.429   3.83 0.214 0.625 0.392 1.242     203.112     290.000       7.062    1 
-    280000       56000.00      27.554     -23.744       3.810   4.77 0.214 0.571 0.227 1.425     249.988     290.000       7.483    1 
-    290000       58000.00      32.308     -30.532       1.776   6.80 0.357 0.375 0.159 2.040     293.119     290.000       8.712    1 
-    300000       60000.00      25.660     -30.043      -4.383   5.57 0.143 0.714 0.188 1.389     232.802     290.000       7.777    1 
-    310000       62000.00      29.560     -32.125      -2.564   3.23 0.286 0.556 0.167 1.076     268.187     290.000       8.004    1 
-    320000       64000.00      25.771     -34.176      -8.405   5.70 0.071 0.889 0.232 2.175     233.805     290.000       7.151    1 
-    330000       66000.00      29.203     -32.183      -2.980   5.50 0.143 0.714 0.234 1.549     264.946     290.000       7.534    1 
-    340000       68000.00      27.481     -44.564     -17.084   4.72 0.357 0.615 0.339 1.972     249.318     290.000       6.764    1 
-    350000       70000.00      30.324     -29.282       1.042   4.18 0.214 0.500 0.242 1.036     275.114     290.000       8.017    1 
-    360000       72000.00      29.867     -34.509      -4.642   4.37 0.143 0.833 0.390 1.779     270.968     290.000       7.696    1 
-    370000       74000.00      34.009     -29.056       4.953   6.08 0.214 0.727 0.376 1.602     308.551     290.000       6.910    1 
-    380000       76000.00      34.275     -39.604      -5.330   6.90 0.286 0.667 0.223 2.072     310.957     290.000       7.400    1 
-    390000       78000.00      26.758     -41.960     -15.202   3.12 0.286 0.600 0.332 1.525     242.763     290.000       6.869    1 
-    400000       80000.00      24.266     -25.260      -0.994   7.28 0.143 0.714 0.208 1.484     220.150     290.000       7.631    1 
-    410000       82000.00      25.577     -39.670     -14.093   4.27 0.214 0.769 0.297 1.554     232.051     290.000       7.125    1 
-    420000       84000.00      25.060     -30.314      -5.254   7.55 0.214 0.500 0.167 1.377     227.359     290.000       9.318    1 
-    430000       86000.00      34.114     -25.079       9.035   3.55 0.286 0.636 0.207 1.690     309.496     290.000       6.951    1 
-    440000       88000.00      29.524     -33.633      -4.109   3.75 0.429 0.571 0.393 1.181     267.859     290.000       6.568    1 
-    450000       90000.00      21.495     -42.981     -21.486   6.27 0.286 0.692 0.252 1.167     195.016     290.000       7.288    1 
-    460000       92000.00      33.985     -36.444      -2.459   3.84 0.214 0.727 0.310 1.230     308.332     290.000       7.030    1 
-    470000       94000.00      31.835     -25.238       6.597   2.80 0.286 0.556 0.303 1.246     288.819     290.000       7.222    1 
-    480000       96000.00      27.841     -35.962      -8.120   3.52 0.286 0.556 0.359 1.147     252.590     290.000       6.917    1 
-    490000       98000.00      28.941     -37.877      -8.937   5.61 0.286 0.600 0.200 1.294     262.565     290.000       8.936    1 
-    500000      100000.00      28.740     -30.715      -1.975   3.78 0.214 0.700 0.241 1.795     260.746     290.000       6.995    1 
-    510000      102000.00      34.121     -40.343      -6.222   7.19 0.143 0.778 0.207 1.536     309.565     280.000       7.611    1 
-    520000      104000.00      24.407     -43.651     -19.244   5.64 0.214 0.750 0.402 1.535     221.435     280.000       6.814    1 
-    530000      106000.00      29.067     -28.680       0.388   4.99 0.143 0.800 0.336 2.058     263.715     280.000       6.740    1 
-    540000      108000.00      33.493     -23.149      10.344   5.28 0.071 0.889 0.359 2.753     303.870     280.000       7.419    1 
-    550000      110000.00      32.178     -41.670      -9.493   4.87 0.071 0.917 0.311 1.285     291.933     280.000       6.868    1 
-    560000      112000.00      23.813     -27.994      -4.182   4.65 0.071 0.917 0.356 3.044     216.041     280.000       7.191    1 
-    570000      114000.00      34.254     -34.170       0.084   5.42 0.429 0.455 0.194 2.495     310.771     280.000       7.596    1 
-    580000      116000.00      22.607     -42.688     -20.081   4.88 0.143 0.714 0.377 1.079     205.102     280.000       6.994    1 
-    590000      118000.00      29.273     -47.671     -18.398   5.61 0.357 0.667 0.297 1.550     265.581     280.000       6.661    1 
-    600000      120000.00      27.959     -44.869     -16.910   5.13 0.286 0.600 0.273 1.552     253.658     280.000       7.382    1 
-    610000      122000.00      24.918     -40.427     -15.509   4.89 0.357 0.500 0.245 0.893     226.069     280.000       7.225    1 
-    620000      124000.00      25.822     -35.694      -9.871   3.57 0.286 0.636 0.211 2.263     234.275     280.000       7.452    1 
-    630000      126000.00      17.121     -42.314     -25.193   4.90 0.286 0.667 0.295 0.861     155.334     280.000       7.121    1 
-    640000      128000.00      28.955     -34.384      -5.429   4.75 0.286 0.667 0.288 1.543     262.694     280.000       6.683    1 
-    650000      130000.00      27.015     -42.821     -15.806   5.38 0.071 0.889 0.359 2.490     245.092     280.000       7.041    1 
-    660000      132000.00      32.444     -34.853      -2.408   5.40 0.286 0.429 0.169 0.924     294.350     280.000       7.465    1 
-    670000      134000.00      28.260     -44.804     -16.544   5.04 0.500 0.417 0.333 2.685     256.391     280.000       6.762    1 
-    680000      136000.00      32.307     -35.020      -2.713   6.06 0.286 0.636 0.360 1.665     293.106     280.000       6.701    1 
-    690000      138000.00      27.192     -40.330     -13.137   5.68 0.357 0.545 0.256 3.475     246.703     280.000       7.134    1 
-    700000      140000.00      26.489     -25.654       0.835   5.39 0.214 0.750 0.258 3.145     240.324     280.000       6.988    1 
-    710000      142000.00      25.902     -30.907      -5.005   6.19 0.071 0.909 0.240 1.195     234.996     290.000       7.547    1 
-    720000      144000.00      35.433     -41.360      -5.928   5.67 0.357 0.500 0.191 0.795     321.462     290.000       7.460    1 
-    730000      146000.00      28.906     -28.381       0.524   5.56 0.143 0.778 0.202 2.042     262.246     290.000       7.279    1 
-    740000      148000.00      32.995     -26.040       6.954   4.79 0.214 0.667 0.288 1.696     299.344     290.000       7.151    1 
-    750000      150000.00      24.185     -39.440     -15.255   5.67 0.286 0.636 0.227 1.122     219.419     290.000       7.068    1 
-    760000      152000.00      32.501     -35.695      -3.194   3.67 0.357 0.667 0.224 0.658     294.866     290.000       7.059    1 
-    770000      154000.00      29.193     -40.297     -11.103   3.98 0.357 0.643 0.351 1.264     264.857     290.000       6.785    1 
-    780000      156000.00      38.316     -37.138       1.178   3.95 0.286 0.500 0.352 1.096     347.622     290.000       7.047    1 
-    790000      158000.00      21.005     -34.608     -13.603   3.96 0.286 0.600 0.336 0.880     190.568     290.000       6.894    1 
-    800000      160000.00      34.512     -28.855       5.658   3.85 0.214 0.700 0.405 1.690     313.114     290.000       7.804    1 
-    810000      162000.00      32.970     -22.729      10.240   3.90 0.357 0.286 0.214 1.870     299.118     310.000       8.573    1 
-    820000      164000.00      29.553     -13.283      16.269   4.79 0.071 0.667 0.242 2.081     268.116     310.000       8.628    1 
-    830000      166000.00      31.087     -19.464      11.623   2.78 0.357 0.444 0.182 1.785     282.037     310.000       7.677    1 
-    840000      168000.00      31.526     -16.615      14.911   6.45 0.143 0.667 0.197 2.429     286.019     310.000       9.116    1 
-    850000      170000.00      30.713     -35.819      -5.106   4.83 0.143 0.833 0.333 2.228     278.646     310.000       6.687    1 
-    860000      172000.00      26.723     -22.458       4.265   5.41 0.429 0.500 0.337 1.779     242.441     310.000       6.720    1 
-    870000      174000.00      21.278     -25.976      -4.698   6.84 0.000 1.000 0.152 1.527     193.048     310.000       8.871    1 
-    880000      176000.00      30.240     -20.219      10.021   5.50 0.143 0.600 0.145 1.444     274.352     310.000       9.271    1 
-    890000      178000.00      35.897     -30.546       5.351   5.22 0.071 0.833 0.508 1.457     325.676     310.000       8.423    1 
-    900000      180000.00      29.352      -9.349      20.003   7.70 0.143 0.000 0.159 1.516     266.297     310.000      10.941    1 
-    910000      182000.00      33.173     -24.511       8.662   6.38 0.143 0.778 0.258 1.796     300.967     300.000       6.839    1 
-    920000      184000.00      29.852     -22.027       7.825   5.00 0.143 0.750 0.335 1.991     270.836     300.000       7.908    1 
-    930000      186000.00      28.091     -21.579       6.513   7.89 0.214 0.571 0.195 2.034     254.861     300.000      10.052    1 
-    940000      188000.00      32.966     -32.679       0.286   5.80 0.357 0.500 0.191 1.434     299.082     300.000       8.310    1 
-    950000      190000.00      24.656     -22.238       2.418   2.74 0.214 0.500 0.492 1.641     223.688     300.000       7.405    1 
-    960000      192000.00      27.095     -27.946      -0.850   4.63 0.214 0.727 0.277 1.602     245.823     300.000       7.328    1 
-    970000      194000.00      22.671     -37.205     -14.534   4.55 0.143 0.714 0.175 0.791     205.684     300.000       8.123    1 
-    980000      196000.00      32.907     -25.442       7.466   4.01 0.071 0.800 0.309 1.201     298.553     300.000       7.966    1 
-    990000      198000.00      34.105     -26.410       7.695   3.47 0.214 0.625 0.216 1.328     309.419     300.000       7.093    1 
-   1000000      200000.00      25.628     -34.669      -9.041   5.85 0.214 0.667 0.237 1.291     232.513     300.000       7.475    1 
+     10000        2000.00      23.328     -51.421     -28.093   4.53 0.143 0.846 0.402 0.940     211.647     260.000       7.026    1 
+     20000        4000.00      26.461     -43.793     -17.331   5.06 0.500 0.562 0.318 1.159     240.069     260.000       6.868    1 
+     30000        6000.00      26.847     -50.268     -23.421   4.14 0.143 0.867 0.248 0.783     243.571     260.000       7.305    1 
+     40000        8000.00      24.283     -51.104     -26.821   4.06 0.214 0.786 0.269 1.231     220.309     260.000       6.706    1 
+     50000       10000.00      26.878     -44.496     -17.618   5.53 0.286 0.667 0.371 1.190     243.854     260.000       6.617    1 
+     60000       12000.00      24.119     -38.595     -14.476   5.16 0.143 0.800 0.395 1.800     218.821     260.000       6.592    1 
+     70000       14000.00      25.977     -47.470     -21.493   5.26 0.286 0.600 0.255 1.755     235.678     260.000       6.472    1 
+     80000       16000.00      19.691     -47.840     -28.149   4.63 0.357 0.615 0.360 1.503     178.646     260.000       7.021    1 
+     90000       18000.00      20.915     -45.926     -25.010   4.80 0.357 0.667 0.294 1.253     189.756     260.000       6.806    1 
+    100000       20000.00      22.652     -49.063     -26.412   4.44 0.500 0.562 0.293 2.221     205.509     260.000       6.917    1 
+    110000       22000.00      27.220     -54.374     -27.154   5.96 0.214 0.769 0.315 1.581     246.955     250.000       6.830    1 
+    120000       24000.00      25.974     -60.309     -34.335   6.21 0.214 0.850 0.377 1.204     235.649     250.000       6.368    1 
+    130000       26000.00      21.845     -49.762     -27.917   4.50 0.143 0.800 0.264 2.029     198.192     250.000       7.053    1 
+    140000       28000.00      22.672     -45.969     -23.297   5.76 0.286 0.733 0.264 1.095     205.688     250.000       6.743    1 
+    150000       30000.00      26.169     -47.363     -21.193   4.01 0.143 0.857 0.354 1.302     237.423     250.000       6.518    1 
+    160000       32000.00      20.901     -51.055     -30.154   4.08 0.286 0.667 0.246 0.770     189.628     250.000       7.047    1 
+    170000       34000.00      25.380     -49.511     -24.131   5.71 0.214 0.800 0.294 1.506     230.261     250.000       6.836    1 
+    180000       36000.00      21.813     -51.904     -30.091   5.15 0.357 0.615 0.322 1.939     197.897     250.000       6.796    1 
+    190000       38000.00      33.381     -50.531     -17.150   3.19 0.286 0.714 0.221 1.091     302.851     250.000       7.081    1 
+    200000       40000.00      20.468     -48.218     -27.750   5.00 0.286 0.692 0.238 1.178     185.693     250.000       7.282    1 
+    210000       42000.00      27.380     -46.311     -18.931   4.30 0.357 0.545 0.207 2.140     248.404     250.000       7.393    1 
+    220000       44000.00      17.372     -47.511     -30.138   5.94 0.143 0.778 0.162 1.110     157.611     250.000       8.503    1 
+    230000       46000.00      30.957     -51.841     -20.885   3.71 0.214 0.786 0.247 1.839     280.855     250.000       7.269    1 
+    240000       48000.00      25.939     -52.512     -26.574   3.68 0.286 0.750 0.293 1.611     235.329     250.000       7.154    1 
+    250000       50000.00      23.718     -48.804     -25.086   3.61 0.286 0.733 0.233 1.040     215.178     250.000       6.980    1 
+    260000       52000.00      21.703     -50.470     -28.767   5.05 0.429 0.571 0.282 1.387     196.904     250.000       6.639    1 
+    270000       54000.00      21.481     -43.888     -22.407   4.77 0.143 0.778 0.197 1.745     194.882     250.000       7.267    1 
+    280000       56000.00      25.203     -51.610     -26.406   5.35 0.286 0.692 0.315 1.803     228.656     250.000       6.665    1 
+    290000       58000.00      27.316     -53.741     -26.425   4.60 0.214 0.727 0.298 1.032     247.823     250.000       6.822    1 
+    300000       60000.00      23.999     -48.901     -24.902   5.51 0.214 0.800 0.315 3.498     217.731     250.000       6.516    1 
+    310000       62000.00      26.905     -50.203     -23.298   5.64 0.214 0.727 0.277 1.538     244.098     260.000       6.482    1 
+    320000       64000.00      22.752     -42.456     -19.704   6.11 0.286 0.692 0.294 1.761     206.415     260.000       6.925    1 
+    330000       66000.00      21.567     -39.679     -18.111   3.78 0.286 0.636 0.244 1.348     195.671     260.000       7.222    1 
+    340000       68000.00      25.836     -46.373     -20.537   4.08 0.214 0.667 0.263 1.543     234.396     260.000       7.698    1 
+    350000       70000.00      24.638     -40.320     -15.682   6.03 0.286 0.692 0.255 1.263     223.531     260.000       6.538    1 
+    360000       72000.00      26.859     -51.978     -25.119   6.06 0.357 0.667 0.327 0.802     243.680     260.000       6.800    1 
+    370000       74000.00      35.969     -48.571     -12.601   6.07 0.286 0.750 0.307 0.971     326.332     260.000       6.905    1 
+    380000       76000.00      26.613     -34.177      -7.564   5.67 0.214 0.667 0.308 2.008     241.449     260.000       6.742    1 
+    390000       78000.00      20.916     -45.463     -24.548   4.66 0.357 0.667 0.342 2.551     189.758     260.000       6.553    1 
+    400000       80000.00      25.318     -43.402     -18.084   5.94 0.286 0.692 0.241 1.119     229.698     260.000       7.005    1 
+    410000       82000.00      20.895     -52.723     -31.828   5.08 0.286 0.500 0.176 1.391     189.571     250.000       7.726    1 
+    420000       84000.00      19.440     -47.529     -28.089   5.22 0.357 0.667 0.309 2.079     176.370     250.000       6.880    1 
+    430000       86000.00      25.015     -56.395     -31.380   4.70 0.357 0.706 0.348 1.552     226.949     250.000       6.462    1 
+    440000       88000.00      25.812     -45.882     -20.070   4.51 0.357 0.583 0.261 1.753     234.176     250.000       7.247    1 
+    450000       90000.00      17.119     -56.055     -38.935   4.05 0.071 0.938 0.358 0.641     155.317     250.000       7.089    1 
+    460000       92000.00      26.264     -35.832      -9.568   4.50 0.214 0.800 0.294 1.429     238.278     250.000       6.421    1 
+    470000       94000.00      24.974     -58.573     -33.600   5.22 0.286 0.714 0.250 1.041     226.573     250.000       6.586    1 
+    480000       96000.00      24.029     -48.977     -24.948   4.94 0.214 0.727 0.302 1.456     218.004     250.000       6.777    1 
+    490000       98000.00      18.896     -45.203     -26.307   4.24 0.500 0.364 0.227 1.557     171.438     250.000       7.093    1 
+    500000      100000.00      23.305     -53.409     -30.104   5.91 0.286 0.692 0.213 1.278     211.437     250.000       7.070    1 
+    510000      102000.00      29.991     -40.889     -10.898   4.80 0.357 0.667 0.355 1.937     272.092     260.000       6.440    1 
+    520000      104000.00      23.894     -48.775     -24.882   6.19 0.429 0.455 0.223 0.940     216.774     260.000       6.835    1 
+    530000      106000.00      29.044     -51.433     -22.390   5.82 0.357 0.643 0.269 1.292     263.500     260.000       6.651    1 
+    540000      108000.00      26.160     -47.894     -21.733   5.42 0.214 0.812 0.366 2.421     237.340     260.000       6.482    1 
+    550000      110000.00      28.295     -50.971     -22.676   4.81 0.286 0.714 0.224 0.894     256.706     260.000       7.790    1 
+    560000      112000.00      25.450     -44.909     -19.460   4.60 0.286 0.667 0.208 3.055     230.892     260.000       7.106    1 
+    570000      114000.00      28.433     -42.299     -13.866   3.84 0.429 0.571 0.263 1.693     257.962     260.000       7.130    1 
+    580000      116000.00      24.434     -57.125     -32.691   4.72 0.429 0.600 0.333 1.266     221.681     260.000       6.578    1 
+    590000      118000.00      23.187     -48.704     -25.517   4.83 0.357 0.643 0.244 2.237     210.365     260.000       6.518    1 
+    600000      120000.00      26.440     -50.350     -23.910   6.62 0.286 0.692 0.227 1.282     239.877     260.000       7.137    1 
+    610000      122000.00      25.552     -47.418     -21.867   4.95 0.286 0.714 0.266 1.526     231.818     270.000       6.796    1 
+    620000      124000.00      25.372     -41.237     -15.865   5.15 0.071 0.875 0.244 1.160     230.192     270.000       7.362    1 
+    630000      126000.00      19.666     -45.168     -25.502   5.43 0.429 0.600 0.227 0.906     178.420     270.000       7.003    1 
+    640000      128000.00      27.963     -39.934     -11.971   4.93 0.286 0.636 0.244 2.001     253.691     270.000       6.859    1 
+    650000      130000.00      29.429     -42.196     -12.768   5.33 0.286 0.692 0.280 1.710     266.993     270.000       6.639    1 
+    660000      132000.00      29.354     -42.560     -13.206   4.43 0.286 0.500 0.233 1.171     266.312     270.000       6.941    1 
+    670000      134000.00      29.800     -40.090     -10.290   5.66 0.429 0.571 0.344 2.633     270.363     270.000       6.559    1 
+    680000      136000.00      23.709     -36.980     -13.270   7.28 0.143 0.846 0.245 1.640     215.104     270.000       7.328    1 
+    690000      138000.00      26.289     -39.866     -13.577   3.42 0.357 0.583 0.186 1.066     238.505     270.000       7.349    1 
+    700000      140000.00      32.457     -48.807     -16.350   4.08 0.214 0.786 0.302 2.616     294.469     270.000       6.489    1 
+    710000      142000.00      22.917     -37.949     -15.031   3.46 0.214 0.700 0.309 1.234     207.919     270.000       6.355    1 
+    720000      144000.00      29.223     -36.844      -7.621   3.71 0.143 0.833 0.197 1.411     265.125     270.000       7.138    1 
+    730000      146000.00      28.079     -52.151     -24.072   3.38 0.429 0.538 0.283 2.577     254.747     270.000       7.600    1 
+    740000      148000.00      26.463     -36.497     -10.034   3.61 0.429 0.684 0.337 2.687     240.084     270.000       7.295    1 
+    750000      150000.00      25.089     -48.332     -23.243   3.69 0.357 0.722 0.379 1.656     227.623     270.000       7.187    1 
+    760000      152000.00      32.723     -36.203      -3.480   2.32 0.643 0.308 0.273 1.375     296.876     270.000       7.005    1 
+    770000      154000.00      26.604     -40.504     -13.900   3.92 0.571 0.429 0.354 1.208     241.366     270.000       6.587    1 
+    780000      156000.00      39.645     -35.137       4.508   4.71 0.214 0.750 0.246 1.052     359.682     270.000       6.762    1 
+    790000      158000.00      21.054     -48.286     -27.232   5.22 0.429 0.667 0.326 1.169     191.011     270.000       6.548    1 
+    800000      160000.00      35.724     -36.594      -0.870   4.67 0.071 0.875 0.188 1.939     324.110     270.000       7.867    1 
+    810000      162000.00      29.670     -34.649      -4.979   6.93 0.286 0.636 0.240 1.428     269.181     280.000       7.126    1 
+    820000      164000.00      29.946     -45.285     -15.339   6.90 0.143 0.833 0.258 1.324     271.686     280.000       7.199    1 
+    830000      166000.00      30.613     -32.343      -1.730   6.36 0.214 0.700 0.186 1.967     277.733     280.000       7.450    1 
+    840000      168000.00      27.583     -45.398     -17.816   4.35 0.214 0.750 0.299 1.967     250.243     280.000       6.647    1 
+    850000      170000.00      27.824     -40.281     -12.457   3.43 0.214 0.812 0.327 2.521     252.437     280.000       6.987    1 
+    860000      172000.00      24.940     -36.522     -11.582   3.62 0.286 0.667 0.284 1.546     226.268     280.000       6.990    1 
+    870000      174000.00      20.498     -44.634     -24.137   2.68 0.357 0.583 0.292 1.410     185.965     280.000       6.402    1 
+    880000      176000.00      31.245     -29.254       1.991   2.27 0.286 0.600 0.191 1.263     283.472     280.000       7.306    1 
+    890000      178000.00      31.723     -42.672     -10.949   8.93 0.286 0.500 0.182 1.037     287.808     280.000      11.348    1 
+    900000      180000.00      24.833     -40.189     -15.356   6.46 0.286 0.667 0.231 1.162     225.297     280.000       6.904    1 
+    910000      182000.00      30.776     -41.704     -10.928   3.88 0.357 0.688 0.250 2.547     279.216     270.000       6.907    1 
+    920000      184000.00      30.803     -40.387      -9.584   4.48 0.214 0.750 0.314 2.650     279.458     270.000       7.362    1 
+    930000      186000.00      25.369     -40.476     -15.107   4.95 0.214 0.750 0.311 1.687     230.161     270.000       6.364    1 
+    940000      188000.00      31.272     -56.076     -24.804   5.35 0.286 0.692 0.290 1.496     283.716     270.000       6.628    1 
+    950000      190000.00      21.688     -46.696     -25.009   4.29 0.143 0.750 0.386 1.173     196.762     270.000       7.469    1 
+    960000      192000.00      24.950     -47.302     -22.353   3.39 0.286 0.750 0.293 0.885     226.357     270.000       7.385    1 
+    970000      194000.00      23.184     -47.029     -23.844   3.06 0.357 0.444 0.253 1.116     210.339     270.000       7.367    1 
+    980000      196000.00      25.626     -41.586     -15.961   2.22 0.357 0.643 0.282 1.364     232.490     270.000       7.272    1 
+    990000      198000.00      30.174     -45.811     -15.637   2.85 0.357 0.667 0.306 1.356     273.757     270.000       7.021    1 
+   1000000      200000.00      24.485     -42.596     -18.111   3.23 0.286 0.600 0.227 1.433     222.141     270.000       7.455    1 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB002.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB002.stat
index 591159f..115e98c 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB002.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB002.stat
@@ -1,101 +1,101 @@
          0           0.00      30.100      24.969      55.069  12.87 0.000   NaN   NaN 0.709     273.080     270.000      15.552    2 
-     10000        2000.00      26.768     -24.343       2.425   6.80 0.286 0.636 0.190 1.542     242.854     270.000       7.915    2 
-     20000        4000.00      29.994     -21.555       8.439   4.59 0.143 0.818 0.355 1.783     272.120     270.000       7.272    2 
-     30000        6000.00      26.866     -39.602     -12.736   4.69 0.071 0.917 0.261 2.299     243.742     270.000       7.052    2 
-     40000        8000.00      24.558     -42.146     -17.588   4.13 0.214 0.800 0.261 1.058     222.798     270.000       7.118    2 
-     50000       10000.00      25.202     -32.700      -7.498   3.63 0.357 0.583 0.269 2.574     228.642     270.000       6.925    2 
-     60000       12000.00      28.717     -61.022     -32.304   2.13 0.643 0.438 0.301 0.848     260.538     270.000       6.826    2 
-     70000       14000.00      20.456     -49.184     -28.728   3.07 0.357 0.615 0.297 0.692     185.587     270.000       6.941    2 
-     80000       16000.00      25.891     -38.350     -12.458   3.16 0.357 0.643 0.201 1.593     234.900     270.000       6.990    2 
-     90000       18000.00      20.261     -42.169     -21.908   3.13 0.286 0.636 0.236 2.411     183.816     270.000       7.072    2 
-    100000       20000.00      26.016     -53.666     -27.651   4.00 0.143 0.800 0.259 1.114     236.028     270.000       7.468    2 
-    110000       22000.00      24.605     -43.323     -18.717   4.19 0.214 0.750 0.197 1.318     223.234     260.000       7.098    2 
-    120000       24000.00      32.600     -49.217     -16.617   4.22 0.214 0.786 0.292 1.227     295.765     260.000       7.184    2 
-    130000       26000.00      29.706     -47.856     -18.151   4.70 0.286 0.733 0.333 1.064     269.504     260.000       7.292    2 
-    140000       28000.00      25.620     -47.087     -21.466   6.41 0.286 0.667 0.239 1.798     232.441     260.000       7.018    2 
-    150000       30000.00      23.459     -42.858     -19.399   7.86 0.214 0.625 0.188 0.827     212.832     260.000       9.254    2 
-    160000       32000.00      27.722     -41.328     -13.606   2.80 0.286 0.714 0.260 1.745     251.506     260.000       7.276    2 
-    170000       34000.00      23.048     -52.755     -29.707   3.24 0.357 0.667 0.230 1.335     209.103     260.000       6.839    2 
-    180000       36000.00      20.695     -44.307     -23.611   3.56 0.357 0.643 0.263 2.038     187.760     260.000       7.150    2 
-    190000       38000.00      21.693     -46.240     -24.547   3.70 0.429 0.538 0.248 1.783     196.811     260.000       6.895    2 
-    200000       40000.00      23.840     -43.324     -19.484   3.00 0.357 0.667 0.212 2.695     216.292     260.000       6.564    2 
-    210000       42000.00      31.020     -58.240     -27.220   3.13 0.357 0.545 0.211 2.125     281.430     250.000       6.810    2 
-    220000       44000.00      26.667     -53.931     -27.264   3.01 0.429 0.700 0.225 1.851     241.937     250.000       6.634    2 
-    230000       46000.00      19.116     -51.575     -32.459   3.88 0.143 0.800 0.273 1.056     173.434     250.000       7.039    2 
-    240000       48000.00      23.045     -47.353     -24.308   3.86 0.214 0.667 0.167 1.147     209.077     250.000       7.609    2 
-    250000       50000.00      21.394     -54.431     -33.037   3.77 0.143 0.818 0.264 1.310     194.101     250.000       7.293    2 
-    260000       52000.00      23.828     -45.289     -21.461   2.69 0.357 0.545 0.260 1.440     216.182     250.000       7.282    2 
-    270000       54000.00      23.744     -53.608     -29.864   2.64 0.429 0.571 0.295 1.470     215.418     250.000       6.774    2 
-    280000       56000.00      20.400     -53.170     -32.770   2.83 0.429 0.684 0.234 1.721     185.078     250.000       6.479    2 
-    290000       58000.00      23.534     -53.896     -30.363   2.66 0.357 0.615 0.241 2.053     213.510     250.000       7.010    2 
-    300000       60000.00      20.326     -49.921     -29.594   7.13 0.357 0.615 0.171 1.777     184.411     250.000       9.449    2 
-    310000       62000.00      23.312     -49.006     -25.694   4.87 0.214 0.786 0.244 0.919     211.497     260.000       6.731    2 
-    320000       64000.00      23.393     -48.504     -25.111   5.09 0.286 0.692 0.311 1.122     212.233     260.000       7.240    2 
-    330000       66000.00      19.380     -55.313     -35.933   3.11 0.429 0.647 0.350 0.676     175.822     260.000       7.269    2 
-    340000       68000.00      24.944     -46.341     -21.397   2.81 0.214 0.824 0.270 1.355     226.305     260.000       6.915    2 
-    350000       70000.00      28.885     -58.163     -29.278   3.16 0.357 0.643 0.276 1.690     262.059     260.000       7.043    2 
-    360000       72000.00      27.382     -56.116     -28.734   3.31 0.429 0.600 0.276 1.128     248.425     260.000       6.840    2 
-    370000       74000.00      26.581     -41.231     -14.651   3.62 0.429 0.538 0.262 1.661     241.156     260.000       6.961    2 
-    380000       76000.00      27.351     -46.972     -19.621   2.69 0.214 0.769 0.290 1.695     248.143     260.000       6.842    2 
-    390000       78000.00      30.141     -54.802     -24.661   3.00 0.429 0.667 0.311 1.267     273.455     260.000       6.821    2 
-    400000       80000.00      22.389     -48.486     -26.097   3.16 0.357 0.667 0.309 1.898     203.129     260.000       6.938    2 
-    410000       82000.00      26.756     -47.319     -20.564   2.99 0.357 0.643 0.234 1.433     242.741     260.000       6.981    2 
-    420000       84000.00      29.509     -59.634     -30.126   3.09 0.286 0.750 0.267 0.718     267.720     260.000       6.759    2 
-    430000       86000.00      27.384     -52.852     -25.468   2.99 0.214 0.700 0.286 1.932     248.442     260.000       7.034    2 
-    440000       88000.00      25.596     -46.934     -21.338   3.07 0.429 0.500 0.284 2.134     232.223     260.000       7.136    2 
-    450000       90000.00      25.751     -47.150     -21.399   3.27 0.429 0.625 0.290 2.195     233.625     260.000       6.808    2 
-    460000       92000.00      27.934     -55.477     -27.543   2.89 0.429 0.625 0.267 0.919     253.429     260.000       6.797    2 
-    470000       94000.00      28.426     -60.820     -32.394   2.84 0.429 0.647 0.310 1.378     257.895     260.000       6.922    2 
-    480000       96000.00      19.519     -50.148     -30.629   3.51 0.357 0.667 0.239 1.994     177.089     260.000       7.015    2 
-    490000       98000.00      25.663     -46.844     -21.181   3.05 0.429 0.571 0.273 1.745     232.824     260.000       7.079    2 
-    500000      100000.00      33.879     -63.348     -29.469   2.48 0.500 0.533 0.294 1.122     307.368     260.000       6.908    2 
-    510000      102000.00      26.101     -50.944     -24.843   3.18 0.429 0.647 0.340 1.682     236.803     260.000       6.551    2 
-    520000      104000.00      26.412     -54.061     -27.649   2.85 0.571 0.500 0.281 1.809     239.624     260.000       6.456    2 
-    530000      106000.00      29.672     -58.217     -28.545   3.08 0.214 0.786 0.305 1.687     269.201     260.000       6.781    2 
-    540000      108000.00      25.619     -46.875     -21.256   4.19 0.429 0.647 0.246 1.209     232.430     260.000       6.779    2 
-    550000      110000.00      25.759     -47.109     -21.350   3.22 0.214 0.769 0.318 1.687     233.701     260.000       6.799    2 
-    560000      112000.00      24.027     -48.776     -24.749   2.97 0.143 0.867 0.255 1.673     217.987     260.000       7.155    2 
-    570000      114000.00      23.683     -43.755     -20.072   3.26 0.286 0.750 0.375 1.579     214.864     260.000       6.842    2 
-    580000      116000.00      26.967     -48.613     -21.646   3.17 0.429 0.667 0.323 1.412     244.661     260.000       6.776    2 
-    590000      118000.00      30.077     -54.094     -24.017   3.50 0.286 0.750 0.259 0.960     272.870     260.000       6.839    2 
-    600000      120000.00      29.694     -65.192     -35.498   3.10 0.429 0.667 0.301 0.919     269.397     260.000       6.893    2 
-    610000      122000.00      19.905     -44.012     -24.107   3.13 0.429 0.625 0.307 2.392     180.588     260.000       7.126    2 
-    620000      124000.00      20.043     -52.047     -32.004   3.11 0.500 0.650 0.286 1.358     181.837     260.000       7.067    2 
-    630000      126000.00      24.271     -55.328     -31.057   3.11 0.357 0.615 0.241 1.221     220.199     260.000       7.114    2 
-    640000      128000.00      27.274     -50.399     -23.125   4.00 0.357 0.688 0.276 2.937     247.445     260.000       7.038    2 
-    650000      130000.00      23.368     -54.388     -31.020   2.99 0.214 0.750 0.246 0.950     212.003     260.000       6.987    2 
-    660000      132000.00      23.276     -50.685     -27.409   2.82 0.286 0.765 0.257 1.208     211.170     260.000       6.724    2 
-    670000      134000.00      29.472     -45.146     -15.674   3.12 0.214 0.750 0.265 2.050     267.382     260.000       6.924    2 
-    680000      136000.00      22.847     -45.574     -22.727   4.12 0.286 0.692 0.220 1.054     207.283     260.000       7.631    2 
-    690000      138000.00      20.583     -51.132     -30.549   2.96 0.286 0.733 0.291 2.255     186.735     260.000       6.608    2 
-    700000      140000.00      28.956     -58.478     -29.523   2.53 0.571 0.652 0.245 1.092     262.700     260.000       6.655    2 
-    710000      142000.00      25.905     -49.233     -23.328   3.28 0.429 0.500 0.208 1.212     235.023     260.000       7.615    2 
-    720000      144000.00      19.108     -64.390     -45.282   2.99 0.357 0.615 0.262 2.179     173.362     260.000       6.836    2 
-    730000      146000.00      22.646     -52.883     -30.237   2.68 0.500 0.632 0.311 1.698     205.454     260.000       6.808    2 
-    740000      148000.00      24.108     -59.466     -35.358   2.60 0.357 0.706 0.299 1.105     218.717     260.000       6.785    2 
-    750000      150000.00      20.677     -48.686     -28.009   2.78 0.357 0.545 0.215 1.376     187.596     260.000       7.170    2 
-    760000      152000.00      23.505     -50.197     -26.692   4.00 0.143 0.882 0.350 1.386     213.249     260.000       7.030    2 
-    770000      154000.00      19.582     -60.144     -40.563   4.66 0.143 0.846 0.276 1.598     177.656     260.000       7.018    2 
-    780000      156000.00      25.750     -41.832     -16.082   3.75 0.286 0.636 0.256 2.708     233.621     260.000       7.208    2 
-    790000      158000.00      25.323     -58.059     -32.736   4.59 0.143 0.867 0.388 1.523     229.739     260.000       7.004    2 
-    800000      160000.00      21.546     -52.745     -31.199   3.53 0.357 0.643 0.227 1.428     195.480     260.000       7.525    2 
-    810000      162000.00      23.634     -46.609     -22.975   4.66 0.143 0.800 0.232 0.713     214.416     260.000       7.134    2 
-    820000      164000.00      24.216     -53.423     -29.207   4.53 0.286 0.765 0.257 2.211     219.701     260.000       6.891    2 
-    830000      166000.00      26.481     -45.004     -18.524   4.44 0.286 0.667 0.235 1.618     240.248     260.000       7.600    2 
-    840000      168000.00      25.683     -54.653     -28.969   4.33 0.286 0.800 0.345 1.464     233.012     260.000       7.211    2 
-    850000      170000.00      29.446     -55.621     -26.175   4.62 0.214 0.812 0.267 1.473     267.150     260.000       7.157    2 
-    860000      172000.00      24.397     -55.393     -30.996   4.66 0.214 0.812 0.293 1.248     221.340     260.000       6.653    2 
-    870000      174000.00      20.650     -57.500     -36.850   4.53 0.214 0.833 0.301 0.828     187.344     260.000       6.756    2 
-    880000      176000.00      19.927     -52.192     -32.265   4.54 0.143 0.846 0.336 1.087     180.787     260.000       6.866    2 
-    890000      178000.00      26.541     -54.103     -27.562   4.73 0.143 0.875 0.278 2.187     240.793     260.000       7.273    2 
-    900000      180000.00      22.793     -42.872     -20.079   3.66 0.286 0.600 0.359 1.741     206.789     260.000       7.433    2 
-    910000      182000.00      29.149     -37.035      -7.886   4.23 0.214 0.750 0.258 2.061     264.455     270.000       7.086    2 
-    920000      184000.00      25.147     -42.240     -17.094   2.64 0.500 0.462 0.255 2.248     228.145     270.000       6.935    2 
-    930000      186000.00      25.105     -45.110     -20.005   3.39 0.357 0.667 0.324 1.923     227.763     270.000       6.588    2 
-    940000      188000.00      30.916     -48.075     -17.159   3.06 0.357 0.615 0.311 1.686     280.482     270.000       6.556    2 
-    950000      190000.00      24.640     -39.961     -15.321   3.34 0.500 0.417 0.371 1.418     223.550     270.000       6.980    2 
-    960000      192000.00      24.621     -39.469     -14.848   3.07 0.357 0.615 0.234 2.522     223.372     270.000       6.691    2 
-    970000      194000.00      21.537     -35.322     -13.785   3.05 0.214 0.700 0.232 2.109     195.396     270.000       7.073    2 
-    980000      196000.00      31.070     -44.457     -13.387   4.15 0.286 0.778 0.404 1.919     281.882     270.000       6.583    2 
-    990000      198000.00      26.082     -29.059      -2.977   3.85 0.286 0.714 0.315 1.517     236.632     270.000       6.892    2 
-   1000000      200000.00      30.685     -48.315     -17.630   3.33 0.500 0.533 0.306 1.144     278.387     270.000       6.554    2 
+     10000        2000.00      24.270     -30.481      -6.211   6.25 0.143 0.778 0.268 1.502     220.192     270.000       8.509    2 
+     20000        4000.00      31.768     -36.510      -4.743   6.47 0.214 0.667 0.212 1.165     288.213     270.000       7.655    2 
+     30000        6000.00      27.164     -38.153     -10.990   2.13 0.357 0.500 0.295 1.488     246.442     270.000       6.728    2 
+     40000        8000.00      25.842     -54.575     -28.733   3.16 0.286 0.667 0.261 0.503     234.451     270.000       6.623    2 
+     50000       10000.00      29.209     -43.855     -14.646   2.90 0.357 0.615 0.343 1.418     264.998     270.000       7.159    2 
+     60000       12000.00      28.243     -42.886     -14.643   3.30 0.429 0.455 0.285 1.235     256.233     270.000       6.750    2 
+     70000       14000.00      21.401     -44.858     -23.457   2.53 0.286 0.429 0.247 1.189     194.160     270.000       7.453    2 
+     80000       16000.00      34.592     -46.811     -12.219   3.73 0.429 0.625 0.304 1.587     313.840     270.000       6.786    2 
+     90000       18000.00      22.103     -36.681     -14.578   4.23 0.071 0.875 0.335 1.273     200.530     270.000       6.861    2 
+    100000       20000.00      27.420     -36.023      -8.604   3.75 0.286 0.600 0.273 0.556     248.764     270.000       7.500    2 
+    110000       22000.00      31.739     -34.135      -2.397   5.61 0.286 0.692 0.416 1.653     287.949     310.000       7.055    2 
+    120000       24000.00      31.919     -12.965      18.954   8.18 0.214 0.700 0.191 1.482     289.587     310.000       9.957    2 
+    130000       26000.00      34.441     -23.102      11.339   4.52 0.071 0.900 0.314 1.378     312.464     310.000       8.393    2 
+    140000       28000.00      33.142     -30.952       2.191   4.75 0.214 0.750 0.402 1.266     300.685     310.000       7.408    2 
+    150000       30000.00      24.541     -16.306       8.236   5.43 0.143 0.714 0.260 1.896     222.651     310.000       7.102    2 
+    160000       32000.00      31.502     -12.453      19.049   4.76 0.286 0.600 0.259 1.925     285.801     310.000       7.202    2 
+    170000       34000.00      30.259     -22.434       7.825   4.16 0.286 0.667 0.428 1.291     274.526     310.000       6.772    2 
+    180000       36000.00      26.765     -20.000       6.764   4.09 0.143 0.833 0.352 1.140     242.825     310.000       7.123    2 
+    190000       38000.00      23.401     -14.879       8.523   6.07 0.071 0.667 0.530 1.242     212.309     310.000       8.003    2 
+    200000       40000.00      29.220     -11.137      18.083   4.08 0.143 0.750 0.324 2.010     265.097     310.000       7.563    2 
+    210000       42000.00      37.487     -16.752      20.735   5.73 0.143 0.800 0.355 2.545     340.099     300.000       7.091    2 
+    220000       44000.00      34.463     -24.864       9.598   6.51 0.071 0.900 0.336 1.695     312.663     300.000       6.676    2 
+    230000       46000.00      25.595     -29.040      -3.444   4.32 0.071 0.889 0.384 1.848     232.214     300.000       7.134    2 
+    240000       48000.00      31.023     -31.829      -0.806   3.40 0.214 0.750 0.242 0.819     281.453     300.000       7.614    2 
+    250000       50000.00      24.835     -27.699      -2.864   5.13 0.214 0.700 0.414 1.464     225.315     300.000       6.986    2 
+    260000       52000.00      28.315     -17.079      11.236   4.98 0.000 1.000 0.236 2.074     256.889     300.000       7.080    2 
+    270000       54000.00      31.555     -29.230       2.325   3.86 0.214 0.571 0.286 2.387     286.284     300.000       7.702    2 
+    280000       56000.00      27.662     -35.775      -8.113   4.92 0.214 0.700 0.209 1.646     250.967     300.000       7.605    2 
+    290000       58000.00      31.950     -37.321      -5.371   3.85 0.143 0.800 0.405 1.769     289.869     300.000       7.264    2 
+    300000       60000.00      26.085     -23.169       2.916   4.90 0.143 0.750 0.307 1.610     236.653     300.000       8.128    2 
+    310000       62000.00      27.467     -43.537     -16.070   4.46 0.286 0.636 0.293 1.978     249.198     290.000       7.001    2 
+    320000       64000.00      24.996     -31.975      -6.979   3.80 0.286 0.692 0.322 2.073     226.776     290.000       6.889    2 
+    330000       66000.00      21.400     -28.762      -7.362   5.30 0.214 0.727 0.289 1.084     194.156     290.000       7.483    2 
+    340000       68000.00      27.550     -22.426       5.124   5.63 0.286 0.714 0.442 1.282     249.948     290.000       7.210    2 
+    350000       70000.00      31.822     -43.974     -12.152   6.04 0.214 0.833 0.417 1.336     288.707     290.000       6.583    2 
+    360000       72000.00      31.265     -35.706      -4.441   5.73 0.286 0.556 0.197 1.313     283.655     290.000       7.487    2 
+    370000       74000.00      32.361     -33.495      -1.134   4.73 0.071 0.833 0.341 2.610     293.597     290.000       7.202    2 
+    380000       76000.00      33.523     -32.595       0.928   5.72 0.286 0.667 0.314 1.232     304.140     290.000       6.774    2 
+    390000       78000.00      31.922     -32.996      -1.074   3.83 0.571 0.429 0.266 1.023     289.614     290.000       7.215    2 
+    400000       80000.00      32.179     -26.599       5.580   4.35 0.000 1.000 0.293 1.619     291.943     290.000       7.401    2 
+    410000       82000.00      35.174     -28.079       7.096   4.87 0.214 0.667 0.328 1.699     319.118     300.000       7.534    2 
+    420000       84000.00      34.389     -23.523      10.866   5.09 0.214 0.667 0.253 1.078     311.993     300.000       7.741    2 
+    430000       86000.00      32.435     -24.997       7.437   4.81 0.286 0.200 0.182 0.971     294.263     300.000       7.733    2 
+    440000       88000.00      28.997     -39.185     -10.187   4.41 0.143 0.833 0.367 1.621     263.078     300.000       7.253    2 
+    450000       90000.00      34.766     -36.903      -2.138   4.31 0.429 0.600 0.376 1.154     315.411     300.000       6.726    2 
+    460000       92000.00      31.673     -16.760      14.913   2.86 0.357 0.375 0.233 3.158     287.354     300.000       7.496    2 
+    470000       94000.00      30.935     -29.609       1.326   3.56 0.357 0.500 0.350 1.835     280.660     300.000       6.787    2 
+    480000       96000.00      23.829     -33.407      -9.578   2.98 0.143 0.818 0.339 1.724     216.191     300.000       6.718    2 
+    490000       98000.00      27.125     -13.874      13.251   4.17 0.357 0.286 0.338 1.998     246.089     300.000       7.424    2 
+    500000      100000.00      34.695     -25.234       9.462   4.86 0.143 0.800 0.359 3.158     314.775     300.000       6.740    2 
+    510000      102000.00      30.688     -17.935      12.754   3.61 0.000 1.000 0.167 1.213     278.422     300.000       7.831    2 
+    520000      104000.00      31.738     -33.684      -1.947   5.94 0.071 0.909 0.426 0.979     287.942     300.000       7.143    2 
+    530000      106000.00      30.884     -28.992       1.892   4.49 0.286 0.600 0.305 2.666     280.194     300.000       7.281    2 
+    540000      108000.00      26.914     -24.265       2.649   6.57 0.214 0.571 0.182 1.823     244.177     300.000       8.713    2 
+    550000      110000.00      29.887     -25.724       4.163   4.99 0.214 0.727 0.401 1.684     271.153     300.000       7.041    2 
+    560000      112000.00      25.435     -32.137      -6.702   5.33 0.214 0.700 0.259 2.525     230.760     300.000       7.007    2 
+    570000      114000.00      31.041     -32.715      -1.673   5.79 0.214 0.750 0.277 2.201     281.623     300.000       7.051    2 
+    580000      116000.00      26.444     -25.970       0.474   4.48 0.214 0.786 0.396 2.349     239.914     300.000       6.640    2 
+    590000      118000.00      28.747     -21.516       7.230   6.77 0.071 0.833 0.250 1.398     260.803     300.000       8.884    2 
+    600000      120000.00      33.731     -30.796       2.935   4.83 0.286 0.429 0.169 1.094     306.024     300.000       7.850    2 
+    610000      122000.00      25.302     -39.353     -14.051   5.91 0.143 0.800 0.286 1.629     229.549     290.000       7.039    2 
+    620000      124000.00      21.081     -29.071      -7.990   5.01 0.286 0.500 0.210 2.373     191.259     290.000       7.501    2 
+    630000      126000.00      25.524     -35.866     -10.342   6.89 0.286 0.667 0.208 1.666     231.568     290.000       7.325    2 
+    640000      128000.00      30.040     -33.459      -3.420   5.24 0.214 0.700 0.355 2.536     272.536     290.000       6.911    2 
+    650000      130000.00      28.138     -43.306     -15.168   4.91 0.357 0.500 0.227 2.350     255.284     290.000       6.989    2 
+    660000      132000.00      35.613     -31.278       4.335   6.31 0.000 1.000 0.235 1.995     323.096     290.000       7.626    2 
+    670000      134000.00      27.131     -28.614      -1.483   4.60 0.357 0.615 0.266 2.033     246.149     290.000       7.231    2 
+    680000      136000.00      28.670     -26.689       1.981   4.37 0.143 0.714 0.201 2.410     260.105     290.000       8.316    2 
+    690000      138000.00      27.275     -32.824      -5.549   3.99 0.214 0.700 0.259 0.904     247.449     290.000       7.580    2 
+    700000      140000.00      28.375     -27.394       0.981   5.47 0.214 0.625 0.182 2.173     257.433     290.000       8.215    2 
+    710000      142000.00      27.617     -39.196     -11.579   5.07 0.429 0.400 0.277 1.337     250.558     280.000       6.880    2 
+    720000      144000.00      19.299     -44.589     -25.291   5.41 0.357 0.643 0.279 1.372     175.090     280.000       6.515    2 
+    730000      146000.00      28.246     -45.040     -16.794   5.14 0.143 0.667 0.273 1.364     256.264     280.000       7.648    2 
+    740000      148000.00      26.364     -39.990     -13.626   2.63 0.357 0.688 0.324 1.541     239.191     280.000       6.445    2 
+    750000      150000.00      21.811     -36.685     -14.874   4.56 0.214 0.727 0.236 1.217     197.883     280.000       7.332    2 
+    760000      152000.00      25.179     -29.895      -4.716   4.99 0.143 0.667 0.227 0.976     228.437     280.000       7.686    2 
+    770000      154000.00      16.901     -44.518     -27.617   4.84 0.357 0.688 0.352 1.502     153.335     280.000       6.618    2 
+    780000      156000.00      29.008     -47.253     -18.246   6.13 0.214 0.700 0.223 1.291     263.171     280.000       6.989    2 
+    790000      158000.00      27.307     -45.332     -18.026   4.53 0.357 0.545 0.194 1.198     247.739     280.000       7.241    2 
+    800000      160000.00      25.952     -44.902     -18.950   5.23 0.286 0.636 0.310 1.358     235.448     280.000       7.010    2 
+    810000      162000.00      24.568     -41.152     -16.584   4.90 0.214 0.727 0.409 0.953     222.896     270.000       6.832    2 
+    820000      164000.00      28.652     -36.212      -7.560   4.67 0.214 0.667 0.227 2.004     259.947     270.000       7.385    2 
+    830000      166000.00      26.393     -32.836      -6.443   5.26 0.357 0.615 0.280 1.658     239.447     270.000       7.042    2 
+    840000      168000.00      29.194     -42.934     -13.740   4.86 0.214 0.769 0.294 1.310     264.865     270.000       6.675    2 
+    850000      170000.00      26.337     -37.603     -11.266   4.82 0.143 0.750 0.278 2.310     238.944     270.000       6.881    2 
+    860000      172000.00      27.999     -45.624     -17.626   4.64 0.286 0.636 0.289 2.305     254.017     270.000       7.113    2 
+    870000      174000.00      21.506     -44.440     -22.934   5.68 0.214 0.625 0.199 1.420     195.116     270.000       7.391    2 
+    880000      176000.00      23.974     -43.235     -19.260   4.59 0.214 0.667 0.237 2.005     217.507     270.000       7.077    2 
+    890000      178000.00      20.026     -35.372     -15.347   4.67 0.286 0.692 0.322 1.947     181.684     270.000       6.726    2 
+    900000      180000.00      25.042     -47.917     -22.874   4.63 0.214 0.769 0.339 1.348     227.198     270.000       6.538    2 
+    910000      182000.00      37.315     -40.023      -2.708   4.61 0.286 0.636 0.285 1.308     338.543     280.000       7.116    2 
+    920000      184000.00      24.649     -30.906      -6.257   5.21 0.214 0.625 0.210 2.315     223.626     280.000       7.678    2 
+    930000      186000.00      27.396     -34.482      -7.086   6.40 0.143 0.714 0.149 1.453     248.547     280.000       9.808    2 
+    940000      188000.00      32.318     -35.372      -3.054   5.56 0.214 0.667 0.197 2.126     293.206     280.000       7.567    2 
+    950000      190000.00      26.060     -39.313     -13.253   5.08 0.214 0.625 0.193 1.491     236.429     280.000       7.305    2 
+    960000      192000.00      21.886     -30.500      -8.614   3.66 0.286 0.429 0.260 2.024     198.563     280.000       7.633    2 
+    970000      194000.00      25.954     -24.235       1.720   4.32 0.286 0.333 0.167 1.704     235.472     280.000       8.142    2 
+    980000      196000.00      29.235     -23.492       5.743   4.90 0.286 0.667 0.227 1.697     265.235     280.000       7.053    2 
+    990000      198000.00      30.753     -49.445     -18.693   5.70 0.214 0.800 0.300 1.950     279.004     280.000       6.791    2 
+   1000000      200000.00      38.043     -36.896       1.147   4.71 0.071 0.889 0.490 1.295     345.144     280.000       6.905    2 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB003.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB003.stat
index 03d2ba0..8c89e50 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB003.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB003.stat
@@ -1,101 +1,101 @@
          0           0.00      26.454      24.932      51.385  12.87 0.000   NaN   NaN 0.709     240.001     280.000      15.552    3 
-     10000        2000.00      31.373     -17.701      13.673   7.69 0.071 0.800 0.182 0.883     284.635     280.000      10.846    3 
-     20000        4000.00      27.220     -36.830      -9.609   5.28 0.286 0.765 0.340 1.547     246.958     280.000       6.969    3 
-     30000        6000.00      23.343     -33.545     -10.202   4.98 0.214 0.800 0.355 1.086     211.783     280.000       7.041    3 
-     40000        8000.00      25.541     -38.745     -13.204   4.99 0.214 0.800 0.324 1.478     231.719     280.000       6.849    3 
-     50000       10000.00      28.202     -27.023       1.179   5.04 0.143 0.867 0.303 1.753     255.864     280.000       7.311    3 
-     60000       12000.00      32.367     -29.729       2.638   4.67 0.000 1.000 0.256 0.972     293.652     280.000       7.412    3 
-     70000       14000.00      31.334     -36.504      -5.170   5.63 0.071 0.923 0.297 1.122     284.280     280.000       6.918    3 
-     80000       16000.00      31.127     -36.874      -5.746   5.56 0.214 0.667 0.288 2.326     282.402     280.000       7.791    3 
-     90000       18000.00      19.808     -24.021      -4.213   6.01 0.071 0.833 0.280 0.663     179.710     280.000       9.820    3 
-    100000       20000.00      28.916     -31.303      -2.386   5.42 0.071 0.875 0.295 1.596     262.342     280.000       7.614    3 
-    110000       22000.00      21.548     -41.512     -19.964   4.76 0.214 0.786 0.409 2.058     195.498     270.000       8.307    3 
-    120000       24000.00      26.074     -39.915     -13.841   4.95 0.214 0.727 0.368 0.805     236.555     270.000       8.857    3 
-    130000       26000.00      27.001     -39.785     -12.784   4.15 0.214 0.750 0.277 1.843     244.964     270.000       7.298    3 
-    140000       28000.00      24.386     -45.314     -20.927   4.33 0.286 0.667 0.273 0.984     221.244     270.000       7.666    3 
-    150000       30000.00      26.357     -54.213     -27.856   4.17 0.214 0.750 0.227 1.308     239.123     270.000       7.097    3 
-    160000       32000.00      24.042     -56.533     -32.492   4.13 0.143 0.818 0.264 1.862     218.118     270.000       7.114    3 
-    170000       34000.00      26.184     -41.020     -14.835   4.70 0.143 0.750 0.205 2.588     237.559     270.000       7.669    3 
-    180000       36000.00      33.517     -36.033      -2.516   5.57 0.357 0.615 0.227 2.750     304.088     270.000       7.782    3 
-    190000       38000.00      24.524     -42.913     -18.389   4.53 0.214 0.750 0.239 2.428     222.496     270.000       7.459    3 
-    200000       40000.00      23.431     -39.996     -16.566   4.61 0.357 0.722 0.270 1.186     212.575     270.000       7.446    3 
-    210000       42000.00      26.945     -49.538     -22.593   4.20 0.214 0.800 0.327 2.405     244.463     260.000       6.894    3 
-    220000       44000.00      20.465     -55.755     -35.290   4.56 0.286 0.733 0.267 1.727     185.670     260.000       7.013    3 
-    230000       46000.00      27.907     -57.129     -29.222   4.23 0.214 0.786 0.244 0.929     253.187     260.000       7.152    3 
-    240000       48000.00      30.125     -57.665     -27.540   4.41 0.143 0.867 0.245 0.772     273.312     260.000       6.890    3 
-    250000       50000.00      25.391     -49.341     -23.950   4.39 0.214 0.769 0.231 1.534     230.360     260.000       7.143    3 
-    260000       52000.00      30.219     -48.671     -18.452   4.42 0.214 0.727 0.227 2.783     274.165     260.000       7.633    3 
-    270000       54000.00      25.096     -56.778     -31.682   4.17 0.286 0.750 0.284 2.057     227.684     260.000       7.012    3 
-    280000       56000.00      30.041     -52.953     -22.912   4.82 0.286 0.714 0.247 2.494     272.547     260.000       7.375    3 
-    290000       58000.00      23.322     -51.504     -28.183   4.60 0.286 0.714 0.266 1.207     211.586     260.000       6.941    3 
-    300000       60000.00      29.706     -54.633     -24.927   4.09 0.071 0.909 0.256 1.758     269.508     260.000       7.011    3 
-    310000       62000.00      26.826     -58.496     -31.670   4.38 0.214 0.727 0.244 1.107     243.379     250.000       7.193    3 
-    320000       64000.00      24.021     -58.932     -34.911   4.57 0.143 0.833 0.284 2.094     217.931     250.000       6.645    3 
-    330000       66000.00      24.381     -53.121     -28.740   4.40 0.286 0.714 0.231 1.136     221.199     250.000       6.767    3 
-    340000       68000.00      25.331     -58.539     -33.208   4.38 0.071 0.933 0.288 2.878     229.814     250.000       6.680    3 
-    350000       70000.00      25.434     -55.781     -30.346   4.32 0.214 0.769 0.206 1.400     230.754     250.000       6.984    3 
-    360000       72000.00      23.490     -53.575     -30.085   5.22 0.286 0.750 0.247 1.709     213.111     250.000       7.182    3 
-    370000       74000.00      21.516     -65.560     -44.044   4.19 0.071 0.929 0.273 1.340     195.201     250.000       6.572    3 
-    380000       76000.00      22.218     -48.378     -26.160   4.75 0.214 0.786 0.276 0.858     201.574     250.000       7.307    3 
-    390000       78000.00      23.074     -58.466     -35.392   4.41 0.286 0.733 0.212 0.962     209.342     250.000       7.049    3 
-    400000       80000.00      23.022     -54.414     -31.391   4.37 0.357 0.722 0.260 1.097     208.871     250.000       7.000    3 
-    410000       82000.00      23.978     -65.009     -41.031   4.87 0.286 0.765 0.235 2.182     217.538     250.000       7.009    3 
-    420000       84000.00      21.137     -55.817     -34.679   4.39 0.286 0.692 0.262 1.452     191.769     250.000       7.061    3 
-    430000       86000.00      29.992     -58.289     -28.297   4.21 0.143 0.857 0.234 4.074     272.099     250.000       6.793    3 
-    440000       88000.00      26.833     -59.427     -32.594   4.64 0.143 0.867 0.258 2.073     243.443     250.000       6.733    3 
-    450000       90000.00      22.333     -62.305     -39.971   4.30 0.286 0.778 0.235 1.268     202.618     250.000       6.910    3 
-    460000       92000.00      16.547     -56.011     -39.464   4.95 0.429 0.625 0.236 2.087     150.124     250.000       7.024    3 
-    470000       94000.00      28.701     -61.298     -32.597   4.40 0.286 0.733 0.242 1.444     260.389     250.000       6.854    3 
-    480000       96000.00      20.677     -64.949     -44.272   4.32 0.143 0.833 0.216 1.384     187.590     250.000       7.350    3 
-    490000       98000.00      27.193     -62.144     -34.950   3.95 0.429 0.667 0.306 1.599     246.711     250.000       7.236    3 
-    500000      100000.00      22.451     -64.602     -42.152   4.40 0.214 0.769 0.227 1.575     203.684     250.000       6.702    3 
-    510000      102000.00      22.028     -59.814     -37.786   4.42 0.214 0.769 0.245 1.219     199.847     250.000       6.903    3 
-    520000      104000.00      22.458     -66.863     -44.405   4.32 0.286 0.778 0.275 1.230     203.752     250.000       6.619    3 
-    530000      106000.00      22.571     -69.282     -46.711   4.16 0.214 0.786 0.256 0.906     204.773     250.000       7.013    3 
-    540000      108000.00      20.998     -65.731     -44.733   4.18 0.143 0.857 0.256 1.130     190.503     250.000       6.843    3 
-    550000      110000.00      22.008     -66.390     -44.382   4.28 0.357 0.667 0.242 0.964     199.666     250.000       6.937    3 
-    560000      112000.00      31.337     -57.066     -25.730   4.46 0.071 0.909 0.256 2.332     284.302     250.000       7.038    3 
-    570000      114000.00      23.047     -59.550     -36.503   4.27 0.286 0.750 0.247 1.871     209.095     250.000       6.723    3 
-    580000      116000.00      19.067     -63.722     -44.655   4.40 0.143 0.833 0.269 0.841     172.990     250.000       6.965    3 
-    590000      118000.00      31.603     -62.185     -30.582   4.94 0.357 0.688 0.259 1.191     286.720     250.000       6.966    3 
-    600000      120000.00      23.942     -66.731     -42.790   4.27 0.143 0.833 0.242 1.838     217.211     250.000       6.763    3 
-    610000      122000.00      29.256     -56.551     -27.295   5.34 0.143 0.818 0.277 1.426     265.426     250.000       7.330    3 
-    620000      124000.00      23.872     -51.958     -28.086   4.80 0.286 0.765 0.251 1.409     216.582     250.000       7.101    3 
-    630000      126000.00      26.150     -57.984     -31.834   4.45 0.214 0.800 0.294 1.798     237.245     250.000       6.864    3 
-    640000      128000.00      23.098     -60.963     -37.865   4.33 0.357 0.615 0.220 1.163     209.553     250.000       7.165    3 
-    650000      130000.00      19.482     -59.802     -40.320   4.49 0.071 0.909 0.240 0.917     176.751     250.000       6.852    3 
-    660000      132000.00      19.299     -52.764     -33.465   4.21 0.357 0.667 0.273 1.975     175.095     250.000       6.892    3 
-    670000      134000.00      23.754     -53.729     -29.974   4.14 0.286 0.733 0.255 1.723     215.513     250.000       6.674    3 
-    680000      136000.00      30.562     -66.023     -35.461   4.28 0.143 0.857 0.260 1.571     277.271     250.000       6.924    3 
-    690000      138000.00      29.194     -63.737     -34.544   4.46 0.071 0.923 0.259 1.288     264.859     250.000       6.906    3 
-    700000      140000.00      33.609     -67.117     -33.508   4.39 0.214 0.800 0.258 1.446     304.919     250.000       6.919    3 
-    710000      142000.00      15.754     -60.115     -44.362   4.46 0.214 0.727 0.264 1.243     142.927     250.000       7.072    3 
-    720000      144000.00      22.118     -63.516     -41.398   4.78 0.214 0.769 0.259 0.812     200.663     250.000       6.927    3 
-    730000      146000.00      23.291     -63.971     -40.680   5.15 0.357 0.762 0.268 1.925     211.307     250.000       7.169    3 
-    740000      148000.00      22.681     -56.285     -33.603   4.37 0.286 0.750 0.281 1.499     205.776     250.000       6.809    3 
-    750000      150000.00      25.796     -56.181     -30.385   4.42 0.143 0.857 0.263 1.725     234.035     250.000       6.882    3 
-    760000      152000.00      27.766     -63.954     -36.188   4.10 0.214 0.842 0.342 2.504     251.908     250.000       6.959    3 
-    770000      154000.00      25.849     -72.322     -46.473   4.56 0.214 0.769 0.262 1.545     234.515     250.000       7.004    3 
-    780000      156000.00      23.455     -63.134     -39.680   4.57 0.143 0.818 0.219 1.477     212.793     250.000       7.090    3 
-    790000      158000.00      34.334     -55.992     -21.658   4.41 0.286 0.714 0.260 2.699     311.498     250.000       7.005    3 
-    800000      160000.00      25.292     -61.132     -35.840   4.18 0.286 0.733 0.252 1.538     229.461     250.000       6.637    3 
-    810000      162000.00      24.120     -65.058     -40.938   4.11 0.286 0.714 0.269 1.451     218.830     250.000       6.961    3 
-    820000      164000.00      30.377     -58.617     -28.240   4.40 0.286 0.765 0.249 1.650     275.594     250.000       6.767    3 
-    830000      166000.00      27.133     -52.885     -25.752   4.53 0.286 0.750 0.244 1.226     246.166     250.000       6.671    3 
-    840000      168000.00      26.137     -62.248     -36.111   4.66 0.286 0.692 0.220 2.008     237.131     250.000       7.259    3 
-    850000      170000.00      23.466     -63.022     -39.556   4.42 0.071 0.929 0.282 2.185     212.896     250.000       6.826    3 
-    860000      172000.00      26.641     -55.936     -29.295   4.39 0.286 0.750 0.247 1.321     241.699     250.000       6.775    3 
-    870000      174000.00      19.343     -59.108     -39.765   4.28 0.286 0.714 0.244 1.613     175.489     250.000       6.965    3 
-    880000      176000.00      28.943     -60.173     -31.230   4.41 0.143 0.857 0.286 2.085     262.590     250.000       6.832    3 
-    890000      178000.00      24.118     -65.319     -41.201   4.60 0.214 0.812 0.241 1.232     218.809     250.000       6.886    3 
-    900000      180000.00      26.401     -65.791     -39.390   4.25 0.357 0.688 0.253 1.796     239.524     250.000       6.698    3 
-    910000      182000.00      27.636     -57.188     -29.551   4.23 0.143 0.867 0.255 1.449     250.732     250.000       6.854    3 
-    920000      184000.00      22.133     -62.218     -40.084   4.54 0.071 0.923 0.245 1.932     200.805     250.000       6.799    3 
-    930000      186000.00      29.641     -60.080     -30.439   4.50 0.143 0.818 0.269 2.179     268.918     250.000       6.804    3 
-    940000      188000.00      25.624     -63.367     -37.742   5.18 0.214 0.800 0.252 2.167     232.478     250.000       7.055    3 
-    950000      190000.00      17.895     -55.480     -37.585   4.68 0.286 0.667 0.212 2.043     162.352     250.000       7.535    3 
-    960000      192000.00      21.660     -59.977     -38.317   4.24 0.214 0.812 0.270 0.884     196.514     250.000       6.774    3 
-    970000      194000.00      22.445     -56.576     -34.131   4.66 0.214 0.842 0.280 1.499     203.631     250.000       6.898    3 
-    980000      196000.00      19.875     -58.568     -38.693   4.45 0.286 0.765 0.249 1.432     180.313     250.000       6.681    3 
-    990000      198000.00      17.081     -60.304     -43.223   4.55 0.286 0.733 0.239 1.217     154.967     250.000       6.607    3 
-   1000000      200000.00      30.219     -58.365     -28.146   4.31 0.143 0.833 0.258 2.911     274.160     250.000       6.800    3 
+     10000        2000.00      30.854     -34.839      -3.985   5.35 0.214 0.667 0.551 1.235     279.927     280.000       7.612    3 
+     20000        4000.00      25.586     -32.007      -6.421   5.05 0.429 0.538 0.451 2.105     232.131     280.000       6.824    3 
+     30000        6000.00      21.664     -35.510     -13.845   3.58 0.357 0.500 0.309 1.980     196.549     280.000       7.649    3 
+     40000        8000.00      24.566     -27.803      -3.237   2.82 0.357 0.545 0.194 1.947     222.873     280.000       7.121    3 
+     50000       10000.00      31.133     -38.381      -7.248   2.78 0.500 0.500 0.289 3.422     282.458     280.000       6.789    3 
+     60000       12000.00      28.725     -32.911      -4.186   2.96 0.214 0.750 0.311 1.815     260.610     280.000       6.872    3 
+     70000       14000.00      33.460     -28.095       5.365   3.63 0.214 0.667 0.242 0.830     303.567     280.000       7.500    3 
+     80000       16000.00      30.960     -38.693      -7.733   2.86 0.357 0.545 0.277 2.311     280.885     280.000       6.793    3 
+     90000       18000.00      22.008     -39.420     -17.412   5.28 0.357 0.615 0.280 1.334     199.667     280.000       7.574    3 
+    100000       20000.00      26.675     -29.888      -3.213   5.22 0.071 0.857 0.318 1.131     242.011     280.000       7.703    3 
+    110000       22000.00      19.219     -30.689     -11.470   4.97 0.071 0.889 0.374 1.664     174.367     270.000       6.937    3 
+    120000       24000.00      23.479     -38.784     -15.305   4.40 0.214 0.667 0.404 1.036     213.013     270.000       7.440    3 
+    130000       26000.00      30.035     -41.598     -11.562   4.17 0.214 0.727 0.273 3.230     272.496     270.000       7.579    3 
+    140000       28000.00      22.924     -48.293     -25.369   4.27 0.143 0.833 0.348 1.094     207.978     270.000       6.927    3 
+    150000       30000.00      26.294     -46.736     -20.443   4.54 0.286 0.600 0.268 1.494     238.550     270.000       7.035    3 
+    160000       32000.00      23.210     -41.070     -17.860   5.03 0.357 0.615 0.311 2.097     210.577     270.000       6.862    3 
+    170000       34000.00      28.641     -29.916      -1.274   6.10 0.214 0.625 0.188 1.656     259.849     270.000       8.750    3 
+    180000       36000.00      26.456     -34.460      -8.004   4.58 0.429 0.500 0.235 1.787     240.024     270.000       7.648    3 
+    190000       38000.00      22.985     -46.252     -23.267   4.21 0.429 0.538 0.224 1.628     208.533     270.000       7.024    3 
+    200000       40000.00      24.908     -29.396      -4.487   5.34 0.143 0.714 0.305 1.086     225.982     270.000       6.844    3 
+    210000       42000.00      28.086     -34.437      -6.351   3.66 0.357 0.500 0.327 1.855     254.809     280.000       6.605    3 
+    220000       44000.00      27.535     -48.056     -20.522   3.64 0.286 0.765 0.313 1.399     249.810     280.000       6.603    3 
+    230000       46000.00      27.335     -26.505       0.830   3.48 0.286 0.636 0.211 2.265     247.997     280.000       7.341    3 
+    240000       48000.00      29.698     -39.314      -9.616   2.89 0.500 0.500 0.221 1.505     269.439     280.000       6.803    3 
+    250000       50000.00      27.773     -37.241      -9.468   3.01 0.429 0.455 0.347 2.054     251.971     280.000       6.626    3 
+    260000       52000.00      30.922     -48.741     -17.819   3.96 0.357 0.737 0.416 0.990     280.539     280.000       6.363    3 
+    270000       54000.00      26.898     -42.963     -16.065   3.20 0.357 0.545 0.211 2.367     244.031     280.000       7.201    3 
+    280000       56000.00      32.923     -43.155     -10.233   6.31 0.286 0.636 0.207 1.800     298.690     280.000       7.762    3 
+    290000       58000.00      25.006     -39.796     -14.789   5.43 0.286 0.600 0.277 1.726     226.872     280.000       7.112    3 
+    300000       60000.00      42.068     -36.830       5.238   4.52 0.571 0.467 0.315 0.965     381.660     280.000       6.881    3 
+    310000       62000.00      26.716     -45.658     -18.942   4.90 0.214 0.667 0.389 1.407     242.379     270.000       6.956    3 
+    320000       64000.00      25.785     -47.015     -21.230   5.33 0.214 0.700 0.259 2.047     233.932     270.000       6.805    3 
+    330000       66000.00      28.361     -44.583     -16.222   5.27 0.357 0.500 0.227 1.579     257.305     270.000       7.130    3 
+    340000       68000.00      30.130     -46.767     -16.637   6.02 0.214 0.833 0.348 1.986     273.356     270.000       6.447    3 
+    350000       70000.00      31.497     -51.563     -20.067   5.16 0.214 0.824 0.364 1.144     285.754     270.000       6.779    3 
+    360000       72000.00      25.145     -42.652     -17.507   5.51 0.357 0.444 0.197 1.565     228.125     270.000       7.522    3 
+    370000       74000.00      26.239     -48.876     -22.637   4.29 0.214 0.750 0.348 1.424     238.058     270.000       6.916    3 
+    380000       76000.00      27.797     -37.688      -9.891   4.53 0.286 0.500 0.244 1.163     252.191     270.000       7.447    3 
+    390000       78000.00      29.878     -43.104     -13.226   4.40 0.357 0.500 0.218 1.534     271.066     270.000       7.228    3 
+    400000       80000.00      26.973     -44.125     -17.152   4.94 0.500 0.588 0.313 2.826     244.713     270.000       6.676    3 
+    410000       82000.00      28.690     -41.702     -13.012   4.42 0.214 0.700 0.277 1.322     260.293     270.000       7.284    3 
+    420000       84000.00      21.454     -48.264     -26.810   4.79 0.286 0.636 0.298 2.686     194.644     270.000       6.777    3 
+    430000       86000.00      30.131     -43.721     -13.590   5.61 0.357 0.545 0.202 1.329     273.363     270.000       7.076    3 
+    440000       88000.00      28.496     -36.928      -8.432   5.64 0.429 0.500 0.288 1.975     258.528     270.000       6.919    3 
+    450000       90000.00      27.759     -43.062     -15.302   4.35 0.357 0.688 0.318 0.820     251.847     270.000       7.052    3 
+    460000       92000.00      21.714     -43.380     -21.666   4.89 0.143 0.778 0.227 1.580     196.999     270.000       7.577    3 
+    470000       94000.00      31.889     -49.456     -17.567   4.91 0.357 0.667 0.339 2.491     289.311     270.000       6.896    3 
+    480000       96000.00      24.227     -29.669      -5.442   3.88 0.286 0.500 0.176 1.476     219.802     270.000       8.005    3 
+    490000       98000.00      24.465     -36.852     -12.387   4.53 0.357 0.615 0.343 1.816     221.959     270.000       7.099    3 
+    500000      100000.00      26.373     -36.597     -10.224   5.39 0.143 0.846 0.455 0.767     239.268     270.000       7.383    3 
+    510000      102000.00      32.230     -29.742       2.488   3.18 0.357 0.615 0.322 2.197     292.404     290.000       6.724    3 
+    520000      104000.00      24.273     -28.904      -4.630   3.55 0.286 0.636 0.182 1.503     220.219     290.000       7.711    3 
+    530000      106000.00      28.309     -41.892     -13.583   2.79 0.286 0.636 0.256 2.491     256.830     290.000       7.131    3 
+    540000      108000.00      25.995     -29.196      -3.201   4.74 0.214 0.667 0.303 1.098     235.839     290.000       7.587    3 
+    550000      110000.00      24.304     -17.465       6.838   7.72 0.143 0.778 0.217 1.297     220.495     290.000      10.111    3 
+    560000      112000.00      27.710     -18.275       9.435   5.89 0.071 0.750 0.159 3.072     251.402     290.000       8.032    3 
+    570000      114000.00      28.205     -35.688      -7.483   7.15 0.429 0.500 0.189 0.913     255.887     290.000       8.009    3 
+    580000      116000.00      24.047     -46.335     -22.288   3.92 0.143 0.818 0.343 1.905     218.165     290.000       6.634    3 
+    590000      118000.00      32.441     -37.686      -5.244   3.78 0.357 0.500 0.418 1.518     294.326     290.000       6.566    3 
+    600000      120000.00      30.083     -39.356      -9.273   3.70 0.286 0.636 0.446 2.187     272.933     290.000       6.716    3 
+    610000      122000.00      39.816     -13.629      26.188   3.76 0.286 0.200 0.173 1.299     361.234     300.000       7.789    3 
+    620000      124000.00      33.133     -39.954      -6.821   3.48 0.429 0.538 0.273 2.548     300.599     300.000       7.447    3 
+    630000      126000.00      28.510     -15.289      13.221   4.72 0.214 0.571 0.162 2.452     258.653     300.000       8.086    3 
+    640000      128000.00      30.015     -31.501      -1.486   5.35 0.214 0.700 0.345 1.009     272.311     300.000       7.101    3 
+    650000      130000.00      26.197     -21.424       4.773   5.19 0.214 0.700 0.305 2.265     237.670     300.000       7.148    3 
+    660000      132000.00      31.368     -29.910       1.457   5.12 0.214 0.750 0.265 3.599     284.583     300.000       7.427    3 
+    670000      134000.00      30.278     -25.203       5.074   5.94 0.286 0.429 0.208 2.178     274.695     300.000       7.593    3 
+    680000      136000.00      29.470     -32.250      -2.780   4.09 0.214 0.769 0.339 1.494     267.369     300.000       7.303    3 
+    690000      138000.00      33.493     -13.692      19.801   4.77 0.214 0.700 0.214 1.713     303.868     300.000       7.825    3 
+    700000      140000.00      30.114     -35.799      -5.685   4.65 0.214 0.727 0.248 1.804     273.213     300.000       7.188    3 
+    710000      142000.00      18.440     -34.237     -15.798   3.12 0.571 0.385 0.276 0.778     167.293     290.000       6.628    3 
+    720000      144000.00      23.444     -44.888     -21.444   3.95 0.214 0.667 0.419 0.726     212.696     290.000       6.807    3 
+    730000      146000.00      29.336     -31.883      -2.546   2.81 0.286 0.636 0.364 1.701     266.154     290.000       6.999    3 
+    740000      148000.00      29.019     -41.025     -12.006   4.03 0.429 0.571 0.315 2.309     263.271     290.000       6.834    3 
+    750000      150000.00      33.977     -25.613       8.363   3.40 0.214 0.700 0.186 1.665     308.255     290.000       7.661    3 
+    760000      152000.00      27.077     -34.371      -7.294   5.55 0.214 0.700 0.336 2.492     245.656     290.000       7.181    3 
+    770000      154000.00      27.070     -20.283       6.787   8.76 0.071 0.750 0.148 1.024     245.593     290.000      12.571    3 
+    780000      156000.00      26.477     -44.520     -18.043   4.15 0.286 0.667 0.220 0.866     240.215     290.000       7.371    3 
+    790000      158000.00      36.237     -43.293      -7.056   4.85 0.214 0.786 0.341 3.040     328.765     290.000       6.466    3 
+    800000      160000.00      28.974     -25.003       3.971   4.96 0.143 0.778 0.273 2.054     262.863     290.000       7.418    3 
+    810000      162000.00      25.383     -33.967      -8.584   3.51 0.143 0.667 0.189 1.228     230.290     310.000       7.452    3 
+    820000      164000.00      38.759     -11.719      27.040   5.91 0.071 0.875 0.364 3.797     351.644     310.000       7.279    3 
+    830000      166000.00      34.046     -27.246       6.801   6.33 0.071 0.833 0.235 1.440     308.885     310.000       7.578    3 
+    840000      168000.00      28.625     -21.890       6.736   4.26 0.357 0.545 0.298 1.853     259.704     310.000       7.456    3 
+    850000      170000.00      30.003     -27.350       2.652   5.10 0.143 0.750 0.335 1.248     272.199     310.000       8.201    3 
+    860000      172000.00      32.653     -21.943      10.709   5.14 0.214 0.700 0.295 4.065     296.241     310.000       7.276    3 
+    870000      174000.00      19.917     -22.037      -2.119   5.36 0.214 0.667 0.394 0.837     180.700     310.000       7.488    3 
+    880000      176000.00      33.944     -19.471      14.472   6.54 0.357 0.500 0.159 1.859     307.955     310.000      10.497    3 
+    890000      178000.00      30.146     -30.770      -0.624   6.00 0.214 0.727 0.231 1.903     273.500     310.000       7.366    3 
+    900000      180000.00      27.421     -23.554       3.867   4.96 0.143 0.750 0.341 1.302     248.774     310.000       7.355    3 
+    910000      182000.00      37.199     -34.505       2.695   5.27 0.286 0.500 0.284 1.893     337.490     300.000       7.698    3 
+    920000      184000.00      24.966     -36.468     -11.502   4.20 0.286 0.692 0.350 2.618     226.504     300.000       6.727    3 
+    930000      186000.00      34.569     -26.834       7.735   4.06 0.214 0.625 0.278 1.204     313.628     300.000       7.331    3 
+    940000      188000.00      34.485     -31.949       2.536   4.32 0.286 0.714 0.360 1.703     312.862     300.000       6.993    3 
+    950000      190000.00      19.612     -35.169     -15.557   4.23 0.429 0.625 0.352 1.372     177.932     300.000       6.454    3 
+    960000      192000.00      27.351     -35.328      -7.977   4.75 0.286 0.556 0.197 1.322     248.144     300.000       7.203    3 
+    970000      194000.00      27.882     -23.553       4.329   5.15 0.000 1.000 0.235 1.482     252.962     300.000       7.969    3 
+    980000      196000.00      26.336     -37.237     -10.901   3.85 0.143 0.800 0.400 1.357     238.932     300.000       6.988    3 
+    990000      198000.00      23.615     -41.191     -17.576   4.89 0.357 0.667 0.327 1.300     214.244     300.000       6.874    3 
+   1000000      200000.00      32.510      -6.167      26.343   4.37 0.214 0.500 0.265 2.390     294.947     300.000       7.332    3 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB004.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB004.stat
index 5ff42c8..a06e9f0 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB004.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB004.stat
@@ -1,101 +1,101 @@
          0           0.00      27.343      24.883      52.226  12.87 0.000   NaN   NaN 0.708     248.070     290.000      15.552    4 
-     10000        2000.00      28.096     -12.557      15.538   7.99 0.000 1.000 0.273 1.906     254.899     290.000      11.523    4 
-     20000        4000.00      26.104     -19.046       7.058   6.30 0.143 0.714 0.234 2.410     236.831     290.000       7.844    4 
-     30000        6000.00      33.220      -6.813      26.407   7.71 0.000 1.000 0.205 1.046     301.392     290.000       9.565    4 
-     40000        8000.00      29.185     -19.211       9.974   8.19 0.143 0.333 0.182 1.156     264.779     290.000      10.351    4 
-     50000       10000.00      25.550     -20.674       4.877   6.97 0.286 0.500 0.227 4.733     231.805     290.000       7.861    4 
-     60000       12000.00      21.827     -36.453     -14.626   6.50 0.214 0.700 0.223 1.462     198.029     290.000       7.022    4 
-     70000       14000.00      29.200     -27.244       1.956   4.39 0.286 0.692 0.259 1.532     264.921     290.000       7.313    4 
-     80000       16000.00      28.218     -22.350       5.868   3.99 0.214 0.625 0.233 1.948     256.006     290.000       8.174    4 
-     90000       18000.00      27.131     -31.857      -4.726   4.69 0.214 0.700 0.186 1.152     246.143     290.000       7.313    4 
-    100000       20000.00      29.715     -26.537       3.178   4.94 0.071 0.833 0.265 1.849     269.589     290.000       7.808    4 
-    110000       22000.00      28.301     -40.793     -12.492   5.53 0.214 0.700 0.264 2.056     256.765     280.000       7.298    4 
-    120000       24000.00      30.416     -25.026       5.390   7.75 0.214 0.500 0.167 1.916     275.946     280.000       9.592    4 
-    130000       26000.00      26.175     -43.816     -17.641   2.75 0.286 0.714 0.198 1.629     237.473     280.000       7.004    4 
-    140000       28000.00      23.134     -31.201      -8.067   7.39 0.143 0.600 0.173 1.065     209.886     280.000       9.999    4 
-    150000       30000.00      27.182     -45.011     -17.830   4.06 0.214 0.750 0.307 2.126     246.607     280.000       6.520    4 
-    160000       32000.00      20.159     -26.809      -6.650   6.80 0.214 0.571 0.169 0.944     182.895     280.000       9.599    4 
-    170000       34000.00      22.311     -35.580     -13.269   4.43 0.214 0.727 0.306 2.287     202.417     280.000       7.190    4 
-    180000       36000.00      32.917     -32.852       0.065   5.22 0.143 0.750 0.182 4.305     298.640     280.000       7.319    4 
-    190000       38000.00      31.136     -41.214     -10.078   6.70 0.286 0.692 0.252 1.620     282.479     280.000       7.144    4 
-    200000       40000.00      28.883     -28.095       0.788   6.38 0.071 0.667 0.152 1.970     262.042     280.000      10.969    4 
-    210000       42000.00      30.256     -21.988       8.268   5.53 0.071 0.750 0.216 2.510     274.496     320.000       8.211    4 
-    220000       44000.00      29.249     -14.893      14.356   4.98 0.071 0.667 0.364 3.348     265.364     320.000       8.713    4 
-    230000       46000.00      23.838     -16.676       7.162   6.01 0.214 0.571 0.208 1.448     216.274     320.000       8.490    4 
-    240000       48000.00      24.267     -20.741       3.526   5.76 0.214 0.667 0.273 2.615     220.160     320.000       7.099    4 
-    250000       50000.00      28.276     -17.156      11.120   4.87 0.071 0.875 0.460 1.480     256.532     320.000       7.685    4 
-    260000       52000.00      33.666     -22.991      10.676   4.47 0.214 0.727 0.339 1.438     305.437     320.000       7.116    4 
-    270000       54000.00      26.118     -18.318       7.800   3.86 0.143 0.667 0.318 3.163     236.956     320.000       8.501    4 
-    280000       56000.00      24.816     -17.755       7.061   4.86 0.143 0.333 0.227 3.112     225.140     320.000       9.217    4 
-    290000       58000.00      30.955     -31.157      -0.202   5.21 0.357 0.375 0.290 1.459     280.842     320.000       6.989    4 
-    300000       60000.00      37.642     -25.543      12.099   5.79 0.214 0.727 0.326 1.292     341.504     320.000       6.834    4 
-    310000       62000.00      26.951     -20.562       6.389   5.88 0.214 0.500 0.295 1.386     244.513     310.000       7.224    4 
-    320000       64000.00      33.363     -17.125      16.238   5.39 0.143 0.778 0.308 0.810     302.686     310.000       6.975    4 
-    330000       66000.00      33.304     -34.360      -1.057   5.22 0.286 0.636 0.277 1.323     302.151     310.000       7.201    4 
-    340000       68000.00      28.961     -27.689       1.272   6.28 0.214 0.727 0.281 4.069     262.747     310.000       7.050    4 
-    350000       70000.00      29.467     -28.100       1.367   6.07 0.286 0.556 0.369 2.329     267.341     310.000       6.902    4 
-    360000       72000.00      24.307     -27.770      -3.463   4.20 0.500 0.462 0.252 1.859     220.527     310.000       6.815    4 
-    370000       74000.00      33.738     -12.131      21.607   9.22 0.000 1.000 0.136 1.449     306.086     310.000      12.192    4 
-    380000       76000.00      32.112     -14.008      18.104   5.58 0.214 0.571 0.286 1.159     291.339     310.000       7.784    4 
-    390000       78000.00      29.158     -24.920       4.238   7.93 0.143 0.714 0.169 1.613     264.537     310.000      11.117    4 
-    400000       80000.00      33.618     -24.258       9.361   4.16 0.214 0.700 0.205 2.060     305.003     310.000       7.581    4 
-    410000       82000.00      28.372     -39.772     -11.400   2.92 0.429 0.455 0.314 1.377     257.408     300.000       7.054    4 
-    420000       84000.00      27.396     -19.290       8.106   6.14 0.286 0.333 0.152 0.786     248.550     300.000       9.412    4 
-    430000       86000.00      35.006     -35.494      -0.488   4.51 0.286 0.600 0.382 1.609     317.591     300.000       6.518    4 
-    440000       88000.00      33.246     -20.536      12.710   5.01 0.071 0.875 0.392 2.842     301.621     300.000       6.843    4 
-    450000       90000.00      27.863     -32.346      -4.483   4.48 0.143 0.714 0.344 2.281     252.786     300.000       7.574    4 
-    460000       92000.00      26.640     -32.414      -5.774   6.34 0.214 0.625 0.256 1.182     241.690     300.000       7.381    4 
-    470000       94000.00      29.822     -23.474       6.348   3.45 0.214 0.250 0.148 1.357     270.563     300.000       8.080    4 
-    480000       96000.00      28.221     -31.080      -2.858   4.07 0.286 0.692 0.381 1.793     256.040     300.000       6.783    4 
-    490000       98000.00      24.234     -28.299      -4.065   3.56 0.357 0.583 0.409 2.399     219.864     300.000       6.790    4 
-    500000      100000.00      29.018     -22.490       6.528   4.90 0.143 0.714 0.318 0.803     263.270     300.000       7.647    4 
-    510000      102000.00      30.171     -25.465       4.707   4.60 0.214 0.625 0.324 1.224     273.731     330.000       7.849    4 
-    520000      104000.00      30.775      -5.928      24.848   6.03 0.143 0.500 0.170 1.642     279.208     330.000       9.781    4 
-    530000      106000.00      30.214     -27.855       2.359   7.17 0.286 0.333 0.265 1.913     274.119     330.000       6.968    4 
-    540000      108000.00      30.384      -6.148      24.236   8.17 0.071 0.667 0.152 1.790     275.663     330.000      10.904    4 
-    550000      110000.00      29.131      -6.584      22.548   5.77 0.071 0.750 0.307 2.579     264.295     330.000       8.111    4 
-    560000      112000.00      32.569     -13.662      18.908   5.24 0.143 0.714 0.338 2.712     295.486     330.000       8.115    4 
-    570000      114000.00      34.218      -5.338      28.880   6.72 0.071 0.500 0.545 2.578     310.446     330.000       8.199    4 
-    580000      116000.00      34.630       4.548      39.178   6.33 0.000 1.000 0.348 0.237     314.180     330.000       8.552    4 
-    590000      118000.00      36.427      -5.166      31.260   9.17 0.214 0.400 0.155 1.109     330.481     330.000      11.657    4 
-    600000      120000.00      33.172      -5.373      27.799   5.81 0.071 0.750 0.216 1.718     300.951     330.000       8.906    4 
-    610000      122000.00      28.903     -10.124      18.779   4.70 0.000 1.000 0.250 2.793     262.222     320.000       7.712    4 
-    620000      124000.00      35.983      -3.779      32.204   9.48 0.000 1.000 0.159 2.286     326.456     320.000      12.729    4 
-    630000      126000.00      31.801     -32.285      -0.484   4.45 0.286 0.692 0.430 1.018     288.517     320.000       6.767    4 
-    640000      128000.00      31.048     -17.607      13.440   5.84 0.071 0.750 0.170 1.460     281.679     320.000       8.794    4 
-    650000      130000.00      36.821     -11.093      25.728   6.83 0.071 0.750 0.170 1.282     334.058     320.000       9.173    4 
-    660000      132000.00      28.968      -4.138      24.830   4.33 0.071 0.800 0.309 2.315     262.811     320.000       8.134    4 
-    670000      134000.00      33.533     -17.572      15.961   7.35 0.214 0.667 0.217 1.987     304.228     320.000       7.963    4 
-    680000      136000.00      32.348     -24.303       8.045   5.31 0.429 0.333 0.253 2.040     293.477     320.000       7.260    4 
-    690000      138000.00      29.406     -18.945      10.461   9.94 0.214 0.500 0.159 1.075     266.784     320.000      12.863    4 
-    700000      140000.00      30.093     -21.508       8.585   4.21 0.214 0.667 0.222 2.125     273.022     320.000       7.648    4 
-    710000      142000.00      30.819     -23.735       7.084   5.01 0.143 0.667 0.318 0.957     279.602     310.000       8.031    4 
-    720000      144000.00      28.140     -24.181       3.959   4.69 0.357 0.615 0.290 2.187     255.303     310.000       7.699    4 
-    730000      146000.00      37.357     -37.401      -0.045   5.37 0.143 0.778 0.283 2.013     338.918     310.000       7.544    4 
-    740000      148000.00      21.934     -35.567     -13.633   4.63 0.357 0.500 0.182 1.481     198.996     310.000       8.267    4 
-    750000      150000.00      29.820     -24.123       5.696   4.05 0.143 0.750 0.188 2.696     270.540     310.000       7.954    4 
-    760000      152000.00      37.724     -21.409      16.314   5.09 0.286 0.600 0.291 1.717     342.250     310.000       7.275    4 
-    770000      154000.00      34.334     -20.462      13.872   5.99 0.143 0.800 0.286 1.589     311.494     310.000       7.479    4 
-    780000      156000.00      28.913     -24.933       3.980   3.43 0.286 0.556 0.449 1.019     262.314     310.000       7.535    4 
-    790000      158000.00      34.266     -28.050       6.216   2.69 0.357 0.583 0.322 1.090     310.878     310.000       7.340    4 
-    800000      160000.00      31.602     -22.504       9.098   3.33 0.357 0.643 0.451 1.982     286.712     310.000       7.201    4 
-    810000      162000.00      34.356     -25.692       8.664   4.98 0.214 0.500 0.303 1.187     311.696     300.000       7.326    4 
-    820000      164000.00      28.028     -29.931      -1.903   4.50 0.071 0.857 0.221 1.395     254.287     300.000       7.562    4 
-    830000      166000.00      29.436     -24.094       5.342   4.67 0.071 0.857 0.435 0.971     267.060     300.000       8.144    4 
-    840000      168000.00      30.543     -36.785      -6.242   4.52 0.214 0.800 0.361 1.987     277.104     300.000       6.846    4 
-    850000      170000.00      23.084     -28.768      -5.684   4.13 0.357 0.615 0.367 2.027     209.429     300.000       7.108    4 
-    860000      172000.00      32.136     -18.272      13.863   4.24 0.071 0.800 0.155 1.462     291.552     300.000       8.420    4 
-    870000      174000.00      33.336     -19.773      13.563   4.19 0.143 0.818 0.289 1.628     302.443     300.000       6.972    4 
-    880000      176000.00      30.409     -30.874      -0.466   2.82 0.286 0.556 0.394 1.596     275.884     300.000       7.543    4 
-    890000      178000.00      30.379     -20.802       9.577   3.94 0.214 0.700 0.409 1.776     275.618     300.000       7.354    4 
-    900000      180000.00      28.985     -15.561      13.423   6.79 0.143 0.714 0.292 2.444     262.965     300.000       8.172    4 
-    910000      182000.00      30.095     -36.075      -5.980   6.58 0.143 0.750 0.199 0.778     273.038     290.000       7.340    4 
-    920000      184000.00      21.093     -39.029     -17.936   4.57 0.143 0.800 0.164 1.552     191.369     290.000       8.247    4 
-    930000      186000.00      25.355     -35.572     -10.217   5.52 0.214 0.571 0.195 1.189     230.035     290.000       8.329    4 
-    940000      188000.00      27.318     -26.550       0.768   4.72 0.071 0.750 0.159 3.034     247.842     290.000       7.872    4 
-    950000      190000.00      30.212     -22.770       7.442   5.83 0.286 0.600 0.191 1.900     274.097     290.000       7.683    4 
-    960000      192000.00      26.064     -33.768      -7.703   2.04 0.286 0.692 0.273 1.066     236.470     290.000       7.061    4 
-    970000      194000.00      26.500     -42.437     -15.937   3.18 0.214 0.769 0.378 1.855     240.419     290.000       6.551    4 
-    980000      196000.00      33.274     -28.466       4.809   3.57 0.143 0.833 0.314 1.221     301.883     290.000       6.799    4 
-    990000      198000.00      34.935     -37.970      -3.035   4.31 0.286 0.714 0.266 1.124     316.951     290.000       6.734    4 
-   1000000      200000.00      32.589     -22.569      10.020   3.40 0.214 0.500 0.159 3.767     295.665     290.000       7.275    4 
+     10000        2000.00      28.051     -11.666      16.385   4.82 0.143 0.500 0.352 2.085     254.494     290.000       8.670    4 
+     20000        4000.00      26.253     -28.729      -2.476   2.61 0.500 0.417 0.402 2.052     238.179     290.000       6.986    4 
+     30000        6000.00      31.135     -33.983      -2.848   3.61 0.143 0.750 0.176 3.068     282.475     290.000       8.178    4 
+     40000        8000.00      31.291     -24.360       6.931   4.46 0.143 0.778 0.197 2.212     283.885     290.000       8.332    4 
+     50000       10000.00      34.888     -24.694      10.194   3.39 0.143 0.800 0.259 2.873     316.520     290.000       7.388    4 
+     60000       12000.00      24.688     -36.579     -11.891   1.83 0.143 0.714 0.266 1.287     223.984     290.000       6.988    4 
+     70000       14000.00      30.952     -24.791       6.161   8.66 0.286 0.429 0.162 1.902     280.809     290.000      11.557    4 
+     80000       16000.00      25.573     -20.576       4.998   5.16 0.286 0.500 0.176 3.159     232.013     290.000       8.719    4 
+     90000       18000.00      25.718     -17.741       7.977   5.33 0.286 0.333 0.189 1.190     233.329     290.000       9.170    4 
+    100000       20000.00      27.593     -29.741      -2.148   4.35 0.143 0.833 0.432 2.705     250.342     290.000       6.660    4 
+    110000       22000.00      31.031     -42.529     -11.497   3.69 0.286 0.692 0.325 3.230     281.533     280.000       7.129    4 
+    120000       24000.00      31.307     -39.876      -8.569   3.22 0.214 0.625 0.170 1.173     284.034     280.000       7.882    4 
+    130000       26000.00      28.006     -43.920     -15.914   2.28 0.286 0.556 0.303 1.655     254.082     280.000       6.901    4 
+    140000       28000.00      25.601     -37.537     -11.936   2.33 0.571 0.385 0.276 1.456     232.265     280.000       6.541    4 
+    150000       30000.00      28.467     -30.359      -1.892   2.89 0.286 0.600 0.218 1.299     258.265     280.000       7.054    4 
+    160000       32000.00      21.753     -36.102     -14.349   2.21 0.357 0.615 0.227 1.471     197.357     280.000       7.215    4 
+    170000       34000.00      20.766     -43.531     -22.765   5.11 0.286 0.733 0.282 3.595     188.399     280.000       6.989    4 
+    180000       36000.00      34.769     -26.671       8.098   4.53 0.143 0.778 0.268 1.163     315.441     280.000       7.303    4 
+    190000       38000.00      26.476     -38.778     -12.302   5.48 0.429 0.647 0.286 2.440     240.202     280.000       6.768    4 
+    200000       40000.00      27.595     -30.892      -3.297   5.91 0.286 0.714 0.273 1.084     250.358     280.000       6.882    4 
+    210000       42000.00      23.998     -38.691     -14.693   5.71 0.286 0.636 0.223 2.509     217.726     270.000       6.762    4 
+    220000       44000.00      26.691     -45.171     -18.479   5.16 0.357 0.583 0.223 2.549     242.158     270.000       6.669    4 
+    230000       46000.00      20.630     -43.448     -22.818   5.42 0.357 0.583 0.254 1.708     187.163     270.000       7.125    4 
+    240000       48000.00      21.145     -41.366     -20.221   4.87 0.286 0.636 0.269 1.553     191.839     270.000       6.481    4 
+    250000       50000.00      19.969     -45.040     -25.071   4.18 0.214 0.667 0.328 1.704     181.169     270.000       7.438    4 
+    260000       52000.00      31.003     -55.572     -24.568   5.36 0.214 0.700 0.314 1.722     281.278     270.000       6.955    4 
+    270000       54000.00      23.635     -41.876     -18.241   4.29 0.286 0.692 0.259 2.207     214.432     270.000       6.662    4 
+    280000       56000.00      23.130     -37.929     -14.799   6.44 0.143 0.714 0.214 1.206     209.846     270.000       7.661    4 
+    290000       58000.00      26.161     -45.820     -19.659   6.15 0.143 0.778 0.202 1.239     237.343     270.000       7.514    4 
+    300000       60000.00      33.446     -38.749      -5.303   5.26 0.214 0.750 0.273 1.117     303.441     270.000       6.640    4 
+    310000       62000.00      23.149     -42.178     -19.028   5.10 0.357 0.667 0.327 1.779     210.024     280.000       6.708    4 
+    320000       64000.00      31.543     -51.027     -19.485   4.83 0.286 0.636 0.236 1.523     286.170     280.000       7.280    4 
+    330000       66000.00      27.949     -36.245      -8.295   4.98 0.214 0.667 0.338 1.643     253.572     280.000       7.356    4 
+    340000       68000.00      26.737     -27.202      -0.464   4.96 0.214 0.786 0.315 3.077     242.575     280.000       7.097    4 
+    350000       70000.00      30.625     -34.571      -3.946   4.77 0.214 0.786 0.315 1.144     277.846     280.000       6.932    4 
+    360000       72000.00      19.868     -37.301     -17.433   4.29 0.286 0.800 0.316 1.417     180.257     280.000       6.132    4 
+    370000       74000.00      29.772     -35.440      -5.668   5.21 0.286 0.733 0.218 1.805     270.106     280.000       7.822    4 
+    380000       76000.00      29.307     -39.570     -10.263   3.85 0.357 0.583 0.208 1.869     265.889     280.000       7.555    4 
+    390000       78000.00      26.887     -35.120      -8.232   3.20 0.286 0.500 0.506 2.065     243.936     280.000       7.248    4 
+    400000       80000.00      29.332     -34.596      -5.264   3.02 0.286 0.636 0.306 1.778     266.116     280.000       7.145    4 
+    410000       82000.00      26.859     -35.327      -8.468   5.67 0.286 0.667 0.208 1.631     243.679     280.000       7.757    4 
+    420000       84000.00      27.814     -41.968     -14.154   4.87 0.143 0.778 0.308 1.021     252.343     280.000       7.015    4 
+    430000       86000.00      29.751     -29.505       0.246   4.38 0.214 0.667 0.323 2.138     269.918     280.000       7.718    4 
+    440000       88000.00      24.485     -36.669     -12.184   4.10 0.429 0.571 0.403 1.678     222.137     280.000       7.398    4 
+    450000       90000.00      28.145     -30.486      -2.342   4.48 0.000 1.000 0.152 1.594     255.342     280.000       8.513    4 
+    460000       92000.00      25.704     -46.913     -21.209   7.33 0.214 0.667 0.212 1.164     233.202     280.000       7.746    4 
+    470000       94000.00      25.835     -39.596     -13.760   2.38 0.357 0.583 0.246 3.214     234.392     280.000       6.840    4 
+    480000       96000.00      32.814     -23.542       9.272   5.72 0.071 0.833 0.303 2.468     297.706     280.000       7.452    4 
+    490000       98000.00      31.003     -34.786      -3.783   5.22 0.286 0.636 0.355 2.112     281.278     280.000       6.803    4 
+    500000      100000.00      22.272     -44.501     -22.229   5.35 0.214 0.727 0.326 1.249     202.066     280.000       6.742    4 
+    510000      102000.00      22.922     -45.013     -22.092   4.07 0.429 0.538 0.283 2.120     207.956     270.000       6.960    4 
+    520000      104000.00      25.310     -43.114     -17.804   5.50 0.429 0.538 0.227 1.051     229.628     270.000       6.929    4 
+    530000      106000.00      23.018     -42.976     -19.958   4.64 0.286 0.667 0.284 1.632     208.830     270.000       6.911    4 
+    540000      108000.00      25.958     -47.221     -21.264   5.14 0.214 0.727 0.293 1.901     235.501     270.000       6.817    4 
+    550000      110000.00      27.681     -35.551      -7.870   5.58 0.071 0.909 0.306 2.170     251.135     270.000       6.958    4 
+    560000      112000.00      24.718     -43.587     -18.869   4.97 0.214 0.625 0.233 2.909     224.252     270.000       7.508    4 
+    570000      114000.00      28.737     -35.034      -6.298   6.44 0.214 0.727 0.281 1.682     260.714     270.000       6.308    4 
+    580000      116000.00      26.801     -39.714     -12.914   5.15 0.214 0.727 0.236 1.612     243.150     270.000       7.221    4 
+    590000      118000.00      24.813     -46.756     -21.943   5.31 0.214 0.571 0.305 1.504     225.114     270.000       6.994    4 
+    600000      120000.00      21.906     -47.790     -25.884   5.11 0.286 0.714 0.331 1.803     198.744     270.000       6.503    4 
+    610000      122000.00      25.709     -43.198     -17.489   6.70 0.286 0.636 0.215 1.265     233.241     260.000       7.529    4 
+    620000      124000.00      27.838     -44.907     -17.070   5.58 0.214 0.727 0.207 1.212     252.558     260.000       7.517    4 
+    630000      126000.00      27.657     -53.856     -26.199   4.69 0.357 0.615 0.395 1.314     250.917     260.000       6.592    4 
+    640000      128000.00      24.981     -57.141     -32.161   5.76 0.214 0.800 0.315 1.091     226.639     260.000       6.595    4 
+    650000      130000.00      31.722     -50.246     -18.524   5.56 0.214 0.800 0.318 2.361     287.801     260.000       6.641    4 
+    660000      132000.00      27.970     -47.993     -20.023   4.82 0.214 0.667 0.263 1.766     253.758     260.000       7.334    4 
+    670000      134000.00      23.182     -44.768     -21.587   4.89 0.143 0.818 0.339 2.065     210.315     260.000       6.799    4 
+    680000      136000.00      24.658     -53.121     -28.463   6.46 0.143 0.833 0.288 1.127     223.711     260.000       7.219    4 
+    690000      138000.00      21.626     -51.153     -29.528   5.76 0.214 0.812 0.330 1.812     196.199     260.000       6.690    4 
+    700000      140000.00      23.628     -55.096     -31.467   6.15 0.286 0.667 0.273 1.569     214.369     260.000       6.596    4 
+    710000      142000.00      26.122     -46.885     -20.763   5.86 0.214 0.800 0.282 2.175     236.994     260.000       6.919    4 
+    720000      144000.00      23.605     -51.617     -28.012   4.84 0.429 0.500 0.186 1.501     214.154     260.000       7.300    4 
+    730000      146000.00      26.452     -48.280     -21.828   6.17 0.286 0.600 0.286 1.297     239.982     260.000       6.788    4 
+    740000      148000.00      16.268     -49.117     -32.849   4.68 0.357 0.583 0.239 1.464     147.587     260.000       7.016    4 
+    750000      150000.00      24.358     -46.077     -21.719   6.34 0.286 0.600 0.282 1.195     220.989     260.000       6.948    4 
+    760000      152000.00      37.142     -41.902      -4.760   5.50 0.286 0.667 0.379 1.835     336.969     260.000       6.740    4 
+    770000      154000.00      29.815     -46.729     -16.914   5.37 0.429 0.600 0.248 1.999     270.498     260.000       7.223    4 
+    780000      156000.00      23.947     -42.269     -18.323   4.04 0.286 0.667 0.322 1.513     217.257     260.000       6.876    4 
+    790000      158000.00      29.309     -52.463     -23.154   7.00 0.214 0.750 0.265 2.825     265.910     260.000       7.130    4 
+    800000      160000.00      26.623     -46.696     -20.074   2.79 0.286 0.600 0.336 1.340     241.535     260.000       6.880    4 
+    810000      162000.00      25.084     -47.362     -22.278   3.08 0.357 0.706 0.289 0.874     227.576     260.000       6.364    4 
+    820000      164000.00      22.819     -38.717     -15.898   3.27 0.429 0.684 0.347 3.000     207.025     260.000       6.523    4 
+    830000      166000.00      26.166     -52.920     -26.753   3.03 0.571 0.529 0.313 1.397     237.396     260.000       6.549    4 
+    840000      168000.00      25.526     -48.093     -22.567   1.87 0.643 0.308 0.241 1.110     231.584     260.000       6.792    4 
+    850000      170000.00      20.515     -56.224     -35.708   2.68 0.429 0.625 0.318 1.814     186.127     260.000       6.660    4 
+    860000      172000.00      28.769     -48.698     -19.929   3.19 0.214 0.800 0.300 3.381     261.005     260.000       6.698    4 
+    870000      174000.00      29.976     -46.305     -16.330   2.98 0.500 0.632 0.316 1.969     271.956     260.000       7.094    4 
+    880000      176000.00      27.571     -53.031     -25.460   2.65 0.286 0.714 0.214 1.585     250.140     260.000       6.964    4 
+    890000      178000.00      28.920     -55.947     -27.027   3.26 0.286 0.692 0.248 0.799     262.375     260.000       7.144    4 
+    900000      180000.00      28.005     -59.705     -31.700   2.62 0.429 0.667 0.283 1.543     254.075     260.000       6.878    4 
+    910000      182000.00      24.598     -42.764     -18.167   2.63 0.429 0.625 0.261 1.671     223.162     260.000       7.002    4 
+    920000      184000.00      19.422     -58.367     -38.945   2.90 0.357 0.643 0.331 1.420     176.210     260.000       6.666    4 
+    930000      186000.00      20.788     -53.617     -32.829   3.12 0.500 0.588 0.305 0.699     188.596     260.000       7.078    4 
+    940000      188000.00      23.205     -41.714     -18.509   3.70 0.286 0.714 0.289 3.139     210.528     260.000       7.516    4 
+    950000      190000.00      27.513     -37.393      -9.880   3.25 0.286 0.556 0.273 1.422     249.608     260.000       7.431    4 
+    960000      192000.00      21.849     -54.237     -32.388   3.01 0.429 0.625 0.327 2.241     198.222     260.000       6.763    4 
+    970000      194000.00      26.687     -52.288     -25.601   3.05 0.071 0.933 0.276 2.285     242.121     260.000       6.982    4 
+    980000      196000.00      23.695     -37.884     -14.190   3.04 0.357 0.688 0.261 2.080     214.972     260.000       6.852    4 
+    990000      198000.00      29.411     -47.562     -18.152   3.38 0.286 0.636 0.231 1.732     266.828     260.000       7.260    4 
+   1000000      200000.00      28.343     -38.910     -10.567   2.72 0.286 0.750 0.304 2.236     257.144     260.000       6.705    4 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB005.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB005.stat
index b59223c..ddeb485 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB005.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB005.stat
@@ -1,101 +1,101 @@
          0           0.00      34.855      24.828      59.683  12.87 0.000   NaN   NaN 0.708     316.222     300.000      15.552    5 
-     10000        2000.00      24.464     -16.840       7.624   6.85 0.214 0.000 0.136 1.400     221.954     300.000       9.119    5 
-     20000        4000.00      27.935     -24.185       3.750   6.22 0.357 0.444 0.253 2.892     253.441     300.000       7.413    5 
-     30000        6000.00      29.504     -33.722      -4.218   5.46 0.357 0.583 0.337 0.852     267.674     300.000       6.842    5 
-     40000        8000.00      25.101     -24.266       0.835   4.74 0.357 0.583 0.379 2.211     227.730     300.000       7.039    5 
-     50000       10000.00      28.606     -26.952       1.654   4.27 0.143 0.778 0.247 1.015     259.529     300.000       7.201    5 
-     60000       12000.00      24.945     -11.386      13.559   4.48 0.143 0.750 0.392 3.088     226.316     300.000       8.022    5 
-     70000       14000.00      22.586     -36.678     -14.091   4.45 0.214 0.769 0.360 1.068     204.915     300.000       7.279    5 
-     80000       16000.00      29.876     -44.125     -14.249   4.19 0.286 0.636 0.322 0.515     271.051     300.000       7.455    5 
-     90000       18000.00      25.573     -28.402      -2.829   5.00 0.214 0.625 0.335 1.952     232.014     300.000       7.045    5 
-    100000       20000.00      24.590     -37.683     -13.093   4.38 0.357 0.615 0.322 1.639     223.096     300.000       6.847    5 
-    110000       22000.00      32.737     -33.396      -0.659   5.43 0.214 0.750 0.367 2.001     297.010     290.000       6.940    5 
-    120000       24000.00      34.756     -40.016      -5.260   4.13 0.286 0.714 0.386 1.516     315.324     290.000       6.718    5 
-    130000       26000.00      28.904     -18.603      10.301   4.66 0.214 0.500 0.182 1.677     262.235     290.000       7.535    5 
-    140000       28000.00      33.340     -34.402      -1.061   4.24 0.143 0.833 0.326 1.194     302.482     290.000       7.212    5 
-    150000       30000.00      30.715     -30.351       0.364   5.45 0.286 0.714 0.302 1.941     278.665     290.000       6.692    5 
-    160000       32000.00      29.629     -26.645       2.984   4.58 0.214 0.625 0.256 1.787     268.811     290.000       7.056    5 
-    170000       34000.00      27.830     -41.840     -14.009   4.49 0.214 0.800 0.309 3.125     252.489     290.000       6.923    5 
-    180000       36000.00      32.670     -40.813      -8.144   3.08 0.429 0.500 0.265 1.561     296.395     290.000       7.273    5 
-    190000       38000.00      26.491     -37.315     -10.824   4.62 0.143 0.818 0.355 1.164     240.339     290.000       7.135    5 
-    200000       40000.00      32.161     -28.768       3.393   4.96 0.286 0.429 0.208 1.683     291.784     290.000       8.571    5 
-    210000       42000.00      25.884     -39.201     -13.317   6.74 0.143 0.600 0.155 1.814     234.831     280.000      10.256    5 
-    220000       44000.00      29.533     -40.571     -11.038   4.95 0.214 0.700 0.359 1.008     267.935     280.000       6.963    5 
-    230000       46000.00      31.293     -39.765      -8.472   5.00 0.357 0.583 0.265 1.171     283.905     280.000       7.285    5 
-    240000       48000.00      29.284     -35.310      -6.026   4.74 0.214 0.667 0.369 1.947     265.683     280.000       7.426    5 
-    250000       50000.00      25.514     -34.977      -9.463   5.76 0.214 0.769 0.294 1.807     231.476     280.000       6.775    5 
-    260000       52000.00      28.472     -39.570     -11.098   4.99 0.143 0.800 0.323 1.239     258.313     280.000       6.835    5 
-    270000       54000.00      35.120     -41.302      -6.182   6.08 0.214 0.769 0.332 1.883     318.629     280.000       6.678    5 
-    280000       56000.00      22.792     -45.093     -22.301   4.85 0.357 0.500 0.273 2.871     206.781     280.000       7.251    5 
-    290000       58000.00      26.435     -43.698     -17.264   4.88 0.214 0.667 0.242 1.594     239.831     280.000       7.297    5 
-    300000       60000.00      28.763     -43.896     -15.133   3.88 0.286 0.733 0.282 1.860     260.949     280.000       6.940    5 
-    310000       62000.00      26.790     -41.704     -14.914   3.61 0.214 0.786 0.260 1.361     243.054     280.000       6.876    5 
-    320000       64000.00      23.735     -39.089     -15.354   5.66 0.429 0.625 0.318 1.562     215.338     280.000       7.115    5 
-    330000       66000.00      33.221     -28.795       4.425   4.44 0.286 0.600 0.264 2.991     301.394     280.000       7.506    5 
-    340000       68000.00      25.406     -43.813     -18.407   5.53 0.143 0.778 0.232 1.788     230.496     280.000       6.785    5 
-    350000       70000.00      26.254     -42.279     -16.025   5.32 0.286 0.692 0.262 1.579     238.189     280.000       6.647    5 
-    360000       72000.00      26.540     -43.166     -16.626   4.27 0.286 0.636 0.343 2.535     240.788     280.000       6.674    5 
-    370000       74000.00      31.267     -39.143      -7.876   6.09 0.286 0.600 0.305 1.284     283.668     280.000       7.153    5 
-    380000       76000.00      24.520     -37.595     -13.075   5.48 0.214 0.769 0.269 1.444     222.457     280.000       6.874    5 
-    390000       78000.00      27.792     -44.074     -16.282   5.47 0.357 0.545 0.231 1.885     252.140     280.000       7.282    5 
-    400000       80000.00      27.617     -36.273      -8.656   6.00 0.071 0.833 0.212 2.026     250.558     280.000       7.832    5 
-    410000       82000.00      25.737     -34.165      -8.428   5.21 0.286 0.636 0.231 1.840     233.503     280.000       7.092    5 
-    420000       84000.00      25.729     -47.201     -21.472   5.72 0.357 0.615 0.269 1.378     233.431     280.000       7.107    5 
-    430000       86000.00      20.067     -43.181     -23.113   4.31 0.143 0.750 0.256 1.646     182.062     280.000       7.044    5 
-    440000       88000.00      29.667     -33.311      -3.644   4.66 0.286 0.636 0.256 1.598     269.155     280.000       7.224    5 
-    450000       90000.00      24.183     -49.469     -25.286   4.90 0.286 0.714 0.347 1.817     219.404     280.000       6.855    5 
-    460000       92000.00      25.604     -37.066     -11.462   4.54 0.357 0.500 0.282 2.064     232.293     280.000       7.101    5 
-    470000       94000.00      23.412     -43.962     -20.550   6.28 0.357 0.706 0.241 0.746     212.406     280.000       6.602    5 
-    480000       96000.00      23.763     -36.144     -12.380   5.00 0.071 0.917 0.333 1.252     215.593     280.000       6.808    5 
-    490000       98000.00      24.396     -42.381     -17.984   5.96 0.214 0.786 0.286 2.765     221.337     280.000       6.563    5 
-    500000      100000.00      27.239     -31.371      -4.132   5.29 0.143 0.800 0.259 2.521     247.128     280.000       6.974    5 
-    510000      102000.00      28.749     -33.472      -4.723   5.83 0.143 0.750 0.284 1.114     260.829     290.000       6.907    5 
-    520000      104000.00      25.622     -31.229      -5.607   5.09 0.286 0.600 0.286 0.909     232.455     290.000       6.924    5 
-    530000      106000.00      29.560     -38.296      -8.736   8.41 0.357 0.500 0.182 0.945     268.181     290.000      11.504    5 
-    540000      108000.00      23.786     -29.585      -5.799   6.58 0.143 0.667 0.220 1.538     215.802     290.000       8.132    5 
-    550000      110000.00      22.808     -24.490      -1.683   6.60 0.357 0.500 0.205 2.455     206.923     290.000       9.309    5 
-    560000      112000.00      32.909     -49.609     -16.700   3.06 0.429 0.600 0.300 1.655     298.567     290.000       6.607    5 
-    570000      114000.00      30.540     -43.772     -13.232   6.34 0.214 0.769 0.224 1.497     277.072     290.000       7.376    5 
-    580000      116000.00      32.054     -17.623      14.432   4.23 0.143 0.667 0.356 1.154     290.815     290.000       8.207    5 
-    590000      118000.00      31.860     -23.485       8.376   6.03 0.143 0.600 0.173 2.822     289.054     290.000       9.473    5 
-    600000      120000.00      24.095     -26.185      -2.089   6.64 0.071 0.857 0.208 1.338     218.606     290.000       8.376    5 
-    610000      122000.00      29.908     -31.581      -1.672   5.78 0.071 0.857 0.234 1.020     271.343     290.000       7.291    5 
-    620000      124000.00      33.571     -41.102      -7.532   6.40 0.286 0.733 0.285 1.598     304.573     290.000       6.724    5 
-    630000      126000.00      36.111     -29.745       6.366   4.98 0.286 0.692 0.329 1.612     327.617     290.000       6.721    5 
-    640000      128000.00      29.452     -35.888      -6.436   5.78 0.214 0.667 0.227 1.523     267.204     290.000       7.773    5 
-    650000      130000.00      27.157     -33.595      -6.438   4.16 0.286 0.600 0.245 2.733     246.380     290.000       7.340    5 
-    660000      132000.00      19.712     -31.867     -12.155   4.48 0.214 0.571 0.182 0.519     178.837     290.000       7.524    5 
-    670000      134000.00      24.435     -36.124     -11.689   5.67 0.286 0.750 0.358 1.109     221.688     290.000       6.868    5 
-    680000      136000.00      31.473     -34.088      -2.615   4.85 0.214 0.667 0.288 1.150     285.543     290.000       7.170    5 
-    690000      138000.00      26.111     -31.909      -5.798   5.23 0.000 1.000 0.182 1.761     236.890     290.000       7.313    5 
-    700000      140000.00      26.835     -27.629      -0.793   4.43 0.143 0.750 0.222 0.969     243.464     290.000       7.745    5 
-    710000      142000.00      31.103     -26.827       4.275   5.34 0.286 0.429 0.208 1.768     282.180     280.000       8.378    5 
-    720000      144000.00      29.866     -45.797     -15.932   4.70 0.286 0.600 0.236 1.835     270.959     280.000       7.093    5 
-    730000      146000.00      20.453     -34.211     -13.758   5.32 0.071 0.900 0.305 1.634     185.558     280.000       6.908    5 
-    740000      148000.00      26.070     -41.435     -15.365   4.69 0.214 0.786 0.364 1.621     236.520     280.000       6.569    5 
-    750000      150000.00      25.409     -43.834     -18.425   5.79 0.143 0.867 0.345 1.529     230.524     280.000       6.865    5 
-    760000      152000.00      26.724     -31.402      -4.677   3.88 0.214 0.750 0.292 1.312     242.455     280.000       7.704    5 
-    770000      154000.00      24.832     -32.900      -8.068   4.76 0.071 0.909 0.298 1.678     225.286     280.000       6.588    5 
-    780000      156000.00      27.307     -40.714     -13.407   4.78 0.214 0.769 0.308 1.373     247.740     280.000       6.686    5 
-    790000      158000.00      24.269     -26.318      -2.049   5.92 0.357 0.615 0.248 2.351     220.179     280.000       6.607    5 
-    800000      160000.00      30.403     -34.343      -3.940   4.39 0.214 0.727 0.215 3.053     275.832     280.000       7.004    5 
-    810000      162000.00      27.187     -38.898     -11.710   4.89 0.357 0.643 0.354 2.041     246.659     280.000       6.908    5 
-    820000      164000.00      28.241     -36.122      -7.881   5.99 0.143 0.750 0.364 1.341     256.218     280.000       6.754    5 
-    830000      166000.00      23.190     -30.657      -7.467   5.12 0.357 0.615 0.329 1.342     210.396     280.000       6.773    5 
-    840000      168000.00      19.737     -25.084      -5.347   5.38 0.143 0.667 0.174 1.459     179.065     280.000       7.605    5 
-    850000      170000.00      26.500     -47.888     -21.388   5.05 0.357 0.643 0.351 1.676     240.422     280.000       6.669    5 
-    860000      172000.00      30.490     -38.300      -7.810   4.74 0.214 0.625 0.256 1.016     276.622     280.000       7.105    5 
-    870000      174000.00      26.416     -39.648     -13.233   3.97 0.429 0.500 0.314 1.848     239.656     280.000       6.988    5 
-    880000      176000.00      25.563     -43.291     -17.728   6.49 0.357 0.545 0.244 0.904     231.922     280.000       6.934    5 
-    890000      178000.00      24.367     -38.773     -14.405   4.58 0.286 0.692 0.311 1.722     221.073     280.000       6.949    5 
-    900000      180000.00      27.770     -42.283     -14.513   4.17 0.286 0.556 0.217 1.108     251.945     280.000       7.783    5 
-    910000      182000.00      30.208     -23.360       6.848   4.39 0.214 0.625 0.335 2.987     274.061     280.000       7.195    5 
-    920000      184000.00      31.072     -43.581     -12.509   5.17 0.357 0.500 0.405 0.856     281.900     280.000       7.128    5 
-    930000      186000.00      21.900     -39.353     -17.453   5.71 0.357 0.667 0.282 1.153     198.688     280.000       6.814    5 
-    940000      188000.00      34.099     -43.277      -9.178   4.25 0.143 0.846 0.367 1.256     309.367     280.000       7.053    5 
-    950000      190000.00      25.398     -35.413     -10.015   4.70 0.286 0.765 0.361 1.057     230.426     280.000       6.699    5 
-    960000      192000.00      25.603     -31.176      -5.573   4.84 0.214 0.700 0.305 1.094     232.282     280.000       6.913    5 
-    970000      194000.00      28.311     -41.086     -12.775   5.65 0.214 0.727 0.252 1.965     256.852     280.000       7.145    5 
-    980000      196000.00      20.868     -30.030      -9.161   4.71 0.286 0.667 0.277 2.037     189.329     280.000       7.130    5 
-    990000      198000.00      30.284     -44.287     -14.002   3.47 0.357 0.545 0.215 2.040     274.756     280.000       7.495    5 
-   1000000      200000.00      25.153     -55.906     -30.752   3.47 0.286 0.692 0.175 1.128     228.204     280.000       7.170    5 
+     10000        2000.00      26.801     -36.322      -9.520   4.88 0.143 0.778 0.389 1.709     243.156     300.000       7.192    5 
+     20000        4000.00      30.525     -12.540      17.985   4.05 0.143 0.500 0.182 1.088     276.938     300.000       8.506    5 
+     30000        6000.00      36.954     -38.104      -1.150   4.62 0.357 0.688 0.420 2.390     335.263     300.000       6.830    5 
+     40000        8000.00      26.030     -19.388       6.642   3.29 0.286 0.500 0.341 1.609     236.156     300.000       7.449    5 
+     50000       10000.00      28.191     -23.609       4.582   4.77 0.286 0.500 0.261 1.917     255.766     300.000       7.375    5 
+     60000       12000.00      31.691     -35.532      -3.841   4.35 0.143 0.778 0.318 1.375     287.518     300.000       7.206    5 
+     70000       14000.00      23.939     -29.827      -5.888   3.47 0.429 0.500 0.265 1.439     217.183     300.000       7.342    5 
+     80000       16000.00      25.870     -19.763       6.107   4.88 0.071 0.833 0.235 2.493     234.710     300.000       8.148    5 
+     90000       18000.00      24.316     -35.943     -11.627   2.42 0.357 0.615 0.248 2.972     220.607     300.000       7.252    5 
+    100000       20000.00      23.703     -22.113       1.590   5.02 0.143 0.750 0.250 1.518     215.045     300.000       8.151    5 
+    110000       22000.00      28.121     -25.795       2.325   3.03 0.286 0.429 0.247 2.583     255.124     290.000       7.641    5 
+    120000       24000.00      34.430     -33.422       1.008   4.06 0.143 0.800 0.400 3.133     312.367     290.000       7.197    5 
+    130000       26000.00      33.741     -39.062      -5.321   4.82 0.214 0.727 0.281 1.580     306.114     290.000       6.998    5 
+    140000       28000.00      29.264     -34.306      -5.041   3.97 0.286 0.556 0.182 0.929     265.501     290.000       7.977    5 
+    150000       30000.00      32.319     -40.209      -7.890   5.35 0.143 0.778 0.227 1.094     293.212     290.000       6.894    5 
+    160000       32000.00      31.799     -25.814       5.985   3.11 0.429 0.500 0.288 3.159     288.497     290.000       7.091    5 
+    170000       34000.00      24.866     -28.464      -3.598   4.81 0.143 0.778 0.343 2.653     225.602     290.000       6.734    5 
+    180000       36000.00      30.776     -19.916      10.861   7.07 0.214 0.571 0.221 1.593     279.217     290.000      10.694    5 
+    190000       38000.00      28.471     -40.853     -12.382   2.25 0.429 0.500 0.299 0.901     258.307     290.000       7.173    5 
+    200000       40000.00      32.850     -16.003      16.847   5.51 0.286 0.500 0.176 0.973     298.032     290.000       8.755    5 
+    210000       42000.00      26.070     -11.400      14.670   9.40 0.000 1.000 0.273 2.074     236.520     310.000      12.679    5 
+    220000       44000.00      32.836      -7.534      25.302   8.20 0.071 0.833 0.227 1.533     297.903     310.000       9.380    5 
+    230000       46000.00      34.862     -21.032      13.830   5.41 0.071 0.800 0.545 1.777     316.286     310.000       8.426    5 
+    240000       48000.00      32.176     -14.247      17.929   5.28 0.000 1.000 0.424 2.193     291.920     310.000       9.301    5 
+    250000       50000.00      30.342     -25.312       5.029   6.65 0.000 1.000 0.455 1.102     275.276     310.000       9.320    5 
+    260000       52000.00      31.211      -8.792      22.419   5.91 0.071 0.500 0.318 1.919     283.161     310.000       8.224    5 
+    270000       54000.00      35.131     -21.383      13.748   5.54 0.286 0.200 0.282 2.081     318.729     310.000       8.618    5 
+    280000       56000.00      25.803      -9.421      16.383   3.78 0.071 0.800 0.436 1.354     234.102     310.000       7.858    5 
+    290000       58000.00      27.033     -23.382       3.651   5.21 0.143 0.600 0.455 1.137     245.260     310.000       8.873    5 
+    300000       60000.00      32.596     -25.571       7.025   6.34 0.000 1.000 0.420 2.859     295.728     310.000       7.297    5 
+    310000       62000.00      24.800     -18.014       6.786   5.42 0.143 0.750 0.449 1.511     224.999     300.000       6.869    5 
+    320000       64000.00      24.175     -28.653      -4.478   3.36 0.357 0.583 0.239 1.149     219.326     300.000       6.973    5 
+    330000       66000.00      41.591     -25.574      16.017   5.50 0.143 0.667 0.174 0.746     377.336     300.000       8.684    5 
+    340000       68000.00      27.081     -12.844      14.236   9.42 0.071 0.667 0.152 1.410     245.688     300.000      11.373    5 
+    350000       70000.00      33.139     -20.837      12.302  10.06 0.143 0.600 0.173 5.404     300.651     300.000      12.727    5 
+    360000       72000.00      26.429     -23.234       3.195   5.94 0.286 0.556 0.318 2.663     239.775     300.000       7.368    5 
+    370000       74000.00      35.294     -34.031       1.262   4.81 0.286 0.500 0.278 1.165     320.201     300.000       7.388    5 
+    380000       76000.00      26.047     -31.619      -5.572   4.91 0.214 0.786 0.360 1.273     236.309     300.000       6.845    5 
+    390000       78000.00      30.278     -18.153      12.125   6.95 0.071 0.833 0.205 1.627     274.699     300.000       7.756    5 
+    400000       80000.00      28.953     -28.581       0.372   7.69 0.357 0.375 0.199 1.802     262.679     300.000      10.322    5 
+    410000       82000.00      28.568     -35.974      -7.405   5.18 0.214 0.727 0.281 1.294     259.186     290.000       6.632    5 
+    420000       84000.00      23.816     -39.238     -15.422   4.60 0.357 0.500 0.291 1.629     216.069     290.000       7.893    5 
+    430000       86000.00      25.338     -43.300     -17.962   5.33 0.214 0.800 0.327 1.503     229.875     290.000       6.969    5 
+    440000       88000.00      32.844     -30.600       2.244   5.55 0.214 0.571 0.234 1.609     297.979     290.000       7.610    5 
+    450000       90000.00      25.780     -31.577      -5.797   4.15 0.214 0.571 0.162 0.888     233.889     290.000       8.419    5 
+    460000       92000.00      28.391     -36.521      -8.130   4.00 0.214 0.700 0.250 2.812     257.579     290.000       6.969    5 
+    470000       94000.00      22.708     -43.323     -20.615   6.69 0.071 0.909 0.231 1.422     206.017     290.000       6.894    5 
+    480000       96000.00      25.325     -33.605      -8.280   6.20 0.071 0.800 0.209 1.046     229.759     290.000       8.966    5 
+    490000       98000.00      31.604     -26.814       4.790   2.84 0.429 0.333 0.364 1.767     286.724     290.000       7.192    5 
+    500000      100000.00      35.192     -37.476      -2.284   3.13 0.286 0.692 0.262 3.675     319.284     290.000       6.902    5 
+    510000      102000.00      29.901     -36.632      -6.731   3.38 0.214 0.727 0.227 2.124     271.277     280.000       7.152    5 
+    520000      104000.00      22.708     -35.241     -12.533   5.17 0.286 0.714 0.351 1.684     206.023     280.000       6.653    5 
+    530000      106000.00      27.338     -50.479     -23.141   6.04 0.214 0.786 0.331 0.956     248.021     280.000       6.727    5 
+    540000      108000.00      23.084     -40.671     -17.587   4.10 0.286 0.600 0.214 1.220     209.431     280.000       7.079    5 
+    550000      110000.00      23.127     -33.452     -10.325   5.41 0.357 0.667 0.285 1.522     209.816     280.000       6.933    5 
+    560000      112000.00      32.821     -33.580      -0.759   3.75 0.286 0.600 0.291 1.499     297.767     280.000       7.229    5 
+    570000      114000.00      29.317     -40.681     -11.364   4.53 0.286 0.692 0.297 1.291     265.982     280.000       7.045    5 
+    580000      116000.00      32.855     -38.713      -5.858   6.44 0.286 0.692 0.266 1.391     298.081     280.000       6.948    5 
+    590000      118000.00      29.649     -33.155      -3.507   6.74 0.286 0.667 0.261 1.369     268.988     280.000       6.816    5 
+    600000      120000.00      25.035     -31.308      -6.273   4.91 0.143 0.800 0.391 2.041     227.129     280.000       6.657    5 
+    610000      122000.00      27.807     -49.015     -21.209   4.31 0.357 0.643 0.269 0.693     252.276     280.000       7.009    5 
+    620000      124000.00      27.973     -31.158      -3.185   4.17 0.143 0.750 0.375 0.901     253.786     280.000       7.251    5 
+    630000      126000.00      30.300     -25.588       4.711   8.74 0.286 0.556 0.192 1.644     274.894     280.000      10.520    5 
+    640000      128000.00      27.188     -36.564      -9.377   4.71 0.286 0.556 0.308 1.554     246.661     280.000       7.057    5 
+    650000      130000.00      27.278     -38.849     -11.571   4.31 0.214 0.769 0.269 1.727     247.481     280.000       6.602    5 
+    660000      132000.00      17.838     -39.349     -21.511   5.87 0.143 0.778 0.298 1.313     161.836     280.000       7.465    5 
+    670000      134000.00      26.075     -33.337      -7.261   4.67 0.286 0.556 0.177 1.380     236.570     280.000       8.581    5 
+    680000      136000.00      27.139     -38.516     -11.377   6.49 0.286 0.714 0.231 1.869     246.217     280.000       7.501    5 
+    690000      138000.00      27.834     -31.245      -3.411   4.75 0.214 0.700 0.336 1.410     252.524     280.000       6.947    5 
+    700000      140000.00      27.036     -33.418      -6.382   5.34 0.214 0.625 0.216 1.303     245.281     280.000       7.215    5 
+    710000      142000.00      33.904     -23.730      10.174   5.32 0.000 1.000 0.364 1.990     307.591     300.000       7.895    5 
+    720000      144000.00      28.736     -30.929      -2.193   3.77 0.143 0.500 0.182 2.102     260.709     300.000       7.668    5 
+    730000      146000.00      23.745     -32.902      -9.157   4.95 0.357 0.545 0.215 1.260     215.427     300.000       6.778    5 
+    740000      148000.00      29.493     -23.097       6.395   4.69 0.143 0.600 0.218 1.875     267.571     300.000       7.644    5 
+    750000      150000.00      24.406     -32.151      -7.745   5.84 0.286 0.429 0.234 1.866     221.428     300.000       6.913    5 
+    760000      152000.00      25.122     -29.826      -4.704   5.05 0.500 0.533 0.288 1.844     227.918     300.000       6.710    5 
+    770000      154000.00      28.981     -39.842     -10.862   5.92 0.286 0.429 0.201 0.737     262.929     300.000       7.201    5 
+    780000      156000.00      32.556     -37.167      -4.611   4.65 0.286 0.667 0.311 1.561     295.363     300.000       7.266    5 
+    790000      158000.00      27.532     -30.499      -2.967   4.74 0.143 0.714 0.214 1.305     249.782     300.000       8.063    5 
+    800000      160000.00      35.820     -18.042      17.778   7.00 0.286 0.556 0.212 3.574     324.981     300.000       7.815    5 
+    810000      162000.00      28.729     -39.278     -10.549   3.84 0.214 0.700 0.191 2.699     260.643     290.000       7.964    5 
+    820000      164000.00      27.161     -17.596       9.566   4.53 0.214 0.700 0.286 1.847     246.420     290.000       7.247    5 
+    830000      166000.00      24.837     -33.149      -8.312   6.45 0.214 0.700 0.200 2.605     225.335     290.000       7.104    5 
+    840000      168000.00      22.362     -28.135      -5.773   4.11 0.071 0.667 0.303 0.990     202.884     290.000       8.355    5 
+    850000      170000.00      27.121     -37.191     -10.070   7.02 0.357 0.545 0.198 1.875     246.054     290.000       9.573    5 
+    860000      172000.00      33.063     -31.161       1.902   7.89 0.286 0.200 0.164 0.912     299.965     290.000      10.414    5 
+    870000      174000.00      22.506     -28.076      -5.570   3.85 0.214 0.625 0.193 1.411     204.184     290.000       7.752    5 
+    880000      176000.00      25.178     -38.262     -13.084   5.51 0.143 0.714 0.201 1.678     228.428     290.000       8.561    5 
+    890000      178000.00      25.021     -37.523     -12.502   5.06 0.000 1.000 0.208 2.228     227.006     290.000       7.977    5 
+    900000      180000.00      29.410     -34.018      -4.609   6.34 0.214 0.727 0.248 1.846     266.818     290.000       6.843    5 
+    910000      182000.00      36.493     -24.985      11.509   3.37 0.214 0.625 0.148 1.679     331.085     310.000       8.230    5 
+    920000      184000.00      35.854     -22.031      13.823   5.65 0.071 0.667 0.227 1.952     325.285     310.000       8.665    5 
+    930000      186000.00      24.502      -7.921      16.582   8.32 0.000 1.000 0.258 1.502     222.297     310.000      12.258    5 
+    940000      188000.00      34.416     -10.793      23.623   5.06 0.071 0.667 0.500 1.994     312.237     310.000       8.179    5 
+    950000      190000.00      28.473     -31.575      -3.102   5.25 0.143 0.833 0.299 0.992     258.326     310.000       6.813    5 
+    960000      192000.00      30.211       0.695      30.906   9.26 0.143 0.500 0.193 1.590     274.093     310.000      11.030    5 
+    970000      194000.00      34.142     -18.288      15.854   4.59 0.214 0.625 0.403 3.046     309.750     310.000       7.499    5 
+    980000      196000.00      30.226     -16.754      13.472   5.16 0.071 0.667 0.348 2.311     274.225     310.000       8.446    5 
+    990000      198000.00      31.034     -13.193      17.842   5.58 0.071 0.500 0.318 1.818     281.561     310.000       9.042    5 
+   1000000      200000.00      28.811     -20.782       8.029   4.48 0.214 0.500 0.318 1.133     261.386     310.000       7.224    5 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB006.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB006.stat
index 5711364..35a512b 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB006.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB006.stat
@@ -1,101 +1,101 @@
          0           0.00      36.915      24.771      61.686  12.87 0.000   NaN   NaN 0.707     334.911     310.000      15.552    6 
-     10000        2000.00      27.747      -5.809      21.938   5.36 0.071 0.000 0.227 1.371     251.736     310.000       9.571    6 
-     20000        4000.00      31.688     -19.944      11.743   4.79 0.286 0.556 0.293 2.787     287.486     310.000       7.935    6 
-     30000        6000.00      26.955     -35.315      -8.360   4.39 0.143 0.833 0.280 0.878     244.552     310.000       7.239    6 
-     40000        8000.00      28.852     -34.570      -5.718   4.81 0.143 0.778 0.354 1.386     261.757     310.000       7.714    6 
-     50000       10000.00      20.436     -19.424       1.013   3.98 0.143 0.600 0.364 1.209     185.407     310.000       7.881    6 
-     60000       12000.00      35.917     -22.990      12.927   5.34 0.071 0.833 0.273 1.072     325.857     310.000       8.303    6 
-     70000       14000.00      28.931     -17.230      11.701   4.25 0.214 0.625 0.324 3.299     262.475     310.000       7.328    6 
-     80000       16000.00      32.179     -22.972       9.206   4.60 0.214 0.571 0.344 1.156     291.940     310.000       7.609    6 
-     90000       18000.00      25.186     -15.634       9.552   5.30 0.071 0.875 0.466 3.203     228.502     310.000       6.583    6 
-    100000       20000.00      32.593      -8.411      24.182   5.79 0.071 0.667 0.591 1.557     295.705     310.000       8.333    6 
-    110000       22000.00      34.417      -3.409      31.008   5.71 0.000 1.000 0.429 2.876     312.245     340.000       7.363    6 
-    120000       24000.00      32.577     -14.524      18.053   6.84 0.071 0.500 0.205 1.069     295.552     340.000      10.457    6 
-    130000       26000.00      31.219     -10.412      20.807   5.78 0.071 0.833 0.303 1.559     283.233     340.000       8.359    6 
-    140000       28000.00      33.410       4.061      37.470   8.98 0.071 0.500 0.273 2.024     303.110     340.000      12.446    6 
-    150000       30000.00      30.954     -10.472      20.483   7.62 0.143 0.333 0.167 1.436     280.834     340.000      11.999    6 
-    160000       32000.00      36.371     -11.886      24.484   4.04 0.000 1.000 0.470 1.897     329.973     340.000       7.013    6 
-    170000       34000.00      33.588      -5.719      27.870  10.22 0.000 1.000 0.273 1.468     304.732     340.000      12.769    6 
-    180000       36000.00      31.648     -16.333      15.315   5.87 0.143 0.714 0.370 1.312     287.126     340.000       7.363    6 
-    190000       38000.00      29.120     -10.190      18.929   5.61 0.071 0.667 0.697 0.899     264.188     340.000       8.580    6 
-    200000       40000.00      36.949     -13.045      23.904   4.33 0.071 0.750 0.182 1.280     335.223     340.000       8.156    6 
-    210000       42000.00      32.352      -6.155      26.198   7.45 0.000   NaN   NaN 2.320     293.517     330.000      10.202    6 
-    220000       44000.00      29.904      -4.830      25.074   7.82 0.000   NaN   NaN 2.349     271.304     330.000      11.854    6 
-    230000       46000.00      29.894     -12.622      17.272   6.33 0.000 1.000 0.193 1.588     271.213     330.000       9.627    6 
-    240000       48000.00      38.438     -18.552      19.886   4.62 0.214 0.500 0.386 1.828     348.730     330.000       7.155    6 
-    250000       50000.00      33.382     -17.719      15.663   5.69 0.214 0.571 0.227 2.912     302.860     330.000       7.984    6 
-    260000       52000.00      32.065     -29.346       2.719   6.57 0.214 0.625 0.205 1.734     290.914     330.000       7.777    6 
-    270000       54000.00      31.438     -17.421      14.017   7.34 0.071 0.750 0.250 1.799     285.223     330.000       8.875    6 
-    280000       56000.00      31.702     -23.216       8.486   5.57 0.143 0.333 0.394 1.502     287.617     330.000       8.563    6 
-    290000       58000.00      36.352      -3.438      32.914   6.45 0.143 0.600 0.191 2.145     329.806     330.000       9.426    6 
-    300000       60000.00      24.382     -13.131      11.251   7.15 0.143 0.500 0.159 1.658     221.210     330.000      10.650    6 
-    310000       62000.00      31.755      -9.885      21.870   6.81 0.143 0.000 0.136 1.989     288.099     330.000       9.180    6 
-    320000       64000.00      28.831     -20.421       8.410   5.10 0.143 0.667 0.227 1.522     261.569     330.000       8.720    6 
-    330000       66000.00      28.838      -9.143      19.696   8.60 0.214 0.250 0.148 1.306     261.637     330.000      12.252    6 
-    340000       68000.00      34.292     -12.656      21.636   5.20 0.071 0.667 0.348 2.032     311.119     330.000       8.718    6 
-    350000       70000.00      41.048     -15.841      25.207   5.94 0.000 1.000 0.518 1.635     372.408     330.000       9.370    6 
-    360000       72000.00      33.383      -9.243      24.139   6.26 0.071 0.857 0.435 1.523     302.864     330.000       7.285    6 
-    370000       74000.00      35.213     -15.095      20.117   6.35 0.000 1.000 0.506 1.822     319.466     330.000       7.539    6 
-    380000       76000.00      34.953     -13.649      21.303   4.46 0.143 0.667 0.409 2.171     317.107     330.000       7.768    6 
-    390000       78000.00      26.576     -12.882      13.694   5.88 0.071 0.500 0.386 1.869     241.112     330.000       8.351    6 
-    400000       80000.00      29.662      -5.758      23.904   5.02 0.143 0.714 0.468 1.084     269.108     330.000       7.636    6 
-    410000       82000.00      30.007      -7.539      22.468   6.60 0.143 0.000 0.159 0.089     272.239     330.000       9.704    6 
-    420000       84000.00      29.835       4.005      33.840   7.93 0.000 1.000 0.227 2.197     270.681     330.000      11.172    6 
-    430000       86000.00      31.708     -18.809      12.899   5.36 0.071 0.800 0.236 1.577     287.674     330.000       7.684    6 
-    440000       88000.00      29.890     -15.974      13.916   6.97 0.214 0.571 0.221 1.836     271.177     330.000      10.089    6 
-    450000       90000.00      29.806     -15.855      13.951   5.15 0.071 0.833 0.288 1.386     270.418     330.000       8.142    6 
-    460000       92000.00      35.919     -21.332      14.586   5.45 0.214 0.625 0.330 1.057     325.872     330.000       7.445    6 
-    470000       94000.00      36.091     -21.394      14.697   8.37 0.143 0.333 0.136 0.877     327.433     330.000      12.022    6 
-    480000       96000.00      28.367      -5.676      22.691   8.64 0.071 0.667 0.212 1.106     257.362     330.000      10.947    6 
-    490000       98000.00      29.612     -12.215      17.397   4.65 0.071 0.750 0.295 1.833     268.658     330.000       7.636    6 
-    500000      100000.00      37.134       7.613      44.747   7.79 0.000 1.000 0.356 1.646     336.896     330.000       8.613    6 
-    510000      102000.00      29.551     -12.975      16.575   6.95 0.000 1.000 0.348 1.391     268.099     320.000       8.871    6 
-    520000      104000.00      23.223     -18.851       4.371   3.36 0.143 0.600 0.291 2.050     210.688     320.000       7.919    6 
-    530000      106000.00      33.676     -21.848      11.828   4.16 0.214 0.250 0.148 1.191     305.528     320.000       7.900    6 
-    540000      108000.00      31.073      -9.214      21.859   4.57 0.000 1.000 0.379 1.773     281.910     320.000       7.771    6 
-    550000      110000.00      34.592     -23.772      10.819   4.49 0.286 0.600 0.286 1.301     313.833     320.000       7.261    6 
-    560000      112000.00      31.960     -19.485      12.475   4.46 0.286 0.600 0.250 1.387     289.957     320.000       7.322    6 
-    570000      114000.00      40.283     -27.800      12.483   5.91 0.143 0.846 0.381 1.739     365.466     320.000       6.812    6 
-    580000      116000.00      34.749     -21.484      13.265   7.82 0.000 1.000 0.307 1.248     315.261     320.000       7.764    6 
-    590000      118000.00      32.073      -7.741      24.332   5.10 0.071 0.000 0.136 1.074     290.982     320.000      10.180    6 
-    600000      120000.00      35.558     -26.894       8.664   4.37 0.071 0.875 0.278 1.057     322.600     320.000       7.953    6 
-    610000      122000.00      37.587     -32.765       4.822   4.59 0.357 0.583 0.348 2.023     341.007     310.000       7.111    6 
-    620000      124000.00      32.999     -24.933       8.066   4.52 0.143 0.600 0.300 1.790     299.384     310.000       7.507    6 
-    630000      126000.00      28.254     -14.153      14.101   4.85 0.143 0.714 0.292 1.821     256.331     310.000       8.529    6 
-    640000      128000.00      26.859     -18.685       8.174   7.65 0.071 0.750 0.170 1.621     243.681     310.000      10.010    6 
-    650000      130000.00      33.312     -28.640       4.671   3.50 0.214 0.625 0.330 1.181     302.221     310.000       7.399    6 
-    660000      132000.00      47.162     -21.501      25.662   4.64 0.286 0.556 0.429 2.631     427.882     310.000       7.677    6 
-    670000      134000.00      26.153     -17.946       8.207   5.34 0.143 0.600 0.136 1.752     237.270     310.000       9.129    6 
-    680000      136000.00      28.688     -37.138      -8.450   4.32 0.357 0.500 0.286 1.551     260.270     310.000       7.211    6 
-    690000      138000.00      38.629     -30.030       8.598   3.81 0.286 0.333 0.311 1.747     350.460     310.000       7.891    6 
-    700000      140000.00      28.251     -24.644       3.607   4.35 0.286 0.600 0.282 1.706     256.307     310.000       8.536    6 
-    710000      142000.00      26.656     -33.259      -6.603   2.98 0.500 0.500 0.305 1.361     241.837     300.000       6.853    6 
-    720000      144000.00      27.257     -36.176      -8.919   3.04 0.357 0.500 0.277 1.261     247.288     300.000       7.368    6 
-    730000      146000.00      26.577     -15.231      11.346   5.15 0.143 0.778 0.268 1.752     241.122     300.000       7.602    6 
-    740000      148000.00      24.708     -32.231      -7.523   4.59 0.214 0.769 0.343 1.290     224.168     300.000       6.970    6 
-    750000      150000.00      32.811     -27.078       5.733   3.76 0.214 0.750 0.420 1.097     297.675     300.000       7.573    6 
-    760000      152000.00      27.790     -16.771      11.019   5.48 0.286 0.500 0.341 1.737     252.121     300.000       7.195    6 
-    770000      154000.00      28.651     -30.877      -2.226   3.89 0.286 0.600 0.250 0.783     259.933     300.000       7.285    6 
-    780000      156000.00      29.179     -21.736       7.442   6.24 0.143 0.818 0.393 1.046     264.722     300.000       7.051    6 
-    790000      158000.00      29.845     -21.337       8.508   4.68 0.071 0.800 0.209 1.543     270.769     300.000       7.677    6 
-    800000      160000.00      30.302     -25.906       4.396   4.72 0.286 0.636 0.273 2.536     274.914     300.000       7.307    6 
-    810000      162000.00      22.834     -32.575      -9.741   5.93 0.071 0.900 0.400 1.190     207.163     290.000       6.968    6 
-    820000      164000.00      27.885     -26.492       1.393   4.60 0.143 0.500 0.420 1.767     252.989     290.000       7.745    6 
-    830000      166000.00      30.081     -30.942      -0.861   6.61 0.143 0.818 0.405 1.515     272.908     290.000       6.927    6 
-    840000      168000.00      24.366     -19.041       5.325   5.54 0.214 0.667 0.197 1.840     221.063     290.000       8.040    6 
-    850000      170000.00      26.025     -24.841       1.184   5.57 0.143 0.600 0.273 1.196     236.109     290.000       7.691    6 
-    860000      172000.00      25.556     -16.509       9.047   5.34 0.071 0.750 0.239 1.966     231.855     290.000       8.860    6 
-    870000      174000.00      29.643     -35.293      -5.649   3.21 0.357 0.688 0.338 2.234     268.939     290.000       6.709    6 
-    880000      176000.00      26.528     -21.638       4.890   6.85 0.071 0.800 0.318 0.885     240.671     290.000       9.896    6 
-    890000      178000.00      27.661     -30.559      -2.898   3.89 0.357 0.500 0.355 1.169     250.955     290.000       7.387    6 
-    900000      180000.00      29.822     -24.709       5.113   3.79 0.214 0.625 0.381 0.876     270.556     290.000       7.066    6 
-    910000      182000.00      35.108     -14.986      20.122   3.59 0.143 0.600 0.200 1.088     318.521     310.000       7.147    6 
-    920000      184000.00      33.238     -19.249      13.988   4.07 0.286 0.500 0.261 1.649     301.550     310.000       8.052    6 
-    930000      186000.00      28.175     -31.537      -3.362   3.75 0.286 0.636 0.326 0.905     255.614     310.000       6.689    6 
-    940000      188000.00      33.965     -38.722      -4.757   4.63 0.214 0.667 0.247 1.793     308.146     310.000       7.278    6 
-    950000      190000.00      36.952     -15.690      21.262   4.38 0.071 0.833 0.386 1.182     335.249     310.000       7.830    6 
-    960000      192000.00      32.787     -27.946       4.841   4.12 0.286 0.600 0.386 1.559     297.462     310.000       8.054    6 
-    970000      194000.00      32.542     -31.751       0.791   4.97 0.214 0.769 0.311 1.456     295.237     310.000       7.121    6 
-    980000      196000.00      31.061     -18.627      12.434   7.30 0.214 0.500 0.258 2.620     281.803     310.000       9.358    6 
-    990000      198000.00      29.726     -21.510       8.216   3.63 0.429 0.571 0.308 2.055     269.685     310.000       7.020    6 
-   1000000      200000.00      32.434     -23.041       9.393   4.29 0.143 0.667 0.311 1.150     294.262     310.000       7.407    6 
+     10000        2000.00      29.698     -24.561       5.137   6.52 0.143 0.778 0.288 2.618     269.434     310.000       6.909    6 
+     20000        4000.00      29.800      -6.958      22.841   6.44 0.000 1.000 0.386 1.459     270.359     310.000       9.160    6 
+     30000        6000.00      25.162     -43.111     -17.949   6.60 0.286 0.556 0.212 0.766     228.280     310.000       7.938    6 
+     40000        8000.00      27.541     -29.454      -1.913   7.50 0.357 0.375 0.182 1.458     249.864     310.000       8.250    6 
+     50000       10000.00      20.913     -20.389       0.523   4.25 0.214 0.667 0.217 1.507     189.733     310.000       8.099    6 
+     60000       12000.00      38.445     -30.809       7.637   4.30 0.214 0.667 0.237 0.642     348.797     310.000       8.247    6 
+     70000       14000.00      28.966     -22.171       6.795   4.77 0.214 0.571 0.390 2.171     262.792     310.000       7.259    6 
+     80000       16000.00      35.849     -18.284      17.565   5.27 0.214 0.769 0.364 3.315     325.241     310.000       7.403    6 
+     90000       18000.00      32.784     -28.364       4.420   5.98 0.214 0.700 0.277 1.454     297.436     310.000       7.161    6 
+    100000       20000.00      34.616     -26.264       8.352   5.01 0.357 0.375 0.290 1.896     314.056     310.000       7.198    6 
+    110000       22000.00      27.398     -32.703      -5.305   3.63 0.357 0.688 0.332 2.112     248.565     300.000       7.017    6 
+    120000       24000.00      25.510     -31.509      -5.999   4.81 0.286 0.636 0.302 1.597     231.440     300.000       7.079    6 
+    130000       26000.00      30.630     -27.706       2.924   4.42 0.214 0.400 0.255 1.534     277.889     300.000       7.371    6 
+    140000       28000.00      29.679     -14.015      15.664   5.38 0.071 0.750 0.159 2.049     269.268     300.000       9.691    6 
+    150000       30000.00      27.400     -44.745     -17.345   5.18 0.214 0.667 0.343 1.769     248.586     300.000       6.825    6 
+    160000       32000.00      34.257     -30.219       4.038   4.60 0.143 0.818 0.426 2.204     310.796     300.000       7.096    6 
+    170000       34000.00      27.058     -25.531       1.527   6.92 0.000 1.000 0.258 1.722     245.485     300.000       7.151    6 
+    180000       36000.00      22.762     -25.275      -2.513   5.62 0.143 0.500 0.273 1.541     206.507     300.000       8.023    6 
+    190000       38000.00      26.404     -29.643      -3.239   4.57 0.357 0.545 0.231 1.966     239.548     300.000       7.436    6 
+    200000       40000.00      32.524     -29.878       2.646   4.16 0.286 0.692 0.357 2.069     295.072     300.000       6.923    6 
+    210000       42000.00      28.527     -26.275       2.252   3.58 0.071 0.800 0.264 4.991     258.813     290.000       7.668    6 
+    220000       44000.00      31.134     -38.603      -7.469   3.74 0.286 0.600 0.273 2.196     282.463     290.000       7.256    6 
+    230000       46000.00      28.579     -40.685     -12.106   4.81 0.214 0.750 0.242 0.778     259.285     290.000       7.051    6 
+    240000       48000.00      28.773     -29.388      -0.615   4.45 0.214 0.667 0.182 3.183     261.043     290.000       7.757    6 
+    250000       50000.00      29.259     -23.999       5.260   4.08 0.143 0.778 0.278 1.469     265.453     290.000       6.999    6 
+    260000       52000.00      27.516     -24.045       3.471   5.81 0.286 0.556 0.399 1.943     249.640     290.000       7.508    6 
+    270000       54000.00      25.334     -32.361      -7.027   6.09 0.214 0.625 0.381 2.407     229.842     290.000       7.137    6 
+    280000       56000.00      28.241     -43.428     -15.187   4.74 0.143 0.714 0.247 2.842     256.213     290.000       6.876    6 
+    290000       58000.00      31.664     -33.261      -1.597   4.23 0.429 0.538 0.280 2.791     287.269     290.000       7.239    6 
+    300000       60000.00      24.271     -34.033      -9.762   4.41 0.286 0.556 0.298 2.413     220.200     290.000       8.328    6 
+    310000       62000.00      28.424     -24.942       3.482   3.49 0.429 0.500 0.273 2.280     257.876     320.000       7.216    6 
+    320000       64000.00      29.114     -17.306      11.807   6.10 0.000 1.000 0.282 2.372     264.135     320.000       7.716    6 
+    330000       66000.00      29.015     -16.506      12.508   6.07 0.071 0.750 0.489 1.420     263.236     320.000       7.570    6 
+    340000       68000.00      37.019     -25.349      11.670   6.76 0.071 0.800 0.236 0.934     335.858     320.000       7.765    6 
+    350000       70000.00      37.013      -2.210      34.803   8.61 0.000 1.000 0.273 2.443     335.800     320.000      11.719    6 
+    360000       72000.00      29.830     -11.909      17.921  12.22 0.143 0.000 0.136 2.759     270.636     320.000      15.371    6 
+    370000       74000.00      33.240      -0.197      33.043   6.42 0.000 1.000 0.379 2.155     301.571     320.000       8.507    6 
+    380000       76000.00      35.579     -19.501      16.078   3.70 0.214 0.700 0.282 2.326     322.790     320.000       7.626    6 
+    390000       78000.00      27.898     -24.669       3.229   5.16 0.214 0.625 0.426 2.063     253.107     320.000       7.713    6 
+    400000       80000.00      25.263     -17.098       8.166   4.67 0.214 0.625 0.324 1.708     229.202     320.000       7.200    6 
+    410000       82000.00      28.174     -30.906      -2.732   4.29 0.214 0.700 0.341 1.374     255.608     310.000       7.276    6 
+    420000       84000.00      28.581     -25.103       3.477   3.56 0.143 0.714 0.214 0.787     259.297     310.000       7.741    6 
+    430000       86000.00      28.000     -27.729       0.271   4.68 0.286 0.500 0.301 2.249     254.033     310.000       7.172    6 
+    440000       88000.00      29.077     -22.995       6.082   7.71 0.000 1.000 0.136 1.280     263.804     310.000      10.138    6 
+    450000       90000.00      31.574     -22.269       9.304   3.78 0.357 0.444 0.313 1.349     286.451     310.000       8.719    6 
+    460000       92000.00      28.659     -14.185      14.474   5.98 0.071 0.833 0.311 1.248     260.008     310.000       7.859    6 
+    470000       94000.00      31.565     -27.671       3.894   4.08 0.286 0.667 0.333 2.286     286.377     310.000       7.188    6 
+    480000       96000.00      28.878     -17.586      11.292   8.34 0.143 0.000 0.159 3.272     261.993     310.000      12.078    6 
+    490000       98000.00      27.332     -34.084      -6.752   4.53 0.286 0.429 0.253 1.842     247.966     310.000       7.449    6 
+    500000      100000.00      40.111     -17.057      23.054   7.01 0.143 0.000 0.159 2.624     363.909     310.000       9.722    6 
+    510000      102000.00      33.468      -3.261      30.206   4.66 0.214 0.400 0.464 1.792     303.635     330.000       8.318    6 
+    520000      104000.00      30.600     -13.789      16.812   5.09 0.071 0.667 0.242 2.696     277.621     330.000       8.947    6 
+    530000      106000.00      31.351      -5.382      25.969   7.02 0.000 1.000 0.159 1.335     284.435     330.000      10.554    6 
+    540000      108000.00      32.972     -16.136      16.836   5.72 0.071 0.750 0.432 2.323     299.141     330.000       9.783    6 
+    550000      110000.00      36.332     -11.456      24.876   5.46 0.214 0.250 0.330 2.510     329.621     330.000       8.649    6 
+    560000      112000.00      36.698     -10.311      26.387   7.78 0.000 1.000 0.182 0.990     332.942     330.000      10.415    6 
+    570000      114000.00      39.125      -0.035      39.091   7.07 0.143 0.600 0.155 2.450     354.965     330.000       9.418    6 
+    580000      116000.00      36.721     -15.487      21.234   3.81 0.214 0.250 0.284 2.202     333.149     330.000       8.035    6 
+    590000      118000.00      39.939     -18.675      21.264   4.93 0.071 0.857 0.675 1.047     362.350     330.000       8.163    6 
+    600000      120000.00      37.383     -19.163      18.220   4.29 0.071 0.750 0.420 1.707     339.161     330.000       7.632    6 
+    610000      122000.00      37.905     -29.404       8.501   4.03 0.071 0.875 0.330 1.481     343.896     320.000       7.002    6 
+    620000      124000.00      36.265     -23.932      12.333   4.46 0.286 0.333 0.174 1.642     329.014     320.000       7.718    6 
+    630000      126000.00      28.080     -25.707       2.373   6.98 0.214 0.727 0.264 1.169     254.759     320.000       7.622    6 
+    640000      128000.00      26.190     -18.416       7.774   5.54 0.000 1.000 0.273 0.782     237.609     320.000       8.532    6 
+    650000      130000.00      28.662       5.011      33.673   6.56 0.071 0.500 0.136 2.366     260.037     320.000       9.484    6 
+    660000      132000.00      42.525       4.004      46.529   5.34 0.000 1.000 0.295 2.269     385.807     320.000       9.331    6 
+    670000      134000.00      29.937     -17.098      12.839   4.82 0.071 0.750 0.193 2.049     271.600     320.000       8.253    6 
+    680000      136000.00      25.950     -24.710       1.241   4.15 0.214 0.625 0.267 2.051     235.435     320.000       7.841    6 
+    690000      138000.00      42.243     -11.711      30.532   5.46 0.071 0.833 0.477 3.514     383.252     320.000       7.466    6 
+    700000      140000.00      30.733     -23.923       6.811   3.47 0.357 0.500 0.300 1.841     278.828     320.000       7.355    6 
+    710000      142000.00      30.668     -31.327      -0.658   3.14 0.071 0.800 0.236 2.090     278.239     310.000       7.904    6 
+    720000      144000.00      27.937     -24.076       3.861   4.00 0.286 0.429 0.149 1.529     253.456     310.000       8.471    6 
+    730000      146000.00      27.275     -30.508      -3.233   3.70 0.214 0.625 0.301 0.831     247.451     310.000       7.302    6 
+    740000      148000.00      25.935     -15.946       9.989   6.13 0.214 0.250 0.182 1.090     235.296     310.000      10.200    6 
+    750000      150000.00      33.735     -21.244      12.491   7.58 0.143 0.667 0.205 1.043     306.059     310.000       8.916    6 
+    760000      152000.00      29.346     -27.478       1.868   5.91 0.214 0.700 0.364 2.028     266.239     310.000       6.571    6 
+    770000      154000.00      33.960     -35.892      -1.932   5.75 0.214 0.700 0.264 1.165     308.099     310.000       6.919    6 
+    780000      156000.00      31.717     -29.777       1.940   4.85 0.286 0.500 0.188 2.011     287.750     310.000       7.864    6 
+    790000      158000.00      30.308     -29.016       1.292   4.94 0.357 0.375 0.188 1.482     274.968     310.000       7.398    6 
+    800000      160000.00      29.663     -32.933      -3.270   6.08 0.357 0.583 0.277 1.792     269.119     310.000       6.880    6 
+    810000      162000.00      23.844     -33.556      -9.712   6.29 0.357 0.444 0.197 1.717     216.325     300.000       7.261    6 
+    820000      164000.00      28.321     -28.069       0.253   4.56 0.357 0.583 0.273 1.844     256.944     300.000       7.572    6 
+    830000      166000.00      32.399     -34.088      -1.689   4.67 0.143 0.778 0.268 1.938     293.936     300.000       8.182    6 
+    840000      168000.00      33.118     -28.448       4.670   3.77 0.071 0.875 0.483 3.457     300.465     300.000       7.515    6 
+    850000      170000.00      26.572     -21.308       5.265   6.05 0.357 0.615 0.322 2.630     241.079     300.000       7.269    6 
+    860000      172000.00      27.735     -23.767       3.968   5.57 0.214 0.667 0.293 2.218     251.627     300.000       7.149    6 
+    870000      174000.00      32.662     -23.622       9.040   5.78 0.143 0.500 0.307 1.682     296.326     300.000       7.631    6 
+    880000      176000.00      26.671     -15.081      11.590   6.67 0.071 0.750 0.216 0.992     241.973     300.000       8.389    6 
+    890000      178000.00      29.158     -20.372       8.785   4.79 0.071 0.889 0.348 0.709     264.534     300.000       7.289    6 
+    900000      180000.00      31.825     -18.747      13.078   6.37 0.357 0.545 0.269 2.397     288.733     300.000       8.947    6 
+    910000      182000.00      32.026     -30.830       1.196   5.64 0.214 0.700 0.232 1.185     290.555     290.000       8.473    6 
+    920000      184000.00      29.889     -26.739       3.150   8.06 0.143 0.600 0.164 1.383     271.169     290.000      11.360    6 
+    930000      186000.00      27.203     -19.535       7.669   3.58 0.214 0.700 0.373 0.757     246.803     290.000       7.343    6 
+    940000      188000.00      25.539     -36.712     -11.173   2.84 0.357 0.615 0.269 1.369     231.701     290.000       6.771    6 
+    950000      190000.00      33.391     -34.318      -0.928   3.60 0.357 0.545 0.355 1.342     302.938     290.000       6.995    6 
+    960000      192000.00      28.998     -35.008      -6.010   3.30 0.286 0.600 0.264 1.740     263.088     290.000       7.186    6 
+    970000      194000.00      30.085     -37.446      -7.361   3.05 0.571 0.467 0.273 2.090     272.946     290.000       6.765    6 
+    980000      196000.00      28.883     -37.473      -8.590   3.97 0.214 0.700 0.268 2.476     262.045     290.000       7.459    6 
+    990000      198000.00      29.002     -45.104     -16.101   3.13 0.500 0.462 0.308 1.886     263.122     290.000       6.466    6 
+   1000000      200000.00      28.854     -31.624      -2.771   2.97 0.357 0.583 0.345 1.094     261.776     290.000       6.722    6 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB007.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB007.stat
index 161f867..894ebed 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB007.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB007.stat
@@ -1,101 +1,101 @@
          0           0.00      39.801      24.717      64.518  12.87 0.000   NaN   NaN 0.706     361.091     320.000      15.552    7 
-     10000        2000.00      38.052     -23.729      14.323   4.54 0.214 0.727 0.331 0.931     345.228     320.000       7.376    7 
-     20000        4000.00      35.163     -27.209       7.954   5.18 0.214 0.500 0.333 2.894     319.021     320.000       8.006    7 
-     30000        6000.00      27.979     -11.017      16.962   5.97 0.214 0.625 0.409 2.288     253.839     320.000       7.930    7 
-     40000        8000.00      33.514      -2.778      30.736   6.69 0.000 1.000 0.295 1.731     304.056     320.000       9.759    7 
-     50000       10000.00      25.845     -20.082       5.763   5.44 0.071 0.800 0.218 1.782     234.480     320.000       8.976    7 
-     60000       12000.00      33.176     -12.333      20.844   7.06 0.071 0.667 0.227 1.519     300.992     320.000       9.756    7 
-     70000       14000.00      25.992     -13.660      12.332   4.91 0.071 0.875 0.381 1.904     235.811     320.000       8.305    7 
-     80000       16000.00      34.364      -3.241      31.124   8.35 0.000 1.000 0.341 2.026     311.772     320.000       9.104    7 
-     90000       18000.00      33.301     -17.030      16.271   4.76 0.143 0.714 0.260 1.703     302.127     320.000       8.032    7 
-    100000       20000.00      35.094     -15.540      19.555   4.85 0.071 0.667 0.182 2.370     318.394     320.000       8.761    7 
-    110000       22000.00      30.769     -29.067       1.702   3.70 0.214 0.625 0.324 1.513     279.157     310.000       7.045    7 
-    120000       24000.00      26.080     -29.484      -3.403   3.63 0.357 0.500 0.323 2.471     236.614     310.000       7.353    7 
-    130000       26000.00      39.689     -21.108      18.581   4.43 0.286 0.500 0.307 1.461     360.080     310.000       7.660    7 
-    140000       28000.00      34.476     -11.885      22.592   5.34 0.143 0.500 0.420 3.062     312.788     310.000       7.921    7 
-    150000       30000.00      28.277     -14.339      13.937   6.84 0.000 1.000 0.227 0.864     256.541     310.000       8.664    7 
-    160000       32000.00      25.166     -26.039      -0.873   6.94 0.071 0.833 0.326 1.008     228.319     310.000       6.998    7 
-    170000       34000.00      22.909     -23.796      -0.887   5.36 0.143 0.778 0.288 1.860     207.842     310.000       7.178    7 
-    180000       36000.00      36.173     -22.064      14.109   5.82 0.071 0.857 0.390 1.963     328.181     310.000       7.122    7 
-    190000       38000.00      28.209     -27.344       0.864   5.66 0.214 0.727 0.240 1.319     255.922     310.000       7.369    7 
-    200000       40000.00      32.375     -33.398      -1.022   4.44 0.214 0.769 0.402 0.852     293.725     310.000       6.627    7 
-    210000       42000.00      32.304     -31.986       0.318   2.93 0.500 0.417 0.303 1.604     293.074     300.000       6.626    7 
-    220000       44000.00      28.234     -38.484     -10.250   4.00 0.286 0.733 0.412 0.824     256.152     300.000       6.472    7 
-    230000       46000.00      26.598     -18.116       8.482   3.26 0.214 0.700 0.286 1.525     241.313     300.000       7.613    7 
-    240000       48000.00      28.698     -16.931      11.767   5.18 0.214 0.727 0.335 3.105     260.366     300.000       7.052    7 
-    250000       50000.00      37.986     -22.727      15.260   5.19 0.143 0.778 0.333 2.142     344.633     300.000       6.619    7 
-    260000       52000.00      31.217     -34.762      -3.545   4.00 0.286 0.556 0.354 2.004     283.221     300.000       7.129    7 
-    270000       54000.00      30.242     -27.157       3.085   3.57 0.143 0.500 0.227 4.611     274.373     300.000       8.267    7 
-    280000       56000.00      28.517     -30.865      -2.349   3.06 0.429 0.400 0.323 2.161     258.717     300.000       7.205    7 
-    290000       58000.00      41.430     -39.718       1.712   3.21 0.500 0.632 0.354 1.702     375.875     300.000       6.772    7 
-    300000       60000.00      26.885     -18.840       8.045   5.11 0.286 0.636 0.298 2.256     243.911     300.000       6.997    7 
-    310000       62000.00      25.914     -21.251       4.663   4.46 0.000 1.000 0.405 2.255     235.108     320.000       7.251    7 
-    320000       64000.00      29.863     -25.050       4.813   6.24 0.071 0.750 0.307 2.441     270.930     320.000       7.318    7 
-    330000       66000.00      35.966     -29.076       6.890   3.58 0.071 0.889 0.283 1.431     326.303     320.000       7.288    7 
-    340000       68000.00      33.821     -15.143      18.678   5.69 0.071 0.500 0.159 1.335     306.841     320.000      10.210    7 
-    350000       70000.00      24.672     -17.957       6.715   5.03 0.143 0.750 0.352 1.156     223.834     320.000       7.966    7 
-    360000       72000.00      37.880     -16.181      21.699   6.56 0.000 1.000 0.474 0.907     343.668     320.000       8.946    7 
-    370000       74000.00      37.700     -17.866      19.833   5.49 0.071 0.857 0.396 4.041     342.033     320.000       7.678    7 
-    380000       76000.00      44.815     -15.557      29.258   6.43 0.214 0.700 0.232 2.036     406.586     320.000       7.745    7 
-    390000       78000.00      22.041     -26.329      -4.288   5.27 0.143 0.714 0.403 1.565     199.970     320.000       7.864    7 
-    400000       80000.00      28.661     -13.806      14.856   5.59 0.071 0.857 0.364 1.738     260.032     320.000       7.873    7 
-    410000       82000.00      28.195     -16.418      11.777   5.70 0.071 0.667 0.348 1.364     255.798     320.000       7.543    7 
-    420000       84000.00      28.975     -33.470      -4.496   3.53 0.214 0.571 0.253 1.042     262.876     320.000       7.615    7 
-    430000       86000.00      31.630     -32.395      -0.764   2.91 0.214 0.727 0.322 1.237     286.965     320.000       6.585    7 
-    440000       88000.00      33.165     -28.269       4.896   3.75 0.357 0.444 0.278 1.848     300.892     320.000       8.234    7 
-    450000       90000.00      28.341     -11.758      16.582   5.81 0.071 0.857 0.351 1.803     257.120     320.000       8.599    7 
-    460000       92000.00      27.368     -13.405      13.963   4.78 0.143 0.714 0.357 0.910     248.296     320.000       7.896    7 
-    470000       94000.00      34.183     -20.026      14.158   4.49 0.286 0.556 0.288 2.057     310.130     320.000       7.408    7 
-    480000       96000.00      31.948     -27.844       4.104   4.98 0.286 0.500 0.307 2.559     289.847     320.000       7.780    7 
-    490000       98000.00      33.917     -12.903      21.014   4.54 0.071 0.500 0.159 2.338     307.713     320.000       8.556    7 
-    500000      100000.00      30.825     -21.029       9.796   5.53 0.143 0.667 0.364 1.778     279.663     320.000       7.063    7 
-    510000      102000.00      30.109     -18.618      11.491   5.32 0.214 0.727 0.355 1.738     273.164     310.000       6.803    7 
-    520000      104000.00      35.653     -23.842      11.811   7.00 0.071 0.667 0.152 2.249     323.462     310.000       8.740    7 
-    530000      106000.00      28.347     -26.609       1.738   5.75 0.214 0.727 0.380 3.526     257.179     310.000       7.589    7 
-    540000      108000.00      25.905     -13.971      11.934  10.41 0.071 0.667 0.167 2.482     235.025     310.000      13.068    7 
-    550000      110000.00      27.984     -12.315      15.670   4.27 0.214 0.571 0.377 1.965     253.888     310.000       8.292    7 
-    560000      112000.00      25.327     -14.717      10.610   4.96 0.143 0.667 0.485 1.718     229.778     310.000       7.200    7 
-    570000      114000.00      36.431     -37.509      -1.078   4.17 0.357 0.615 0.353 2.924     330.520     310.000       6.964    7 
-    580000      116000.00      32.153     -17.420      14.733   4.34 0.286 0.500 0.324 0.720     291.707     310.000       7.203    7 
-    590000      118000.00      34.796     -22.531      12.265   4.52 0.071 0.833 0.273 2.123     315.690     310.000       7.182    7 
-    600000      120000.00      43.137     -23.079      20.059   4.95 0.286 0.500 0.290 1.328     391.364     310.000       8.271    7 
-    610000      122000.00      30.955     -15.033      15.922   6.51 0.071 0.909 0.430 2.251     280.839     340.000       7.322    7 
-    620000      124000.00      31.261       0.078      31.339   4.69 0.143 0.500 0.364 1.989     283.618     340.000       7.629    7 
-    630000      126000.00      26.174      -4.600      21.573   6.39 0.071 0.833 0.356 3.514     237.460     340.000       8.436    7 
-    640000      128000.00      35.201      -9.651      25.549   6.45 0.071 0.667 0.227 2.552     319.357     340.000       9.140    7 
-    650000      130000.00      42.506      -1.040      41.466   5.38 0.000 1.000 0.352 1.985     385.632     340.000       8.606    7 
-    660000      132000.00      36.215     -20.948      15.266   6.67 0.143 0.778 0.359 2.122     328.557     340.000       7.234    7 
-    670000      134000.00      33.979      -9.989      23.990   6.75 0.071 0.500 0.159 1.991     308.276     340.000      10.591    7 
-    680000      136000.00      35.328       1.913      37.241   7.60 0.000 1.000 0.205 1.596     320.516     340.000      10.947    7 
-    690000      138000.00      39.842     -10.088      29.754   7.01 0.143 0.500 0.182 2.290     361.464     340.000       7.796    7 
-    700000      140000.00      31.890     -19.790      12.100   4.32 0.143 0.818 0.331 1.765     289.325     340.000       6.849    7 
-    710000      142000.00      38.202      -0.165      38.038   5.85 0.000 1.000 0.242 2.242     346.592     330.000       8.505    7 
-    720000      144000.00      32.004      -8.788      23.216   5.23 0.000 1.000 0.727 1.208     290.356     330.000       9.472    7 
-    730000      146000.00      37.126     -18.732      18.394   4.30 0.214 0.250 0.239 1.384     336.826     330.000       8.358    7 
-    740000      148000.00      34.981      -7.807      27.174   6.10 0.000 1.000 0.136 1.983     317.368     330.000       8.382    7 
-    750000      150000.00      29.199     -23.641       5.559   5.38 0.143 0.800 0.314 2.073     264.913     330.000       6.895    7 
-    760000      152000.00      34.526     -13.765      20.762   4.60 0.286 0.600 0.373 1.723     313.242     330.000       7.789    7 
-    770000      154000.00      30.500     -14.650      15.850   6.82 0.214 0.571 0.214 1.445     276.709     330.000       8.293    7 
-    780000      156000.00      30.412     -14.346      16.066   5.97 0.143 0.750 0.347 3.300     275.913     330.000       7.700    7 
-    790000      158000.00      25.701      -2.851      22.850   5.25 0.143 0.600 0.336 2.438     233.172     330.000       8.783    7 
-    800000      160000.00      31.592     -14.929      16.663   6.64 0.143 0.667 0.326 2.632     286.616     330.000       7.725    7 
-    810000      162000.00      30.216      -7.461      22.755   6.23 0.000 1.000 0.318 1.256     274.133     320.000       9.431    7 
-    820000      164000.00      32.404      -5.836      26.568   5.77 0.143 0.714 0.247 2.924     293.984     320.000       8.293    7 
-    830000      166000.00      29.629      -4.049      25.580  10.62 0.000   NaN   NaN 2.995     268.809     320.000      14.098    7 
-    840000      168000.00      39.455     -26.189      13.267   3.38 0.214 0.400 0.364 1.307     357.958     320.000       7.819    7 
-    850000      170000.00      30.268     -22.294       7.973   5.42 0.214 0.700 0.341 1.969     274.603     320.000       7.180    7 
-    860000      172000.00      29.285     -19.491       9.794   6.69 0.071 0.857 0.266 2.344     265.690     320.000       7.856    7 
-    870000      174000.00      38.619     -23.618      15.001   3.39 0.143 0.714 0.442 1.444     350.376     320.000       7.567    7 
-    880000      176000.00      35.780     -10.654      25.126   6.21 0.143 0.714 0.305 2.189     324.616     320.000       7.033    7 
-    890000      178000.00      27.495     -17.547       9.948   6.40 0.071 0.750 0.409 3.201     249.453     320.000       7.233    7 
-    900000      180000.00      40.456      -0.152      40.304   8.77 0.000   NaN   NaN 1.329     367.036     320.000      13.326    7 
-    910000      182000.00      46.540      11.785      58.325   7.00 0.000   NaN   NaN 2.623     422.233     400.000       9.407    7 
-    920000      184000.00      35.766       3.469      39.235   9.82 0.071 0.000 0.182 1.582     324.489     400.000      13.262    7 
-    930000      186000.00      32.437       0.382      32.820   4.54 0.143 0.000 0.750 1.371     294.288     400.000       9.185    7 
-    940000      188000.00      35.415       2.085      37.500   7.28 0.000   NaN   NaN 4.108     321.306     400.000      11.357    7 
-    950000      190000.00      37.706      -2.732      34.974  10.15 0.071 0.000 0.136 2.313     342.087     400.000      13.394    7 
-    960000      192000.00      42.623       7.633      50.255  10.26 0.071 0.500 0.136 1.673     386.697     400.000      13.193    7 
-    970000      194000.00      34.383       0.101      34.484   9.14 0.071 0.000 0.136 2.450     311.941     400.000      12.687    7 
-    980000      196000.00      39.941       4.004      43.945   5.63 0.143 0.500 0.341 2.370     362.364     400.000       8.672    7 
-    990000      198000.00      35.713      16.693      52.406   9.21 0.000 1.000 0.136 2.574     324.007     400.000      13.066    7 
-   1000000      200000.00      35.452       6.091      41.543   5.13 0.071 0.500 0.250 3.893     321.636     400.000       8.589    7 
+     10000        2000.00      34.034     -16.731      17.303   4.90 0.000 1.000 0.348 1.370     308.771     320.000       7.487    7 
+     20000        4000.00      32.444     -23.400       9.044   7.80 0.214 0.400 0.173 2.033     294.353     320.000       8.544    7 
+     30000        6000.00      23.547      -7.840      15.707   6.57 0.000 1.000 0.375 2.033     213.628     320.000       7.843    7 
+     40000        8000.00      30.587     -24.183       6.404   4.72 0.071 0.833 0.242 1.502     277.500     320.000       7.932    7 
+     50000       10000.00      22.752     -27.109      -4.357   4.01 0.214 0.625 0.267 2.931     206.420     320.000       7.796    7 
+     60000       12000.00      33.385     -24.330       9.055   2.28 0.286 0.556 0.217 1.350     302.881     320.000       7.483    7 
+     70000       14000.00      26.689     -34.676      -7.986   4.46 0.286 0.636 0.248 1.824     242.138     320.000       7.539    7 
+     80000       16000.00      28.532     -32.244      -3.712   4.42 0.214 0.769 0.364 1.270     258.855     320.000       6.972    7 
+     90000       18000.00      35.483      -8.194      27.289   4.94 0.071 0.875 0.386 3.375     321.919     320.000       8.616    7 
+    100000       20000.00      28.756      -5.302      23.454   4.40 0.143 0.714 0.357 2.100     260.891     320.000       7.854    7 
+    110000       22000.00      36.660      -7.632      29.028   5.19 0.071 0.750 0.193 2.150     332.598     340.000       8.973    7 
+    120000       24000.00      29.871      -1.176      28.695   8.05 0.000 1.000 0.227 1.779     271.003     340.000      10.838    7 
+    130000       26000.00      34.866     -14.211      20.655   3.61 0.143 0.600 0.309 1.230     316.318     340.000       8.181    7 
+    140000       28000.00      37.095       4.248      41.343   6.48 0.000   NaN   NaN 0.884     336.548     340.000      11.409    7 
+    150000       30000.00      30.627       8.250      38.877   6.88 0.000 1.000 0.273 1.600     277.862     340.000       9.089    7 
+    160000       32000.00      27.033     -18.244       8.789   4.95 0.214 0.571 0.292 1.470     245.260     340.000       8.146    7 
+    170000       34000.00      25.214      -8.428      16.786   5.04 0.214 0.571 0.318 1.280     228.755     340.000       7.511    7 
+    180000       36000.00      39.164      -8.723      30.441   4.79 0.071 0.667 0.258 3.061     355.312     340.000       8.670    7 
+    190000       38000.00      25.876      -4.427      21.449   5.94 0.000 1.000 0.500 1.827     234.764     340.000       8.663    7 
+    200000       40000.00      29.004      -9.382      19.622   6.17 0.071 0.833 0.341 1.627     263.144     340.000       8.002    7 
+    210000       42000.00      32.233       6.414      38.647   4.84 0.071 0.000 0.136 2.804     292.435     330.000       8.819    7 
+    220000       44000.00      27.837     -14.920      12.917   4.40 0.143 0.667 0.470 1.414     252.549     330.000       8.475    7 
+    230000       46000.00      30.035      -5.670      24.365   5.80 0.071 0.857 0.461 1.964     272.489     330.000       7.986    7 
+    240000       48000.00      31.381     -12.468      18.913   8.33 0.000 1.000 0.273 3.342     284.704     330.000      12.263    7 
+    250000       50000.00      41.218      -4.564      36.654   9.21 0.071 0.667 0.212 3.152     373.949     330.000      13.063    7 
+    260000       52000.00      39.094     -18.433      20.661   4.68 0.071 0.667 0.545 1.387     354.683     330.000       8.711    7 
+    270000       54000.00      36.881      -3.719      33.162   6.00 0.071 0.833 0.371 2.185     334.606     330.000       7.905    7 
+    280000       56000.00      29.977     -11.233      18.744   4.50 0.071 0.667 0.288 1.665     271.967     330.000       8.488    7 
+    290000       58000.00      43.986       3.890      47.876   8.31 0.071 0.500 0.136 4.219     399.064     330.000      12.328    7 
+    300000       60000.00      32.524     -13.011      19.513   4.54 0.143 0.500 0.295 2.406     295.077     330.000       8.811    7 
+    310000       62000.00      27.763      -1.545      26.218   5.15 0.071 0.667 0.561 1.961     251.880     330.000       7.948    7 
+    320000       64000.00      29.622     -15.039      14.583   5.76 0.214 0.500 0.235 2.046     268.743     330.000       7.770    7 
+    330000       66000.00      39.223     -26.972      12.251   5.18 0.357 0.583 0.284 0.651     355.853     330.000       7.182    7 
+    340000       68000.00      36.968     -17.647      19.320   7.30 0.214 0.625 0.227 1.372     335.390     330.000       7.310    7 
+    350000       70000.00      30.680     -22.316       8.365   4.30 0.143 0.333 0.152 1.797     278.348     330.000       8.191    7 
+    360000       72000.00      40.650     -17.007      23.644   4.13 0.214 0.700 0.332 1.889     368.801     330.000       8.075    7 
+    370000       74000.00      39.174     -20.790      18.383   4.41 0.143 0.600 0.264 1.601     355.402     330.000       7.459    7 
+    380000       76000.00      48.454      -9.929      38.525   4.14 0.143 0.750 0.244 1.978     439.599     330.000       7.364    7 
+    390000       78000.00      23.689     -10.235      13.453   4.79 0.143 0.667 0.379 1.558     214.915     330.000       7.573    7 
+    400000       80000.00      27.887      -0.992      26.896   8.36 0.000 1.000 0.258 2.213     253.007     330.000      11.255    7 
+    410000       82000.00      31.416      -6.905      24.512   5.36 0.071 0.500 0.159 1.389     285.026     370.000       9.464    7 
+    420000       84000.00      31.424     -15.596      15.828   5.93 0.143 0.667 0.379 2.091     285.092     370.000       8.022    7 
+    430000       86000.00      34.694      -8.325      26.368   5.67 0.143 0.714 0.344 1.192     314.759     370.000       7.483    7 
+    440000       88000.00      32.785      -1.356      31.430   5.61 0.000 1.000 0.318 1.600     297.447     370.000       8.001    7 
+    450000       90000.00      39.253      -4.040      35.213   7.60 0.000 1.000 0.227 1.809     356.121     370.000       9.439    7 
+    460000       92000.00      37.581      -5.173      32.407   8.44 0.000 1.000 0.227 1.259     340.952     370.000      11.992    7 
+    470000       94000.00      35.347      -3.434      31.912   5.24 0.000 1.000 0.409 2.377     320.683     370.000      10.019    7 
+    480000       96000.00      32.386      -5.697      26.689   5.04 0.071 0.500 0.159 2.995     293.826     370.000       9.165    7 
+    490000       98000.00      38.720       0.988      39.709   5.37 0.143 0.500 0.273 3.024     351.292     370.000       8.117    7 
+    500000      100000.00      37.613      -2.921      34.691   8.48 0.000   NaN   NaN 2.146     341.242     370.000      12.668    7 
+    510000      102000.00      46.931      -1.099      45.832   5.95 0.000 1.000 0.545 1.688     425.779     360.000      10.139    7 
+    520000      104000.00      45.477      -9.073      36.405   5.44 0.143 0.667 0.235 2.920     412.595     360.000       7.659    7 
+    530000      106000.00      31.633      -6.395      25.237   9.22 0.000 1.000 0.227 2.602     286.990     360.000      12.753    7 
+    540000      108000.00      36.160       0.731      36.891   6.88 0.000   NaN   NaN 2.506     328.062     360.000       9.877    7 
+    550000      110000.00      32.081     -11.723      20.358   5.15 0.071 0.000 0.136 1.489     291.054     360.000       8.499    7 
+    560000      112000.00      29.298       1.766      31.064   9.09 0.071 0.500 0.205 2.955     265.806     360.000      11.057    7 
+    570000      114000.00      34.800       1.143      35.943   6.72 0.071 0.500 0.182 2.232     315.725     360.000      11.445    7 
+    580000      116000.00      36.815      -4.574      32.241   9.19 0.071 0.500 0.159 2.464     334.004     360.000      12.148    7 
+    590000      118000.00      36.505      -3.261      33.244   6.69 0.071 0.800 0.445 2.239     331.195     360.000       9.065    7 
+    600000      120000.00      47.133      -6.235      40.898   9.88 0.000   NaN   NaN 2.816     427.616     360.000      13.368    7 
+    610000      122000.00      37.800     -10.527      27.272   6.94 0.000 1.000 0.205 2.033     342.938     350.000      10.310    7 
+    620000      124000.00      28.554      -2.969      25.584   6.48 0.000 1.000 0.530 0.985     259.054     350.000      10.061    7 
+    630000      126000.00      32.892      -3.299      29.593   8.66 0.071 0.750 0.148 4.838     298.412     350.000      12.441    7 
+    640000      128000.00      33.797     -11.996      21.801   5.99 0.071 0.500 0.205 1.588     306.624     350.000       8.895    7 
+    650000      130000.00      42.428      -2.245      40.183   4.64 0.071 0.857 0.357 2.720     384.932     350.000       8.086    7 
+    660000      132000.00      36.240       4.596      40.836   8.79 0.071 0.000 0.136 4.718     328.787     350.000      13.248    7 
+    670000      134000.00      35.166       0.727      35.893   5.27 0.071 0.750 0.466 2.502     319.041     350.000       8.873    7 
+    680000      136000.00      34.946      -9.179      25.767   6.04 0.071 0.889 0.439 1.507     317.046     350.000       7.606    7 
+    690000      138000.00      38.246       5.316      43.562   8.72 0.000 1.000 0.236 2.454     346.984     350.000      10.416    7 
+    700000      140000.00      32.344       2.662      35.005   6.07 0.071 0.000 0.136 1.901     293.437     350.000       8.941    7 
+    710000      142000.00      37.547     -15.807      21.740   4.93 0.071 0.750 0.284 1.653     340.647     340.000       7.529    7 
+    720000      144000.00      32.365      -9.455      22.910   4.43 0.000 1.000 0.409 2.890     293.636     340.000       9.042    7 
+    730000      146000.00      37.386     -13.591      23.795   4.39 0.143 0.500 0.295 1.610     339.182     340.000       8.373    7 
+    740000      148000.00      38.443       1.497      39.940  10.16 0.071 0.500 0.159 2.836     348.771     340.000      13.732    7 
+    750000      150000.00      27.636     -11.644      15.992   6.36 0.214 0.400 0.182 2.370     250.727     340.000       9.249    7 
+    760000      152000.00      34.475      -6.013      28.462   5.24 0.000 1.000 0.250 1.025     312.777     340.000       8.349    7 
+    770000      154000.00      28.424     -10.736      17.688   6.41 0.143 0.750 0.415 2.165     257.877     340.000       7.443    7 
+    780000      156000.00      35.350      -9.035      26.316   7.09 0.071 0.750 0.193 1.777     320.716     340.000      11.133    7 
+    790000      158000.00      24.596      -9.736      14.859  11.06 0.071 0.500 0.136 1.911     223.147     340.000      14.715    7 
+    800000      160000.00      36.301      -3.851      32.450   5.69 0.071 0.500 0.182 1.462     329.338     340.000       9.454    7 
+    810000      162000.00      30.919      -9.353      21.566   9.32 0.000 1.000 0.182 1.917     280.517     330.000      11.699    7 
+    820000      164000.00      36.629      -7.399      29.230   7.73 0.071 0.667 0.227 2.447     332.322     330.000      11.780    7 
+    830000      166000.00      30.484     -14.207      16.278   5.40 0.143 0.333 0.303 1.125     276.571     330.000       8.264    7 
+    840000      168000.00      39.678     -15.223      24.455  10.19 0.000 1.000 0.250 2.161     359.979     330.000      13.234    7 
+    850000      170000.00      32.874      -7.141      25.733   6.06 0.071 0.500 0.318 0.941     298.251     330.000       8.994    7 
+    860000      172000.00      33.510      -9.530      23.980   7.55 0.000 1.000 0.182 1.583     304.018     330.000      10.189    7 
+    870000      174000.00      35.438      -9.725      25.713   6.61 0.071 0.750 0.193 3.594     321.509     330.000       8.455    7 
+    880000      176000.00      33.972      -5.474      28.499   5.24 0.143 0.778 0.354 3.358     308.213     330.000       7.446    7 
+    890000      178000.00      28.584      -4.584      24.001  10.36 0.000 1.000 0.182 1.353     259.330     330.000      14.290    7 
+    900000      180000.00      36.891     -11.715      25.176   4.39 0.143 0.818 0.256 1.769     334.691     330.000       8.297    7 
+    910000      182000.00      35.306     -10.753      24.553   9.64 0.286 0.200 0.173 1.964     320.316     330.000      12.044    7 
+    920000      184000.00      30.066     -24.484       5.582   5.08 0.143 0.714 0.344 2.276     272.771     330.000       7.614    7 
+    930000      186000.00      24.292     -16.580       7.712   5.57 0.071 0.833 0.583 1.221     220.392     330.000       8.325    7 
+    940000      188000.00      29.332     -21.868       7.464   8.75 0.143 0.000 0.136 2.722     266.114     330.000      12.253    7 
+    950000      190000.00      31.095     -17.786      13.309   4.93 0.143 0.600 0.409 2.479     282.110     330.000       7.301    7 
+    960000      192000.00      28.859      -2.128      26.731   6.32 0.071 0.500 0.227 1.468     261.820     330.000      10.666    7 
+    970000      194000.00      21.383      -9.309      12.075   5.24 0.143 0.500 0.386 1.154     194.001     330.000       9.082    7 
+    980000      196000.00      28.414      -2.483      25.931   5.82 0.143 0.714 0.234 3.351     257.786     330.000       7.789    7 
+    990000      198000.00      29.718      -1.560      28.157  10.53 0.143 0.500 0.170 1.704     269.615     330.000      13.282    7 
+   1000000      200000.00      33.444       0.810      34.254  12.00 0.143 0.333 0.152 3.445     303.417     330.000      15.168    7 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB008.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB008.stat
index 9362580..0b1d9f1 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB008.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB008.stat
@@ -1,101 +1,101 @@
          0           0.00      38.701      24.668      63.369  12.87 0.000   NaN   NaN 0.706     351.119     330.000      15.552    8 
-     10000        2000.00      32.240     -12.853      19.387   4.65 0.071 0.833 0.295 2.344     292.496     330.000       8.565    8 
-     20000        4000.00      29.328     -15.752      13.576   4.74 0.214 0.400 0.173 0.675     266.080     330.000       8.676    8 
-     30000        6000.00      30.038      -6.114      23.924   4.40 0.143 0.500 0.477 1.419     272.522     330.000       7.601    8 
-     40000        8000.00      40.609     -15.478      25.131   4.32 0.071 0.667 0.364 0.734     368.422     330.000       7.904    8 
-     50000       10000.00      32.023      -8.221      23.802  11.65 0.071 0.000 0.182 0.990     290.533     330.000      15.355    8 
-     60000       12000.00      31.366      -1.140      30.225   7.32 0.000 1.000 0.159 1.283     284.565     330.000       9.689    8 
-     70000       14000.00      25.463     -13.614      11.850   5.18 0.143 0.667 0.538 1.748     231.017     330.000       7.779    8 
-     80000       16000.00      32.410      -3.531      28.880   5.98 0.000 1.000 0.205 2.303     294.045     330.000       9.881    8 
-     90000       18000.00      29.740      -7.674      22.066   5.84 0.000 1.000 0.500 1.422     269.813     330.000       9.186    8 
-    100000       20000.00      30.586     -11.327      19.259   6.69 0.214 0.625 0.210 1.861     277.492     330.000       8.230    8 
-    110000       22000.00      31.086     -23.244       7.842   4.74 0.286 0.429 0.344 1.462     282.026     320.000       9.411    8 
-    120000       24000.00      26.123     -12.456      13.667   5.12 0.214 0.500 0.273 1.972     237.002     320.000       8.488    8 
-    130000       26000.00      28.978      -7.437      21.541   6.29 0.214 0.667 0.359 1.349     262.903     320.000       7.884    8 
-    140000       28000.00      32.192     -12.564      19.628   5.11 0.071 0.800 0.309 2.957     292.061     320.000       8.470    8 
-    150000       30000.00      28.378     -12.475      15.904   6.99 0.143 0.333 0.136 1.750     257.464     320.000      11.422    8 
-    160000       32000.00      25.992     -19.699       6.293   3.78 0.143 0.500 0.170 1.810     235.817     320.000       8.274    8 
-    170000       34000.00      34.088     -17.439      16.649   5.26 0.214 0.625 0.244 2.531     309.268     320.000       7.379    8 
-    180000       36000.00      27.494     -11.170      16.323   5.62 0.000 1.000 0.318 1.036     249.438     320.000       8.402    8 
-    190000       38000.00      40.195     -21.526      18.669   4.13 0.357 0.286 0.292 1.836     364.670     320.000       7.783    8 
-    200000       40000.00      33.583     -31.131       2.453   4.33 0.357 0.500 0.200 1.149     304.684     320.000       7.870    8 
-    210000       42000.00      28.425     -30.032      -1.607   4.42 0.214 0.700 0.409 1.264     257.889     310.000       7.077    8 
-    220000       44000.00      28.657     -16.677      11.980   5.90 0.286 0.500 0.170 1.597     259.994     310.000       8.676    8 
-    230000       46000.00      26.230     -21.857       4.373   4.53 0.143 0.600 0.218 1.530     237.975     310.000       8.368    8 
-    240000       48000.00      35.120     -32.448       2.672   4.41 0.214 0.571 0.240 2.657     318.630     310.000       7.426    8 
-    250000       50000.00      29.021     -14.114      14.907   4.81 0.214 0.400 0.164 0.622     263.293     310.000       8.049    8 
-    260000       52000.00      38.893     -20.100      18.794   6.53 0.143 0.750 0.199 1.189     352.859     310.000       8.120    8 
-    270000       54000.00      24.831     -20.777       4.054   4.42 0.214 0.400 0.200 1.563     225.280     310.000       7.802    8 
-    280000       56000.00      25.310     -45.165     -19.855   2.88 0.286 0.600 0.318 0.803     229.623     310.000       7.208    8 
-    290000       58000.00      31.461     -13.260      18.201   7.07 0.143 0.500 0.148 1.268     285.428     310.000      10.822    8 
-    300000       60000.00      32.802     -22.376      10.426   6.75 0.143 0.714 0.214 1.830     297.597     310.000       7.998    8 
-    310000       62000.00      28.595     -35.991      -7.396   3.02 0.286 0.692 0.371 0.874     259.426     300.000       6.903    8 
-    320000       64000.00      27.759     -29.991      -2.232   8.00 0.214 0.400 0.164 1.100     251.846     300.000      11.877    8 
-    330000       66000.00      31.076     -21.435       9.641   7.56 0.071 0.875 0.182 0.869     281.934     300.000       9.516    8 
-    340000       68000.00      34.466     -26.474       7.992   2.60 0.214 0.571 0.364 1.783     312.690     300.000       7.032    8 
-    350000       70000.00      28.526     -25.184       3.342   3.22 0.214 0.700 0.323 1.952     258.801     300.000       6.966    8 
-    360000       72000.00      42.336     -20.809      21.527   7.50 0.214 0.571 0.169 1.469     384.096     300.000       9.529    8 
-    370000       74000.00      29.670     -33.355      -3.685   5.80 0.214 0.500 0.167 2.336     269.184     300.000       8.782    8 
-    380000       76000.00      26.854     -28.822      -1.968   5.21 0.143 0.750 0.438 3.280     243.636     300.000       7.471    8 
-    390000       78000.00      32.105     -28.767       3.338   5.60 0.071 0.917 0.379 1.623     291.269     300.000       6.477    8 
-    400000       80000.00      31.049     -15.504      15.545   5.88 0.071 0.889 0.268 3.166     281.689     300.000       7.681    8 
-    410000       82000.00      30.207     -24.405       5.803   5.88 0.071 0.875 0.409 1.820     274.055     310.000       7.687    8 
-    420000       84000.00      31.834     -16.951      14.882   5.53 0.143 0.818 0.455 2.156     288.814     310.000       6.809    8 
-    430000       86000.00      30.849     -23.683       7.166   4.87 0.143 0.714 0.240 1.775     279.879     310.000       7.077    8 
-    440000       88000.00      24.610      -8.400      16.210   5.77 0.000 1.000 0.455 1.222     223.278     310.000       8.408    8 
-    450000       90000.00      36.662     -27.445       9.217   5.14 0.214 0.727 0.368 1.410     332.616     310.000       7.106    8 
-    460000       92000.00      26.797     -10.576      16.221   7.08 0.143 0.667 0.258 2.479     243.116     310.000       9.508    8 
-    470000       94000.00      29.955     -23.777       6.178   6.09 0.071 0.857 0.182 2.713     271.770     310.000       9.511    8 
-    480000       96000.00      37.059     -16.838      20.221   6.78 0.214 0.571 0.208 3.298     336.215     310.000       8.001    8 
-    490000       98000.00      34.054     -32.617       1.437   6.66 0.071 0.857 0.325 2.152     308.954     310.000       6.886    8 
-    500000      100000.00      30.904     -28.939       1.965   4.03 0.357 0.375 0.347 2.025     280.378     310.000       7.654    8 
-    510000      102000.00      30.260     -33.656      -3.397   4.61 0.143 0.714 0.247 1.293     274.530     300.000       7.359    8 
-    520000      104000.00      33.038     -24.060       8.979   5.89 0.214 0.727 0.409 1.410     299.742     300.000       6.910    8 
-    530000      106000.00      26.884     -23.339       3.545   4.59 0.286 0.714 0.383 1.673     243.905     300.000       7.170    8 
-    540000      108000.00      40.636     -18.566      22.069   4.43 0.214 0.667 0.237 2.491     368.668     300.000       7.633    8 
-    550000      110000.00      25.350     -30.067      -4.717   4.08 0.286 0.556 0.232 2.745     229.985     300.000       7.234    8 
-    560000      112000.00      25.039     -28.707      -3.668   4.27 0.286 0.556 0.354 1.839     227.166     300.000       7.593    8 
-    570000      114000.00      27.056     -44.210     -17.155   4.10 0.143 0.800 0.341 1.085     245.463     300.000       6.850    8 
-    580000      116000.00      26.415     -28.240      -1.825   3.74 0.143 0.714 0.273 3.725     239.652     300.000       7.237    8 
-    590000      118000.00      29.553     -19.110      10.443   4.88 0.000 1.000 0.424 1.743     268.120     300.000       6.871    8 
-    600000      120000.00      32.484     -28.192       4.293   4.40 0.214 0.571 0.364 2.052     294.714     300.000       7.819    8 
-    610000      122000.00      28.385      -3.453      24.933   6.69 0.286 0.333 0.182 2.772     257.527     300.000       8.769    8 
-    620000      124000.00      27.013     -13.997      13.016   5.48 0.143 0.667 0.538 2.283     245.075     300.000       7.536    8 
-    630000      126000.00      26.971     -30.688      -3.717   5.44 0.143 0.800 0.282 1.573     244.691     300.000       7.251    8 
-    640000      128000.00      25.969     -14.266      11.703   4.91 0.071 0.750 0.443 1.172     235.602     300.000       7.987    8 
-    650000      130000.00      34.575     -25.477       9.098   4.23 0.214 0.667 0.384 2.469     313.678     300.000       7.287    8 
-    660000      132000.00      30.727     -25.666       5.061   4.97 0.214 0.400 0.209 0.977     278.773     300.000       8.133    8 
-    670000      134000.00      26.232     -23.593       2.638   4.42 0.286 0.500 0.341 1.822     237.987     300.000       7.036    8 
-    680000      136000.00      29.462     -38.940      -9.477   4.50 0.286 0.636 0.372 3.012     267.299     300.000       7.256    8 
-    690000      138000.00      33.994     -34.823      -0.829   4.21 0.357 0.500 0.300 1.019     308.409     300.000       7.581    8 
-    700000      140000.00      30.417     -23.234       7.183   4.88 0.214 0.571 0.247 1.408     275.957     300.000       7.888    8 
-    710000      142000.00      28.479     -26.259       2.220   8.14 0.143 0.600 0.182 1.200     258.378     320.000      11.985    8 
-    720000      144000.00      31.657      -8.448      23.210   9.84 0.214 0.250 0.159 3.017     287.212     320.000      12.133    8 
-    730000      146000.00      36.332     -27.743       8.588   6.16 0.214 0.769 0.346 0.965     329.621     320.000       7.293    8 
-    740000      148000.00      29.310     -16.673      12.637   5.95 0.143 0.500 0.159 2.345     265.915     320.000       9.102    8 
-    750000      150000.00      32.085      -2.069      30.016   8.85 0.214 0.500 0.159 2.052     291.093     320.000      11.566    8 
-    760000      152000.00      30.105     -11.315      18.790   5.95 0.000 1.000 0.424 1.514     273.131     320.000       9.195    8 
-    770000      154000.00      32.672      -8.919      23.753   4.65 0.071 0.667 0.561 1.231     296.419     320.000       8.188    8 
-    780000      156000.00      29.730     -31.445      -1.715   3.20 0.286 0.667 0.345 0.989     269.729     320.000       7.137    8 
-    790000      158000.00      30.160     -14.463      15.696   4.86 0.214 0.500 0.250 1.574     273.623     320.000       7.796    8 
-    800000      160000.00      27.766     -17.208      10.558   5.35 0.071 0.875 0.426 1.341     251.906     320.000       7.712    8 
-    810000      162000.00      31.538      -3.325      28.213   7.99 0.071 0.000 0.182 1.932     286.131     340.000      12.148    8 
-    820000      164000.00      36.084      -1.029      35.055   6.61 0.071 0.875 0.409 2.096     327.374     340.000       7.540    8 
-    830000      166000.00      26.517     -16.089      10.428   5.05 0.000 1.000 0.511 1.763     240.580     340.000       9.000    8 
-    840000      168000.00      29.844       7.963      37.806   6.07 0.071 0.800 0.464 2.297     270.757     340.000       8.434    8 
-    850000      170000.00      40.839     -15.298      25.541   5.61 0.071 0.857 0.396 1.271     370.512     340.000       7.437    8 
-    860000      172000.00      31.742       5.662      37.404   8.19 0.071 0.000 0.182 1.493     287.979     340.000      12.352    8 
-    870000      174000.00      32.863      -0.549      32.314   6.45 0.071 0.667 0.212 2.114     298.147     340.000       9.962    8 
-    880000      176000.00      33.659     -16.308      17.351   4.46 0.143 0.778 0.328 2.381     305.373     340.000       7.242    8 
-    890000      178000.00      33.864      -2.732      31.132   4.15 0.071 0.833 0.273 3.095     307.228     340.000       8.001    8 
-    900000      180000.00      28.915     -17.909      11.006   5.44 0.071 0.750 0.432 2.157     262.332     340.000       9.157    8 
-    910000      182000.00      34.537     -23.712      10.825   3.73 0.357 0.643 0.289 1.506     313.339     330.000       7.604    8 
-    920000      184000.00      31.711     -11.951      19.760   9.69 0.071 0.500 0.159 1.438     287.701     330.000      12.504    8 
-    930000      186000.00      26.661      -6.061      20.600   3.96 0.071 0.667 0.591 1.889     241.879     330.000       8.684    8 
-    940000      188000.00      29.777      -4.004      25.774   4.38 0.071 0.833 0.492 2.628     270.157     330.000       8.642    8 
-    950000      190000.00      27.861      -7.315      20.546   5.83 0.214 0.571 0.299 2.365     252.767     330.000       8.242    8 
-    960000      192000.00      27.102     -22.822       4.280   5.78 0.143 0.714 0.344 1.367     245.887     330.000       7.080    8 
-    970000      194000.00      35.424     -26.462       8.963   5.85 0.143 0.750 0.324 1.857     321.387     330.000       7.326    8 
-    980000      196000.00      28.854     -20.905       7.949   4.27 0.143 0.600 0.218 1.278     261.777     330.000       8.543    8 
-    990000      198000.00      38.034     -19.172      18.862   5.24 0.143 0.800 0.445 1.469     345.061     330.000       7.191    8 
-   1000000      200000.00      37.698      -8.586      29.112   4.79 0.071 0.000 0.136 2.988     342.015     330.000       9.112    8 
+     10000        2000.00      34.783      -4.880      29.903   4.76 0.071 0.000 0.182 1.022     315.571     330.000       9.770    8 
+     20000        4000.00      27.613     -10.209      17.404   6.60 0.000 1.000 0.182 2.448     250.524     330.000       8.694    8 
+     30000        6000.00      33.985     -15.790      18.195   7.22 0.143 0.600 0.218 1.412     308.331     330.000      10.795    8 
+     40000        8000.00      35.717     -12.518      23.198   5.85 0.143 0.500 0.591 2.540     324.039     330.000       7.407    8 
+     50000       10000.00      35.462     -12.854      22.608  10.75 0.286 0.000 0.148 0.647     321.733     330.000      14.444    8 
+     60000       12000.00      29.741      -5.063      24.677   5.28 0.143 0.778 0.328 0.831     269.824     330.000       8.657    8 
+     70000       14000.00      30.051     -10.519      19.533   5.62 0.000 1.000 0.439 1.051     272.642     330.000       7.505    8 
+     80000       16000.00      33.353      -4.937      28.415   5.24 0.071 0.667 0.152 1.511     302.594     330.000       9.504    8 
+     90000       18000.00      31.505      -1.919      29.586   9.81 0.143 0.500 0.148 1.093     285.830     330.000      13.217    8 
+    100000       20000.00      32.794      -3.329      29.465   4.47 0.214 0.667 0.247 2.322     297.525     330.000       7.303    8 
+    110000       22000.00      30.810     -26.207       4.603   4.41 0.071 0.857 0.377 1.063     279.524     320.000       7.639    8 
+    120000       24000.00      27.716     -28.166      -0.451   5.78 0.286 0.750 0.366 1.245     251.450     320.000       7.564    8 
+    130000       26000.00      32.029      -5.051      26.978   5.72 0.143 0.778 0.465 1.510     290.585     320.000       6.850    8 
+    140000       28000.00      31.039     -32.849      -1.810   3.51 0.357 0.643 0.403 2.209     281.597     320.000       6.487    8 
+    150000       30000.00      25.900     -14.363      11.537   8.06 0.143 0.333 0.152 3.493     234.981     320.000      12.558    8 
+    160000       32000.00      30.670     -13.032      17.638  10.43 0.214 0.000 0.152 1.398     278.251     320.000      13.413    8 
+    170000       34000.00      40.387     -14.892      25.495   7.66 0.000 1.000 0.209 1.358     366.408     320.000      10.933    8 
+    180000       36000.00      29.576     -20.235       9.341   3.87 0.286 0.556 0.323 1.890     268.328     320.000       7.751    8 
+    190000       38000.00      34.927      -2.740      32.186   8.37 0.286 0.333 0.174 2.219     316.875     320.000      11.054    8 
+    200000       40000.00      37.682      -3.416      34.266   7.42 0.000   NaN   NaN 1.014     341.871     320.000      12.477    8 
+    210000       42000.00      29.885      -0.386      29.499   8.11 0.000 1.000 0.273 1.973     271.132     350.000       9.481    8 
+    220000       44000.00      33.082      -1.890      31.193   7.67 0.143 0.333 0.152 2.899     300.138     350.000       9.950    8 
+    230000       46000.00      31.404       3.175      34.580   7.19 0.000 1.000 0.136 1.912     284.917     350.000      10.555    8 
+    240000       48000.00      32.688       4.975      37.663   6.20 0.000 1.000 0.500 1.657     296.564     350.000       9.700    8 
+    250000       50000.00      29.652     -12.158      17.494   5.13 0.071 0.800 0.318 1.817     269.018     350.000       8.330    8 
+    260000       52000.00      46.006     -12.866      33.140   6.61 0.143 0.500 0.227 1.920     417.387     350.000       8.466    8 
+    270000       54000.00      30.220     -13.910      16.311   5.50 0.143 0.750 0.369 1.798     274.174     350.000       7.926    8 
+    280000       56000.00      33.747     -12.163      21.584   4.73 0.000 1.000 0.300 1.318     306.171     350.000       7.142    8 
+    290000       58000.00      34.984     -12.539      22.445   9.32 0.214 0.000 0.152 2.000     317.389     350.000      13.170    8 
+    300000       60000.00      38.561     -14.528      24.032   5.45 0.357 0.375 0.307 3.241     349.841     350.000       7.913    8 
+    310000       62000.00      30.575     -11.204      19.371   6.70 0.143 0.667 0.394 1.843     277.395     340.000       7.093    8 
+    320000       64000.00      33.546     -15.303      18.243   5.74 0.000 1.000 0.318 1.570     304.344     340.000       9.551    8 
+    330000       66000.00      31.775     -17.711      14.064   5.28 0.071 0.889 0.520 0.928     288.277     340.000       7.047    8 
+    340000       68000.00      31.658       4.636      36.294   8.04 0.000 1.000 0.182 2.444     287.216     340.000      12.652    8 
+    350000       70000.00      34.377      -0.142      34.235   6.52 0.071 0.833 0.295 1.755     311.884     340.000       9.810    8 
+    360000       72000.00      44.220     -12.029      32.192   6.24 0.143 0.500 0.170 1.758     401.191     340.000       9.583    8 
+    370000       74000.00      30.784     -11.011      19.772   5.69 0.143 0.667 0.311 1.197     279.285     340.000       8.028    8 
+    380000       76000.00      30.560      -9.682      20.878   5.18 0.071 0.857 0.448 2.543     277.259     340.000       9.127    8 
+    390000       78000.00      35.401      -9.256      26.145   5.17 0.071 0.857 0.338 0.952     321.179     340.000       7.580    8 
+    400000       80000.00      41.238     -11.732      29.507   7.28 0.000 1.000 0.227 1.789     374.134     340.000       9.506    8 
+    410000       82000.00      35.834     -19.798      16.036   8.59 0.214 0.500 0.174 0.965     325.108     330.000      10.526    8 
+    420000       84000.00      35.349      -5.721      29.627   6.45 0.071 0.667 0.227 1.331     320.701     330.000      10.043    8 
+    430000       86000.00      33.976      -6.625      27.352   7.86 0.071 0.500 0.159 1.316     308.252     330.000      11.245    8 
+    440000       88000.00      26.004     -14.376      11.627   5.44 0.000 1.000 0.324 1.472     235.920     330.000       7.342    8 
+    450000       90000.00      34.896      -4.786      30.110   7.24 0.071 0.857 0.305 1.546     316.595     330.000       7.864    8 
+    460000       92000.00      31.729     -15.229      16.499   5.77 0.143 0.714 0.338 2.875     287.858     330.000       8.589    8 
+    470000       94000.00      30.682      -5.280      25.403   6.30 0.000 1.000 0.258 1.548     278.366     330.000       9.896    8 
+    480000       96000.00      32.447      -3.789      28.658   7.41 0.071 0.500 0.250 2.683     294.374     330.000      11.535    8 
+    490000       98000.00      33.606     -12.954      20.652   6.08 0.000 1.000 0.391 2.111     304.889     330.000       7.711    8 
+    500000      100000.00      34.681     -12.812      21.869   8.23 0.071 0.500 0.136 1.665     314.642     330.000      11.002    8 
+    510000      102000.00      26.786      -2.388      24.397   5.87 0.071 0.000 0.136 2.013     243.012     320.000       8.903    8 
+    520000      104000.00      38.240     -20.266      17.973   5.42 0.000 1.000 0.273 2.029     346.929     320.000       9.688    8 
+    530000      106000.00      33.036     -28.055       4.981   5.12 0.143 0.750 0.227 2.030     299.718     320.000       6.947    8 
+    540000      108000.00      35.874     -17.366      18.509   6.19 0.143 0.750 0.295 2.127     325.472     320.000       7.125    8 
+    550000      110000.00      26.112       1.019      27.131   9.79 0.143 0.000 0.159 1.714     236.901     320.000      12.424    8 
+    560000      112000.00      30.190     -12.998      17.192   5.01 0.000 1.000 0.227 1.636     273.901     320.000       8.990    8 
+    570000      114000.00      28.207      -8.546      19.661   6.57 0.143 0.667 0.295 0.896     255.905     320.000       7.103    8 
+    580000      116000.00      30.376     -13.693      16.683   6.45 0.071 0.833 0.364 1.652     275.589     320.000       7.568    8 
+    590000      118000.00      28.336     -11.128      17.209   5.25 0.214 0.727 0.467 1.336     257.082     320.000       6.893    8 
+    600000      120000.00      34.591     -15.076      19.515   5.83 0.286 0.556 0.364 2.338     313.829     320.000       7.945    8 
+    610000      122000.00      30.524      -7.471      23.053   5.85 0.214 0.667 0.485 2.536     276.928     340.000       8.033    8 
+    620000      124000.00      28.069      -7.439      20.629   5.26 0.071 0.000 0.136 2.182     254.652     340.000       9.137    8 
+    630000      126000.00      27.548      -1.752      25.797   7.33 0.000 1.000 0.182 1.831     249.931     340.000       9.407    8 
+    640000      128000.00      30.723       1.494      32.217   5.63 0.214 0.250 0.443 1.611     278.736     340.000       7.362    8 
+    650000      130000.00      35.657     -21.581      14.076   6.58 0.071 0.667 0.227 1.673     323.494     340.000       8.877    8 
+    660000      132000.00      32.694     -17.568      15.126   4.79 0.143 0.818 0.302 2.062     296.614     340.000       7.960    8 
+    670000      134000.00      29.890     -33.598      -3.708   4.31 0.357 0.583 0.352 1.083     271.181     340.000       6.824    8 
+    680000      136000.00      34.385     -16.520      17.865   5.73 0.214 0.625 0.398 3.083     311.960     340.000       8.462    8 
+    690000      138000.00      36.270     -20.519      15.751   8.26 0.071 0.500 0.250 1.804     329.061     340.000       9.352    8 
+    700000      140000.00      33.052      -3.222      29.830   6.18 0.071 0.500 0.205 1.411     299.866     340.000       8.951    8 
+    710000      142000.00      31.343      11.016      42.360  11.29 0.071 0.000 0.136 4.824     284.364     390.000      14.671    8 
+    720000      144000.00      40.232      -4.852      35.380   7.84 0.071 0.000 0.182 1.709     365.001     390.000      11.275    8 
+    730000      146000.00      48.172      -4.158      44.014   8.92 0.071 0.000 0.136 1.291     437.045     390.000      13.177    8 
+    740000      148000.00      33.427       4.674      38.101  11.31 0.000   NaN   NaN 3.520     303.269     390.000      15.229    8 
+    750000      150000.00      39.131       7.553      46.684   9.49 0.071 0.000 0.136 1.348     355.016     390.000      13.330    8 
+    760000      152000.00      34.611       4.702      39.314  11.56 0.000   NaN   NaN 2.111     314.012     390.000      15.771    8 
+    770000      154000.00      42.563       3.598      46.161   9.67 0.143 0.000 0.159 1.403     386.151     390.000      14.207    8 
+    780000      156000.00      35.245      -7.275      27.970   5.81 0.000 1.000 0.500 2.984     319.761     390.000       8.935    8 
+    790000      158000.00      44.249       6.754      51.003   7.01 0.071 0.000 0.182 1.700     401.454     390.000      10.999    8 
+    800000      160000.00      33.465      -1.264      32.201   5.91 0.000 1.000 0.515 4.922     303.611     390.000       8.732    8 
+    810000      162000.00      34.767       2.924      37.691   7.53 0.071 0.750 0.295 2.948     315.424     380.000      10.928    8 
+    820000      164000.00      41.753       4.991      46.744  13.51 0.071 0.000 0.136 3.497     378.806     380.000      16.313    8 
+    830000      166000.00      33.348      -4.240      29.108   4.96 0.071 0.667 0.318 2.135     302.550     380.000       8.902    8 
+    840000      168000.00      41.494      -3.341      38.153   7.09 0.071 0.667 0.152 2.186     376.455     380.000      10.585    8 
+    850000      170000.00      45.407       1.965      47.372   7.69 0.000   NaN   NaN 1.215     411.958     380.000      12.889    8 
+    860000      172000.00      35.576       3.945      39.521   5.26 0.000 1.000 0.318 2.080     322.765     380.000       8.056    8 
+    870000      174000.00      34.557       8.197      42.754   6.69 0.000 1.000 0.470 1.885     313.520     380.000       7.865    8 
+    880000      176000.00      33.440     -12.127      21.313   5.29 0.143 0.750 0.375 2.880     303.384     380.000       7.522    8 
+    890000      178000.00      41.605       6.681      48.286   6.75 0.071 0.857 0.325 2.603     377.461     380.000       8.429    8 
+    900000      180000.00      30.650      -3.313      27.336  10.58 0.071 0.500 0.205 1.109     278.068     380.000      14.120    8 
+    910000      182000.00      31.257      21.242      52.499   6.96 0.000 1.000 0.341 1.944     283.578     370.000       9.612    8 
+    920000      184000.00      37.358     -12.672      24.686   6.73 0.071 0.500 0.182 2.453     338.930     370.000       8.439    8 
+    930000      186000.00      30.301      -0.982      29.320   8.92 0.000 1.000 0.212 3.461     274.911     370.000      11.079    8 
+    940000      188000.00      28.271       1.718      29.988   6.82 0.071 0.000 0.136 2.818     256.486     370.000      10.561    8 
+    950000      190000.00      39.131      -6.857      32.274   5.30 0.000 1.000 0.409 2.605     355.015     370.000       8.527    8 
+    960000      192000.00      28.498      -7.093      21.405   9.51 0.143 0.000 0.159 1.120     258.553     370.000      13.213    8 
+    970000      194000.00      38.606      11.850      50.455   9.36 0.000   NaN   NaN 1.715     350.250     370.000      12.018    8 
+    980000      196000.00      41.827      -3.758      38.069   6.61 0.000 1.000 0.318 1.373     379.477     370.000       9.436    8 
+    990000      198000.00      47.168       5.376      52.544   5.86 0.071 0.750 0.295 1.945     427.936     370.000       9.517    8 
+   1000000      200000.00      39.696       6.760      46.456   4.73 0.071 0.800 0.327 2.260     360.144     370.000       8.626    8 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB009.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB009.stat
index 101258b..ca6b474 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB009.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB009.stat
@@ -1,101 +1,101 @@
          0           0.00      30.936      24.626      55.562  12.87 0.000   NaN   NaN 0.706     280.667     340.000      15.552    9 
-     10000        2000.00      34.554     -13.956      20.598   7.45 0.000 1.000 0.205 1.062     313.496     340.000      11.581    9 
-     20000        4000.00      23.521      -9.931      13.589   5.00 0.214 0.700 0.332 1.163     213.390     340.000       7.168    9 
-     30000        6000.00      36.680      -4.025      32.655   4.40 0.071 0.667 0.697 1.265     332.781     340.000       8.451    9 
-     40000        8000.00      29.702     -21.595       8.107   3.79 0.214 0.571 0.409 2.018     269.473     340.000       7.579    9 
-     50000       10000.00      29.944     -18.422      11.522   4.13 0.143 0.667 0.159 1.011     271.664     340.000       8.636    9 
-     60000       12000.00      32.869     -20.863      12.006   5.27 0.143 0.600 0.336 1.017     298.205     340.000       8.544    9 
-     70000       14000.00      31.927     -15.938      15.989   8.37 0.071 0.667 0.182 1.798     289.654     340.000      10.120    9 
-     80000       16000.00      29.023      -6.414      22.609   7.58 0.071 0.667 0.242 1.600     263.311     340.000      11.106    9 
-     90000       18000.00      25.835     -11.949      13.886   6.79 0.000 1.000 0.273 3.257     234.386     340.000      11.124    9 
-    100000       20000.00      34.693      -6.085      28.608   6.99 0.143 0.333 0.303 1.425     314.755     340.000       9.145    9 
-    110000       22000.00      37.958     -14.321      23.638   6.20 0.143 0.500 0.182 1.310     344.379     330.000       9.268    9 
-    120000       24000.00      38.768      -3.785      34.983   7.45 0.071 0.500 0.136 2.088     351.723     330.000      10.050    9 
-    130000       26000.00      26.547     -14.528      12.018   5.69 0.071 0.857 0.519 1.227     240.845     330.000       7.514    9 
-    140000       28000.00      35.591     -11.232      24.359   6.33 0.000 1.000 0.364 2.228     322.901     330.000      10.135    9 
-    150000       30000.00      22.468     -24.765      -2.297   5.29 0.143 0.778 0.490 2.032     203.844     330.000       7.128    9 
-    160000       32000.00      33.157       3.255      36.412   5.76 0.000 1.000 0.273 0.779     300.817     330.000       9.763    9 
-    170000       34000.00      27.836     -11.502      16.335   5.09 0.000 1.000 0.258 1.189     252.546     330.000       8.137    9 
-    180000       36000.00      36.641     -10.134      26.508   6.65 0.000 1.000 0.432 2.933     332.428     330.000      10.192    9 
-    190000       38000.00      32.140     -12.727      19.413   5.00 0.071 0.800 0.500 2.148     291.593     330.000       8.765    9 
-    200000       40000.00      42.778     -22.505      20.273   5.60 0.000 1.000 0.455 1.176     388.106     330.000       8.845    9 
-    210000       42000.00      33.977      -4.416      29.561   6.04 0.143 0.500 0.227 1.842     308.257     350.000       9.941    9 
-    220000       44000.00      34.260     -10.328      23.932   6.65 0.143 0.667 0.303 1.380     310.822     350.000       7.916    9 
-    230000       46000.00      26.884       3.856      30.740   6.14 0.143 0.600 0.345 1.663     243.909     350.000       8.097    9 
-    240000       48000.00      26.726      -2.907      23.819   6.22 0.071 0.667 0.424 2.509     242.471     350.000       8.763    9 
-    250000       50000.00      42.956       3.283      46.240   7.42 0.000   NaN   NaN 1.576     389.723     350.000      11.970    9 
-    260000       52000.00      34.835      -0.331      34.504   9.02 0.000   NaN   NaN 2.031     316.040     350.000      13.157    9 
-    270000       54000.00      31.870      -9.943      21.927   6.40 0.143 0.333 0.167 1.994     289.141     350.000       9.554    9 
-    280000       56000.00      31.016       0.710      31.726   9.81 0.071 0.500 0.182 2.351     281.390     350.000      13.431    9 
-    290000       58000.00      33.424     -13.377      20.047   8.92 0.071 0.750 0.170 0.809     303.243     350.000      12.370    9 
-    300000       60000.00      40.755      -0.335      40.420  10.19 0.000   NaN   NaN 1.517     369.750     350.000      14.482    9 
-    310000       62000.00      37.515     -10.222      27.293   5.51 0.143 0.333 0.258 1.209     340.356     400.000       8.319    9 
-    320000       64000.00      40.507       5.738      46.245   5.97 0.000 1.000 0.227 2.018     367.501     400.000      10.784    9 
-    330000       66000.00      40.167      -1.063      39.104   4.06 0.143 0.500 0.682 1.641     364.413     400.000       8.179    9 
-    340000       68000.00      39.230       7.903      47.133   7.61 0.071 0.000 0.136 1.869     355.915     400.000       9.786    9 
-    350000       70000.00      42.146      11.541      53.686   6.91 0.000 1.000 0.227 1.820     382.367     400.000       9.028    9 
-    360000       72000.00      37.043       4.694      41.737  13.18 0.000   NaN   NaN 3.001     336.075     400.000      16.597    9 
-    370000       74000.00      36.006      25.622      61.628   9.32 0.071 0.000 0.182 1.985     326.669     400.000      11.589    9 
-    380000       76000.00      40.622       8.930      49.552   6.29 0.000   NaN   NaN 1.563     368.541     400.000       9.907    9 
-    390000       78000.00      34.282      12.327      46.609   9.00 0.000   NaN   NaN 2.314     311.023     400.000      10.071    9 
-    400000       80000.00      33.779       9.242      43.021   9.94 0.000   NaN   NaN 2.058     306.459     400.000      12.952    9 
-    410000       82000.00      35.854       7.490      43.344   8.78 0.071 0.000 0.182 2.053     325.287     390.000      11.585    9 
-    420000       84000.00      37.278       7.635      44.913  12.04 0.000   NaN   NaN 2.166     338.203     390.000      16.136    9 
-    430000       86000.00      40.819      -4.749      36.070   6.60 0.143 0.600 0.300 2.722     370.327     390.000       8.032    9 
-    440000       88000.00      36.808       2.856      39.664  11.37 0.143 0.000 0.136 1.971     333.945     390.000      15.132    9 
-    450000       90000.00      39.718       1.468      41.186   7.10 0.071 0.500 0.159 0.944     360.342     390.000      10.788    9 
-    460000       92000.00      36.620       6.506      43.126   5.74 0.000   NaN   NaN 1.174     332.238     390.000       9.955    9 
-    470000       94000.00      46.959       0.061      47.020   4.20 0.071 0.500 0.136 1.179     426.032     390.000       8.584    9 
-    480000       96000.00      36.942      11.805      48.747   7.20 0.071 0.000 0.182 1.240     335.160     390.000      11.437    9 
-    490000       98000.00      33.093      12.467      45.560   7.48 0.071 0.000 0.136 1.238     300.239     390.000      10.350    9 
-    500000      100000.00      44.859       1.978      46.838   8.21 0.000   NaN   NaN 1.015     406.988     390.000      11.582    9 
-    510000      102000.00      28.379      10.340      38.719   5.34 0.071 0.000 0.182 2.508     257.469     380.000       8.647    9 
-    520000      104000.00      46.692      -9.276      37.416   6.31 0.071 0.667 0.333 1.846     423.614     380.000      10.902    9 
-    530000      106000.00      40.875       1.860      42.735   8.14 0.000   NaN   NaN 1.470     370.837     380.000      11.592    9 
-    540000      108000.00      37.315      -2.122      35.193   7.41 0.000 1.000 0.227 1.419     338.545     380.000      11.353    9 
-    550000      110000.00      35.768       1.419      37.187   6.67 0.000 1.000 0.273 1.620     324.503     380.000       8.659    9 
-    560000      112000.00      41.473       2.364      43.837   9.58 0.000 1.000 0.136 1.580     376.268     380.000      13.569    9 
-    570000      114000.00      33.437       1.121      34.558   8.39 0.143 0.000 0.136 1.702     303.357     380.000      10.202    9 
-    580000      116000.00      31.769       1.264      33.032   9.65 0.000   NaN   NaN 2.392     288.222     380.000      12.976    9 
-    590000      118000.00      32.037       7.596      39.634  10.65 0.000 1.000 0.136 2.280     290.660     380.000      14.311    9 
-    600000      120000.00      38.716       9.863      48.579   5.21 0.071 0.000 0.136 2.281     351.252     380.000       9.277    9 
-    610000      122000.00      40.798      -6.183      34.616   5.66 0.286 0.692 0.287 1.285     370.142     370.000       7.238    9 
-    620000      124000.00      40.209      11.928      52.137   7.35 0.071 0.000 0.182 2.575     364.793     370.000      10.807    9 
-    630000      126000.00      34.718      -3.007      31.711   9.96 0.000   NaN   NaN 2.892     314.983     370.000      13.151    9 
-    640000      128000.00      35.791     -12.631      23.160   5.10 0.143 0.500 0.148 2.167     324.716     370.000       8.625    9 
-    650000      130000.00      33.245       6.814      40.059   9.45 0.000   NaN   NaN 1.216     301.614     370.000      13.033    9 
-    660000      132000.00      28.525       2.401      30.926   7.18 0.000 1.000 0.273 1.602     258.792     370.000       9.678    9 
-    670000      134000.00      43.732      -3.298      40.434   6.33 0.000 1.000 0.182 2.309     396.762     370.000       9.421    9 
-    680000      136000.00      34.762      -9.155      25.607   5.23 0.143 0.500 0.330 1.102     315.377     370.000       8.496    9 
-    690000      138000.00      35.584       3.964      39.548   8.59 0.000 1.000 0.273 2.155     322.833     370.000      10.385    9 
-    700000      140000.00      22.420      -8.226      14.193   7.31 0.214 0.400 0.209 0.582     203.405     370.000      11.636    9 
-    710000      142000.00      32.411       2.045      34.456   6.84 0.000 1.000 0.197 1.394     294.049     360.000       9.669    9 
-    720000      144000.00      27.201     -16.234      10.967   5.50 0.286 0.333 0.326 2.926     246.783     360.000       8.555    9 
-    730000      146000.00      43.728      -1.163      42.565   8.30 0.000   NaN   NaN 3.946     396.723     360.000       9.669    9 
-    740000      148000.00      32.502       5.907      38.409   7.38 0.000   NaN   NaN 1.684     294.873     360.000      11.916    9 
-    750000      150000.00      34.213       0.867      35.080   6.31 0.071 0.750 0.216 1.282     310.399     360.000       8.886    9 
-    760000      152000.00      48.644      -6.357      42.287   6.13 0.071 0.800 0.209 1.790     441.326     360.000       9.025    9 
-    770000      154000.00      34.985      -9.481      25.504   8.01 0.000   NaN   NaN 1.845     317.402     360.000       9.201    9 
-    780000      156000.00      31.613      -8.961      22.651   5.07 0.071 0.667 0.152 0.646     286.808     360.000       9.649    9 
-    790000      158000.00      34.338       1.846      36.184   7.47 0.071 0.000 0.136 2.870     311.531     360.000       9.861    9 
-    800000      160000.00      34.957      11.322      46.278   7.09 0.071 0.000 0.136 3.724     317.144     360.000      11.604    9 
-    810000      162000.00      45.514     -12.345      33.169   6.70 0.071 0.833 0.402 0.990     412.926     400.000       7.763    9 
-    820000      164000.00      38.329       8.649      46.978   4.85 0.000 1.000 0.773 3.624     347.744     400.000       9.232    9 
-    830000      166000.00      50.101      16.878      66.979  11.18 0.000 1.000 0.136 1.914     454.541     400.000      14.373    9 
-    840000      168000.00      32.543      -4.469      28.075   4.54 0.143 0.600 0.300 1.951     295.250     400.000       8.078    9 
-    850000      170000.00      42.602      12.927      55.529   5.98 0.000   NaN   NaN 2.002     386.504     400.000      10.738    9 
-    860000      172000.00      33.087       5.187      38.275  11.20 0.000   NaN   NaN 1.696     300.184     400.000      14.550    9 
-    870000      174000.00      42.247       2.220      44.468   4.57 0.143 0.000 0.455 1.047     383.290     400.000       8.781    9 
-    880000      176000.00      40.259       3.606      43.864   8.85 0.071 0.667 0.167 2.088     365.248     400.000      12.074    9 
-    890000      178000.00      36.821       1.584      38.404   8.09 0.071 0.800 0.191 1.145     334.057     400.000      10.593    9 
-    900000      180000.00      38.696       5.708      44.404   6.17 0.000   NaN   NaN 1.631     351.072     400.000      11.513    9 
-    910000      182000.00      38.150       8.604      46.754   6.43 0.000   NaN   NaN 4.391     346.117     390.000      10.334    9 
-    920000      184000.00      38.610       5.850      44.461  10.47 0.000   NaN   NaN 2.492     350.294     390.000      14.513    9 
-    930000      186000.00      38.989      -0.330      38.659   9.12 0.000   NaN   NaN 1.530     353.731     390.000      12.807    9 
-    940000      188000.00      40.823      13.136      53.959   7.29 0.000 1.000 0.227 1.509     370.369     390.000      10.039    9 
-    950000      190000.00      44.345      18.202      62.546   8.55 0.000   NaN   NaN 2.761     402.319     390.000      11.143    9 
-    960000      192000.00      35.427      -7.599      27.828   6.27 0.071 0.000 0.182 0.998     321.416     390.000       8.885    9 
-    970000      194000.00      37.053       4.997      42.050  10.92 0.000   NaN   NaN 1.358     336.161     390.000      15.022    9 
-    980000      196000.00      44.993       7.822      52.816   7.34 0.000   NaN   NaN 3.697     408.203     390.000      12.397    9 
-    990000      198000.00      44.405      -0.268      44.137   8.51 0.071 0.667 0.242 1.291     402.864     390.000      12.297    9 
-   1000000      200000.00      49.624     -11.283      38.341   4.66 0.143 0.667 0.364 1.424     450.218     390.000       7.613    9 
+     10000        2000.00      35.586      -6.809      28.777   8.48 0.143 0.333 0.167 2.021     322.856     340.000      12.127    9 
+     20000        4000.00      26.819      -5.602      21.217   6.61 0.071 0.833 0.364 1.136     243.319     340.000       9.165    9 
+     30000        6000.00      34.135     -10.616      23.519   6.74 0.071 0.667 0.273 1.234     309.687     340.000       8.404    9 
+     40000        8000.00      30.860       4.549      35.409   8.07 0.000 1.000 0.182 2.270     279.982     340.000      12.309    9 
+     50000       10000.00      28.586      -7.656      20.930   6.35 0.143 0.333 0.136 2.661     259.350     340.000      11.184    9 
+     60000       12000.00      30.464      -5.369      25.095   7.73 0.214 0.250 0.148 2.240     276.388     340.000       9.875    9 
+     70000       14000.00      33.043      -7.143      25.899   6.06 0.000 1.000 0.432 1.756     299.780     340.000       9.349    9 
+     80000       16000.00      28.247      -5.846      22.401   5.63 0.000 1.000 0.364 1.951     256.268     340.000      10.643    9 
+     90000       18000.00      29.832      -3.417      26.415   8.75 0.000 1.000 0.182 2.054     270.649     340.000      12.216    9 
+    100000       20000.00      29.712      -7.121      22.591   6.27 0.071 0.857 0.286 2.017     269.564     340.000       7.603    9 
+    110000       22000.00      31.206     -12.670      18.537   7.00 0.071 0.800 0.218 2.168     283.121     330.000       7.997    9 
+    120000       24000.00      43.924     -18.349      25.575   5.20 0.000 1.000 0.621 1.827     398.502     330.000       8.163    9 
+    130000       26000.00      25.849     -25.661       0.188   6.09 0.357 0.545 0.198 1.942     234.518     330.000       7.110    9 
+    140000       28000.00      37.103     -21.406      15.696   5.06 0.143 0.500 0.398 3.347     336.616     330.000       7.539    9 
+    150000       30000.00      24.617     -17.724       6.894   5.28 0.214 0.571 0.448 1.786     223.340     330.000       8.236    9 
+    160000       32000.00      34.541      -7.422      27.119   6.67 0.143 0.750 0.233 1.353     313.369     330.000       7.783    9 
+    170000       34000.00      27.426     -15.510      11.916   5.73 0.000 1.000 0.227 1.644     248.821     330.000       8.409    9 
+    180000       36000.00      32.645     -23.502       9.143   6.01 0.143 0.778 0.455 2.183     296.170     330.000       7.009    9 
+    190000       38000.00      32.586       0.600      33.186   7.35 0.214 0.500 0.235 1.086     295.635     330.000       8.611    9 
+    200000       40000.00      41.142      -0.547      40.595  10.28 0.000   NaN   NaN 1.555     373.264     330.000      13.281    9 
+    210000       42000.00      32.093      -9.378      22.716   5.83 0.143 0.667 0.417 2.462     291.168     320.000       8.634    9 
+    220000       44000.00      31.064      -6.841      24.223   5.51 0.071 0.750 0.511 1.136     281.826     320.000       8.234    9 
+    230000       46000.00      29.365     -28.718       0.647   4.84 0.143 0.600 0.264 1.481     266.415     320.000       8.409    9 
+    240000       48000.00      29.717     -18.068      11.649   4.79 0.143 0.667 0.280 2.741     269.605     320.000       8.109    9 
+    250000       50000.00      32.305       1.502      33.807   6.80 0.071 0.500 0.182 2.285     293.086     320.000       8.577    9 
+    260000       52000.00      31.667     -11.364      20.303   7.13 0.071 0.833 0.227 0.777     287.300     320.000       8.306    9 
+    270000       54000.00      29.273     -24.949       4.325   4.64 0.214 0.700 0.273 1.454     265.580     320.000       7.323    9 
+    280000       56000.00      31.899     -33.730      -1.831   4.81 0.357 0.615 0.238 1.205     289.406     320.000       7.242    9 
+    290000       58000.00      33.283     -25.464       7.819   5.12 0.071 0.800 0.318 2.674     301.961     320.000       7.509    9 
+    300000       60000.00      33.529     -24.539       8.990   4.23 0.214 0.571 0.247 1.562     304.190     320.000       7.554    9 
+    310000       62000.00      29.393     -33.817      -4.425   5.25 0.143 0.833 0.314 0.980     266.664     310.000       7.149    9 
+    320000       64000.00      35.293     -23.225      12.068   4.02 0.071 0.800 0.391 1.188     320.195     310.000       7.331    9 
+    330000       66000.00      30.205     -25.819       4.385   3.58 0.357 0.444 0.283 1.255     274.032     310.000       7.811    9 
+    340000       68000.00      26.084     -36.326     -10.242   3.63 0.286 0.600 0.309 1.811     236.648     310.000       6.881    9 
+    350000       70000.00      31.849     -24.199       7.650   5.86 0.071 0.800 0.300 1.309     288.950     310.000       7.011    9 
+    360000       72000.00      23.603      -9.371      14.232   4.24 0.071 0.750 0.534 1.870     214.135     310.000       8.058    9 
+    370000       74000.00      29.521     -25.821       3.700   3.54 0.357 0.583 0.364 2.942     267.832     310.000       6.880    9 
+    380000       76000.00      28.188     -21.957       6.231   3.96 0.357 0.444 0.348 1.638     255.738     310.000       7.498    9 
+    390000       78000.00      23.934       1.835      25.770   5.76 0.214 0.000 0.197 2.979     217.144     310.000       8.425    9 
+    400000       80000.00      30.609     -22.671       7.939   4.57 0.214 0.625 0.466 1.627     277.704     310.000       8.544    9 
+    410000       82000.00      27.089     -14.035      13.054   6.96 0.214 0.500 0.174 2.213     245.761     320.000       9.742    9 
+    420000       84000.00      35.437     -22.713      12.723   4.40 0.143 0.500 0.318 1.738     321.499     320.000       7.928    9 
+    430000       86000.00      31.179     -28.946       2.233   5.52 0.286 0.556 0.217 1.599     282.870     320.000       7.513    9 
+    440000       88000.00      29.218     -18.289      10.928   9.07 0.143 0.500 0.136 0.990     265.079     320.000      11.942    9 
+    450000       90000.00      29.062     -22.507       6.554   4.54 0.286 0.429 0.188 1.815     263.663     320.000       7.748    9 
+    460000       92000.00      28.676     -22.654       6.022   3.34 0.143 0.714 0.331 1.604     260.161     320.000       7.703    9 
+    470000       94000.00      39.754      -7.567      32.187   7.19 0.143 0.500 0.170 3.173     360.664     320.000      11.095    9 
+    480000       96000.00      32.790      -2.300      30.489   5.14 0.000 1.000 0.273 2.405     297.486     320.000       7.897    9 
+    490000       98000.00      28.492     -25.961       2.531   4.43 0.357 0.643 0.354 1.231     258.494     320.000       6.939    9 
+    500000      100000.00      35.255     -23.351      11.904   3.50 0.429 0.455 0.260 1.360     319.847     320.000       8.183    9 
+    510000      102000.00      26.943     -30.952      -4.009   4.26 0.143 0.833 0.330 1.472     244.445     310.000       7.190    9 
+    520000      104000.00      31.274     -25.087       6.187   5.62 0.071 0.900 0.368 1.938     283.731     310.000       6.926    9 
+    530000      106000.00      31.064     -33.263      -2.199   4.30 0.214 0.667 0.338 1.338     281.829     310.000       7.064    9 
+    540000      108000.00      28.451     -27.363       1.088   3.91 0.143 0.600 0.400 2.627     258.121     310.000       7.502    9 
+    550000      110000.00      31.351     -35.718      -4.367   3.81 0.214 0.750 0.367 1.049     284.430     310.000       7.250    9 
+    560000      112000.00      36.310     -26.936       9.374   4.17 0.143 0.667 0.462 1.291     329.422     310.000       7.484    9 
+    570000      114000.00      29.726     -18.067      11.658   3.96 0.214 0.727 0.455 0.854     269.685     310.000       6.911    9 
+    580000      116000.00      26.625     -22.742       3.883   4.28 0.214 0.625 0.511 0.744     241.560     310.000       7.372    9 
+    590000      118000.00      27.529     -26.628       0.902   4.03 0.214 0.727 0.376 1.974     249.762     310.000       7.331    9 
+    600000      120000.00      34.725     -21.508      13.217   4.98 0.071 0.900 0.323 1.266     315.041     310.000       7.080    9 
+    610000      122000.00      25.791     -12.747      13.044   8.26 0.214 0.400 0.182 2.405     233.990     310.000      11.637    9 
+    620000      124000.00      30.007     -20.489       9.518   3.92 0.357 0.545 0.273 2.052     272.235     310.000       7.336    9 
+    630000      126000.00      26.709     -37.418     -10.708   4.11 0.286 0.714 0.364 1.295     242.321     310.000       6.978    9 
+    640000      128000.00      29.599     -27.767       1.833   4.24 0.214 0.571 0.221 1.365     268.542     310.000       7.833    9 
+    650000      130000.00      30.275     -27.892       2.383   6.06 0.214 0.769 0.294 2.598     274.673     310.000       6.796    9 
+    660000      132000.00      24.940     -39.053     -14.113   5.11 0.286 0.733 0.376 1.908     226.270     310.000       6.799    9 
+    670000      134000.00      34.174     -25.904       8.270   4.46 0.286 0.429 0.247 1.614     310.043     310.000       7.731    9 
+    680000      136000.00      28.657     -18.316      10.341   4.68 0.214 0.700 0.486 1.336     259.994     310.000       7.363    9 
+    690000      138000.00      37.433     -29.340       8.094   5.05 0.286 0.600 0.250 1.597     339.615     310.000       7.083    9 
+    700000      140000.00      26.243     -36.283     -10.040   4.55 0.143 0.750 0.409 1.354     238.087     310.000       7.714    9 
+    710000      142000.00      31.296     -13.164      18.132   4.82 0.143 0.714 0.364 1.410     283.935     320.000       8.323    9 
+    720000      144000.00      23.100      -7.028      16.071   4.77 0.143 0.500 0.148 2.153     209.573     320.000       9.314    9 
+    730000      146000.00      36.420     -24.611      11.808   6.36 0.071 0.800 0.173 3.521     330.418     320.000       9.722    9 
+    740000      148000.00      30.508     -11.481      19.027   7.20 0.143 0.600 0.227 1.733     276.787     320.000       8.361    9 
+    750000      150000.00      33.392     -26.462       6.930   5.18 0.143 0.500 0.216 1.838     302.947     320.000       7.966    9 
+    760000      152000.00      37.077     -24.422      12.655   5.88 0.286 0.500 0.205 2.131     336.379     320.000       7.743    9 
+    770000      154000.00      37.386     -26.742      10.644   5.41 0.143 0.600 0.191 3.249     339.188     320.000       8.687    9 
+    780000      156000.00      28.542     -24.331       4.211   6.48 0.143 0.600 0.218 1.292     258.952     320.000       8.982    9 
+    790000      158000.00      26.949     -23.578       3.370   6.73 0.000 1.000 0.489 1.235     244.492     320.000       7.413    9 
+    800000      160000.00      35.549     -12.974      22.575   4.61 0.071 0.750 0.273 2.902     322.522     320.000       8.883    9 
+    810000      162000.00      35.832       6.388      42.220   6.09 0.000 1.000 0.455 1.864     325.084     350.000       9.687    9 
+    820000      164000.00      37.574      -4.614      32.960   4.45 0.000 1.000 0.561 1.066     340.890     350.000       7.829    9 
+    830000      166000.00      39.870     -10.582      29.288   6.49 0.071 0.800 0.473 1.125     361.718     350.000       7.670    9 
+    840000      168000.00      28.765     -11.049      17.716   8.83 0.071 0.667 0.258 1.062     260.972     350.000      10.795    9 
+    850000      170000.00      42.147      -4.076      38.071   6.49 0.143 0.600 0.182 2.381     382.380     350.000      10.674    9 
+    860000      172000.00      31.210      -7.031      24.178  10.85 0.000   NaN   NaN 0.922     283.150     350.000      14.050    9 
+    870000      174000.00      33.916     -18.233      15.682   4.80 0.071 0.800 0.382 1.461     307.702     350.000       7.583    9 
+    880000      176000.00      36.513      -3.319      33.194   8.55 0.143 0.333 0.136 1.724     331.264     350.000      11.076    9 
+    890000      178000.00      28.804      -8.738      20.067  10.30 0.000 1.000 0.136 1.799     261.327     350.000      13.356    9 
+    900000      180000.00      36.541     -16.220      20.321   3.98 0.143 0.600 0.418 1.289     331.521     350.000       8.574    9 
+    910000      182000.00      35.661      -5.762      29.899   7.32 0.071 0.667 0.167 1.926     323.538     340.000      10.713    9 
+    920000      184000.00      27.398      -5.826      21.572   4.44 0.214 0.250 0.330 1.276     248.565     340.000       8.698    9 
+    930000      186000.00      33.604      -0.610      32.994   5.85 0.000   NaN   NaN 1.334     304.870     340.000      10.132    9 
+    940000      188000.00      32.925      -4.160      28.765   6.01 0.000 1.000 0.250 1.163     298.712     340.000       7.729    9 
+    950000      190000.00      45.688      -8.081      37.607   6.01 0.000 1.000 0.227 2.650     414.503     340.000       8.850    9 
+    960000      192000.00      32.657      -5.133      27.524   5.85 0.000 1.000 0.500 1.193     296.282     340.000      10.129    9 
+    970000      194000.00      30.505      -8.078      22.427   6.57 0.071 0.750 0.295 2.646     276.758     340.000       8.038    9 
+    980000      196000.00      42.875      -4.367      38.509   6.50 0.000 1.000 0.295 1.284     388.985     340.000       9.359    9 
+    990000      198000.00      40.394     -19.598      20.796   4.16 0.143 0.714 0.286 1.615     366.471     340.000       8.376    9 
+   1000000      200000.00      35.630       0.128      35.758   7.12 0.143 0.000 0.159 2.956     323.252     340.000       9.889    9 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB010.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
index 07c0c4f..0e309a8 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
@@ -1,101 +1,101 @@
          0           0.00      40.911      24.593      65.504  12.87 0.000   NaN   NaN 0.708     371.162     350.000      15.552   10 
-     10000        2000.00      34.038      -3.163      30.875   6.82 0.143 0.500 0.182 2.657     308.811     350.000      10.634   10 
-     20000        4000.00      35.707      -8.590      27.117   5.97 0.143 0.714 0.325 1.349     323.951     350.000       7.707   10 
-     30000        6000.00      31.536     -20.241      11.294   4.85 0.143 0.500 0.375 0.860     286.107     350.000       8.789   10 
-     40000        8000.00      25.657     -13.824      11.833   5.18 0.143 0.500 0.432 2.556     232.770     350.000       8.189   10 
-     50000       10000.00      31.670       1.151      32.821   7.79 0.000 1.000 0.273 2.356     287.329     350.000      11.471   10 
-     60000       12000.00      39.327      -1.660      37.667   6.39 0.000 1.000 0.409 2.052     356.798     350.000       9.390   10 
-     70000       14000.00      32.515     -10.980      21.535   6.13 0.143 0.600 0.382 2.136     294.992     350.000       7.708   10 
-     80000       16000.00      39.605      -5.011      34.594   6.53 0.071 0.667 0.258 2.811     359.317     350.000       7.601   10 
-     90000       18000.00      32.719     -16.480      16.238   5.72 0.000 1.000 0.291 1.051     296.842     350.000       9.838   10 
-    100000       20000.00      27.737       1.911      29.648   9.51 0.071 0.000 0.136 1.174     251.643     350.000      14.291   10 
-    110000       22000.00      27.807       2.885      30.692   5.80 0.071 0.000 0.182 0.567     252.280     380.000       8.950   10 
-    120000       24000.00      30.204      -4.962      25.242   5.71 0.143 0.714 0.370 2.042     274.028     380.000       7.750   10 
-    130000       26000.00      32.094       4.584      36.679   5.20 0.000 1.000 0.250 1.686     291.178     380.000       9.008   10 
-    140000       28000.00      41.347      -2.087      39.259   6.62 0.071 0.800 0.327 1.176     375.119     380.000       7.957   10 
-    150000       30000.00      35.492       8.694      44.186   9.10 0.071 0.000 0.182 2.838     322.004     380.000      12.384   10 
-    160000       32000.00      36.927      -2.009      34.919   7.28 0.071 0.500 0.182 1.677     335.025     380.000      11.887   10 
-    170000       34000.00      40.226       3.170      43.396   5.26 0.000   NaN   NaN 2.537     364.950     380.000       9.719   10 
-    180000       36000.00      38.153     -14.818      23.336   4.38 0.143 0.500 0.466 0.913     346.148     380.000       8.943   10 
-    190000       38000.00      36.465       0.908      37.373   7.12 0.000   NaN   NaN 0.961     330.825     380.000      11.079   10 
-    200000       40000.00      33.826       0.870      34.696   5.94 0.000 1.000 0.568 1.924     306.889     380.000       8.678   10 
-    210000       42000.00      37.566      12.569      50.135   9.82 0.000   NaN   NaN 2.765     340.819     370.000      13.347   10 
-    220000       44000.00      40.798       2.758      43.556   9.65 0.000 1.000 0.182 1.564     370.138     370.000      14.241   10 
-    230000       46000.00      36.548       2.079      38.626  10.12 0.071 0.000 0.182 3.044     331.580     370.000      13.674   10 
-    240000       48000.00      30.505      -9.578      20.927   5.44 0.071 0.667 0.500 1.538     276.759     370.000       7.626   10 
-    250000       50000.00      31.070       4.235      35.305   7.08 0.000   NaN   NaN 1.132     281.882     370.000      11.774   10 
-    260000       52000.00      35.202      -6.296      28.906   6.63 0.000   NaN   NaN 3.208     319.370     370.000      11.164   10 
-    270000       54000.00      37.241     -13.299      23.942   5.98 0.000 1.000 0.436 0.865     337.865     370.000       9.574   10 
-    280000       56000.00      36.686       4.006      40.692   6.04 0.000 1.000 0.136 2.729     332.838     370.000      10.966   10 
-    290000       58000.00      39.211      10.814      50.025  11.51 0.000   NaN   NaN 2.782     355.747     370.000      15.558   10 
-    300000       60000.00      33.780      -1.168      32.612   5.60 0.000   NaN   NaN 1.984     306.466     370.000      10.640   10 
-    310000       62000.00      34.772      -3.722      31.050   6.04 0.071 0.000 0.136 1.661     315.471     360.000      10.383   10 
-    320000       64000.00      41.833       2.899      44.732   8.26 0.000 1.000 0.295 2.025     379.532     360.000      11.374   10 
-    330000       66000.00      47.752      -2.343      45.409   6.29 0.143 0.333 0.167 1.983     433.228     360.000      10.369   10 
-    340000       68000.00      32.605      -9.628      22.977   4.51 0.143 0.667 0.455 1.847     295.813     360.000       7.983   10 
-    350000       70000.00      41.338       3.982      45.320   5.95 0.000 1.000 0.264 2.398     375.038     360.000       9.352   10 
-    360000       72000.00      31.317     -19.866      11.451   5.76 0.143 0.714 0.396 3.251     284.124     360.000       7.442   10 
-    370000       74000.00      41.173      -5.042      36.132   6.54 0.143 0.600 0.318 1.940     373.546     360.000       7.786   10 
-    380000       76000.00      33.178      -5.202      27.976   4.41 0.071 0.667 0.182 1.275     301.012     360.000       8.375   10 
-    390000       78000.00      38.975      -1.853      37.122  10.13 0.000   NaN   NaN 1.915     353.601     360.000      13.156   10 
-    400000       80000.00      34.046       6.594      40.639   8.95 0.000   NaN   NaN 2.758     308.880     360.000      13.258   10 
-    410000       82000.00      36.457      -3.815      32.642   5.46 0.000 1.000 0.348 2.391     330.754     350.000       8.805   10 
-    420000       84000.00      41.181      -6.051      35.130   5.23 0.071 0.667 0.197 2.892     373.614     350.000       8.509   10 
-    430000       86000.00      33.674     -24.611       9.063   5.41 0.286 0.500 0.352 2.080     305.512     350.000       7.878   10 
-    440000       88000.00      38.381      -1.761      36.619   6.08 0.000 1.000 0.364 1.916     348.209     350.000       8.359   10 
-    450000       90000.00      31.915     -12.014      19.901   6.90 0.143 0.500 0.182 2.769     289.550     350.000       8.696   10 
-    460000       92000.00      31.756       0.703      32.459  10.36 0.000 1.000 0.159 1.256     288.103     350.000      13.870   10 
-    470000       94000.00      32.811       3.199      36.010   6.25 0.000 1.000 0.136 1.372     297.677     350.000       9.972   10 
-    480000       96000.00      44.988     -14.022      30.966   5.89 0.214 0.786 0.354 0.952     408.153     350.000       6.519   10 
-    490000       98000.00      28.369       7.407      35.776   6.02 0.143 0.600 0.318 3.955     257.380     350.000       9.592   10 
-    500000      100000.00      33.191       5.964      39.155   5.83 0.000 1.000 0.227 0.938     301.127     350.000       9.595   10 
-    510000      102000.00      30.951      -9.660      21.291   7.54 0.071 0.667 0.182 1.506     280.803     340.000       8.043   10 
-    520000      104000.00      33.856      -2.311      31.545   4.90 0.143 0.600 0.227 1.825     307.158     340.000       8.418   10 
-    530000      106000.00      31.344      -3.186      28.158   5.97 0.071 0.667 0.667 1.726     284.370     340.000       9.120   10 
-    540000      108000.00      34.263      -9.800      24.463   4.72 0.214 0.625 0.284 2.525     310.849     340.000       8.511   10 
-    550000      110000.00      30.413      -6.321      24.092   5.87 0.000 1.000 0.636 2.652     275.923     340.000       8.052   10 
-    560000      112000.00      29.909      -9.978      19.930   5.72 0.071 0.889 0.343 2.007     271.348     340.000       7.583   10 
-    570000      114000.00      27.407      -4.405      23.002   4.57 0.071 0.667 0.424 3.455     248.652     340.000       8.512   10 
-    580000      116000.00      25.061     -14.606      10.455   9.38 0.143 0.500 0.148 0.844     227.369     340.000      12.296   10 
-    590000      118000.00      35.128     -10.006      25.122   4.61 0.071 0.800 0.336 1.983     318.698     340.000       8.203   10 
-    600000      120000.00      34.337     -25.135       9.202   4.81 0.143 0.667 0.311 1.318     311.524     340.000       7.821   10 
-    610000      122000.00      46.258     -16.719      29.539   4.95 0.143 0.500 0.466 2.059     419.679     330.000       7.536   10 
-    620000      124000.00      35.156     -19.250      15.906   4.69 0.071 0.857 0.338 2.829     318.951     330.000       7.367   10 
-    630000      126000.00      39.050     -15.337      23.713   4.92 0.143 0.667 0.439 1.508     354.285     330.000       9.681   10 
-    640000      128000.00      35.697     -16.493      19.204   5.95 0.000 1.000 0.291 1.777     323.859     330.000       9.560   10 
-    650000      130000.00      30.261      -5.936      24.325   6.06 0.000 1.000 0.364 2.244     274.545     330.000       8.641   10 
-    660000      132000.00      33.786     -17.928      15.858   5.13 0.214 0.250 0.193 1.594     306.522     330.000       7.792   10 
-    670000      134000.00      26.962     -24.083       2.880   5.84 0.071 0.889 0.318 1.829     244.615     330.000       8.129   10 
-    680000      136000.00      33.106     -17.493      15.613   8.47 0.071 0.750 0.205 1.516     300.356     330.000      10.990   10 
-    690000      138000.00      28.468     -13.189      15.280   5.86 0.214 0.250 0.261 1.695     258.278     330.000      10.188   10 
-    700000      140000.00      41.277      -5.772      35.505   5.43 0.071 0.500 0.205 1.396     374.482     330.000       8.409   10 
-    710000      142000.00      33.006       2.411      35.416  10.71 0.000 1.000 0.159 2.865     299.443     380.000      13.825   10 
-    720000      144000.00      35.826      -6.042      29.784   9.33 0.000 1.000 0.136 1.886     325.030     380.000      12.270   10 
-    730000      146000.00      47.523       3.660      51.183   4.69 0.071 0.800 0.327 2.934     431.155     380.000       8.601   10 
-    740000      148000.00      47.678      -0.130      47.548  11.90 0.000   NaN   NaN 1.410     432.564     380.000      15.563   10 
-    750000      150000.00      37.074      -0.835      36.238  12.61 0.000   NaN   NaN 2.017     336.350     380.000      16.702   10 
-    760000      152000.00      41.536       2.927      44.463   9.58 0.214 0.500 0.205 1.238     376.835     380.000      11.990   10 
-    770000      154000.00      40.494       3.649      44.143   5.69 0.143 0.000 0.477 2.423     367.382     380.000       9.104   10 
-    780000      156000.00      46.471     -13.579      32.892   4.90 0.071 0.750 0.352 2.649     421.608     380.000       8.312   10 
-    790000      158000.00      36.001       1.947      37.948   7.40 0.000 1.000 0.136 1.745     326.619     380.000      11.478   10 
-    800000      160000.00      33.291      -6.360      26.931   8.05 0.214 0.571 0.286 2.387     302.035     380.000      11.145   10 
-    810000      162000.00      38.179       2.281      40.461   5.90 0.000   NaN   NaN 1.743     346.382     370.000       9.700   10 
-    820000      164000.00      37.928       7.311      45.240   5.90 0.000 1.000 0.348 2.846     344.105     370.000       9.177   10 
-    830000      166000.00      38.296      -6.661      31.635   5.58 0.000 1.000 0.477 2.502     347.438     370.000       9.076   10 
-    840000      168000.00      35.543       4.891      40.434   5.71 0.000 1.000 0.443 2.117     322.463     370.000       8.784   10 
-    850000      170000.00      27.913       4.342      32.256   7.01 0.071 0.500 0.250 2.784     253.245     370.000      10.768   10 
-    860000      172000.00      33.639      -5.356      28.283   7.05 0.071 0.500 0.136 2.859     305.192     370.000       9.842   10 
-    870000      174000.00      34.463      -6.036      28.428   5.77 0.214 0.571 0.266 1.779     312.668     370.000       7.706   10 
-    880000      176000.00      35.022       1.915      36.937   5.45 0.143 0.667 0.227 2.196     317.740     370.000       9.635   10 
-    890000      178000.00      31.857      -5.562      26.295   9.47 0.000 1.000 0.182 1.643     289.023     370.000      12.700   10 
-    900000      180000.00      35.949      -7.646      28.303   7.92 0.000 1.000 0.136 0.925     326.150     370.000      12.534   10 
-    910000      182000.00      30.672     -12.733      17.939   7.40 0.000 1.000 0.258 1.164     278.274     360.000      11.360   10 
-    920000      184000.00      35.178      -1.221      33.957   4.48 0.071 0.857 0.195 3.556     319.157     360.000       8.297   10 
-    930000      186000.00      33.636      -3.810      29.826   6.24 0.143 0.000 0.159 1.551     305.163     360.000      10.739   10 
-    940000      188000.00      31.718      -0.967      30.751   5.84 0.071 0.750 0.352 1.264     287.764     360.000       8.745   10 
-    950000      190000.00      33.531      -6.744      26.787   4.98 0.143 0.667 0.455 2.034     304.213     360.000       7.835   10 
-    960000      192000.00      35.948      -4.447      31.501   6.09 0.071 0.833 0.258 1.585     326.142     360.000       9.497   10 
-    970000      194000.00      29.569       3.418      32.987   6.75 0.071 0.750 0.273 1.888     268.261     360.000       8.524   10 
-    980000      196000.00      36.129       1.307      37.436   7.17 0.071 0.667 0.167 1.689     327.778     360.000      10.497   10 
-    990000      198000.00      29.571      -1.090      28.482   8.51 0.071 0.000 0.182 2.217     268.287     360.000      12.732   10 
-   1000000      200000.00      33.111     -12.386      20.725  11.94 0.214 0.000 0.152 1.740     300.398     360.000      15.353   10 
+     10000        2000.00      33.370      -6.449      26.921   4.83 0.357 0.286 0.409 1.391     302.752     350.000       8.498   10 
+     20000        4000.00      32.778     -17.298      15.480   5.32 0.071 0.750 0.148 2.202     297.383     350.000       9.461   10 
+     30000        6000.00      37.556     -18.254      19.303   4.95 0.143 0.000 0.159 1.541     340.730     350.000       9.089   10 
+     40000        8000.00      28.268      -6.500      21.768   7.88 0.071 0.000 0.182 2.626     256.465     350.000      12.092   10 
+     50000       10000.00      33.819      -8.953      24.866   5.74 0.000 1.000 0.818 1.960     306.821     350.000       9.238   10 
+     60000       12000.00      33.152      -0.790      32.362   7.11 0.071 0.667 0.182 2.011     300.771     350.000       9.888   10 
+     70000       14000.00      36.117       6.675      42.792   5.03 0.071 0.667 0.258 2.558     327.671     350.000       8.163   10 
+     80000       16000.00      33.921     -14.630      19.292   4.72 0.071 0.917 0.417 1.404     307.753     350.000       7.768   10 
+     90000       18000.00      31.873     -11.364      20.508   7.97 0.071 0.667 0.136 1.286     289.164     350.000      11.243   10 
+    100000       20000.00      28.609       3.032      31.640   6.70 0.071 0.800 0.236 2.162     259.551     350.000       8.768   10 
+    110000       22000.00      30.981       2.817      33.798   6.59 0.071 0.000 0.136 1.472     281.078     400.000       9.834   10 
+    120000       24000.00      37.997      15.497      53.494   5.84 0.000 1.000 0.136 2.844     344.732     400.000       8.893   10 
+    130000       26000.00      35.282       8.790      44.072   6.03 0.000 1.000 0.318 1.653     320.095     400.000       9.274   10 
+    140000       28000.00      42.506       4.748      47.254   5.77 0.000 1.000 0.773 1.510     385.634     400.000      10.522   10 
+    150000       30000.00      34.674       3.295      37.969   7.08 0.000   NaN   NaN 4.730     314.576     400.000      11.213   10 
+    160000       32000.00      40.445       2.465      42.910   5.48 0.071 0.800 0.327 2.742     366.940     400.000       8.966   10 
+    170000       34000.00      38.075      -7.159      30.916   4.18 0.071 0.500 0.477 1.432     345.438     400.000       9.023   10 
+    180000       36000.00      37.296      -1.658      35.639   7.59 0.071 0.000 0.136 1.632     338.371     400.000      11.313   10 
+    190000       38000.00      35.842       8.683      44.525  10.00 0.000   NaN   NaN 1.816     325.176     400.000      12.965   10 
+    200000       40000.00      36.608      -4.297      32.311   5.17 0.143 0.500 0.352 1.416     332.130     400.000       8.953   10 
+    210000       42000.00      42.777       4.403      47.181   7.53 0.000 1.000 0.227 1.258     388.096     390.000      11.677   10 
+    220000       44000.00      40.561       3.828      44.389   7.52 0.000 1.000 0.273 1.342     367.994     390.000      11.318   10 
+    230000       46000.00      43.350       3.087      46.437   6.64 0.000 1.000 0.227 2.403     393.292     390.000      10.459   10 
+    240000       48000.00      36.626      -4.050      32.576   5.84 0.000 1.000 0.182 1.901     332.290     390.000       9.602   10 
+    250000       50000.00      38.306      -4.841      33.465   6.26 0.071 0.000 0.182 0.988     347.532     390.000       9.856   10 
+    260000       52000.00      37.154      -2.935      34.219  11.70 0.000   NaN   NaN 2.225     337.079     390.000      15.650   10 
+    270000       54000.00      36.513      -1.475      35.037   5.24 0.000 1.000 0.136 1.717     331.263     390.000       8.992   10 
+    280000       56000.00      39.517     -10.405      29.112   6.30 0.071 0.875 0.477 1.792     358.516     390.000       7.446   10 
+    290000       58000.00      44.776       8.194      52.970   8.64 0.000   NaN   NaN 2.649     406.234     390.000      13.162   10 
+    300000       60000.00      35.783      -5.410      30.373   4.34 0.071 0.800 0.318 2.948     324.641     390.000       8.674   10 
+    310000       62000.00      38.003       6.338      44.342  11.07 0.000   NaN   NaN 1.941     344.787     380.000      14.213   10 
+    320000       64000.00      40.460      -6.665      33.795   6.92 0.143 0.333 0.197 1.760     367.073     380.000      10.330   10 
+    330000       66000.00      51.958      13.450      65.408   6.36 0.000   NaN   NaN 3.393     471.391     380.000       9.963   10 
+    340000       68000.00      34.881      -9.472      25.409   7.24 0.071 0.800 0.209 2.642     316.457     380.000       8.708   10 
+    350000       70000.00      37.554       2.327      39.881   4.42 0.071 0.500 0.136 1.859     340.710     380.000       9.646   10 
+    360000       72000.00      36.030       0.085      36.115   7.15 0.000   NaN   NaN 2.709     326.885     380.000      11.704   10 
+    370000       74000.00      38.496       7.391      45.886   9.03 0.000   NaN   NaN 1.796     349.252     380.000      12.687   10 
+    380000       76000.00      37.155     -15.702      21.452   6.80 0.143 0.667 0.379 2.037     337.087     380.000       7.575   10 
+    390000       78000.00      43.989      -4.173      39.817   7.02 0.071 0.875 0.375 2.674     399.093     380.000       7.959   10 
+    400000       80000.00      36.381       4.395      40.776   9.00 0.000   NaN   NaN 1.797     330.068     380.000      12.967   10 
+    410000       82000.00      43.832      -6.559      37.274   6.11 0.000 1.000 0.341 1.351     397.669     400.000      10.134   10 
+    420000       84000.00      47.570       4.997      52.567   7.27 0.000   NaN   NaN 1.203     431.582     400.000      11.120   10 
+    430000       86000.00      37.735       0.458      38.192   5.66 0.071 0.833 0.341 1.324     342.348     400.000       7.287   10 
+    440000       88000.00      37.503      12.151      49.653   5.56 0.071 0.667 0.303 1.553     340.242     400.000       8.601   10 
+    450000       90000.00      31.394      13.819      45.213  10.70 0.071 0.500 0.136 1.157     284.819     400.000      13.687   10 
+    460000       92000.00      35.945       5.253      41.198   5.75 0.000 1.000 0.530 1.861     326.112     400.000       9.640   10 
+    470000       94000.00      34.083       4.427      38.510   7.51 0.071 0.500 0.227 2.705     309.220     400.000      11.601   10 
+    480000       96000.00      52.316       6.296      58.613   8.31 0.071 0.000 0.136 1.891     474.641     400.000      12.839   10 
+    490000       98000.00      38.415      -2.494      35.921   7.54 0.000   NaN   NaN 1.909     348.525     400.000      11.418   10 
+    500000      100000.00      39.402       9.272      48.675   7.98 0.143 0.000 0.136 1.506     357.476     400.000      12.347   10 
+    510000      102000.00      38.338      -2.030      36.309   5.15 0.000   NaN   NaN 1.660     347.825     390.000      10.074   10 
+    520000      104000.00      39.754      10.336      50.090   6.49 0.071 0.750 0.250 1.308     360.673     390.000       8.499   10 
+    530000      106000.00      39.354       7.236      46.590   7.64 0.000 1.000 0.136 2.743     357.042     390.000       9.913   10 
+    540000      108000.00      39.483      -3.328      36.155   5.60 0.143 0.600 0.318 1.882     358.209     390.000       7.406   10 
+    550000      110000.00      38.591      -4.331      34.260   8.42 0.000 1.000 0.264 2.101     350.117     390.000       9.983   10 
+    560000      112000.00      32.990       0.513      33.503   9.46 0.000 1.000 0.182 2.088     299.303     390.000      13.092   10 
+    570000      114000.00      34.825       3.301      38.126   7.77 0.000 1.000 0.136 3.096     315.949     390.000      11.787   10 
+    580000      116000.00      23.560       1.378      24.938   5.83 0.071 0.875 0.449 1.085     213.751     390.000       7.899   10 
+    590000      118000.00      41.687      -0.231      41.455   8.64 0.000 1.000 0.205 1.113     378.204     390.000      11.921   10 
+    600000      120000.00      34.399      -9.760      24.639   6.33 0.000 1.000 0.250 1.582     312.082     390.000       7.730   10 
+    610000      122000.00      50.787       5.865      56.652   6.38 0.071 0.667 0.409 1.744     460.762     380.000       8.553   10 
+    620000      124000.00      39.985      -3.011      36.974   6.25 0.071 0.667 0.167 0.789     362.769     380.000       9.541   10 
+    630000      126000.00      41.284      -0.441      40.844  11.46 0.000   NaN   NaN 1.149     374.552     380.000      14.704   10 
+    640000      128000.00      36.479       1.148      37.627   8.04 0.071 0.000 0.182 1.902     330.959     380.000      11.538   10 
+    650000      130000.00      37.294       2.109      39.403   6.40 0.214 0.250 0.170 1.573     338.347     380.000      10.616   10 
+    660000      132000.00      39.611      -2.088      37.523   6.24 0.143 0.333 0.242 2.214     359.369     380.000       9.924   10 
+    670000      134000.00      31.018       6.549      37.567  10.20 0.000 1.000 0.136 1.138     281.409     380.000      13.999   10 
+    680000      136000.00      37.711       3.990      41.702   6.92 0.000 1.000 0.136 3.167     342.138     380.000      11.407   10 
+    690000      138000.00      36.798       3.345      40.143   8.72 0.071 0.500 0.205 2.131     333.852     380.000      10.235   10 
+    700000      140000.00      49.302      -0.271      49.031   4.52 0.143 0.750 0.335 1.592     447.295     380.000       7.674   10 
+    710000      142000.00      35.633      -3.257      32.376   7.07 0.000   NaN   NaN 1.682     323.278     370.000       9.272   10 
+    720000      144000.00      28.790      -3.009      25.782   8.11 0.071 0.000 0.136 2.419     261.200     370.000      12.506   10 
+    730000      146000.00      43.301      -3.002      40.299   5.93 0.071 0.000 0.136 3.258     392.851     370.000       9.279   10 
+    740000      148000.00      46.787       5.097      51.884   6.57 0.000   NaN   NaN 2.187     424.478     370.000      11.172   10 
+    750000      150000.00      37.193       2.569      39.763   5.56 0.071 0.500 0.273 2.212     337.437     370.000       9.024   10 
+    760000      152000.00      36.436       0.448      36.884   5.86 0.071 0.667 0.636 2.877     330.566     370.000       8.663   10 
+    770000      154000.00      35.834       2.730      38.564  10.57 0.143 0.333 0.167 2.177     325.106     370.000      13.140   10 
+    780000      156000.00      45.937       5.383      51.320   5.67 0.143 0.333 0.258 2.822     416.762     370.000       9.955   10 
+    790000      158000.00      30.566      -2.797      27.769   6.44 0.071 0.667 0.394 2.701     277.310     370.000       7.883   10 
+    800000      160000.00      33.918       1.521      35.439   6.59 0.000 1.000 0.409 2.852     307.722     370.000       9.991   10 
+    810000      162000.00      36.948       8.630      45.578   7.26 0.000 1.000 0.212 3.286     335.215     390.000       8.788   10 
+    820000      164000.00      38.577      12.024      50.601   4.82 0.071 0.750 0.557 2.079     349.995     390.000       7.971   10 
+    830000      166000.00      36.643       1.388      38.032   9.85 0.000 1.000 0.182 1.445     332.448     390.000      13.248   10 
+    840000      168000.00      38.750       0.323      39.073   6.52 0.000   NaN   NaN 2.680     351.561     390.000       8.497   10 
+    850000      170000.00      29.413       4.521      33.934   5.67 0.000 1.000 0.409 2.634     266.852     390.000      10.344   10 
+    860000      172000.00      35.261       8.531      43.793  10.27 0.071 0.000 0.136 1.652     319.908     390.000      13.289   10 
+    870000      174000.00      36.095      -5.492      30.603   6.96 0.000   NaN   NaN 1.578     327.475     390.000      12.112   10 
+    880000      176000.00      36.975      -1.730      35.245   7.27 0.071 0.500 0.159 1.592     335.457     390.000      11.210   10 
+    890000      178000.00      28.667      11.473      40.140   5.92 0.000   NaN   NaN 3.781     260.083     390.000       9.272   10 
+    900000      180000.00      32.640      -2.332      30.309   7.63 0.000   NaN   NaN 1.064     296.129     390.000      11.876   10 
+    910000      182000.00      28.315     -19.661       8.654   5.75 0.214 0.667 0.318 2.474     256.892     380.000       7.468   10 
+    920000      184000.00      37.745      -5.996      31.749   5.62 0.143 0.600 0.536 3.284     342.441     380.000       8.169   10 
+    930000      186000.00      47.344      -9.414      37.930   7.10 0.071 0.750 0.239 2.543     429.530     380.000       9.102   10 
+    940000      188000.00      36.624      -2.760      33.864   7.18 0.000 1.000 0.182 1.240     332.271     380.000      10.003   10 
+    950000      190000.00      34.382      -5.683      28.699   6.02 0.143 0.333 0.136 0.634     311.930     380.000       9.272   10 
+    960000      192000.00      35.553       5.004      40.557   9.91 0.071 0.000 0.136 1.019     322.559     380.000      13.283   10 
+    970000      194000.00      40.803      -8.926      31.877   8.68 0.000 1.000 0.205 1.764     370.188     380.000      11.649   10 
+    980000      196000.00      35.636      15.182      50.818   7.94 0.000 1.000 0.182 3.245     323.309     380.000      11.634   10 
+    990000      198000.00      35.112      -3.502      31.610   7.48 0.071 0.667 0.212 1.650     318.550     380.000      10.781   10 
+   1000000      200000.00      36.190     -12.229      23.960   6.47 0.071 0.667 0.470 2.261     328.331     380.000       7.964   10 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB011.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB011.stat
index 9c325df..d3f46d8 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB011.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB011.stat
@@ -1,101 +1,101 @@
          0           0.00      43.968      24.569      68.538  12.87 0.000   NaN   NaN 0.709     398.905     360.000      15.552   11 
-     10000        2000.00      36.663      -0.320      36.343   8.17 0.000 1.000 0.182 0.694     332.626     360.000      12.166   11 
-     20000        4000.00      36.806      -1.514      35.291  11.67 0.000   NaN   NaN 2.861     333.919     360.000      14.867   11 
-     30000        6000.00      37.122     -12.609      24.513   7.95 0.000 1.000 0.136 2.272     336.791     360.000      10.863   11 
-     40000        8000.00      43.717      -0.315      43.401   5.84 0.143 0.667 0.326 1.385     396.620     360.000       7.222   11 
-     50000       10000.00      30.811      -3.266      27.545   7.50 0.000 1.000 0.432 3.485     279.538     360.000       8.868   11 
-     60000       12000.00      37.267     -18.678      18.590   6.16 0.071 0.857 0.286 1.015     338.108     360.000       8.619   11 
-     70000       14000.00      35.611       0.786      36.397   9.39 0.000 1.000 0.227 1.375     323.082     360.000      12.500   11 
-     80000       16000.00      40.904      -8.212      32.692   5.36 0.000 1.000 0.555 1.110     371.107     360.000       8.591   11 
-     90000       18000.00      37.541       3.646      41.187   9.26 0.071 0.000 0.136 1.377     340.593     360.000      12.192   11 
-    100000       20000.00      36.383      -1.421      34.962   5.01 0.143 0.667 0.409 1.191     330.081     360.000       8.828   11 
-    110000       22000.00      33.628      -5.082      28.547   7.29 0.071 0.000 0.136 0.984     305.095     350.000      12.248   11 
-    120000       24000.00      31.514      -0.382      31.131   5.00 0.000 1.000 0.318 2.513     285.909     350.000       8.962   11 
-    130000       26000.00      31.507      -0.097      31.410   7.97 0.000   NaN   NaN 2.137     285.847     350.000      10.988   11 
-    140000       28000.00      31.845       7.825      39.670   5.56 0.000   NaN   NaN 2.451     288.911     350.000      10.524   11 
-    150000       30000.00      23.759      -5.149      18.610   5.16 0.071 0.750 0.443 1.629     215.551     350.000       8.327   11 
-    160000       32000.00      31.141      -5.893      25.248   9.26 0.000 1.000 0.250 1.728     282.523     350.000      11.449   11 
-    170000       34000.00      33.516       1.258      34.774   6.23 0.000   NaN   NaN 1.431     304.076     350.000      10.033   11 
-    180000       36000.00      28.317      -0.283      28.034   6.74 0.071 0.000 0.136 1.271     256.903     350.000       8.740   11 
-    190000       38000.00      30.394      -4.367      26.027   6.14 0.000 1.000 0.182 1.102     275.746     350.000       8.760   11 
-    200000       40000.00      28.200      -1.293      26.906   6.16 0.000 1.000 0.227 1.951     255.841     350.000       9.455   11 
-    210000       42000.00      30.673       0.874      31.546   5.60 0.143 0.600 0.364 1.564     278.280     340.000       9.431   11 
-    220000       44000.00      31.007     -28.144       2.864   5.08 0.143 0.750 0.250 0.800     281.314     340.000       7.141   11 
-    230000       46000.00      39.415     -14.373      25.042   7.12 0.143 0.750 0.244 2.489     357.590     340.000       7.588   11 
-    240000       48000.00      38.650     -26.150      12.500   6.29 0.071 0.875 0.307 1.873     350.653     340.000       7.038   11 
-    250000       50000.00      34.777     -11.137      23.640   9.02 0.071 0.667 0.182 1.359     315.515     340.000      12.772   11 
-    260000       52000.00      30.300      -6.290      24.010   6.16 0.071 0.833 0.538 2.373     274.893     340.000       7.629   11 
-    270000       54000.00      37.787      -7.380      30.407   7.18 0.071 0.750 0.420 3.255     342.820     340.000       8.067   11 
-    280000       56000.00      35.958      -3.771      32.188   7.78 0.000 1.000 0.136 2.788     326.231     340.000      11.425   11 
-    290000       58000.00      31.730      -4.092      27.639   8.35 0.143 0.000 0.136 0.995     287.874     340.000      12.083   11 
-    300000       60000.00      26.085      -3.863      22.222   6.22 0.000 1.000 0.591 1.791     236.654     340.000       7.892   11 
-    310000       62000.00      41.932      -8.532      33.400   6.31 0.071 0.875 0.301 1.712     380.426     340.000       8.302   11 
-    320000       64000.00      35.016       4.174      39.190   5.43 0.071 0.500 0.136 3.554     317.686     340.000       8.312   11 
-    330000       66000.00      31.329     -22.281       9.048   4.20 0.214 0.400 0.364 1.696     284.230     340.000       7.713   11 
-    340000       68000.00      46.926      -0.966      45.961   7.28 0.000 1.000 0.136 1.811     425.741     340.000      12.403   11 
-    350000       70000.00      34.098     -11.847      22.250   5.57 0.000 1.000 0.216 1.607     309.351     340.000       8.425   11 
-    360000       72000.00      31.254      -5.606      25.648   5.84 0.143 0.600 0.264 2.059     283.552     340.000       9.213   11 
-    370000       74000.00      31.092       1.253      32.346   6.13 0.000 1.000 0.333 2.298     282.086     340.000       7.353   11 
-    380000       76000.00      38.390      -3.129      35.261  10.11 0.071 0.500 0.182 1.254     348.294     340.000      13.282   11 
-    390000       78000.00      27.846       0.986      28.833   6.03 0.000 1.000 0.614 1.698     252.636     340.000       7.532   11 
-    400000       80000.00      33.419       5.299      38.718  10.78 0.000   NaN   NaN 2.748     303.195     340.000      15.054   11 
-    410000       82000.00      36.824       1.882      38.706   6.64 0.000 1.000 0.159 1.622     334.090     400.000      10.947   11 
-    420000       84000.00      32.039      -7.551      24.489   5.50 0.071 0.500 0.409 2.211     290.678     400.000       9.446   11 
-    430000       86000.00      45.756      -5.877      39.879   6.89 0.000 1.000 0.136 1.340     415.122     400.000      11.419   11 
-    440000       88000.00      35.944      -2.868      33.076  10.27 0.071 0.000 0.182 1.229     326.102     400.000      12.596   11 
-    450000       90000.00      34.873       8.898      43.771   6.53 0.000 1.000 0.364 1.663     316.387     400.000       8.287   11 
-    460000       92000.00      49.704      13.295      62.999   6.26 0.071 0.667 0.197 1.491     450.940     400.000       9.345   11 
-    470000       94000.00      48.003      13.803      61.806  10.94 0.000   NaN   NaN 2.005     435.512     400.000      14.649   11 
-    480000       96000.00      44.515       2.125      46.640   9.45 0.000 1.000 0.182 1.049     403.859     400.000      11.823   11 
-    490000       98000.00      39.820       3.109      42.929  12.97 0.000   NaN   NaN 1.648     361.271     400.000      16.452   11 
-    500000      100000.00      47.053       7.934      54.987   5.52 0.000 1.000 0.636 1.980     426.892     400.000       8.845   11 
-    510000      102000.00      47.895      -3.190      44.704   5.96 0.000   NaN   NaN 1.029     434.525     390.000       9.288   11 
-    520000      104000.00      36.635      -3.638      32.997   5.01 0.000   NaN   NaN 0.973     332.373     390.000       9.961   11 
-    530000      106000.00      40.160      13.398      53.559   5.84 0.071 0.500 0.205 1.056     364.353     390.000       9.041   11 
-    540000      108000.00      37.390       0.352      37.742   7.68 0.000   NaN   NaN 2.618     339.221     390.000      12.518   11 
-    550000      110000.00      44.378       7.735      52.113   7.15 0.071 0.667 0.152 1.070     402.621     390.000      10.996   11 
-    560000      112000.00      37.975     -11.933      26.042   4.04 0.071 0.750 0.443 1.411     344.532     390.000       7.938   11 
-    570000      114000.00      36.583       2.579      39.162   5.87 0.000 1.000 0.182 3.295     331.903     390.000       9.899   11 
-    580000      116000.00      37.718       2.514      40.232   5.78 0.071 0.750 0.648 1.306     342.194     390.000       9.194   11 
-    590000      118000.00      41.380       0.978      42.358   7.29 0.000   NaN   NaN 1.189     375.425     390.000      11.198   11 
-    600000      120000.00      31.599      12.608      44.207   5.03 0.071 0.000 0.136 1.938     286.684     390.000       9.409   11 
-    610000      122000.00      36.614      -3.583      33.031   4.88 0.143 0.667 0.455 1.882     332.178     380.000       8.131   11 
-    620000      124000.00      36.150     -10.712      25.438   7.44 0.000 1.000 0.227 2.245     327.975     380.000      11.611   11 
-    630000      126000.00      30.778      -6.703      24.075   7.37 0.000 1.000 0.182 1.262     279.237     380.000      10.586   11 
-    640000      128000.00      38.901       3.295      42.196   5.65 0.143 0.500 0.568 2.012     352.931     380.000       7.476   11 
-    650000      130000.00      41.109       1.667      42.776   6.37 0.000 1.000 0.432 1.649     372.961     380.000      10.298   11 
-    660000      132000.00      34.320      -9.848      24.471  13.42 0.000   NaN   NaN 0.848     311.365     380.000      16.577   11 
-    670000      134000.00      48.077      -4.796      43.281   8.01 0.071 0.500 0.136 2.301     436.178     380.000      12.249   11 
-    680000      136000.00      39.577      -2.183      37.394   5.40 0.000 1.000 0.391 1.733     359.061     380.000       7.952   11 
-    690000      138000.00      29.377       4.376      33.753   6.40 0.071 0.800 0.245 1.477     266.522     380.000       8.155   11 
-    700000      140000.00      39.940      -0.134      39.806   5.57 0.000 1.000 0.227 1.659     362.355     380.000       9.866   11 
-    710000      142000.00      28.832      -9.259      19.573   5.50 0.071 0.857 0.344 2.429     261.576     370.000       8.090   11 
-    720000      144000.00      39.954      -0.254      39.700   6.20 0.143 0.333 0.167 2.369     362.486     370.000       8.415   11 
-    730000      146000.00      33.481      12.282      45.763   8.77 0.000 1.000 0.303 0.948     303.755     370.000      10.905   11 
-    740000      148000.00      38.795       5.018      43.813   8.82 0.000   NaN   NaN 2.655     351.969     370.000      13.158   11 
-    750000      150000.00      31.164      -1.039      30.125   5.33 0.071 0.857 0.383 1.963     282.735     370.000       7.749   11 
-    760000      152000.00      27.139       4.590      31.729  10.72 0.071 0.000 0.136 1.293     246.221     370.000      13.671   11 
-    770000      154000.00      33.599       1.670      35.269   5.46 0.143 0.000 0.159 2.236     304.831     370.000       9.632   11 
-    780000      156000.00      36.466       5.656      42.123   6.46 0.000   NaN   NaN 1.668     330.841     370.000       8.831   11 
-    790000      158000.00      29.757      -8.207      21.550   5.47 0.000 1.000 0.364 1.967     269.972     370.000       8.678   11 
-    800000      160000.00      43.499      -3.257      40.242   7.28 0.071 0.800 0.255 1.498     394.646     370.000       9.711   11 
-    810000      162000.00      33.764     -12.331      21.433   7.86 0.071 0.000 0.136 1.404     306.321     360.000      12.226   11 
-    820000      164000.00      39.045      -6.488      32.557   6.00 0.071 0.500 0.432 0.963     354.239     360.000       7.988   11 
-    830000      166000.00      34.223      -3.128      31.095   6.15 0.000 1.000 0.466 1.150     310.491     360.000       9.258   11 
-    840000      168000.00      41.774       7.573      49.347   5.37 0.000   NaN   NaN 1.915     378.995     360.000       9.527   11 
-    850000      170000.00      29.654      -8.632      21.022   9.79 0.071 0.500 0.136 1.612     269.040     360.000      13.301   11 
-    860000      172000.00      38.273      -6.134      32.139   8.50 0.071 0.000 0.136 2.437     347.236     360.000      12.249   11 
-    870000      174000.00      31.932     -11.428      20.503  11.02 0.000 1.000 0.273 1.760     289.700     360.000      14.599   11 
-    880000      176000.00      43.533      -3.095      40.437   5.63 0.000 1.000 0.303 1.993     394.950     360.000       8.735   11 
-    890000      178000.00      36.341     -11.302      25.038   5.47 0.143 0.500 0.148 3.048     329.700     360.000       9.435   11 
-    900000      180000.00      35.389       1.763      37.152   5.19 0.143 0.333 0.167 1.789     321.071     360.000       9.016   11 
-    910000      182000.00      38.559      -0.777      37.782   7.05 0.000   NaN   NaN 1.143     349.824     350.000      11.445   11 
-    920000      184000.00      31.056      -4.285      26.772   4.08 0.143 0.333 0.212 1.375     281.758     350.000       9.143   11 
-    930000      186000.00      32.206      -3.482      28.724   6.26 0.000   NaN   NaN 3.244     292.192     350.000      10.167   11 
-    940000      188000.00      34.963      -9.318      25.645   4.34 0.214 0.400 0.318 1.262     317.203     350.000       7.962   11 
-    950000      190000.00      45.416      -3.521      41.895   5.14 0.143 0.000 0.159 0.856     412.038     350.000       9.653   11 
-    960000      192000.00      26.581      -5.859      20.723   6.12 0.214 0.500 0.371 1.579     241.161     350.000       7.659   11 
-    970000      194000.00      37.030      -1.775      35.255   6.65 0.071 0.000 0.136 2.378     335.959     350.000       9.984   11 
-    980000      196000.00      33.421      -4.233      29.188   9.62 0.000   NaN   NaN 2.656     303.209     350.000      13.257   11 
-    990000      198000.00      34.404       5.862      40.266  10.06 0.000 1.000 0.273 4.333     312.129     350.000      13.531   11 
-   1000000      200000.00      32.894     -15.051      17.843   6.93 0.143 0.333 0.152 1.772     298.432     350.000      11.109   11 
+     10000        2000.00      35.584     -12.573      23.011   7.23 0.214 0.400 0.155 1.521     322.837     360.000      10.982   11 
+     20000        4000.00      37.695      -4.975      32.720   5.84 0.071 0.750 0.307 3.189     341.991     360.000       8.012   11 
+     30000        6000.00      34.298       9.855      44.153   4.62 0.000 1.000 0.136 5.556     311.166     360.000       9.055   11 
+     40000        8000.00      41.327      -4.471      36.856   5.91 0.071 0.750 0.295 1.240     374.940     360.000       9.541   11 
+     50000       10000.00      33.686     -13.036      20.650   7.50 0.071 0.500 0.295 2.332     305.613     360.000       9.093   11 
+     60000       12000.00      30.832      -6.806      24.026   6.61 0.214 0.500 0.197 1.576     279.728     360.000       9.152   11 
+     70000       14000.00      36.974     -16.304      20.670   4.53 0.071 0.800 0.336 1.660     335.446     360.000       7.535   11 
+     80000       16000.00      33.447       3.705      37.153   4.65 0.071 0.667 0.364 0.973     303.451     360.000       9.127   11 
+     90000       18000.00      38.659     -14.301      24.359   5.46 0.071 0.750 0.216 0.836     350.739     360.000       8.661   11 
+    100000       20000.00      34.982      -7.748      27.234   5.27 0.000 1.000 0.727 2.010     317.376     360.000       9.105   11 
+    110000       22000.00      33.288     -14.933      18.355   6.19 0.071 0.875 0.318 1.608     302.010     350.000       9.422   11 
+    120000       24000.00      29.726     -12.339      17.387   4.47 0.286 0.333 0.447 2.402     269.693     350.000       7.861   11 
+    130000       26000.00      33.299      -1.795      31.504   6.94 0.071 0.800 0.473 2.016     302.103     350.000       8.605   11 
+    140000       28000.00      38.257      -4.776      33.481   6.56 0.143 0.500 0.216 1.765     347.085     350.000      11.062   11 
+    150000       30000.00      28.885      -0.798      28.087   8.77 0.000   NaN   NaN 1.175     262.060     350.000      11.464   11 
+    160000       32000.00      33.406      -7.776      25.631   5.79 0.000 1.000 0.432 1.318     303.078     350.000       8.606   11 
+    170000       34000.00      34.617     -12.522      22.095   6.45 0.143 0.000 0.159 1.219     314.063     350.000       9.373   11 
+    180000       36000.00      30.754     -18.379      12.376   6.13 0.071 0.833 0.212 0.977     279.020     350.000       9.397   11 
+    190000       38000.00      35.918     -11.426      24.492   5.59 0.071 0.833 0.348 1.888     325.863     350.000       8.014   11 
+    200000       40000.00      25.218      -0.579      24.638   5.86 0.000 1.000 0.527 1.241     228.789     350.000       8.598   11 
+    210000       42000.00      32.995     -21.353      11.642   6.12 0.214 0.571 0.266 1.058     299.349     340.000       8.049   11 
+    220000       44000.00      33.489     -12.692      20.797   5.07 0.214 0.571 0.253 1.856     303.831     340.000       7.447   11 
+    230000       46000.00      37.275      -8.497      28.778   4.57 0.071 0.833 0.447 2.560     338.180     340.000       8.712   11 
+    240000       48000.00      36.970     -17.462      19.508   6.96 0.286 0.556 0.207 1.735     335.410     340.000       8.006   11 
+    250000       50000.00      35.088      -3.444      31.644   6.56 0.143 0.000 0.159 2.091     318.339     340.000      10.421   11 
+    260000       52000.00      37.707      10.852      48.559   8.72 0.071 0.000 0.136 2.058     342.095     340.000      11.122   11 
+    270000       54000.00      35.058     -17.596      17.462   6.03 0.214 0.571 0.364 2.700     318.066     340.000       7.480   11 
+    280000       56000.00      35.102     -12.476      22.626   4.79 0.071 0.750 0.455 1.239     318.463     340.000       7.893   11 
+    290000       58000.00      32.689      -9.121      23.568   6.34 0.071 0.800 0.245 2.702     296.574     340.000       8.175   11 
+    300000       60000.00      29.652      -9.803      19.849   5.25 0.214 0.500 0.492 2.616     269.022     340.000       8.347   11 
+    310000       62000.00      52.001     -17.582      34.419   5.39 0.071 0.800 0.418 1.159     471.779     350.000       9.303   11 
+    320000       64000.00      38.921     -10.094      28.827   7.95 0.143 0.600 0.200 3.510     353.113     350.000       9.762   11 
+    330000       66000.00      31.903       2.852      34.754  10.22 0.071 0.000 0.136 1.011     289.437     350.000      13.068   11 
+    340000       68000.00      42.295      -3.846      38.449   6.21 0.214 0.571 0.188 2.211     383.723     350.000       9.873   11 
+    350000       70000.00      29.252       6.711      35.963   5.62 0.071 0.000 0.136 2.005     265.388     350.000       8.705   11 
+    360000       72000.00      35.570      -9.202      26.367   6.09 0.000 1.000 0.250 1.257     322.708     350.000       9.098   11 
+    370000       74000.00      39.065       7.412      46.477   6.24 0.071 0.667 0.591 2.183     354.421     350.000       9.974   11 
+    380000       76000.00      39.222      -1.492      37.730   6.06 0.000 1.000 0.159 1.507     355.842     350.000       9.631   11 
+    390000       78000.00      24.726       6.459      31.185   8.77 0.071 0.500 0.136 2.857     224.325     350.000      12.510   11 
+    400000       80000.00      34.310      -5.320      28.990  10.04 0.000   NaN   NaN 2.812     311.281     350.000      13.225   11 
+    410000       82000.00      33.166      -3.606      29.560  11.41 0.000   NaN   NaN 1.872     300.897     340.000      15.008   11 
+    420000       84000.00      26.874      -2.182      24.692   6.30 0.000 1.000 0.182 2.727     243.813     340.000       9.947   11 
+    430000       86000.00      40.828      -2.423      38.404   5.95 0.000   NaN   NaN 1.215     370.408     340.000       8.940   11 
+    440000       88000.00      29.008     -13.645      15.363   5.34 0.000 1.000 0.318 1.025     263.173     340.000       7.954   11 
+    450000       90000.00      25.726     -13.348      12.378   4.71 0.143 0.000 0.364 2.729     233.401     340.000       8.624   11 
+    460000       92000.00      36.201      -8.339      27.862   5.47 0.000 1.000 0.197 2.144     328.434     340.000       8.423   11 
+    470000       94000.00      36.322      -3.036      33.286   4.74 0.000 1.000 0.136 2.895     329.531     340.000       9.426   11 
+    480000       96000.00      35.693     -16.601      19.092   7.03 0.143 0.778 0.313 1.557     323.824     340.000       6.948   11 
+    490000       98000.00      31.102     -26.499       4.603   6.43 0.214 0.625 0.250 1.652     282.171     340.000       7.112   11 
+    500000      100000.00      38.495      -5.194      33.301   5.57 0.000   NaN   NaN 1.158     349.248     340.000       9.513   11 
+    510000      102000.00      42.307       9.865      52.172   8.41 0.143 0.000 0.136 2.113     383.832     400.000      12.589   11 
+    520000      104000.00      44.225      -9.117      35.108   8.41 0.071 0.500 0.136 1.756     401.235     400.000      11.335   11 
+    530000      106000.00      45.325       9.164      54.489  11.61 0.000 1.000 0.295 2.158     411.211     400.000      14.365   11 
+    540000      108000.00      30.400      10.648      41.048   8.03 0.071 0.500 0.182 1.979     275.805     400.000      10.895   11 
+    550000      110000.00      40.669       9.257      49.926   9.77 0.143 0.333 0.167 1.378     368.974     400.000      13.074   11 
+    560000      112000.00      41.734       0.228      41.962   7.00 0.000   NaN   NaN 1.826     378.630     400.000      11.126   11 
+    570000      114000.00      37.361      20.704      58.064  10.31 0.071 0.000 0.182 1.400     338.956     400.000      13.904   11 
+    580000      116000.00      41.667      -7.570      34.097   7.77 0.143 0.333 0.136 1.106     378.026     400.000      12.053   11 
+    590000      118000.00      42.150       0.713      42.863   9.88 0.143 0.000 0.159 1.485     382.403     400.000      12.730   11 
+    600000      120000.00      35.175      16.637      51.812   8.22 0.000 1.000 0.227 2.300     319.126     400.000      11.165   11 
+    610000      122000.00      39.429       2.534      41.963   9.38 0.071 0.500 0.159 1.602     357.720     400.000      13.183   11 
+    620000      124000.00      42.618      -0.149      42.469   7.78 0.143 0.333 0.152 1.446     386.650     400.000      10.478   11 
+    630000      126000.00      35.378      -3.130      32.249   9.89 0.000 1.000 0.136 1.966     320.972     400.000      13.320   11 
+    640000      128000.00      43.344       9.346      52.690   6.35 0.000   NaN   NaN 1.923     393.242     400.000      10.169   11 
+    650000      130000.00      45.732       5.135      50.867   9.77 0.000   NaN   NaN 1.733     414.901     400.000      12.343   11 
+    660000      132000.00      37.826      -3.986      33.840   4.99 0.071 0.750 0.409 1.160     343.176     400.000       8.328   11 
+    670000      134000.00      44.542       0.227      44.769   8.21 0.000 1.000 0.136 1.673     404.110     400.000      11.882   11 
+    680000      136000.00      40.466       5.973      46.439   7.53 0.000 1.000 0.500 4.180     367.128     400.000      10.236   11 
+    690000      138000.00      31.531      19.912      51.443   7.49 0.000 1.000 0.182 3.071     286.064     400.000      11.466   11 
+    700000      140000.00      51.194       9.539      60.733  12.23 0.000   NaN   NaN 3.010     464.461     400.000      15.436   11 
+    710000      142000.00      31.531       4.110      35.641  10.53 0.000   NaN   NaN 2.065     286.066     400.000      13.896   11 
+    720000      144000.00      41.237       5.221      46.458   8.35 0.000 1.000 0.136 4.112     374.126     400.000      12.066   11 
+    730000      146000.00      27.200       1.612      28.812   5.19 0.143 0.333 0.318 1.165     246.770     400.000       9.193   11 
+    740000      148000.00      42.726      10.057      52.782   5.74 0.071 0.500 0.500 3.624     387.628     400.000      10.312   11 
+    750000      150000.00      39.004      -1.637      37.367   6.94 0.000 1.000 0.545 2.207     353.867     400.000       7.742   11 
+    760000      152000.00      30.592      12.059      42.650  10.85 0.000   NaN   NaN 2.277     277.543     400.000      14.376   11 
+    770000      154000.00      37.514       1.457      38.971   6.26 0.000 1.000 0.182 2.502     340.350     400.000       9.871   11 
+    780000      156000.00      33.279       8.930      42.209   7.58 0.071 0.500 0.250 4.928     301.921     400.000      11.087   11 
+    790000      158000.00      37.956      10.745      48.701   5.41 0.071 0.500 0.159 2.273     344.355     400.000       9.949   11 
+    800000      160000.00      37.794      10.787      48.581   8.96 0.071 0.500 0.182 2.165     342.885     400.000      12.592   11 
+    810000      162000.00      40.955      -5.388      35.567   9.88 0.000   NaN   NaN 1.412     371.563     400.000      13.755   11 
+    820000      164000.00      38.408       4.438      42.846   8.12 0.071 0.667 0.394 1.346     348.459     400.000      10.875   11 
+    830000      166000.00      47.266     -12.777      34.489   5.11 0.071 0.833 0.303 1.711     428.825     400.000       8.966   11 
+    840000      168000.00      46.058      15.234      61.292   7.41 0.071 0.000 0.136 2.632     417.861     400.000      11.272   11 
+    850000      170000.00      32.720       4.724      37.444   7.67 0.000 1.000 0.318 1.402     296.854     400.000      10.312   11 
+    860000      172000.00      43.858       4.299      48.157   5.85 0.000 1.000 0.227 3.297     397.900     400.000       9.678   11 
+    870000      174000.00      44.391      -5.190      39.201   8.98 0.000   NaN   NaN 3.420     402.736     400.000      13.643   11 
+    880000      176000.00      43.706       6.524      50.230   5.15 0.000 1.000 0.818 1.681     396.523     400.000       9.789   11 
+    890000      178000.00      43.907       5.554      49.461   9.90 0.000 1.000 0.182 1.716     398.345     400.000      12.564   11 
+    900000      180000.00      36.765      11.027      47.791   7.91 0.000 1.000 0.288 1.687     333.547     400.000      11.741   11 
+    910000      182000.00      40.655       3.324      43.979   5.55 0.071 0.000 0.773 0.916     368.841     390.000       9.863   11 
+    920000      184000.00      40.474      -3.526      36.948   5.53 0.000   NaN   NaN 1.297     367.203     390.000       9.470   11 
+    930000      186000.00      37.403      -7.271      30.133   5.26 0.071 0.750 0.545 2.349     339.343     390.000       9.295   11 
+    940000      188000.00      37.357      -0.934      36.423   5.24 0.071 0.500 0.364 1.028     338.923     390.000       9.488   11 
+    950000      190000.00      44.137       8.556      52.693  11.01 0.000   NaN   NaN 1.850     400.432     390.000      15.087   11 
+    960000      192000.00      35.774      -3.923      31.851   8.20 0.000 1.000 0.250 1.259     324.562     390.000      10.095   11 
+    970000      194000.00      43.804      -4.050      39.754   6.71 0.000 1.000 0.379 1.860     397.415     390.000       9.311   11 
+    980000      196000.00      34.359       4.937      39.296   8.61 0.000   NaN   NaN 1.602     311.722     390.000      12.830   11 
+    990000      198000.00      29.829      13.702      43.531   5.73 0.000   NaN   NaN 1.830     270.627     390.000      10.367   11 
+   1000000      200000.00      37.356      -4.593      32.763   8.15 0.000 1.000 0.242 1.638     338.911     390.000      10.119   11 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB012.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB012.stat
index 8f7d79d..aace3f5 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB012.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB012.stat
@@ -1,101 +1,101 @@
          0           0.00      27.576      24.554      52.130  12.87 0.000   NaN   NaN 0.711     250.183     370.000      15.552   12 
-     10000        2000.00      29.381       2.038      31.418  10.62 0.000   NaN   NaN 2.132     266.557     370.000      13.412   12 
-     20000        4000.00      33.179      13.580      46.758   6.12 0.000 1.000 0.341 2.882     301.014     370.000       7.960   12 
-     30000        6000.00      38.916      -1.247      37.669   5.66 0.000 1.000 0.455 2.547     353.066     370.000       7.626   12 
-     40000        8000.00      40.527       3.984      44.511   8.87 0.143 0.333 0.182 2.836     367.684     370.000      10.663   12 
-     50000       10000.00      43.951     -18.004      25.946   5.88 0.214 0.571 0.364 2.548     398.744     370.000       8.240   12 
-     60000       12000.00      33.626     -11.399      22.228   6.99 0.071 0.750 0.455 1.480     305.074     370.000       9.375   12 
-     70000       14000.00      45.671     -10.553      35.118   5.70 0.286 0.500 0.432 3.429     414.348     370.000       8.140   12 
-     80000       16000.00      43.646      -8.444      35.201   6.26 0.000 1.000 0.545 1.442     395.975     370.000       8.932   12 
-     90000       18000.00      29.865       5.111      34.977   5.34 0.000 1.000 0.205 2.033     270.953     370.000       9.260   12 
-    100000       20000.00      42.266     -10.716      31.551   5.95 0.000 1.000 0.205 1.676     383.461     370.000       8.411   12 
-    110000       22000.00      33.969     -11.823      22.146   2.79 0.500 0.300 0.273 3.421     308.184     360.000       7.479   12 
-    120000       24000.00      32.563       1.076      33.639   8.44 0.143 0.667 0.174 1.227     295.429     360.000      11.413   12 
-    130000       26000.00      33.042       3.071      36.113   5.18 0.000 1.000 0.341 1.692     299.775     360.000       8.986   12 
-    140000       28000.00      33.905       1.631      35.536   5.08 0.000   NaN   NaN 2.242     307.607     360.000       9.367   12 
-    150000       30000.00      27.425      -2.579      24.847   7.38 0.000 1.000 0.242 1.334     248.817     360.000      11.057   12 
-    160000       32000.00      36.183      -1.361      34.822   8.10 0.000 1.000 0.250 2.699     328.271     360.000      10.815   12 
-    170000       34000.00      47.558       5.042      52.601   6.65 0.000 1.000 0.449 0.855     431.473     360.000       8.158   12 
-    180000       36000.00      31.725     -19.593      12.132   5.54 0.286 0.556 0.434 1.480     287.825     360.000       8.067   12 
-    190000       38000.00      38.607       5.692      44.299   5.90 0.000 1.000 0.500 1.565     350.265     360.000       9.907   12 
-    200000       40000.00      41.527       8.413      49.940  10.79 0.071 0.000 0.136 2.465     376.755     360.000      14.854   12 
-    210000       42000.00      33.214       1.705      34.919   6.26 0.000 1.000 0.295 2.284     301.335     400.000      11.005   12 
-    220000       44000.00      47.162       4.978      52.140   7.29 0.000   NaN   NaN 3.972     427.879     400.000      10.635   12 
-    230000       46000.00      41.569      -9.149      32.420   7.04 0.000 1.000 0.636 2.062     377.131     400.000       9.963   12 
-    240000       48000.00      44.947      -1.593      43.354   6.66 0.143 0.333 0.167 1.958     407.784     400.000      10.695   12 
-    250000       50000.00      41.337       1.455      42.792   6.28 0.000 1.000 0.341 2.434     375.032     400.000       9.463   12 
-    260000       52000.00      43.528      -1.148      42.380   8.89 0.000   NaN   NaN 2.535     394.904     400.000      12.559   12 
-    270000       54000.00      46.176       9.648      55.824   7.95 0.071 0.667 0.167 1.937     418.935     400.000      11.605   12 
-    280000       56000.00      31.248       1.278      32.527   7.37 0.000 1.000 0.273 1.700     283.502     400.000      10.490   12 
-    290000       58000.00      30.189       4.140      34.328   4.39 0.214 0.400 0.173 1.624     273.888     400.000       8.328   12 
-    300000       60000.00      43.323      -1.426      41.897  10.45 0.000 1.000 0.227 2.722     393.047     400.000      13.198   12 
-    310000       62000.00      41.972       2.117      44.090   4.68 0.143 0.714 0.214 2.926     380.795     390.000       9.508   12 
-    320000       64000.00      38.471       4.548      43.019  12.44 0.071 0.000 0.136 1.360     349.030     390.000      16.109   12 
-    330000       66000.00      35.998     -11.045      24.953   4.87 0.214 0.700 0.377 3.265     326.594     390.000       7.390   12 
-    340000       68000.00      40.244       0.874      41.118   8.99 0.000   NaN   NaN 1.795     365.114     390.000      12.189   12 
-    350000       70000.00      34.448      -1.570      32.878   5.30 0.000 1.000 0.273 2.214     312.532     390.000       9.597   12 
-    360000       72000.00      29.328       5.089      34.417   6.12 0.000 1.000 0.545 2.569     266.083     390.000       9.709   12 
-    370000       74000.00      38.306       4.381      42.687   7.10 0.071 0.000 0.136 2.916     347.531     390.000      11.196   12 
-    380000       76000.00      38.468      -2.053      36.415   8.06 0.000 1.000 0.212 2.267     349.003     390.000      11.493   12 
-    390000       78000.00      35.831      -4.377      31.453  10.24 0.071 0.000 0.136 1.471     325.075     390.000      13.819   12 
-    400000       80000.00      40.212       0.128      40.340   5.98 0.000 1.000 0.250 0.893     364.827     390.000       8.874   12 
-    410000       82000.00      46.590     -10.218      36.371   7.17 0.000   NaN   NaN 0.940     422.686     380.000      10.792   12 
-    420000       84000.00      40.305      -1.716      38.589   5.54 0.000 1.000 0.136 2.454     365.666     380.000      10.013   12 
-    430000       86000.00      37.805      -0.991      36.814   7.21 0.000 1.000 0.386 1.337     342.987     380.000       7.763   12 
-    440000       88000.00      35.875      13.213      49.089   8.02 0.000 1.000 0.591 1.470     325.477     380.000      10.412   12 
-    450000       90000.00      39.515      10.358      49.873  11.94 0.000   NaN   NaN 1.573     358.503     380.000      15.058   12 
-    460000       92000.00      41.515      -0.376      41.139   8.15 0.000 1.000 0.227 1.360     376.645     380.000      11.237   12 
-    470000       94000.00      55.892      10.544      66.436  11.49 0.071 0.500 0.159 4.476     507.081     380.000      14.091   12 
-    480000       96000.00      40.490       3.465      43.955   7.95 0.000 1.000 0.409 1.582     367.348     380.000      11.435   12 
-    490000       98000.00      37.615       1.239      38.854   5.61 0.071 0.000 0.182 3.313     341.263     380.000       9.815   12 
-    500000      100000.00      32.199       4.335      36.534   5.59 0.071 0.500 0.136 2.125     292.128     380.000       9.490   12 
-    510000      102000.00      25.335      -1.287      24.048   6.31 0.071 0.500 0.136 3.183     229.854     370.000      10.336   12 
-    520000      104000.00      29.961      -7.725      22.236   5.31 0.000 1.000 0.534 2.199     271.821     370.000       8.977   12 
-    530000      106000.00      34.996      -6.967      28.029   5.51 0.000 1.000 0.464 1.552     317.498     370.000       8.062   12 
-    540000      108000.00      31.370     -12.030      19.340   5.48 0.143 0.667 0.303 1.799     284.601     370.000       7.740   12 
-    550000      110000.00      40.946      -0.725      40.221   9.90 0.000   NaN   NaN 1.302     371.485     370.000      14.076   12 
-    560000      112000.00      39.232      -3.100      36.132   6.37 0.071 0.500 0.295 3.278     355.936     370.000       9.427   12 
-    570000      114000.00      37.140      -3.678      33.462   5.25 0.071 0.667 0.530 2.494     336.951     370.000       8.009   12 
-    580000      116000.00      37.483       1.221      38.704   8.78 0.000 1.000 0.273 2.668     340.065     370.000      10.763   12 
-    590000      118000.00      34.273      18.617      52.890   6.46 0.071 0.000 0.136 2.751     310.943     370.000       9.294   12 
-    600000      120000.00      54.930      -1.323      53.607   5.45 0.000 1.000 0.636 2.006     498.351     370.000       9.852   12 
-    610000      122000.00      52.751       5.195      57.946   8.24 0.143 0.333 0.167 2.274     478.588     360.000      11.317   12 
-    620000      124000.00      31.748       5.128      36.875   5.04 0.071 0.000 0.136 1.772     288.033     360.000       8.998   12 
-    630000      126000.00      36.828     -15.842      20.986   5.15 0.143 0.600 0.327 3.247     334.124     360.000       7.312   12 
-    640000      128000.00      29.005      -3.496      25.509   6.77 0.071 0.750 0.193 1.231     263.148     360.000      10.258   12 
-    650000      130000.00      23.087       5.896      28.983  11.44 0.000   NaN   NaN 2.039     209.459     360.000      14.468   12 
-    660000      132000.00      36.954      -7.316      29.638   5.48 0.000 1.000 0.545 3.000     335.268     360.000       8.596   12 
-    670000      134000.00      34.006      -2.629      31.377   5.22 0.071 0.750 0.523 1.118     308.520     360.000       9.649   12 
-    680000      136000.00      29.761      -5.491      24.270   6.72 0.071 0.667 0.167 1.714     270.008     360.000      11.114   12 
-    690000      138000.00      38.037       1.622      39.659   7.78 0.000   NaN   NaN 2.155     345.089     360.000      11.177   12 
-    700000      140000.00      31.864      -5.189      26.675   5.16 0.000   NaN   NaN 2.228     289.085     360.000       9.745   12 
-    710000      142000.00      37.328       9.004      46.333   5.74 0.000 1.000 0.455 3.683     338.661     350.000       8.880   12 
-    720000      144000.00      35.409      -3.709      31.700   6.05 0.071 0.667 0.303 1.970     321.247     350.000       9.984   12 
-    730000      146000.00      38.792       9.118      47.910   7.20 0.071 0.000 0.136 1.235     351.938     350.000      10.319   12 
-    740000      148000.00      32.678     -16.691      15.987   8.21 0.000 1.000 0.341 1.323     296.472     350.000      12.312   12 
-    750000      150000.00      31.962       3.420      35.382   6.22 0.000 1.000 0.682 1.309     289.977     350.000       8.959   12 
-    760000      152000.00      34.232      -6.846      27.386   7.92 0.000   NaN   NaN 1.121     310.574     350.000      12.747   12 
-    770000      154000.00      32.099      -5.783      26.316  10.21 0.071 0.000 0.136 1.567     291.220     350.000      13.279   12 
-    780000      156000.00      29.657       1.490      31.147   8.96 0.071 0.000 0.182 5.115     269.065     350.000      12.761   12 
-    790000      158000.00      29.477      -3.058      26.418   4.46 0.071 0.500 0.386 4.841     267.427     350.000       9.020   12 
-    800000      160000.00      25.332      -3.288      22.043   5.13 0.071 0.000 0.136 2.213     229.820     350.000       9.157   12 
-    810000      162000.00      29.756      -8.007      21.749   6.61 0.071 0.833 0.280 2.382     269.958     350.000       9.462   12 
-    820000      164000.00      40.341      -7.089      33.251   4.72 0.000 1.000 0.742 1.604     365.992     350.000       8.764   12 
-    830000      166000.00      36.862      -5.513      31.349   5.74 0.071 0.900 0.600 2.785     334.433     350.000       7.376   12 
-    840000      168000.00      28.897      -6.917      21.980   6.87 0.000 1.000 0.273 1.378     262.166     350.000       8.877   12 
-    850000      170000.00      35.816       0.924      36.740   9.09 0.071 0.750 0.193 1.459     324.941     350.000      11.578   12 
-    860000      172000.00      24.315     -13.482      10.833   5.53 0.000   NaN   NaN 1.335     220.594     350.000       9.201   12 
-    870000      174000.00      38.642      -1.108      37.534   6.37 0.000 1.000 0.614 3.735     350.578     350.000       8.804   12 
-    880000      176000.00      38.857      -4.556      34.301   7.70 0.000 1.000 0.227 1.708     352.528     350.000      11.628   12 
-    890000      178000.00      30.547      -3.027      27.520   5.30 0.071 0.500 0.341 2.048     277.135     350.000       8.978   12 
-    900000      180000.00      41.941      -4.438      37.503   6.59 0.071 0.667 0.197 2.775     380.507     350.000      10.160   12 
-    910000      182000.00      34.961      -7.164      27.797   8.89 0.000 1.000 0.136 1.591     317.188     340.000      12.308   12 
-    920000      184000.00      32.623     -17.456      15.167   4.70 0.000 1.000 0.152 1.269     295.973     340.000       8.373   12 
-    930000      186000.00      31.271      -8.065      23.206   6.71 0.000 1.000 0.227 2.963     283.705     340.000       9.913   12 
-    940000      188000.00      32.386      -5.673      26.713   4.55 0.214 0.250 0.500 1.204     293.823     340.000       8.595   12 
-    950000      190000.00      29.666     -10.412      19.254   3.92 0.000   NaN   NaN 1.405     269.148     340.000       8.068   12 
-    960000      192000.00      22.025     -22.303      -0.278   6.08 0.143 0.600 0.400 1.466     199.820     340.000       7.066   12 
-    970000      194000.00      39.311     -17.411      21.900   3.89 0.214 0.700 0.364 1.486     356.648     340.000       8.093   12 
-    980000      196000.00      32.122     -11.634      20.488   5.59 0.071 0.889 0.404 2.389     291.424     340.000       7.858   12 
-    990000      198000.00      41.903     -19.274      22.629   4.72 0.143 0.600 0.327 1.900     380.164     340.000       8.156   12 
-   1000000      200000.00      27.220      -6.842      20.379   8.90 0.143 0.667 0.159 1.650     246.956     340.000      12.421   12 
+     10000        2000.00      30.441       1.699      32.139   6.21 0.000 1.000 0.409 0.971     276.172     370.000      10.861   12 
+     20000        4000.00      38.894      -2.136      36.758   4.99 0.143 0.750 0.403 2.731     352.868     370.000       7.897   12 
+     30000        6000.00      49.525      -6.207      43.317   6.09 0.000 1.000 0.432 2.917     449.313     370.000       7.296   12 
+     40000        8000.00      39.119      -4.986      34.133   5.38 0.000 1.000 0.341 2.080     354.910     370.000       9.222   12 
+     50000       10000.00      44.049       1.481      45.530   5.28 0.071 0.000 0.182 2.299     399.635     370.000       8.986   12 
+     60000       12000.00      31.014      -5.160      25.853   6.37 0.071 0.500 0.136 1.493     281.372     370.000      11.141   12 
+     70000       14000.00      45.908      -9.575      36.333   7.74 0.071 0.667 0.152 3.164     416.504     370.000       9.804   12 
+     80000       16000.00      51.006     -18.057      32.950   4.36 0.214 0.571 0.435 1.863     462.756     370.000       8.605   12 
+     90000       18000.00      36.459       1.727      38.186   9.64 0.000   NaN   NaN 2.809     330.774     370.000      13.421   12 
+    100000       20000.00      42.513     -17.054      25.458   4.78 0.143 0.750 0.375 3.043     385.696     370.000       8.328   12 
+    110000       22000.00      39.988      -2.383      37.605   8.31 0.071 0.750 0.159 1.674     362.789     360.000      10.405   12 
+    120000       24000.00      31.919     -14.296      17.622   6.36 0.071 0.857 0.331 2.689     289.582     360.000       8.195   12 
+    130000       26000.00      39.031      -8.999      30.032   4.81 0.214 0.400 0.309 1.728     354.106     360.000       8.075   12 
+    140000       28000.00      34.598     -16.712      17.886   4.11 0.286 0.429 0.260 1.253     313.894     360.000       8.131   12 
+    150000       30000.00      34.581      -3.974      30.606   6.45 0.000 1.000 0.273 1.237     313.734     360.000      10.689   12 
+    160000       32000.00      42.985      -0.426      42.560   7.84 0.000   NaN   NaN 3.050     389.985     360.000      12.364   12 
+    170000       34000.00      40.425      -1.604      38.821   7.97 0.143 0.333 0.167 3.193     366.755     360.000      10.658   12 
+    180000       36000.00      33.123      -5.194      27.930   7.88 0.071 0.667 0.182 1.084     300.512     360.000      11.761   12 
+    190000       38000.00      33.956       6.274      40.230   6.75 0.143 0.500 0.216 1.328     308.064     360.000       9.602   12 
+    200000       40000.00      45.784       6.273      52.057   7.26 0.000 1.000 0.159 3.227     415.378     360.000       9.922   12 
+    210000       42000.00      34.790      12.319      47.109   4.90 0.000   NaN   NaN 1.617     315.631     400.000      10.429   12 
+    220000       44000.00      39.428       4.447      43.875   6.90 0.000 1.000 0.371 2.227     357.711     400.000       7.683   12 
+    230000       46000.00      38.588       9.514      48.103   6.03 0.000   NaN   NaN 1.349     350.094     400.000      10.476   12 
+    240000       48000.00      45.160       5.301      50.461   7.67 0.000 1.000 0.245 1.720     409.715     400.000       9.182   12 
+    250000       50000.00      33.412      -0.809      32.603   6.29 0.071 0.800 0.327 1.792     303.128     400.000       9.243   12 
+    260000       52000.00      41.738      -3.839      37.899   7.16 0.071 0.500 0.136 2.008     378.666     400.000       9.072   12 
+    270000       54000.00      50.687       3.763      54.451   7.71 0.071 0.000 0.182 2.323     459.861     400.000      10.251   12 
+    280000       56000.00      31.373       5.584      36.958   4.55 0.071 0.500 0.545 1.516     284.634     400.000       8.672   12 
+    290000       58000.00      36.169      -5.551      30.618   5.26 0.000 1.000 0.530 3.889     328.147     400.000       9.029   12 
+    300000       60000.00      40.137       9.932      50.069   7.25 0.000   NaN   NaN 2.218     364.142     400.000      12.723   12 
+    310000       62000.00      44.740      -2.305      42.435   8.43 0.071 0.500 0.182 1.285     405.901     390.000      12.105   12 
+    320000       64000.00      33.812      13.877      47.690   5.90 0.143 0.500 0.375 1.328     306.763     390.000       7.927   12 
+    330000       66000.00      44.771       6.040      50.811   7.56 0.000 1.000 0.273 1.764     406.183     390.000      10.766   12 
+    340000       68000.00      44.233       2.560      46.793   6.39 0.000 1.000 0.500 3.718     401.302     390.000       9.379   12 
+    350000       70000.00      35.840      -0.388      35.452   8.88 0.000 1.000 0.182 1.948     325.155     390.000      12.194   12 
+    360000       72000.00      25.432       0.036      25.468   6.98 0.000 1.000 0.250 1.274     230.731     390.000      10.444   12 
+    370000       74000.00      39.907       1.425      41.331   9.13 0.000   NaN   NaN 1.603     362.053     390.000      12.311   12 
+    380000       76000.00      34.711       6.724      41.435   6.50 0.000 1.000 0.159 2.109     314.916     390.000      10.067   12 
+    390000       78000.00      42.204      -5.098      37.105   5.76 0.000   NaN   NaN 2.047     382.894     390.000       8.907   12 
+    400000       80000.00      35.241       8.420      43.661  12.19 0.000   NaN   NaN 1.914     319.720     390.000      15.839   12 
+    410000       82000.00      45.025       1.742      46.766   4.07 0.143 0.333 0.409 0.835     408.487     380.000       8.449   12 
+    420000       84000.00      40.517       4.371      44.888   8.04 0.071 0.000 0.136 2.371     367.593     380.000      11.257   12 
+    430000       86000.00      39.728       5.052      44.781   7.34 0.000 1.000 0.136 1.925     360.436     380.000      12.151   12 
+    440000       88000.00      39.174      -4.465      34.710   7.43 0.000 1.000 0.136 2.211     355.411     380.000      11.081   12 
+    450000       90000.00      38.623       7.835      46.458  11.19 0.000   NaN   NaN 1.459     350.407     380.000      14.452   12 
+    460000       92000.00      39.839       0.072      39.911   6.56 0.143 0.333 0.152 0.858     361.443     380.000       8.891   12 
+    470000       94000.00      50.711      -3.512      47.199   6.93 0.000 1.000 0.261 1.476     460.075     380.000       7.727   12 
+    480000       96000.00      40.860       5.447      46.307   8.58 0.143 0.600 0.191 4.013     370.706     380.000      10.385   12 
+    490000       98000.00      28.547      -7.256      21.291   7.65 0.000 1.000 0.273 2.001     258.993     380.000      10.989   12 
+    500000      100000.00      35.019       4.843      39.862   5.48 0.071 0.750 0.205 1.537     317.711     380.000       9.384   12 
+    510000      102000.00      33.234       2.143      35.377   7.77 0.000 1.000 0.273 1.178     301.518     370.000      11.258   12 
+    520000      104000.00      35.476     -13.173      22.302   5.21 0.214 0.500 0.364 1.093     321.853     370.000       7.864   12 
+    530000      106000.00      38.330      -6.437      31.893   5.70 0.071 0.500 0.477 1.493     347.752     370.000       9.903   12 
+    540000      108000.00      34.350      -6.636      27.714  11.30 0.071 0.500 0.159 1.260     311.644     370.000      13.892   12 
+    550000      110000.00      33.287       3.548      36.835  10.69 0.000 1.000 0.182 1.549     301.998     370.000      13.633   12 
+    560000      112000.00      37.545       1.814      39.359  10.22 0.000   NaN   NaN 1.182     340.631     370.000      14.914   12 
+    570000      114000.00      41.213       7.712      48.925   8.09 0.000 1.000 0.182 1.683     373.907     370.000       9.366   12 
+    580000      116000.00      38.725       4.669      43.394   4.96 0.000 1.000 0.273 1.079     351.332     370.000       9.687   12 
+    590000      118000.00      36.783       4.963      41.747   7.26 0.071 0.500 0.205 2.018     333.716     370.000       8.944   12 
+    600000      120000.00      47.929      10.129      58.058   5.06 0.000 1.000 0.485 1.947     434.839     370.000       7.386   12 
+    610000      122000.00      42.521      -2.681      39.839   9.41 0.000 1.000 0.136 2.360     385.771     360.000      12.519   12 
+    620000      124000.00      34.011     -11.941      22.070   5.37 0.000 1.000 0.331 1.549     308.564     360.000       7.361   12 
+    630000      126000.00      31.286     -16.746      14.539   6.34 0.071 0.800 0.355 1.486     283.839     360.000       7.990   12 
+    640000      128000.00      33.016       0.942      33.958  10.92 0.071 0.500 0.182 0.879     299.540     360.000      13.495   12 
+    650000      130000.00      29.327      -1.550      27.777   5.25 0.071 0.000 0.182 1.485     266.071     360.000       8.762   12 
+    660000      132000.00      42.735       9.916      52.651   7.03 0.000   NaN   NaN 1.751     387.715     360.000       9.382   12 
+    670000      134000.00      28.250      -7.978      20.272   7.71 0.071 0.833 0.356 1.672     256.298     360.000       9.165   12 
+    680000      136000.00      29.662      -3.074      26.588  10.03 0.000   NaN   NaN 1.485     269.108     360.000      13.415   12 
+    690000      138000.00      35.769      -8.233      27.536   5.94 0.000   NaN   NaN 1.737     324.517     360.000      11.220   12 
+    700000      140000.00      34.574      10.269      44.843  10.08 0.000 1.000 0.136 0.928     313.677     360.000      12.222   12 
+    710000      142000.00      36.689       2.268      38.957   7.80 0.000   NaN   NaN 1.955     332.864     350.000      10.965   12 
+    720000      144000.00      33.339       0.935      34.274  10.59 0.000   NaN   NaN 1.613     302.465     350.000      14.463   12 
+    730000      146000.00      40.101      -4.120      35.981   5.79 0.071 0.500 0.273 2.170     363.818     350.000       8.461   12 
+    740000      148000.00      26.179      -5.170      21.009   9.10 0.000   NaN   NaN 1.669     237.505     350.000      12.814   12 
+    750000      150000.00      33.581       3.317      36.897   7.02 0.000   NaN   NaN 2.784     304.661     350.000      12.350   12 
+    760000      152000.00      37.634     -13.396      24.238   5.98 0.000 1.000 0.273 1.510     341.437     350.000       9.788   12 
+    770000      154000.00      33.575       2.683      36.258  10.76 0.071 0.000 0.136 2.623     304.608     350.000      13.171   12 
+    780000      156000.00      28.930      -0.981      27.950   7.01 0.071 0.750 0.170 1.666     262.472     350.000      10.593   12 
+    790000      158000.00      28.264      -0.382      27.882   5.51 0.071 0.667 0.152 2.997     256.425     350.000       8.557   12 
+    800000      160000.00      29.794     -19.029      10.766   3.94 0.143 0.714 0.351 1.793     270.309     350.000       8.066   12 
+    810000      162000.00      27.077      -3.119      23.958   9.18 0.143 0.000 0.159 2.079     245.660     340.000      11.407   12 
+    820000      164000.00      35.221     -12.572      22.649   5.52 0.000   NaN   NaN 2.355     319.543     340.000      10.327   12 
+    830000      166000.00      35.472     -11.314      24.158   6.18 0.143 0.667 0.348 3.184     321.821     340.000       9.001   12 
+    840000      168000.00      31.147      -5.832      25.315   8.30 0.000 1.000 0.182 2.219     282.578     340.000      12.825   12 
+    850000      170000.00      32.128      -4.069      28.059  10.81 0.000   NaN   NaN 2.888     291.481     340.000      14.650   12 
+    860000      172000.00      28.526      -7.640      20.886   5.74 0.143 0.667 0.303 3.201     258.804     340.000       7.744   12 
+    870000      174000.00      42.097     -16.542      25.555   4.60 0.214 0.727 0.496 1.341     381.929     340.000       7.208   12 
+    880000      176000.00      41.996      -4.400      37.596   4.05 0.071 0.750 0.670 1.884     381.013     340.000       7.963   12 
+    890000      178000.00      30.668     -10.992      19.676   6.17 0.000 1.000 0.273 0.796     278.235     340.000       7.329   12 
+    900000      180000.00      41.216      -6.424      34.792   4.32 0.143 0.750 0.312 3.478     373.930     340.000       8.347   12 
+    910000      182000.00      31.714      -2.781      28.933   6.68 0.071 0.000 0.136 1.080     287.724     350.000      10.674   12 
+    920000      184000.00      32.961      -5.719      27.242   8.98 0.071 0.000 0.136 1.740     299.042     350.000      12.355   12 
+    930000      186000.00      33.974       3.874      37.847   8.02 0.000   NaN   NaN 1.811     308.225     350.000      12.547   12 
+    940000      188000.00      34.671      -3.328      31.343   9.86 0.000 1.000 0.303 1.411     314.554     350.000      12.253   12 
+    950000      190000.00      36.449      -8.489      27.960   5.60 0.000 1.000 0.394 1.736     330.682     350.000       7.852   12 
+    960000      192000.00      24.410     -18.978       5.432   6.38 0.071 0.500 0.364 1.706     221.458     350.000       7.775   12 
+    970000      194000.00      34.373      -6.191      28.182   6.22 0.000   NaN   NaN 1.287     311.849     350.000      11.138   12 
+    980000      196000.00      37.814      -9.678      28.137   5.01 0.143 0.714 0.448 0.993     343.072     350.000       8.614   12 
+    990000      198000.00      35.254      -0.163      35.091   5.98 0.071 0.000 0.136 1.788     319.845     350.000      11.026   12 
+   1000000      200000.00      27.627      -0.517      27.110   6.07 0.000 1.000 0.250 1.714     250.648     350.000       9.418   12 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB013.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
index 0f14dd2..978349a 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
@@ -1,101 +1,101 @@
          0           0.00      37.698      24.549      62.247  12.87 0.000   NaN   NaN 0.712     342.015     380.000      15.552   13 
-     10000        2000.00      43.252      -2.821      40.431   5.49 0.071 0.857 0.377 1.506     392.406     380.000       8.455   13 
-     20000        4000.00      35.657       3.247      38.904   6.74 0.000 1.000 0.409 2.700     323.502     380.000       9.177   13 
-     30000        6000.00      32.530       2.942      35.472   6.53 0.000 1.000 0.455 4.071     295.126     380.000       8.954   13 
-     40000        8000.00      37.032      -8.833      28.199   5.24 0.071 0.667 0.318 1.944     335.974     380.000       9.342   13 
-     50000       10000.00      34.271      10.536      44.806  10.46 0.000   NaN   NaN 1.757     310.922     380.000      14.183   13 
-     60000       12000.00      40.780      -5.701      35.080   4.31 0.071 0.000 0.182 1.637     369.981     380.000       7.989   13 
-     70000       14000.00      38.599       6.657      45.256   8.11 0.000   NaN   NaN 2.834     350.190     380.000      12.513   13 
-     80000       16000.00      35.449       8.768      44.217   8.97 0.000 1.000 0.182 1.112     321.608     380.000      11.100   13 
-     90000       18000.00      31.632       3.294      34.927   8.49 0.071 0.667 0.182 2.760     286.986     380.000      11.607   13 
-    100000       20000.00      28.622       1.548      30.170   5.57 0.143 0.750 0.267 1.374     259.677     380.000       8.339   13 
-    110000       22000.00      36.762       4.691      41.453   8.69 0.214 0.400 0.164 1.648     333.522     370.000      11.168   13 
-    120000       24000.00      42.801      -0.563      42.238  12.24 0.000   NaN   NaN 1.086     388.316     370.000      15.736   13 
-    130000       26000.00      30.194      -8.751      21.443   5.53 0.000 1.000 0.182 1.846     273.936     370.000       8.646   13 
-    140000       28000.00      36.690       0.185      36.875   4.71 0.286 0.600 0.314 1.375     332.873     370.000       7.391   13 
-    150000       30000.00      38.307       1.682      39.989   8.53 0.000   NaN   NaN 3.391     347.538     370.000      11.296   13 
-    160000       32000.00      40.042       2.510      42.552   5.60 0.000   NaN   NaN 1.622     363.277     370.000       9.123   13 
-    170000       34000.00      36.114       1.969      38.083   6.26 0.214 0.000 0.136 3.641     327.644     370.000      10.725   13 
-    180000       36000.00      36.674      -6.136      30.538   6.33 0.000 1.000 0.477 2.680     332.729     370.000       8.026   13 
-    190000       38000.00      32.256       2.518      34.773   4.26 0.214 0.500 0.348 2.736     292.642     370.000       7.926   13 
-    200000       40000.00      35.238       6.317      41.555  11.86 0.000   NaN   NaN 1.432     319.697     370.000      15.209   13 
-    210000       42000.00      32.078      -6.859      25.219   5.57 0.143 0.500 0.318 0.913     291.032     360.000       7.643   13 
-    220000       44000.00      27.528      -0.991      26.537   7.06 0.071 0.000 0.182 1.725     249.748     360.000      11.980   13 
-    230000       46000.00      32.086      -0.918      31.168  12.41 0.071 0.000 0.136 3.233     291.100     360.000      15.422   13 
-    240000       48000.00      39.598      -8.955      30.642   5.17 0.071 0.750 0.602 1.891     359.249     360.000       9.629   13 
-    250000       50000.00      37.464      -2.872      34.591   9.35 0.071 0.500 0.159 2.904     339.891     360.000      13.139   13 
-    260000       52000.00      34.281      -0.496      33.785   5.24 0.000 1.000 0.307 3.026     311.011     360.000       8.533   13 
-    270000       54000.00      30.752      -2.051      28.701   5.03 0.071 0.800 0.291 1.881     278.997     360.000       7.890   13 
-    280000       56000.00      36.013      -2.686      33.327   5.44 0.071 0.500 0.159 1.740     326.729     360.000       9.387   13 
-    290000       58000.00      39.407       0.604      40.011  10.56 0.071 0.500 0.159 2.072     357.518     360.000      14.242   13 
-    300000       60000.00      29.856       1.501      31.357   7.32 0.071 0.500 0.250 2.031     270.865     360.000      10.735   13 
-    310000       62000.00      37.983     -12.600      25.383   5.60 0.000 1.000 0.455 1.759     344.601     350.000       9.095   13 
-    320000       64000.00      31.102      -0.975      30.126   8.81 0.071 0.667 0.182 1.761     282.170     350.000      12.451   13 
-    330000       66000.00      37.029      -4.044      32.985   6.67 0.071 0.000 0.136 2.371     335.946     350.000       9.786   13 
-    340000       68000.00      31.865      -7.435      24.430   9.48 0.071 0.667 0.136 0.862     289.100     350.000      12.533   13 
-    350000       70000.00      29.801       0.292      30.093   6.52 0.143 0.333 0.409 1.931     270.368     350.000       8.435   13 
-    360000       72000.00      29.661      -5.636      24.025   5.07 0.214 0.400 0.309 3.847     269.104     350.000       8.626   13 
-    370000       74000.00      36.515     -14.098      22.417   8.45 0.071 0.500 0.136 2.084     331.286     350.000      12.047   13 
-    380000       76000.00      35.662      -3.033      32.629  10.81 0.071 0.500 0.182 1.087     323.543     350.000      13.674   13 
-    390000       78000.00      35.815     -11.326      24.490   8.77 0.071 0.000 0.182 1.368     324.936     350.000      12.821   13 
-    400000       80000.00      35.462      -2.757      32.705   9.25 0.000 1.000 0.227 1.773     321.732     350.000      12.554   13 
-    410000       82000.00      33.269      -4.516      28.753   8.33 0.000 1.000 0.182 1.934     301.833     340.000       9.969   13 
-    420000       84000.00      41.265     -12.673      28.592   7.39 0.071 0.800 0.427 2.938     374.379     340.000       9.957   13 
-    430000       86000.00      28.953      -4.152      24.801   6.73 0.143 0.000 0.136 1.025     262.679     340.000      10.743   13 
-    440000       88000.00      37.320       1.629      38.948   6.58 0.286 0.429 0.221 2.514     338.582     340.000       8.803   13 
-    450000       90000.00      31.803     -13.861      17.943   4.65 0.214 0.250 0.148 4.487     288.535     340.000       8.500   13 
-    460000       92000.00      37.802     -17.084      20.717   6.15 0.071 0.857 0.325 1.920     342.956     340.000       7.980   13 
-    470000       94000.00      39.217      -7.766      31.451   7.61 0.000   NaN   NaN 3.239     355.800     340.000      10.101   13 
-    480000       96000.00      34.241     -15.605      18.637   5.63 0.071 0.667 0.470 1.573     310.656     340.000       8.627   13 
-    490000       98000.00      43.293     -13.376      29.917   6.43 0.000 1.000 0.464 2.695     392.774     340.000       7.976   13 
-    500000      100000.00      46.703      -5.015      41.688   4.78 0.071 0.500 0.273 2.266     423.712     340.000       9.320   13 
-    510000      102000.00      38.642     -10.138      28.504   5.87 0.214 0.400 0.191 1.594     350.581     400.000       9.562   13 
-    520000      104000.00      45.352      -4.167      41.185   6.82 0.000 1.000 0.182 2.218     411.458     400.000      10.954   13 
-    530000      106000.00      44.761       5.544      50.305   7.12 0.071 0.667 0.167 3.109     406.097     400.000      11.111   13 
-    540000      108000.00      40.113       3.121      43.233   6.13 0.000   NaN   NaN 1.811     363.922     400.000      10.757   13 
-    550000      110000.00      41.724       0.450      42.174   6.79 0.000   NaN   NaN 1.708     378.543     400.000      10.477   13 
-    560000      112000.00      37.208       5.424      42.631   5.08 0.000 1.000 0.659 2.147     337.567     400.000       9.110   13 
-    570000      114000.00      51.197      -0.372      50.825   6.42 0.143 0.333 0.167 1.576     464.486     400.000       9.907   13 
-    580000      116000.00      42.504       3.437      45.942   5.94 0.000 1.000 0.659 1.386     385.623     400.000       9.058   13 
-    590000      118000.00      33.995       6.627      40.622   5.04 0.000   NaN   NaN 1.728     308.418     400.000       9.211   13 
-    600000      120000.00      38.654       7.957      46.611   6.81 0.000 1.000 0.227 1.323     350.690     400.000      10.646   13 
-    610000      122000.00      42.049      13.782      55.830   8.29 0.071 0.500 0.136 2.060     381.487     390.000      12.141   13 
-    620000      124000.00      35.599     -10.104      25.495   6.58 0.143 0.500 0.295 2.472     322.972     390.000       7.160   13 
-    630000      126000.00      36.613       0.260      36.873   6.62 0.071 0.833 0.288 1.966     332.176     390.000       7.831   13 
-    640000      128000.00      35.755      18.145      53.899   9.61 0.143 0.000 0.182 1.330     324.384     390.000      12.398   13 
-    650000      130000.00      53.595      -2.437      51.158   6.02 0.071 0.750 0.420 3.356     486.240     390.000       8.104   13 
-    660000      132000.00      35.434       5.219      40.653   7.14 0.071 0.667 0.303 2.802     321.472     390.000       7.836   13 
-    670000      134000.00      42.548      -3.969      38.579   5.80 0.071 0.750 0.148 3.206     386.017     390.000       9.852   13 
-    680000      136000.00      32.138       9.009      41.147   6.74 0.000 1.000 0.159 1.756     291.572     390.000      11.978   13 
-    690000      138000.00      39.033       1.623      40.656   6.75 0.000 1.000 0.500 1.290     354.130     390.000       8.618   13 
-    700000      140000.00      31.986      21.199      53.186   7.95 0.071 0.000 0.136 2.103     290.194     390.000      10.840   13 
-    710000      142000.00      32.186      16.470      48.656  10.88 0.071 0.500 0.159 2.275     292.011     400.000      13.580   13 
-    720000      144000.00      38.828      15.043      53.870   8.60 0.000   NaN   NaN 2.739     352.266     400.000      12.605   13 
-    730000      146000.00      33.908      12.155      46.063   6.45 0.071 0.000 0.136 3.351     307.632     400.000       9.610   13 
-    740000      148000.00      30.598      10.400      40.998   7.10 0.000 1.000 0.227 1.308     277.601     400.000      11.142   13 
-    750000      150000.00      40.782      -3.555      37.227   5.68 0.214 0.571 0.338 1.767     369.996     400.000       8.370   13 
-    760000      152000.00      46.449      24.205      70.655  10.24 0.071 0.000 0.182 2.760     421.413     400.000      13.092   13 
-    770000      154000.00      48.153       2.875      51.028   7.00 0.000 1.000 0.136 1.910     436.870     400.000       9.799   13 
-    780000      156000.00      37.012      18.639      55.650   9.34 0.000 1.000 0.227 3.067     335.789     400.000      12.030   13 
-    790000      158000.00      40.613      -0.731      39.882   9.83 0.000   NaN   NaN 2.369     368.463     400.000      14.574   13 
-    800000      160000.00      30.909      -4.328      26.581   6.07 0.071 0.667 0.364 1.798     280.422     400.000       7.832   13 
-    810000      162000.00      33.131       7.987      41.118  11.26 0.071 0.000 0.182 2.236     300.577     390.000      15.000   13 
-    820000      164000.00      39.792      -7.334      32.459   7.17 0.143 0.500 0.159 3.035     361.016     390.000      11.130   13 
-    830000      166000.00      41.534       7.350      48.884   6.68 0.000 1.000 0.318 3.428     376.820     390.000       9.420   13 
-    840000      168000.00      37.639       4.081      41.719   6.79 0.071 0.667 0.212 1.656     341.479     390.000      11.591   13 
-    850000      170000.00      45.326      12.231      57.557  10.13 0.143 0.000 0.136 2.270     411.217     390.000      13.873   13 
-    860000      172000.00      37.229      -8.446      28.782   5.51 0.071 0.750 0.420 1.272     337.758     390.000       7.249   13 
-    870000      174000.00      43.155       7.530      50.684   5.49 0.214 0.400 0.191 3.393     391.521     390.000       8.525   13 
-    880000      176000.00      37.246     -11.208      26.037   6.68 0.000 1.000 0.364 1.944     337.911     390.000       8.052   13 
-    890000      178000.00      39.993       5.552      45.546   5.55 0.071 0.000 0.136 1.346     362.841     390.000       9.120   13 
-    900000      180000.00      40.193      -7.107      33.086   7.07 0.000   NaN   NaN 1.424     364.653     390.000      11.766   13 
-    910000      182000.00      35.203       1.093      36.296   6.40 0.000 1.000 0.284 0.725     319.379     380.000       8.805   13 
-    920000      184000.00      34.628      -7.266      27.362   6.32 0.000 1.000 0.273 1.499     314.165     380.000       8.910   13 
-    930000      186000.00      43.511      -8.788      34.724   4.86 0.071 0.500 0.636 1.224     394.756     380.000       9.602   13 
-    940000      188000.00      39.588      -1.077      38.511   8.33 0.071 0.500 0.159 2.105     359.164     380.000      12.306   13 
-    950000      190000.00      30.171      13.652      43.823   6.11 0.000 1.000 0.300 1.796     273.727     380.000       9.799   13 
-    960000      192000.00      39.527       9.841      49.368   7.51 0.000 1.000 0.318 1.838     358.610     380.000       9.578   13 
-    970000      194000.00      30.071      -3.189      26.882   6.49 0.000 1.000 0.216 1.589     272.823     380.000       9.750   13 
-    980000      196000.00      31.836       0.246      32.082  11.95 0.000   NaN   NaN 0.925     288.834     380.000      15.378   13 
-    990000      198000.00      34.002      15.320      49.322   7.89 0.000   NaN   NaN 1.850     308.483     380.000      11.237   13 
-   1000000      200000.00      44.345      -3.203      41.141   4.91 0.214 0.250 0.159 1.949     402.317     380.000       9.217   13 
+     10000        2000.00      41.663      -6.124      35.540   5.23 0.000 1.000 0.682 2.128     377.991     380.000       9.260   13 
+     20000        4000.00      37.144       6.478      43.622   4.06 0.071 0.875 0.227 2.617     336.989     380.000       7.539   13 
+     30000        6000.00      35.901      -2.658      33.243  10.36 0.000   NaN   NaN 1.645     325.716     380.000      13.533   13 
+     40000        8000.00      34.734       2.815      37.549   9.62 0.000   NaN   NaN 1.615     315.128     380.000      11.743   13 
+     50000       10000.00      39.534       0.732      40.267   9.78 0.214 0.000 0.152 1.526     358.675     380.000      13.107   13 
+     60000       12000.00      35.244      -5.648      29.596   8.43 0.071 0.000 0.182 1.294     319.752     380.000      11.557   13 
+     70000       14000.00      28.097       0.390      28.486   4.76 0.143 0.333 0.197 2.233     254.909     380.000       7.984   13 
+     80000       16000.00      31.590       9.648      41.238   4.90 0.000   NaN   NaN 2.189     286.605     380.000       9.399   13 
+     90000       18000.00      30.093      11.124      41.217   8.57 0.000   NaN   NaN 2.002     273.017     380.000      11.576   13 
+    100000       20000.00      31.952      -6.434      25.518   7.09 0.000 1.000 0.136 2.346     289.889     380.000      10.222   13 
+    110000       22000.00      39.095       1.311      40.406   8.26 0.000 1.000 0.227 1.699     354.688     370.000      11.191   13 
+    120000       24000.00      40.816      -5.998      34.818   6.12 0.143 0.333 0.379 2.112     370.300     370.000      10.358   13 
+    130000       26000.00      25.934      13.560      39.494   7.92 0.000 1.000 0.182 2.059     235.284     370.000      10.563   13 
+    140000       28000.00      36.215       9.281      45.496   8.67 0.071 0.000 0.182 2.878     328.559     370.000      12.740   13 
+    150000       30000.00      35.910      -0.855      35.055   4.53 0.071 0.750 0.239 4.178     325.790     370.000       8.734   13 
+    160000       32000.00      39.226      -6.113      33.113   4.78 0.071 0.750 0.477 1.586     355.878     370.000       7.615   13 
+    170000       34000.00      31.787      -2.267      29.520   5.16 0.214 0.571 0.266 4.103     288.385     370.000       8.580   13 
+    180000       36000.00      38.745      -0.900      37.846   6.49 0.143 0.500 0.170 2.409     351.518     370.000       9.208   13 
+    190000       38000.00      36.065      -2.513      33.551   4.61 0.000   NaN   NaN 2.486     327.197     370.000       9.752   13 
+    200000       40000.00      35.896       4.981      40.876   7.01 0.000 1.000 0.255 2.454     325.663     370.000       8.006   13 
+    210000       42000.00      31.272       4.080      35.352   5.58 0.071 0.667 0.348 1.691     283.712     360.000       8.754   13 
+    220000       44000.00      27.058      -6.112      20.946  10.21 0.071 0.500 0.136 1.606     245.483     360.000      13.002   13 
+    230000       46000.00      36.511      -7.596      28.914  10.06 0.000 1.000 0.182 1.256     331.244     360.000      13.520   13 
+    240000       48000.00      33.090      -1.304      31.787   6.54 0.000 1.000 0.348 1.258     300.213     360.000       8.482   13 
+    250000       50000.00      35.400       1.161      36.562   7.14 0.000 1.000 0.182 1.822     321.169     360.000      11.368   13 
+    260000       52000.00      38.392      -3.052      35.340   5.20 0.000 1.000 0.470 2.221     348.310     360.000       8.425   13 
+    270000       54000.00      29.996      -4.927      25.069   9.26 0.071 0.000 0.182 4.776     272.142     360.000      12.056   13 
+    280000       56000.00      35.702       1.092      36.794   7.01 0.000 1.000 0.227 1.260     323.904     360.000      10.251   13 
+    290000       58000.00      44.185      -1.943      42.241   8.63 0.071 0.500 0.182 2.290     400.865     360.000      10.847   13 
+    300000       60000.00      26.919       5.945      32.864   7.52 0.000 1.000 0.205 3.133     244.224     360.000      11.711   13 
+    310000       62000.00      38.591       0.831      39.422   5.65 0.143 0.600 0.300 2.435     350.116     400.000       8.341   13 
+    320000       64000.00      42.742       0.018      42.761  12.42 0.000   NaN   NaN 1.655     387.781     400.000      15.705   13 
+    330000       66000.00      40.993       1.367      42.360   9.43 0.000   NaN   NaN 2.104     371.906     400.000      12.949   13 
+    340000       68000.00      36.924       3.600      40.524   5.52 0.071 0.500 0.182 3.600     334.994     400.000       8.632   13 
+    350000       70000.00      36.725       9.611      46.337   6.42 0.071 0.667 0.364 1.065     333.193     400.000       9.650   13 
+    360000       72000.00      41.317       2.489      43.806   5.92 0.143 0.333 0.152 1.701     374.853     400.000       9.627   13 
+    370000       74000.00      41.980       4.741      46.721   7.07 0.071 0.000 0.182 2.347     380.867     400.000      11.922   13 
+    380000       76000.00      47.133       5.506      52.639   6.70 0.000 1.000 0.394 1.325     427.611     400.000      10.007   13 
+    390000       78000.00      39.920      -5.278      34.642   4.71 0.143 0.500 0.227 1.979     362.177     400.000       9.317   13 
+    400000       80000.00      36.738       0.724      37.463   9.01 0.000   NaN   NaN 2.083     333.307     400.000      13.005   13 
+    410000       82000.00      44.795       0.121      44.916   6.97 0.000 1.000 0.182 1.330     406.401     390.000       8.416   13 
+    420000       84000.00      37.000       4.245      41.246   5.69 0.000 1.000 0.273 2.128     335.686     390.000       9.727   13 
+    430000       86000.00      32.617       4.852      37.468   4.78 0.000   NaN   NaN 2.369     295.915     390.000       9.500   13 
+    440000       88000.00      41.906       9.232      51.139   7.44 0.071 0.000 0.136 2.557     380.194     390.000      12.012   13 
+    450000       90000.00      31.590      14.055      45.644   7.54 0.000   NaN   NaN 2.876     286.597     390.000      10.643   13 
+    460000       92000.00      35.423       9.720      45.143   5.67 0.000 1.000 0.409 0.860     321.379     390.000       8.862   13 
+    470000       94000.00      40.034       1.163      41.197   8.05 0.071 0.500 0.205 1.815     363.210     390.000      12.172   13 
+    480000       96000.00      40.154       5.208      45.362   7.16 0.000 1.000 0.250 0.974     364.296     390.000      10.495   13 
+    490000       98000.00      48.552       5.315      53.867   6.83 0.000 1.000 0.386 3.177     440.488     390.000      10.166   13 
+    500000      100000.00      47.492      12.393      59.886   7.65 0.000   NaN   NaN 1.368     430.876     390.000      11.348   13 
+    510000      102000.00      32.642     -13.073      19.569   7.17 0.071 0.750 0.182 1.038     296.144     380.000      10.601   13 
+    520000      104000.00      43.463       3.665      47.129   5.35 0.071 0.000 0.136 2.381     394.321     380.000       8.124   13 
+    530000      106000.00      42.749      -1.033      41.716   7.31 0.071 0.750 0.170 1.795     387.839     380.000      11.156   13 
+    540000      108000.00      40.458      -2.113      38.344   5.25 0.000   NaN   NaN 2.188     367.053     380.000       8.192   13 
+    550000      110000.00      38.375       0.599      38.974   6.12 0.000 1.000 0.333 2.382     348.162     380.000       9.408   13 
+    560000      112000.00      40.102      -3.815      36.287   4.97 0.071 0.667 0.167 1.923     363.824     380.000       9.123   13 
+    570000      114000.00      42.031       3.545      45.575   6.93 0.000 1.000 0.295 2.352     381.326     380.000      11.082   13 
+    580000      116000.00      48.866      -3.754      45.112   7.36 0.000 1.000 0.242 1.874     443.337     380.000       9.933   13 
+    590000      118000.00      34.653      -3.148      31.505   4.40 0.000 1.000 0.136 2.088     314.387     380.000       8.521   13 
+    600000      120000.00      32.843      -0.311      32.533   8.67 0.000   NaN   NaN 1.356     297.972     380.000      10.559   13 
+    610000      122000.00      39.378       0.898      40.276   6.40 0.000 1.000 0.273 1.286     357.255     370.000      10.574   13 
+    620000      124000.00      31.549       3.053      34.602   7.99 0.000 1.000 0.250 2.148     286.233     370.000      10.851   13 
+    630000      126000.00      35.766       6.335      42.101   4.17 0.071 0.667 0.530 1.711     324.490     370.000       8.074   13 
+    640000      128000.00      31.683      -4.523      27.160   5.37 0.143 0.778 0.308 1.808     287.445     370.000       7.757   13 
+    650000      130000.00      51.236       0.191      51.427   6.18 0.071 0.750 0.432 1.940     464.843     370.000       7.894   13 
+    660000      132000.00      33.616     -13.617      19.998   5.65 0.143 0.000 0.159 1.579     304.980     370.000      10.397   13 
+    670000      134000.00      32.843      -1.991      30.852   4.73 0.071 0.750 0.205 2.949     297.965     370.000       9.313   13 
+    680000      136000.00      34.251       0.015      34.266   7.61 0.000 1.000 0.205 2.176     310.740     370.000      11.427   13 
+    690000      138000.00      40.055       9.737      49.792   6.03 0.071 0.500 0.159 2.051     363.402     370.000       9.931   13 
+    700000      140000.00      27.828      -7.169      20.659   6.02 0.000 1.000 0.402 1.484     252.474     370.000       8.547   13 
+    710000      142000.00      34.497      -2.901      31.596   5.21 0.000 1.000 0.212 2.728     312.974     360.000       9.002   13 
+    720000      144000.00      39.576      -1.550      38.026   6.54 0.071 0.500 0.205 2.890     359.058     360.000      10.672   13 
+    730000      146000.00      34.831      -3.591      31.240  11.54 0.000   NaN   NaN 3.354     316.005     360.000      15.056   13 
+    740000      148000.00      34.279     -16.257      18.022   5.74 0.000 1.000 0.212 1.510     310.993     360.000       8.332   13 
+    750000      150000.00      35.058       7.909      42.967   8.04 0.000   NaN   NaN 2.330     318.062     360.000      10.237   13 
+    760000      152000.00      49.687       1.601      51.287   5.97 0.143 0.600 0.364 2.300     450.785     360.000       7.406   13 
+    770000      154000.00      39.478      -4.214      35.264   7.46 0.000 1.000 0.568 1.703     358.166     360.000       9.524   13 
+    780000      156000.00      34.890      -8.488      26.402   5.85 0.000 1.000 0.282 1.581     316.538     360.000       8.009   13 
+    790000      158000.00      35.373      -7.586      27.787   6.05 0.000 1.000 0.352 1.159     320.920     360.000       7.912   13 
+    800000      160000.00      35.006      -7.687      27.319   9.45 0.071 0.000 0.136 1.535     317.595     360.000      13.555   13 
+    810000      162000.00      34.122      -4.994      29.128   6.91 0.000 1.000 0.295 1.154     309.571     360.000      10.217   13 
+    820000      164000.00      35.630       5.760      41.390   6.62 0.071 0.000 0.136 1.498     323.254     360.000      11.848   13 
+    830000      166000.00      31.485      -9.721      21.764   6.22 0.000 1.000 0.614 0.804     285.648     360.000       8.351   13 
+    840000      168000.00      34.645     -11.363      23.282   6.85 0.000 1.000 0.394 1.931     314.321     360.000       7.744   13 
+    850000      170000.00      40.999      -8.535      32.465   6.53 0.071 0.800 0.327 3.828     371.965     360.000       7.649   13 
+    860000      172000.00      38.553       1.431      39.984   8.23 0.000 1.000 0.136 1.631     349.771     360.000      13.145   13 
+    870000      174000.00      40.607      -1.397      39.210   4.47 0.000 1.000 0.227 1.737     368.404     360.000       8.653   13 
+    880000      176000.00      35.420      -3.499      31.921   5.29 0.000   NaN   NaN 2.805     321.348     360.000       9.087   13 
+    890000      178000.00      38.070      -6.415      31.655   8.36 0.071 0.000 0.136 1.234     345.391     360.000      13.070   13 
+    900000      180000.00      33.895       1.405      35.301   7.51 0.000 1.000 0.355 2.239     307.516     360.000      11.041   13 
+    910000      182000.00      38.619      -0.648      37.971   9.12 0.071 0.000 0.182 1.898     350.368     400.000      11.788   13 
+    920000      184000.00      38.706      -2.844      35.863   6.54 0.000   NaN   NaN 2.206     351.164     400.000      11.399   13 
+    930000      186000.00      44.295       5.423      49.719   7.83 0.000 1.000 0.242 1.513     401.869     400.000       9.138   13 
+    940000      188000.00      42.573       5.371      47.944   5.19 0.071 0.667 0.576 2.491     386.244     400.000       9.815   13 
+    950000      190000.00      31.419       6.805      38.224   7.15 0.000   NaN   NaN 1.425     285.045     400.000      11.740   13 
+    960000      192000.00      45.506       0.753      46.259   5.15 0.000 1.000 0.182 2.054     412.853     400.000       9.339   13 
+    970000      194000.00      35.574      -5.929      29.645   7.54 0.071 0.750 0.239 2.127     322.741     400.000      10.703   13 
+    980000      196000.00      40.265      -2.285      37.980   8.65 0.000   NaN   NaN 1.051     365.303     400.000      13.623   13 
+    990000      198000.00      39.275      13.924      53.199  10.51 0.000   NaN   NaN 1.068     356.319     400.000      14.656   13 
+   1000000      200000.00      50.015       6.729      56.744   9.02 0.000 1.000 0.182 2.519     453.761     400.000      13.218   13 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB014.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB014.stat
index c1a8e0d..cc27bde 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB014.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB014.stat
@@ -1,101 +1,101 @@
          0           0.00      53.926      24.551      78.477  12.87 0.000   NaN   NaN 0.714     489.243     390.000      15.552   14 
-     10000        2000.00      33.570       5.877      39.447   5.48 0.143 0.333 0.242 2.056     304.562     390.000      10.464   14 
-     20000        4000.00      38.359      -1.483      36.876   7.13 0.000   NaN   NaN 2.796     348.009     390.000      11.821   14 
-     30000        6000.00      42.267       2.449      44.716   8.43 0.071 0.000 0.136 2.594     383.466     390.000      12.726   14 
-     40000        8000.00      34.156       9.040      43.196   5.35 0.071 0.667 0.288 1.903     309.882     390.000       9.635   14 
-     50000       10000.00      43.133       1.453      44.587   5.62 0.000   NaN   NaN 1.281     391.329     390.000       9.512   14 
-     60000       12000.00      48.641      -3.265      45.376   6.91 0.071 0.750 0.284 1.120     441.295     390.000       7.855   14 
-     70000       14000.00      37.305       3.207      40.512   6.70 0.000   NaN   NaN 0.850     338.447     390.000       8.837   14 
-     80000       16000.00      38.675       0.303      38.978   6.23 0.000 1.000 0.500 3.865     350.884     390.000       9.338   14 
-     90000       18000.00      42.209       7.949      50.158   5.25 0.000   NaN   NaN 1.673     382.944     390.000       9.443   14 
-    100000       20000.00      45.242      15.789      61.032  10.00 0.071 0.000 0.136 2.890     410.460     390.000      13.230   14 
-    110000       22000.00      42.147       5.246      47.392   9.01 0.071 0.000 0.136 1.405     382.375     400.000      13.121   14 
-    120000       24000.00      43.177       5.128      48.305   6.09 0.000 1.000 0.193 0.701     391.720     400.000       8.382   14 
-    130000       26000.00      45.454       3.455      48.908   4.78 0.000 1.000 0.318 1.078     412.378     400.000       8.397   14 
-    140000       28000.00      44.701      -0.091      44.610   6.13 0.143 0.714 0.364 1.973     405.553     400.000       7.797   14 
-    150000       30000.00      40.482      -0.144      40.338   5.24 0.000 1.000 0.455 2.028     367.273     400.000       9.412   14 
-    160000       32000.00      38.117      13.012      51.129   8.21 0.000   NaN   NaN 1.602     345.820     400.000      13.199   14 
-    170000       34000.00      36.914      -7.148      29.766   5.82 0.286 0.333 0.523 0.963     334.902     400.000       8.729   14 
-    180000       36000.00      40.428       3.124      43.552   9.78 0.000   NaN   NaN 1.696     366.784     400.000      12.272   14 
-    190000       38000.00      39.399      12.610      52.009   9.09 0.000   NaN   NaN 2.418     357.446     400.000      11.232   14 
-    200000       40000.00      39.142       1.053      40.194   5.91 0.071 0.667 0.561 4.492     355.112     400.000       8.965   14 
-    210000       42000.00      50.440       8.439      58.879   5.93 0.071 0.500 0.159 3.476     457.622     390.000      10.351   14 
-    220000       44000.00      45.699       4.986      50.685   9.18 0.071 0.000 0.136 2.219     414.603     390.000      13.424   14 
-    230000       46000.00      32.871      -3.181      29.690   8.03 0.000 1.000 0.477 1.324     298.222     390.000      10.112   14 
-    240000       48000.00      42.200      16.948      59.148   7.10 0.143 0.500 0.227 5.228     382.863     390.000       9.568   14 
-    250000       50000.00      43.964      -7.472      36.492   6.32 0.000 1.000 0.432 2.190     398.864     390.000       9.735   14 
-    260000       52000.00      40.915       2.139      43.055   7.63 0.000   NaN   NaN 1.295     371.204     390.000      11.126   14 
-    270000       54000.00      37.957      -8.088      29.869   6.21 0.000 1.000 0.341 2.467     344.364     390.000      10.394   14 
-    280000       56000.00      42.485      -6.317      36.167   7.91 0.071 0.800 0.173 1.748     385.443     390.000       9.832   14 
-    290000       58000.00      37.318       8.542      45.861   7.64 0.143 0.500 0.182 1.082     338.572     390.000      11.320   14 
-    300000       60000.00      40.134      -5.679      34.455   8.31 0.000 1.000 0.227 1.193     364.115     390.000      11.995   14 
-    310000       62000.00      42.816      -3.768      39.048   6.64 0.143 0.667 0.530 2.239     388.447     380.000       7.798   14 
-    320000       64000.00      30.851      -6.588      24.264   7.18 0.071 0.750 0.170 1.212     279.899     380.000      11.269   14 
-    330000       66000.00      34.010     -11.842      22.168   6.17 0.000 1.000 0.386 1.759     308.559     380.000       9.008   14 
-    340000       68000.00      35.971       6.679      42.650   6.40 0.071 0.000 0.136 1.992     326.343     380.000       9.426   14 
-    350000       70000.00      34.734       7.883      42.617   5.99 0.000 1.000 0.682 0.296     315.123     380.000       9.778   14 
-    360000       72000.00      39.885       4.208      44.093   6.13 0.000 1.000 0.182 2.885     361.857     380.000      10.680   14 
-    370000       74000.00      37.440     -10.891      26.549   8.16 0.071 0.750 0.239 0.613     339.676     380.000      11.729   14 
-    380000       76000.00      35.888      -0.623      35.265   7.34 0.000   NaN   NaN 2.693     325.594     380.000      11.770   14 
-    390000       78000.00      30.438       4.793      35.231   6.80 0.000 1.000 0.682 1.954     276.148     380.000       9.212   14 
-    400000       80000.00      39.001       1.081      40.081   7.20 0.214 0.000 0.167 1.205     353.834     380.000      10.901   14 
-    410000       82000.00      30.970      -8.090      22.879   4.57 0.214 0.500 0.447 1.564     280.973     370.000       8.245   14 
-    420000       84000.00      31.740       6.378      38.118   8.99 0.000   NaN   NaN 1.847     287.958     370.000      10.569   14 
-    430000       86000.00      29.899      -3.367      26.532   5.06 0.143 0.500 0.250 1.395     271.259     370.000       9.300   14 
-    440000       88000.00      36.104      -0.170      35.934   6.19 0.071 0.833 0.409 2.323     327.558     370.000       8.807   14 
-    450000       90000.00      37.794      -4.420      33.374  10.19 0.000   NaN   NaN 1.983     342.889     370.000      13.832   14 
-    460000       92000.00      35.231      -8.516      26.715   7.74 0.071 0.500 0.159 1.537     319.635     370.000      11.569   14 
-    470000       94000.00      41.393      -1.674      39.719  10.50 0.000 1.000 0.167 2.559     375.542     370.000      13.035   14 
-    480000       96000.00      38.999      -4.917      34.082   5.90 0.000 1.000 0.364 2.743     353.821     370.000       9.381   14 
-    490000       98000.00      39.679       5.814      45.493   7.51 0.000 1.000 0.197 2.473     359.986     370.000      11.057   14 
-    500000      100000.00      43.480       4.035      47.515   5.24 0.143 0.333 0.182 2.577     394.477     370.000       9.792   14 
-    510000      102000.00      39.905       6.091      45.997   5.13 0.000 1.000 0.409 1.550     362.042     360.000       9.357   14 
-    520000      104000.00      37.038       5.010      42.048   5.13 0.143 0.600 0.255 1.167     336.026     360.000       8.097   14 
-    530000      106000.00      35.738      -5.148      30.590   5.45 0.071 0.667 0.333 2.401     324.231     360.000       8.247   14 
-    540000      108000.00      36.976     -23.245      13.731   4.43 0.357 0.500 0.373 1.089     335.468     360.000       7.649   14 
-    550000      110000.00      32.255       1.060      33.314   7.40 0.071 0.000 0.227 2.309     292.630     360.000      11.823   14 
-    560000      112000.00      37.029       8.289      45.318   6.60 0.071 0.500 0.159 2.735     335.950     360.000      10.812   14 
-    570000      114000.00      44.383       9.615      53.998   7.00 0.000 1.000 0.470 3.069     402.661     360.000       9.095   14 
-    580000      116000.00      30.815       0.936      31.751   5.76 0.000 1.000 0.205 1.772     279.567     360.000       9.914   14 
-    590000      118000.00      29.787       3.044      32.831   8.59 0.071 0.000 0.182 1.791     270.244     360.000      11.992   14 
-    600000      120000.00      40.305      -4.092      36.213   6.52 0.143 0.333 0.152 2.057     365.667     360.000       8.165   14 
-    610000      122000.00      41.914      11.713      53.627   6.80 0.000   NaN   NaN 1.151     380.266     400.000      12.035   14 
-    620000      124000.00      44.018      -3.819      40.198   5.63 0.000   NaN   NaN 1.342     399.350     400.000       9.386   14 
-    630000      126000.00      37.052       7.206      44.258   9.05 0.000   NaN   NaN 2.423     336.156     400.000      13.765   14 
-    640000      128000.00      47.990       0.724      48.714   6.21 0.000   NaN   NaN 1.526     435.393     400.000      10.908   14 
-    650000      130000.00      44.072       3.084      47.156   6.71 0.000   NaN   NaN 3.347     399.846     400.000      10.763   14 
-    660000      132000.00      44.529       1.608      46.137   8.09 0.071 0.667 0.182 0.927     403.986     400.000      11.602   14 
-    670000      134000.00      36.726       3.455      40.181   8.55 0.071 0.000 0.136 1.680     333.195     400.000      11.895   14 
-    680000      136000.00      36.636      -4.352      32.284   8.84 0.143 0.000 0.136 1.539     332.383     400.000      13.173   14 
-    690000      138000.00      40.492      12.244      52.736   6.61 0.000   NaN   NaN 1.376     367.362     400.000      11.272   14 
-    700000      140000.00      33.997       1.299      35.296   8.00 0.000 1.000 0.182 2.514     308.435     400.000      11.776   14 
-    710000      142000.00      48.296      -0.482      47.814  10.24 0.071 0.000 0.136 1.240     438.165     390.000      14.117   14 
-    720000      144000.00      36.554      -3.049      33.504  12.26 0.000   NaN   NaN 1.149     331.636     390.000      16.060   14 
-    730000      146000.00      39.843      -3.801      36.043   6.69 0.000 1.000 0.375 1.350     361.477     390.000       7.547   14 
-    740000      148000.00      46.164      12.595      58.760   6.70 0.000 1.000 0.205 2.322     418.828     390.000       9.035   14 
-    750000      150000.00      41.427       1.296      42.723   5.24 0.000 1.000 0.545 3.320     375.846     390.000       9.562   14 
-    760000      152000.00      45.944       7.282      53.226   7.83 0.071 0.500 0.136 2.560     416.828     390.000      11.925   14 
-    770000      154000.00      48.049      10.010      58.059   9.85 0.000   NaN   NaN 2.552     435.921     390.000      13.532   14 
-    780000      156000.00      43.682      -2.025      41.657   6.29 0.000   NaN   NaN 1.194     396.303     390.000      10.093   14 
-    790000      158000.00      35.683      -2.324      33.359   9.09 0.000   NaN   NaN 0.854     323.731     390.000      12.928   14 
-    800000      160000.00      36.668       0.049      36.716   7.72 0.071 0.500 0.205 0.942     332.667     390.000      11.818   14 
-    810000      162000.00      38.264      -3.954      34.309   5.97 0.143 0.600 0.173 1.662     347.149     380.000       8.365   14 
-    820000      164000.00      43.631      -1.656      41.975  11.63 0.071 0.500 0.159 3.146     395.841     380.000      14.118   14 
-    830000      166000.00      44.381      -5.076      39.305   7.41 0.000 1.000 0.182 2.095     402.644     380.000      10.964   14 
-    840000      168000.00      39.517       8.064      47.582   6.18 0.000 1.000 0.773 2.231     358.523     380.000       9.081   14 
-    850000      170000.00      30.892      -6.160      24.732   6.93 0.143 0.667 0.364 1.906     280.267     380.000       8.774   14 
-    860000      172000.00      53.526      10.964      64.489   7.29 0.000 1.000 0.182 1.647     485.613     380.000      10.712   14 
-    870000      174000.00      44.980      12.253      57.232   8.60 0.071 0.000 0.136 1.848     408.078     380.000      12.002   14 
-    880000      176000.00      31.703      -4.661      27.042  11.01 0.071 0.500 0.182 1.177     287.624     380.000      14.563   14 
-    890000      178000.00      46.519       4.727      51.246   7.95 0.071 0.750 0.250 0.311     422.042     380.000       9.605   14 
-    900000      180000.00      36.213      -3.215      32.998   5.96 0.000 1.000 0.136 1.942     328.541     380.000      10.157   14 
-    910000      182000.00      31.936      -8.480      23.456   6.61 0.071 0.750 0.250 3.469     289.738     370.000       9.218   14 
-    920000      184000.00      41.505       0.737      42.241  10.96 0.071 0.000 0.136 3.751     376.551     370.000      13.208   14 
-    930000      186000.00      38.289      -1.644      36.646   6.10 0.071 0.000 0.136 2.560     347.381     370.000       8.562   14 
-    940000      188000.00      46.888      -5.045      41.843   7.17 0.071 0.500 0.159 2.088     425.390     370.000      10.869   14 
-    950000      190000.00      40.989       1.440      42.430   5.84 0.000 1.000 0.670 1.928     371.875     370.000       9.045   14 
-    960000      192000.00      33.536       4.037      37.572   5.50 0.000 1.000 0.136 1.674     304.255     370.000       9.960   14 
-    970000      194000.00      41.248       8.249      49.497   4.06 0.000 1.000 0.439 3.875     374.219     370.000       8.766   14 
-    980000      196000.00      42.084       0.941      43.025   5.57 0.000   NaN   NaN 1.834     381.810     370.000      10.266   14 
-    990000      198000.00      37.561     -14.801      22.760  11.15 0.071 0.000 0.182 2.494     340.773     370.000      15.147   14 
-   1000000      200000.00      32.949      -1.797      31.152   7.70 0.000   NaN   NaN 0.775     298.929     370.000      12.605   14 
+     10000        2000.00      36.531       7.261      43.791  12.02 0.000   NaN   NaN 1.419     331.424     390.000      14.524   14 
+     20000        4000.00      46.270      -8.923      37.348   7.23 0.000 1.000 0.273 2.426     419.788     390.000      11.135   14 
+     30000        6000.00      38.009       7.297      45.307   5.97 0.071 0.750 0.159 2.515     344.840     390.000       8.991   14 
+     40000        8000.00      30.416      12.018      42.435   9.65 0.071 0.000 0.136 1.376     275.954     390.000      13.772   14 
+     50000       10000.00      38.437       0.303      38.740   7.95 0.071 0.500 0.205 1.829     348.722     390.000       9.089   14 
+     60000       12000.00      40.296       6.118      46.414   7.35 0.071 0.000 0.182 1.498     365.586     390.000      10.692   14 
+     70000       14000.00      38.814       0.639      39.453   7.66 0.000 1.000 0.273 1.292     352.142     390.000      10.670   14 
+     80000       16000.00      37.320       9.525      46.845   8.33 0.000   NaN   NaN 2.783     338.586     390.000      13.369   14 
+     90000       18000.00      45.713      -4.599      41.115   7.34 0.000 1.000 0.273 1.975     414.735     390.000      11.919   14 
+    100000       20000.00      43.491     -12.047      31.444   5.25 0.000 1.000 0.545 2.328     394.573     390.000       9.281   14 
+    110000       22000.00      31.875      -5.779      26.096   6.60 0.000 1.000 0.470 1.970     289.187     380.000       9.119   14 
+    120000       24000.00      38.471       1.377      39.849  10.18 0.000 1.000 0.136 1.241     349.033     380.000      14.184   14 
+    130000       26000.00      47.631     -10.227      37.403   6.22 0.071 0.667 0.258 1.831     432.129     380.000       8.332   14 
+    140000       28000.00      35.007      -0.001      35.006   6.46 0.000   NaN   NaN 1.797     317.602     380.000      11.112   14 
+    150000       30000.00      34.477      -0.615      33.862   6.64 0.071 0.667 0.348 1.897     312.789     380.000       8.457   14 
+    160000       32000.00      35.976      -3.333      32.643   6.37 0.000   NaN   NaN 3.242     326.390     380.000       9.880   14 
+    170000       34000.00      30.900      -4.011      26.889   5.41 0.143 0.600 0.482 1.325     280.343     380.000       9.056   14 
+    180000       36000.00      28.772      11.581      40.352   7.19 0.000 1.000 0.273 2.153     261.032     380.000      10.417   14 
+    190000       38000.00      39.211      11.189      50.400   6.34 0.000   NaN   NaN 2.397     355.743     380.000      10.467   14 
+    200000       40000.00      39.246      -9.822      29.424   4.86 0.071 0.750 0.466 1.777     356.061     380.000       7.916   14 
+    210000       42000.00      45.701       8.872      54.574   7.76 0.071 0.667 0.182 1.728     414.625     370.000      11.143   14 
+    220000       44000.00      36.998       6.954      43.952   7.46 0.000   NaN   NaN 1.533     335.661     370.000      12.110   14 
+    230000       46000.00      28.755      -3.835      24.920  11.27 0.000   NaN   NaN 1.411     260.884     370.000      14.642   14 
+    240000       48000.00      40.011       2.285      42.297   5.87 0.071 0.000 0.182 1.430     363.003     370.000       9.710   14 
+    250000       50000.00      38.050      10.728      48.778   6.45 0.000 1.000 0.182 2.119     345.209     370.000      10.351   14 
+    260000       52000.00      34.962       1.053      36.014   7.38 0.071 0.000 0.182 1.733     317.190     370.000      10.009   14 
+    270000       54000.00      32.053       2.408      34.462   5.47 0.143 0.333 0.348 3.682     290.803     370.000       7.559   14 
+    280000       56000.00      40.698      -8.732      31.966   6.47 0.071 0.917 0.462 2.306     369.237     370.000       6.817   14 
+    290000       58000.00      36.292       1.302      37.593   6.08 0.071 0.750 0.375 1.763     329.256     370.000       7.955   14 
+    300000       60000.00      35.501       6.114      41.615   6.32 0.071 0.500 0.159 2.461     322.082     370.000       9.500   14 
+    310000       62000.00      35.823      11.368      47.190   6.16 0.000 1.000 0.364 1.372     325.001     360.000      10.478   14 
+    320000       64000.00      23.298      -5.860      17.438   6.16 0.000 1.000 0.364 1.657     211.374     360.000       9.476   14 
+    330000       66000.00      31.416      -4.107      27.309   4.86 0.071 0.800 0.300 1.808     285.018     360.000       8.567   14 
+    340000       68000.00      30.443      -1.452      28.991   9.19 0.071 0.500 0.136 2.594     276.193     360.000      12.764   14 
+    350000       70000.00      36.511       7.707      44.218   5.83 0.071 0.800 0.191 1.979     331.245     360.000      10.043   14 
+    360000       72000.00      34.113       1.570      35.682  11.10 0.071 0.000 0.136 2.146     309.490     360.000      13.968   14 
+    370000       74000.00      33.848     -12.788      21.060   5.28 0.143 0.667 0.439 1.221     307.086     360.000       8.866   14 
+    380000       76000.00      36.599      -5.678      30.922   5.03 0.071 0.833 0.295 3.261     332.048     360.000       7.598   14 
+    390000       78000.00      29.630      -2.447      27.183   5.08 0.000 1.000 0.182 2.296     268.821     360.000      10.121   14 
+    400000       80000.00      33.355      -8.848      24.507   4.20 0.071 0.857 0.208 1.805     302.616     360.000       8.357   14 
+    410000       82000.00      29.078     -12.026      17.052   6.76 0.071 0.800 0.409 0.939     263.808     350.000       7.313   14 
+    420000       84000.00      29.768      -9.920      19.848   4.22 0.214 0.667 0.460 1.970     270.071     350.000       8.282   14 
+    430000       86000.00      29.527      -9.998      19.529   4.52 0.143 0.600 0.436 1.684     267.881     350.000       8.224   14 
+    440000       88000.00      34.236       2.461      36.696   6.16 0.000   NaN   NaN 1.688     310.606     350.000      10.310   14 
+    450000       90000.00      35.696      -8.027      27.669   6.17 0.000 1.000 0.273 1.863     323.854     350.000      10.294   14 
+    460000       92000.00      34.198      -4.485      29.713   6.89 0.071 0.750 0.409 2.448     310.265     350.000       9.366   14 
+    470000       94000.00      44.384     -23.497      20.887   5.02 0.143 0.818 0.434 0.666     402.677     350.000       7.267   14 
+    480000       96000.00      29.787      -3.569      26.218   6.37 0.143 0.500 0.148 2.467     270.246     350.000      11.129   14 
+    490000       98000.00      43.065      -7.056      36.009   5.24 0.071 0.500 0.318 1.625     390.706     350.000       8.849   14 
+    500000      100000.00      43.934      -8.834      35.101   5.20 0.000 1.000 0.227 1.511     398.596     350.000       9.655   14 
+    510000      102000.00      40.573       4.798      45.371  12.42 0.071 0.000 0.136 2.046     368.102     340.000      15.698   14 
+    520000      104000.00      32.827      -1.299      31.528   4.64 0.143 0.667 0.447 1.682     297.820     340.000       8.586   14 
+    530000      106000.00      36.296      -7.083      29.214   5.95 0.214 0.250 0.420 2.675     329.297     340.000       7.471   14 
+    540000      108000.00      31.808     -16.902      14.906   8.63 0.000 1.000 0.273 1.806     288.578     340.000      11.440   14 
+    550000      110000.00      30.265      -5.117      25.148   5.73 0.071 0.500 0.159 1.189     274.578     340.000       8.926   14 
+    560000      112000.00      33.537      -9.368      24.169   7.92 0.000 1.000 0.371 2.265     304.265     340.000       7.725   14 
+    570000      114000.00      39.050      -3.183      35.867   6.22 0.143 0.333 0.182 2.778     354.279     340.000       7.734   14 
+    580000      116000.00      28.662     -19.568       9.094   4.06 0.071 0.750 0.284 2.102     260.040     340.000       7.892   14 
+    590000      118000.00      30.564     -20.676       9.887   4.93 0.286 0.667 0.326 1.828     277.289     340.000       7.491   14 
+    600000      120000.00      37.162     -11.740      25.422   5.80 0.143 0.778 0.258 0.958     337.156     340.000       7.767   14 
+    610000      122000.00      39.136     -13.708      25.428   9.76 0.071 0.000 0.182 1.078     355.062     330.000      12.116   14 
+    620000      124000.00      35.301     -10.671      24.629   5.60 0.214 0.250 0.330 1.104     320.265     330.000       9.168   14 
+    630000      126000.00      29.286      -5.698      23.587   7.23 0.071 0.667 0.197 2.589     265.697     330.000       8.658   14 
+    640000      128000.00      38.065     -10.692      27.373   8.75 0.143 0.000 0.159 1.828     345.341     330.000      13.012   14 
+    650000      130000.00      30.344      -7.117      23.228   4.56 0.143 0.714 0.208 2.108     275.301     330.000       7.274   14 
+    660000      132000.00      36.923     -19.471      17.452   5.52 0.071 0.857 0.416 1.982     334.980     330.000       7.288   14 
+    670000      134000.00      30.419       1.568      31.987   6.55 0.071 0.500 0.182 1.978     275.978     330.000      10.709   14 
+    680000      136000.00      25.520     -23.640       1.880   6.46 0.071 0.857 0.286 1.684     231.529     330.000       6.857   14 
+    690000      138000.00      35.945      -5.128      30.816   6.31 0.000 1.000 0.159 3.291     326.108     330.000       8.914   14 
+    700000      140000.00      35.045     -23.281      11.764   6.01 0.214 0.500 0.235 1.705     317.943     330.000       6.873   14 
+    710000      142000.00      35.887     -16.088      19.799  10.04 0.143 0.500 0.148 1.975     325.585     330.000      13.558   14 
+    720000      144000.00      31.474      -3.423      28.051   6.23 0.143 0.714 0.247 2.438     285.548     330.000       8.287   14 
+    730000      146000.00      32.513     -10.569      21.944   4.23 0.286 0.500 0.415 1.644     294.974     330.000       7.572   14 
+    740000      148000.00      34.610      -9.516      25.094   4.68 0.286 0.333 0.258 3.305     314.001     330.000       8.573   14 
+    750000      150000.00      36.453      -9.043      27.410   4.47 0.000 1.000 0.227 1.883     330.719     330.000       8.498   14 
+    760000      152000.00      35.446     -15.312      20.135   4.11 0.143 0.714 0.370 2.296     321.586     330.000       7.148   14 
+    770000      154000.00      39.084       2.719      41.804   5.37 0.000   NaN   NaN 1.190     354.593     330.000      10.058   14 
+    780000      156000.00      33.023     -14.599      18.424   6.47 0.071 0.800 0.345 1.267     299.606     330.000       9.168   14 
+    790000      158000.00      27.395     -12.376      15.019   7.21 0.071 0.800 0.173 1.468     248.541     330.000       8.633   14 
+    800000      160000.00      33.996     -25.201       8.794   4.08 0.214 0.571 0.279 1.124     308.426     330.000       7.458   14 
+    810000      162000.00      25.654     -18.733       6.921   5.43 0.143 0.714 0.442 1.405     232.742     320.000       7.610   14 
+    820000      164000.00      36.382      -7.844      28.537   9.45 0.071 0.500 0.205 2.512     330.073     320.000      12.268   14 
+    830000      166000.00      39.159      -7.945      31.215   5.20 0.071 0.750 0.386 1.482     355.271     320.000       8.365   14 
+    840000      168000.00      37.624     -23.053      14.571   4.04 0.214 0.571 0.370 0.254     341.345     320.000       7.201   14 
+    850000      170000.00      26.105     -16.041      10.064   3.96 0.357 0.286 0.240 1.257     236.840     320.000       8.535   14 
+    860000      172000.00      37.457     -14.501      22.957   4.58 0.143 0.600 0.209 2.305     339.834     320.000       8.082   14 
+    870000      174000.00      38.743     -16.511      22.232   5.32 0.214 0.700 0.291 1.379     351.495     320.000       7.713   14 
+    880000      176000.00      24.245     -22.152       2.092   6.47 0.214 0.750 0.394 1.501     219.960     320.000       7.868   14 
+    890000      178000.00      33.501     -10.638      22.863   4.69 0.071 0.833 0.356 1.540     303.938     320.000       7.617   14 
+    900000      180000.00      33.347     -29.900       3.447   4.74 0.143 0.778 0.384 1.936     302.543     320.000       6.770   14 
+    910000      182000.00      27.813     -22.574       5.239   5.00 0.143 0.750 0.369 2.449     252.334     320.000       6.865   14 
+    920000      184000.00      34.263     -11.196      23.067   5.52 0.071 0.857 0.344 1.105     310.849     320.000       6.650   14 
+    930000      186000.00      35.675      -4.565      31.109   6.99 0.071 0.667 0.227 1.887     323.658     320.000       9.168   14 
+    940000      188000.00      34.822      -0.090      34.732  12.06 0.071 0.000 0.182 2.323     315.921     320.000      15.014   14 
+    950000      190000.00      36.736      -7.497      29.239   4.22 0.357 0.167 0.159 1.798     333.286     320.000       8.439   14 
+    960000      192000.00      32.746      -9.542      23.204   8.39 0.143 0.000 0.159 1.457     297.090     320.000      12.635   14 
+    970000      194000.00      42.319     -23.607      18.712   4.07 0.357 0.500 0.464 1.849     383.941     320.000       7.237   14 
+    980000      196000.00      35.533     -23.675      11.858   5.44 0.286 0.429 0.188 1.983     322.373     320.000       8.273   14 
+    990000      198000.00      32.709     -12.113      20.596  11.80 0.000 1.000 0.136 1.447     296.749     320.000      14.960   14 
+   1000000      200000.00      29.214     -17.879      11.335   6.87 0.214 0.667 0.207 2.164     265.047     320.000       9.417   14 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB015.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB015.stat
index 9354029..d5615f0 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB015.stat
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB015.stat
@@ -1,101 +1,101 @@
          0           0.00      41.798      24.561      66.359  12.87 0.000   NaN   NaN 0.715     379.213     400.000      15.552   15 
-     10000        2000.00      38.989       9.135      48.124   7.16 0.071 0.500 0.182 2.110     353.725     400.000      11.324   15 
-     20000        4000.00      29.716      -0.391      29.324   6.26 0.000 1.000 0.295 0.839     269.595     400.000       9.724   15 
-     30000        6000.00      39.347      -5.575      33.772   5.98 0.071 0.750 0.295 1.498     356.975     400.000       8.122   15 
-     40000        8000.00      38.046       0.193      38.239   9.52 0.000   NaN   NaN 2.886     345.177     400.000      11.915   15 
-     50000       10000.00      39.757       1.616      41.373   6.42 0.143 0.333 0.212 3.029     360.693     400.000       9.028   15 
-     60000       12000.00      41.463       4.477      45.940  11.78 0.000   NaN   NaN 2.334     376.169     400.000      15.430   15 
-     70000       14000.00      47.105      -1.445      45.660   8.44 0.143 0.333 0.152 2.233     427.360     400.000      11.963   15 
-     80000       16000.00      38.683       9.672      48.355   6.84 0.000   NaN   NaN 2.360     350.951     400.000      10.853   15 
-     90000       18000.00      33.856      -4.731      29.125   9.58 0.143 0.000 0.136 0.740     307.157     400.000      12.799   15 
-    100000       20000.00      44.283      16.364      60.648   6.44 0.000   NaN   NaN 2.194     401.763     400.000      11.501   15 
-    110000       22000.00      38.488       2.959      41.447   8.67 0.000   NaN   NaN 1.271     349.182     390.000      13.019   15 
-    120000       24000.00      36.255      -2.664      33.591  10.13 0.000   NaN   NaN 1.547     328.922     390.000      14.059   15 
-    130000       26000.00      44.960       1.264      46.224   5.73 0.000   NaN   NaN 2.881     407.901     390.000       9.056   15 
-    140000       28000.00      35.926      12.038      47.964   8.36 0.000 1.000 0.182 2.417     325.936     390.000       9.600   15 
-    150000       30000.00      38.802     -13.241      25.561   5.80 0.000 1.000 0.364 1.288     352.028     390.000       8.796   15 
-    160000       32000.00      41.675      -3.951      37.724   5.74 0.071 0.750 0.250 1.301     378.095     390.000       7.375   15 
-    170000       34000.00      43.552      -6.246      37.307   6.67 0.071 0.667 0.227 2.872     395.130     390.000      10.465   15 
-    180000       36000.00      40.977       7.867      48.844   5.92 0.000   NaN   NaN 1.877     371.761     390.000       8.081   15 
-    190000       38000.00      39.509      -6.149      33.360   6.43 0.000   NaN   NaN 1.748     358.446     390.000      10.580   15 
-    200000       40000.00      32.587      -6.456      26.132   5.37 0.071 0.800 0.418 1.450     295.647     390.000       8.074   15 
-    210000       42000.00      46.225      -8.000      38.225   6.25 0.000 1.000 0.398 3.101     419.381     380.000       8.053   15 
-    220000       44000.00      34.296      10.447      44.743   6.82 0.000   NaN   NaN 2.160     311.147     380.000       9.406   15 
-    230000       46000.00      41.634       5.567      47.201   5.12 0.143 0.600 0.373 1.861     377.722     380.000       8.037   15 
-    240000       48000.00      36.850       3.643      40.493   8.71 0.071 0.000 0.136 1.880     334.320     380.000      13.346   15 
-    250000       50000.00      32.745       1.473      34.218   8.82 0.071 0.000 0.136 1.632     297.082     380.000      12.313   15 
-    260000       52000.00      38.917      -1.103      37.815   5.45 0.000 1.000 0.227 1.312     353.079     380.000      10.156   15 
-    270000       54000.00      38.756      -6.373      32.384   4.49 0.000 1.000 0.379 1.696     351.618     380.000       8.734   15 
-    280000       56000.00      32.837      -6.065      26.772   3.63 0.143 0.667 0.515 1.565     297.915     380.000       8.161   15 
-    290000       58000.00      38.574       6.277      44.851  11.03 0.000 1.000 0.136 2.685     349.962     380.000      14.117   15 
-    300000       60000.00      30.565       2.719      33.284  10.33 0.071 0.000 0.182 2.329     277.299     380.000      14.191   15 
-    310000       62000.00      36.373     -13.628      22.745   5.62 0.071 0.833 0.348 3.696     329.992     370.000       8.550   15 
-    320000       64000.00      32.368       2.119      34.487   9.01 0.071 0.667 0.182 1.846     293.662     370.000      11.702   15 
-    330000       66000.00      42.889       6.009      48.897   8.34 0.000 1.000 0.182 3.234     389.107     370.000      10.755   15 
-    340000       68000.00      39.968      -0.864      39.105   6.29 0.071 0.667 0.182 2.029     362.613     370.000       9.937   15 
-    350000       70000.00      28.279       9.934      38.213   5.32 0.071 0.667 0.273 1.480     256.565     370.000       8.203   15 
-    360000       72000.00      26.215     -12.034      14.181   5.45 0.071 0.750 0.205 1.201     237.832     370.000       9.040   15 
-    370000       74000.00      35.942      -0.985      34.957   8.99 0.071 0.000 0.182 2.502     326.081     370.000      12.852   15 
-    380000       76000.00      40.763      -4.470      36.293   6.46 0.071 0.500 0.159 1.619     369.824     370.000       8.537   15 
-    390000       78000.00      33.472      -5.403      28.069   6.42 0.214 0.571 0.286 1.345     303.679     370.000       8.084   15 
-    400000       80000.00      32.169       7.918      40.087   6.23 0.000 1.000 0.227 2.248     291.852     370.000      10.808   15 
-    410000       82000.00      41.293     -12.435      28.859   8.58 0.143 0.333 0.152 1.568     374.636     360.000      10.786   15 
-    420000       84000.00      38.736      -0.133      38.603  10.79 0.000   NaN   NaN 2.234     351.434     360.000      14.063   15 
-    430000       86000.00      36.317      -1.533      34.784   6.82 0.000 1.000 0.136 3.044     329.487     360.000      10.356   15 
-    440000       88000.00      33.924     -12.690      21.234   4.71 0.000 1.000 0.439 1.874     307.772     360.000       8.310   15 
-    450000       90000.00      27.014       1.053      28.067   6.11 0.000   NaN   NaN 3.090     245.084     360.000       9.887   15 
-    460000       92000.00      39.711       8.239      47.950   9.05 0.000   NaN   NaN 1.177     360.277     360.000      13.665   15 
-    470000       94000.00      37.680      -7.959      29.720  11.78 0.000 1.000 0.205 1.643     341.850     360.000      14.586   15 
-    480000       96000.00      36.231     -17.119      19.112   6.23 0.143 0.667 0.455 2.301     328.708     360.000       7.798   15 
-    490000       98000.00      33.104      -9.576      23.528   6.30 0.143 0.333 0.152 1.295     300.338     360.000      11.533   15 
-    500000      100000.00      32.669     -12.050      20.619   6.11 0.000 1.000 0.579 1.872     296.390     360.000       7.432   15 
-    510000      102000.00      35.759      -1.980      33.778   5.63 0.071 0.667 0.545 1.862     324.421     350.000       8.097   15 
-    520000      104000.00      36.591      -8.242      28.348   6.08 0.071 0.833 0.280 1.835     331.971     350.000       8.073   15 
-    530000      106000.00      34.502      -4.047      30.455  11.82 0.000   NaN   NaN 2.843     313.020     350.000      15.835   15 
-    540000      108000.00      31.948      -2.734      29.213   5.17 0.071 0.800 0.309 1.369     289.848     350.000       8.003   15 
-    550000      110000.00      41.263      -9.431      31.831   7.42 0.071 0.750 0.273 1.834     374.358     350.000      12.086   15 
-    560000      112000.00      29.385       4.321      33.706   6.58 0.000 1.000 0.333 1.862     266.591     350.000       7.656   15 
-    570000      114000.00      42.778      -5.236      37.542   7.15 0.000 1.000 0.250 2.237     388.109     350.000      11.119   15 
-    580000      116000.00      27.213       0.718      27.931   6.93 0.000   NaN   NaN 1.204     246.893     350.000      11.081   15 
-    590000      118000.00      34.909       3.509      38.418   6.92 0.071 0.500 0.182 4.033     316.709     350.000       9.180   15 
-    600000      120000.00      36.280     -12.735      23.545   5.87 0.143 0.600 0.345 1.555     329.151     350.000       8.023   15 
-    610000      122000.00      30.281      -6.898      23.384   5.47 0.143 0.333 0.333 3.156     274.728     350.000       9.543   15 
-    620000      124000.00      37.303      -4.195      33.108   4.77 0.071 0.667 0.364 2.019     338.435     350.000       9.575   15 
-    630000      126000.00      43.223      -6.428      36.795   6.55 0.071 0.500 0.182 0.863     392.143     350.000       9.256   15 
-    640000      128000.00      42.312      -5.569      36.743   6.96 0.000 1.000 0.303 3.214     383.875     350.000       7.656   15 
-    650000      130000.00      33.510     -11.043      22.467   4.07 0.143 0.667 0.379 2.566     304.016     350.000       8.059   15 
-    660000      132000.00      25.507      -2.173      23.333   8.09 0.071 0.000 0.182 1.361     231.410     350.000      11.598   15 
-    670000      134000.00      29.681      -3.211      26.470   9.57 0.071 0.500 0.136 1.630     269.282     350.000      12.650   15 
-    680000      136000.00      28.274      -4.632      23.641   6.68 0.071 0.500 0.227 1.426     256.512     350.000      10.518   15 
-    690000      138000.00      32.431     -14.148      18.284   4.37 0.214 0.400 0.182 0.886     294.234     350.000       9.362   15 
-    700000      140000.00      32.381     -17.155      15.226   3.39 0.286 0.556 0.444 3.628     293.775     350.000       7.501   15 
-    710000      142000.00      33.820     -17.487      16.334   4.75 0.071 0.667 0.303 1.509     306.835     340.000       8.880   15 
-    720000      144000.00      33.662     -10.686      22.976   7.21 0.071 0.000 0.136 1.724     305.396     340.000      10.424   15 
-    730000      146000.00      37.844      -9.212      28.632   5.77 0.000 1.000 0.242 2.297     343.344     340.000       9.050   15 
-    740000      148000.00      40.326      -3.084      37.242   4.85 0.143 0.333 0.152 2.152     365.863     340.000       9.437   15 
-    750000      150000.00      42.734     -11.559      31.176   4.86 0.071 0.667 0.394 1.320     387.709     340.000       7.772   15 
-    760000      152000.00      31.195     -22.098       9.096   5.42 0.071 0.800 0.182 2.082     283.014     340.000       8.862   15 
-    770000      154000.00      30.972       3.320      34.292   3.54 0.286 0.429 0.312 2.901     280.995     340.000       7.675   15 
-    780000      156000.00      40.632     -17.945      22.687   5.22 0.071 0.875 0.455 2.564     368.631     340.000       7.089   15 
-    790000      158000.00      34.019     -29.361       4.658   5.60 0.429 0.400 0.309 1.312     308.639     340.000       6.944   15 
-    800000      160000.00      32.325       0.297      32.622   8.71 0.000 1.000 0.227 1.976     293.267     340.000      12.155   15 
-    810000      162000.00      28.157      -0.828      27.328   7.96 0.143 0.000 0.159 1.981     255.453     330.000      10.782   15 
-    820000      164000.00      35.270     -14.977      20.294   5.53 0.143 0.333 0.152 2.353     319.992     330.000      10.053   15 
-    830000      166000.00      35.146      -2.461      32.684   7.40 0.000 1.000 0.341 2.315     318.859     330.000       7.865   15 
-    840000      168000.00      32.371      -5.375      26.996   8.83 0.000   NaN   NaN 2.679     293.685     330.000      11.099   15 
-    850000      170000.00      35.862     -12.008      23.854   5.57 0.143 0.600 0.400 1.716     325.363     330.000       8.043   15 
-    860000      172000.00      46.365      -8.962      37.403   5.83 0.071 0.875 0.449 2.589     420.652     330.000       7.231   15 
-    870000      174000.00      34.987     -10.781      24.206   6.96 0.143 0.333 0.182 1.342     317.421     330.000      10.579   15 
-    880000      176000.00      33.310     -18.254      15.056   4.87 0.143 0.714 0.351 3.959     302.208     330.000       7.613   15 
-    890000      178000.00      39.213      -6.197      33.016   5.40 0.143 0.667 0.288 1.774     355.761     330.000       8.750   15 
-    900000      180000.00      37.453      -7.565      29.888   6.28 0.071 0.750 0.375 2.226     339.793     330.000       7.710   15 
-    910000      182000.00      26.193     -10.766      15.427  10.79 0.000   NaN   NaN 2.101     237.639     320.000      14.093   15 
-    920000      184000.00      27.989     -14.520      13.469   4.83 0.000 1.000 0.355 2.143     253.928     320.000       7.476   15 
-    930000      186000.00      32.052     -14.120      17.932   5.40 0.214 0.400 0.209 1.284     290.794     320.000       8.529   15 
-    940000      188000.00      33.973     -16.740      17.233   4.02 0.071 0.889 0.333 2.314     308.217     320.000       7.369   15 
-    950000      190000.00      29.448     -26.104       3.344   4.53 0.143 0.778 0.399 2.036     267.164     320.000       7.222   15 
-    960000      192000.00      38.233     -26.458      11.775   7.98 0.286 0.429 0.169 1.113     346.872     320.000      11.753   15 
-    970000      194000.00      25.477     -22.149       3.328   3.80 0.143 0.500 0.477 1.608     231.145     320.000       7.815   15 
-    980000      196000.00      33.561     -15.471      18.090   4.06 0.214 0.700 0.405 2.113     304.485     320.000       8.328   15 
-    990000      198000.00      28.896      -5.556      23.340   4.71 0.071 0.800 0.309 2.566     262.155     320.000       7.095   15 
-   1000000      200000.00      33.730     -20.890      12.840   5.99 0.071 0.857 0.234 2.897     306.015     320.000       7.287   15 
+     10000        2000.00      35.866      -3.743      32.124  10.11 0.000   NaN   NaN 1.947     325.397     400.000      13.286   15 
+     20000        4000.00      32.306      -1.163      31.143   5.83 0.071 0.800 0.409 1.342     293.097     400.000       7.712   15 
+     30000        6000.00      39.670       2.385      42.056   5.98 0.071 0.667 0.258 1.881     359.909     400.000       9.988   15 
+     40000        8000.00      38.838       3.505      42.343   7.68 0.000   NaN   NaN 1.232     352.360     400.000      11.868   15 
+     50000       10000.00      43.429       2.270      45.699   7.29 0.214 0.400 0.173 4.060     394.009     400.000       9.155   15 
+     60000       12000.00      42.935      -1.053      41.881   5.62 0.214 0.250 0.170 2.384     389.525     400.000       9.347   15 
+     70000       14000.00      38.401      -1.737      36.663  11.83 0.000   NaN   NaN 1.910     348.389     400.000      15.793   15 
+     80000       16000.00      44.553      13.381      57.934  10.46 0.000   NaN   NaN 1.985     404.209     400.000      13.766   15 
+     90000       18000.00      34.139       2.963      37.102   7.82 0.000   NaN   NaN 2.243     309.731     400.000      12.101   15 
+    100000       20000.00      43.231       1.032      44.263   5.96 0.071 0.500 0.205 2.588     392.215     400.000       9.546   15 
+    110000       22000.00      42.954       2.959      45.913   5.88 0.000 1.000 0.303 1.994     389.703     390.000      10.769   15 
+    120000       24000.00      38.500      -6.110      32.390   6.92 0.000   NaN   NaN 1.862     349.296     390.000      11.323   15 
+    130000       26000.00      43.307       2.330      45.637   4.98 0.143 0.333 0.227 1.979     392.903     390.000       9.074   15 
+    140000       28000.00      36.465      14.842      51.307   8.34 0.000 1.000 0.136 1.704     330.830     390.000      12.892   15 
+    150000       30000.00      34.230       5.003      39.233   8.00 0.000 1.000 0.227 2.417     310.555     390.000      10.501   15 
+    160000       32000.00      40.212       9.577      49.789   8.28 0.143 0.333 0.212 1.544     364.828     390.000      11.789   15 
+    170000       34000.00      44.387       3.195      47.582   5.14 0.143 0.500 0.364 1.456     402.698     390.000       8.595   15 
+    180000       36000.00      43.508      -1.134      42.374   6.02 0.071 0.750 0.261 1.536     394.727     390.000       8.827   15 
+    190000       38000.00      38.689      -9.510      29.179   6.00 0.143 0.500 0.443 2.101     351.005     390.000       7.660   15 
+    200000       40000.00      32.077       9.947      42.024   8.65 0.071 0.500 0.136 1.222     291.019     390.000      12.462   15 
+    210000       42000.00      40.981       7.452      48.432   4.84 0.000 1.000 0.303 2.766     371.798     380.000       8.886   15 
+    220000       44000.00      32.340      10.633      42.973   6.58 0.000   NaN   NaN 1.507     293.409     380.000      11.338   15 
+    230000       46000.00      43.980      -6.764      37.216   7.83 0.000 1.000 0.295 2.276     399.009     380.000      11.536   15 
+    240000       48000.00      41.935     -11.311      30.624   7.34 0.286 0.636 0.240 2.505     380.460     380.000       7.780   15 
+    250000       50000.00      34.963       2.308      37.271   6.35 0.000 1.000 0.273 0.941     317.199     380.000      10.672   15 
+    260000       52000.00      41.721      -1.318      40.403   6.58 0.214 0.571 0.208 0.731     378.516     380.000       9.099   15 
+    270000       54000.00      40.199       0.821      41.020   5.96 0.143 0.500 0.170 2.516     364.710     380.000       9.987   15 
+    280000       56000.00      33.843       5.997      39.840   9.90 0.071 0.667 0.197 1.538     307.043     380.000      13.404   15 
+    290000       58000.00      33.056       4.950      38.005   5.71 0.071 0.667 0.318 2.921     299.897     380.000       8.687   15 
+    300000       60000.00      32.183       6.276      38.459   7.68 0.000   NaN   NaN 2.512     291.977     380.000      12.319   15 
+    310000       62000.00      32.235      -0.560      31.675   8.31 0.071 0.500 0.182 1.687     292.451     370.000      12.061   15 
+    320000       64000.00      33.203       3.093      36.296   5.15 0.071 0.800 0.236 2.647     301.234     370.000       8.234   15 
+    330000       66000.00      43.915       1.059      44.974   5.48 0.143 0.333 0.152 2.106     398.420     370.000       9.695   15 
+    340000       68000.00      29.345      -7.367      21.978   8.74 0.071 0.667 0.152 2.707     266.232     370.000      10.963   15 
+    350000       70000.00      32.482      -0.880      31.602   6.19 0.143 0.000 0.136 0.878     294.693     370.000       9.799   15 
+    360000       72000.00      22.511       1.185      23.696   6.99 0.000 1.000 0.136 1.321     204.231     370.000      11.515   15 
+    370000       74000.00      35.809       0.289      36.097   6.72 0.143 0.333 0.152 1.971     324.876     370.000      10.165   15 
+    380000       76000.00      40.491       3.049      43.540   5.61 0.000 1.000 0.455 1.707     367.355     370.000       8.834   15 
+    390000       78000.00      31.597       9.872      41.469   7.67 0.143 0.500 0.170 2.713     286.662     370.000      10.479   15 
+    400000       80000.00      35.972     -13.850      22.122   4.28 0.286 0.429 0.338 2.188     326.360     370.000       8.740   15 
+    410000       82000.00      39.801       8.271      48.072   5.01 0.071 0.800 0.273 1.473     361.093     360.000       7.618   15 
+    420000       84000.00      38.812      -4.633      34.179   6.26 0.000 1.000 0.227 2.655     352.124     360.000       8.855   15 
+    430000       86000.00      34.307       1.553      35.860   5.94 0.071 0.500 0.205 3.134     311.255     360.000       8.295   15 
+    440000       88000.00      37.129       1.983      39.112   4.93 0.143 0.667 0.515 3.324     336.850     360.000       8.476   15 
+    450000       90000.00      29.334       3.518      32.852   5.46 0.143 0.500 0.205 1.738     266.136     360.000       9.187   15 
+    460000       92000.00      37.604      -7.001      30.603   5.22 0.071 0.750 0.239 1.616     341.162     360.000       7.627   15 
+    470000       94000.00      39.029     -10.412      28.618   6.72 0.000 1.000 0.500 1.495     354.094     360.000       9.130   15 
+    480000       96000.00      36.375       1.078      37.454   5.89 0.000   NaN   NaN 2.058     330.014     360.000      11.289   15 
+    490000       98000.00      38.429      -1.228      37.201  10.31 0.071 0.000 0.136 0.983     348.649     360.000      13.280   15 
+    500000      100000.00      35.796      -7.447      28.349   5.72 0.214 0.571 0.260 1.208     324.762     360.000       7.823   15 
+    510000      102000.00      32.797      -7.747      25.051   5.34 0.071 0.889 0.313 4.206     297.554     350.000       8.344   15 
+    520000      104000.00      34.361       2.733      37.094   6.62 0.000 1.000 0.273 1.852     311.739     350.000       9.427   15 
+    530000      106000.00      28.226     -11.510      16.716   5.89 0.214 0.571 0.299 1.806     256.079     350.000       8.933   15 
+    540000      108000.00      27.209      -9.065      18.144   6.47 0.214 0.500 0.174 2.795     246.855     350.000       9.405   15 
+    550000      110000.00      45.497      -8.803      36.694   6.38 0.143 0.500 0.261 2.517     412.768     350.000       7.237   15 
+    560000      112000.00      32.076      -4.337      27.738   7.00 0.071 0.800 0.300 1.773     291.009     350.000      10.364   15 
+    570000      114000.00      37.776      -5.708      32.068   5.15 0.000 1.000 0.341 1.636     342.720     350.000       9.151   15 
+    580000      116000.00      34.633       0.082      34.714   4.73 0.214 0.000 0.485 1.662     314.207     350.000       9.355   15 
+    590000      118000.00      37.959     -20.605      17.354   6.18 0.214 0.500 0.258 2.084     344.379     350.000       7.429   15 
+    600000      120000.00      35.232      -7.875      27.358   5.42 0.071 0.875 0.330 3.617     319.647     350.000       8.007   15 
+    610000      122000.00      35.568       2.984      38.552  12.69 0.000   NaN   NaN 1.795     322.689     390.000      15.905   15 
+    620000      124000.00      38.621       6.889      45.511   9.08 0.000   NaN   NaN 2.010     350.393     390.000      12.648   15 
+    630000      126000.00      43.198      12.932      56.130   5.87 0.143 0.500 0.159 1.937     391.916     390.000       8.294   15 
+    640000      128000.00      45.962      -5.059      40.902   5.41 0.071 0.800 0.482 1.308     416.987     390.000       7.725   15 
+    650000      130000.00      43.146       5.147      48.292   6.15 0.071 0.750 0.534 1.345     391.439     390.000       8.166   15 
+    660000      132000.00      28.962      -3.309      25.654   7.18 0.000   NaN   NaN 2.746     262.762     390.000      12.312   15 
+    670000      134000.00      30.561      -1.187      29.373   6.01 0.071 0.750 0.375 2.286     277.261     390.000       9.541   15 
+    680000      136000.00      32.721       1.557      34.278   6.56 0.000 1.000 0.386 3.577     296.864     390.000       8.743   15 
+    690000      138000.00      31.531      -5.035      26.496   7.59 0.000   NaN   NaN 1.404     286.065     390.000      12.049   15 
+    700000      140000.00      37.860      -3.270      34.590   5.79 0.000 1.000 0.391 1.988     343.488     390.000       7.942   15 
+    710000      142000.00      34.437      10.799      45.236   8.39 0.071 0.000 0.136 0.664     312.431     380.000      11.457   15 
+    720000      144000.00      35.577       6.129      41.707   9.62 0.143 0.333 0.152 1.387     322.774     380.000      12.835   15 
+    730000      146000.00      45.196      21.103      66.299   6.41 0.000 1.000 0.273 2.562     410.041     380.000       8.699   15 
+    740000      148000.00      39.683      -8.348      31.335   7.45 0.143 0.000 0.159 2.404     360.024     380.000      12.044   15 
+    750000      150000.00      44.042       6.069      50.111   5.98 0.214 0.250 0.205 2.021     399.571     380.000       9.162   15 
+    760000      152000.00      33.123       3.747      36.870   7.40 0.000 1.000 0.379 2.517     300.512     380.000       8.743   15 
+    770000      154000.00      36.622       8.604      45.225  10.53 0.000   NaN   NaN 2.949     332.250     380.000      14.076   15 
+    780000      156000.00      40.170      -2.921      37.248   5.11 0.286 0.000 0.398 2.860     364.441     380.000       9.067   15 
+    790000      158000.00      42.998      -4.539      38.459   9.26 0.071 0.000 0.136 1.786     390.101     380.000      12.981   15 
+    800000      160000.00      32.720      -8.580      24.140  12.12 0.000 1.000 0.182 1.503     296.853     380.000      14.933   15 
+    810000      162000.00      35.403      -7.212      28.191   9.75 0.000   NaN   NaN 1.279     321.192     370.000      14.098   15 
+    820000      164000.00      45.574      -0.963      44.611   5.25 0.071 0.750 0.477 1.619     413.475     370.000       8.692   15 
+    830000      166000.00      40.076      -0.043      40.032   9.04 0.143 0.000 0.159 2.052     363.586     370.000      12.471   15 
+    840000      168000.00      37.656       5.603      43.259   6.00 0.000   NaN   NaN 1.959     341.637     370.000       9.772   15 
+    850000      170000.00      50.232      -9.675      40.557   7.97 0.143 0.000 0.136 1.089     455.730     370.000      12.815   15 
+    860000      172000.00      47.684      -1.875      45.809   6.23 0.071 0.667 0.242 3.958     432.614     370.000       8.805   15 
+    870000      174000.00      39.238       1.574      40.811   5.28 0.143 0.500 0.307 1.815     355.984     370.000       9.010   15 
+    880000      176000.00      39.353      -2.495      36.858   4.41 0.000 1.000 0.318 1.613     357.035     370.000       8.321   15 
+    890000      178000.00      42.658       1.643      44.302   5.31 0.000   NaN   NaN 1.766     387.018     370.000      10.108   15 
+    900000      180000.00      35.832     -14.266      21.565   8.41 0.000 1.000 0.455 1.955     325.084     370.000      10.779   15 
+    910000      182000.00      33.799      -9.718      24.081   4.89 0.000 1.000 0.284 1.177     306.643     360.000       8.325   15 
+    920000      184000.00      36.196      -9.107      27.089   5.57 0.071 0.500 0.205 2.632     328.390     360.000       8.382   15 
+    930000      186000.00      32.277      -2.722      29.555   7.19 0.143 0.333 0.182 1.546     292.834     360.000      11.330   15 
+    940000      188000.00      42.820      -2.726      40.094   7.12 0.000 1.000 0.273 1.863     388.483     360.000      10.486   15 
+    950000      190000.00      37.801     -12.506      25.296   6.91 0.071 0.800 0.364 1.766     342.954     360.000       7.767   15 
+    960000      192000.00      40.186       9.583      49.769  10.14 0.000 1.000 0.273 2.848     364.587     360.000      12.769   15 
+    970000      194000.00      32.581     -11.527      21.054   5.99 0.071 0.800 0.309 1.449     295.592     360.000       9.379   15 
+    980000      196000.00      38.315       7.064      45.378   8.00 0.000   NaN   NaN 1.563     347.611     360.000      12.913   15 
+    990000      198000.00      31.890      -0.934      30.957   5.46 0.143 0.750 0.540 2.512     289.327     360.000       7.380   15 
+   1000000      200000.00      38.139      -6.049      32.090   6.53 0.071 0.667 0.242 1.573     346.019     360.000       9.343   15 
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_MD000.cx b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_MD000.cx
index a173ee28d09250af0a9a1926b8824244962cf79a..2d4acc61efe81560588bf42b97df041b852849cb 100644
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diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_mremd.rst b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_mremd.rst
index 34cd091d4beb9f4e6d4d647a79970b7c1d185c34..6f5c318d5890e4ddaa13d5dac80a89d73e587f4d 100644
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diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/fort.2 b/examples/unres/new/REMD/Berendsen/ff_gab/fort.2
index b693978..05051c5 100644
--- a/examples/unres/new/REMD/Berendsen/ff_gab/fort.2
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/fort.2
@@ -1,10758 +1,10704 @@
- acceleration/energy drift too large   27.8024140595463     
-   234.883692157447       split increased to            2  itime         992 
+ acceleration/energy drift too large   28.1161541666045     
+   239.307805094340       split increased to            2  itime         992 
   itsplit           1
- acceleration/energy drift too large   4.68695729085805     
-   18.7849343071155       split increased to            2  itime        1211 
+ acceleration/energy drift too large   8.72886934082201     
+   18.8880635376486       split increased to            2  itime         998 
   itsplit           1
- acceleration/energy drift too large   6.20334099508710     
-   22.9317251054582       split increased to            2  itime        1602 
+ acceleration/energy drift too large   4.35309153110432     
+   13.7309359451768       split increased to            2  itime        2676 
   itsplit           1
- acceleration/energy drift too large   5.79381380702763     
-   23.8784814865268       split increased to            2  itime        2503 
+ acceleration/energy drift too large   7.61058112908227     
+   13.5781291643283       split increased to            2  itime        4292 
   itsplit           1
- acceleration/energy drift too large   4.88747818630044     
-   24.1639586547744       split increased to            2  itime        3087 
+ acceleration/energy drift too large   8.94228229617410     
+   19.6799983068242       split increased to            2  itime        4355 
   itsplit           1
- acceleration/energy drift too large   3.12650519274271     
-   12.5742674684855       split increased to            2  itime        4910 
+ acceleration/energy drift too large   4.04641267139975     
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   itsplit           1
- acceleration/energy drift too large   5.00459820344956     
-   24.1006905790999       split increased to            2  itime        5148 
+ acceleration/energy drift too large   5.60313864487802     
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   itsplit           1
- acceleration/energy drift too large   15.0186394100898     
-   99.8593715014061       split increased to            2  itime        5232 
+ acceleration/energy drift too large   4.18164158076457     
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   itsplit           1
- acceleration/energy drift too large   3.93664452816087     
-   12.3669993848670       split increased to            2  itime        5377 
+ acceleration/energy drift too large   6.85964714114879     
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   itsplit           1
- acceleration/energy drift too large   4.04507674764806     
-   13.3958400899155       split increased to            2  itime        5422 
+ acceleration/energy drift too large   6.78568379963259     
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   itsplit           1
- acceleration/energy drift too large   3.86183455037024     
-   12.1314696974947       split increased to            2  itime        5668 
+ acceleration/energy drift too large   2.00791690737991     
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   itsplit           1
- acceleration/energy drift too large   4.34047698715629     
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+ acceleration/energy drift too large   3.12618225098752     
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   itsplit           1
- acceleration/energy drift too large   4.51750049917291     
-   22.0692418768944       split increased to            2  itime        6624 
+ acceleration/energy drift too large   8.77311902359063     
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   itsplit           1
- acceleration/energy drift too large   3.06276506068671     
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+ acceleration/energy drift too large   11.1033806497483     
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   itsplit           1
- acceleration/energy drift too large   4.76723887036018     
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+ acceleration/energy drift too large   5.21422669658510     
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   itsplit           1
- acceleration/energy drift too large   6.97522825099360     
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+ acceleration/energy drift too large   5.58380304944650     
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   itsplit           1
- acceleration/energy drift too large   4.40635396907537     
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   itsplit           1
- acceleration/energy drift too large   6.44596825613059     
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+ acceleration/energy drift too large   6.06542643052636     
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   itsplit           1
- acceleration/energy drift too large   9.17726623079597     
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   itsplit           1
- acceleration/energy drift too large   2.36284902718697     
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-  itsplit           2
- acceleration/energy drift too large   5.88278792214048     
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-  itsplit           1
- acceleration/energy drift too large   4.03909406664099     
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   itsplit           1
- acceleration/energy drift too large   3.84449511999465     
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   itsplit           1
- acceleration/energy drift too large   4.80969077107737     
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   itsplit           1
- acceleration/energy drift too large   5.70237138478689     
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   itsplit           1
- acceleration/energy drift too large   5.70826768061653     
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   itsplit           1
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   itsplit           1
- acceleration/energy drift too large   4.56279166725036     
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
- acceleration/energy drift too large   2.71399159896899     
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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   itsplit           1
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+  itsplit           2
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   itsplit           1
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   itsplit           1
- acceleration/energy drift too large   8.54710104685207     
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   itsplit           1
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   itsplit           1
- acceleration/energy drift too large   5.97441556405340     
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   itsplit           1
- acceleration/energy drift too large   4.03444532725750     
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   itsplit           1
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   itsplit           1
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   itsplit           1
- acceleration/energy drift too large   4.37470509257671     
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   itsplit           1
- acceleration/energy drift too large   4.99227636764670     
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   itsplit           1
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   itsplit           1
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   itsplit           1
- acceleration/energy drift too large   4.50383030970219     
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   itsplit           1
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   itsplit           1
- acceleration/energy drift too large   7.08680871370018     
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   itsplit           1
- acceleration/energy drift too large   4.43273353758296     
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   itsplit           1
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+ acceleration/energy drift too large   19.9224567006997     
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   itsplit           1
- acceleration/energy drift too large   4.91920371604597     
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   itsplit           1
- acceleration/energy drift too large   4.01709553645538     
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   itsplit           1
- acceleration/energy drift too large   3.39727479796295     
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   itsplit           1
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+ acceleration/energy drift too large   5.60150856970921     
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   itsplit           1
- acceleration/energy drift too large   4.99611018057283     
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   itsplit           1
- acceleration/energy drift too large   5.15766807406867     
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   itsplit           1
- acceleration/energy drift too large   4.14253333209811     
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   itsplit           1
- acceleration/energy drift too large   7.12845328365594     
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   itsplit           1
- acceleration/energy drift too large   6.35817140225816     
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   itsplit           1
- acceleration/energy drift too large   11.7564455295937     
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   itsplit           1
- acceleration/energy drift too large   3.38828213975769     
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-  itsplit           2
- acceleration/energy drift too large   3.21890877025637     
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+ acceleration/energy drift too large   7.18812749763830     
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   itsplit           1
- acceleration/energy drift too large   5.92405084765041     
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+ acceleration/energy drift too large   5.88431577260806     
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   itsplit           1
diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/unres.csh b/examples/unres/new/REMD/Berendsen/ff_gab/unres.csh
index 34235c8..bf4dafe 100755
--- a/examples/unres/new/REMD/Berendsen/ff_gab/unres.csh
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/unres.csh
@@ -4,10 +4,10 @@ setenv POT GB
 setenv PREFIX 1L2Y_REMD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv UNRES_ROOT /users/adam/unres/
-setenv DD $UNRES_ROOT/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
 setenv ROTPAR $DD/scgauss.parm
@@ -16,7 +16,8 @@ setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm
 setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-setenv SCCORPAR $DD/rotcorr_AM1.parm
+#setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
 #-----------------------------------------------------------------------------
diff --git a/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD.out_GB000
index dd99dfa..ea205ae 100644
--- a/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD.out_GB000
+++ b/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD.out_GB000
@@ -5,33 +5,33 @@
  Output file                     : 1L2Y_REMD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 298
- compiled Thu Jul  5 05:49:13 2012
+ Version 2.5 build 303
+ compiled Mon Jul 23 17:44:56 2012
  compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
@@ -331,7 +331,7 @@ Replica exchange molecular dynamics (REMD) calculation.
 
  Calling chainbuild
  Calling REMD
- MREMD          16 time before  3.515625000000000E-002
+ MREMD          16 time before  2.343750000000000E-002
  NREP=          16
  i2rep      1      2      3      4      5      6      7      8      9     10
      11     12     13     14     15     16
@@ -486,12 +486,12 @@ Initial:
 
     maximum acceleration    4.85077E+00
 
- Setup time  4.687500000000000E-002
+ Setup time  2.734375000000000E-002
  REMD synchro at      100000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   45.2343750000000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
+ REMD gather times=   44.7226562500000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     1.00000    1
@@ -510,13 +510,13 @@ ACC  13   370.00000     1.00000    1
 ACC  14   380.00000     1.00000    1
 ACC  15   390.00000     0.00000    1
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
  REMD synchro at      200000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   91.0078125000000       0.000000000000000E+000
+ REMD gather times=   90.3281250000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.50000    2
 ACC   2   260.00000     0.50000    2
@@ -534,7 +534,7 @@ ACC  13   370.00000     0.50000    2
 ACC  14   380.00000     1.00000    2
 ACC  15   390.00000     0.50000    2
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
  acceleration/energy drift too large   6.85181695692774     
    23.1376579230641       split increased to            2  itime      229682 
   itsplit           1
@@ -544,7 +544,7 @@ ACC  15   390.00000     0.50000    2
  REMD synchro at      300000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   137.781250000000       0.000000000000000E+000
+ REMD gather times=   135.515625000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
@@ -571,8 +571,8 @@ ACC  15   390.00000     0.66667    3
  REMD synchro at      400000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   183.589843750000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
+ REMD gather times=   181.101562500000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.75000    4
@@ -591,11 +591,11 @@ ACC  13   370.00000     0.75000    4
 ACC  14   380.00000     1.00000    4
 ACC  15   390.00000     0.75000    4
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  3.906250000000000E-003
  REMD synchro at      500000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   230.394531250000       0.000000000000000E+000
+ REMD gather times=   226.550781250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
@@ -619,9 +619,9 @@ ACC  15   390.00000     0.80000    5
  REMD synchro at      600000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   275.984375000000       0.000000000000000E+000
+ REMD gather times=   273.847656250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.66667    6
 ACC   2   260.00000     0.50000    6
@@ -639,11 +639,11 @@ ACC  13   370.00000     0.50000    6
 ACC  14   380.00000     1.00000    6
 ACC  15   390.00000     0.83333    6
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  3.906250000000000E-003
  REMD synchro at      700000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   323.992187500000       0.000000000000000E+000
+ REMD gather times=   319.582031250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
@@ -667,9 +667,9 @@ ACC  15   390.00000     0.85714    7
  REMD synchro at      800000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   373.464843750000       0.000000000000000E+000
+ REMD gather times=   365.500000000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.62500    8
 ACC   2   260.00000     0.50000    8
@@ -687,11 +687,11 @@ ACC  13   370.00000     0.62500    8
 ACC  14   380.00000     1.00000    8
 ACC  15   390.00000     0.87500    8
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
  REMD synchro at      900000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   419.042968750000       0.000000000000000E+000
+ REMD gather times=   414.050781250000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
@@ -720,13 +720,13 @@ ACC  15   390.00000     0.77778    9
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    3.78793E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    3.78219E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.66602E+02
+                               MD steps:    4.59512E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   466.648437500000       sec
+ Total wall clock time   459.539062500000       sec
diff --git a/examples/unres/new/REMD/Langevin/ff_1l2y/unres.csh b/examples/unres/new/REMD/Langevin/ff_1l2y/unres.csh
index 822da15..c8394f9 100755
--- a/examples/unres/new/REMD/Langevin/ff_1l2y/unres.csh
+++ b/examples/unres/new/REMD/Langevin/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD.out_GB000
index 38df490..b9420a0 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD.out_GB000
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD.out_GB000
@@ -5,50 +5,53 @@
  Output file                     : 1L2Y_REMD.out_GB000
  
  Sidechain potential file        : 
- /users/czarek/UNRES/export_v3/PARAM/scinter_GB.parm
- SCp potential file              : /users/czarek/UNRES/export_v3/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ p8g-sc
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/czarek/UNRES/export_v3/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/czarek/UNRES/export_v3/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/czarek/UNRES/export_v3/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/czarek/UNRES/export_v3/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/czarek/UNRES/export_v3/PARAM/rotcorr_AM1.parm
- Bond & inertia constant file    : /users/czarek/UNRES/export_v3/PARAM/bond.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
  Bending parameter file          : 
- /users/czarek/UNRES/export_v3/PARAM/thetaml.5parm
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
  Rotamer parameter file          : 
- /users/czarek/UNRES/export_v3/PARAM/scgauss.parm
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
  Threading database              : 
- /users/czarek/UNRES/export_v3/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
- ### LAST MODIFIED  04/08/11 11:00AM by czarek
+ ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 36
- compiled Thu Dec  1 05:12:23 2011
- compiled by czarek@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
- OS release: 2.6.34.8-68.fc13.x86_64 
- OS version: #1 SMP Thu Feb 17 15:03:58 UTC 2011 
+ OS release: 2.6.34.9-69.fc13.x86_64 
+ OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
  flags:
- CPPFLAGS = -DCRYST_BOND -DCRYST_THETA -DCRYST_S...
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
- FC= ifort 
- OPT =  -O3 -ip -w 
+ FC= ifort
+ OPT =  -g -ip -w -CB 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
  FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
  FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
  FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
- BIN = ../bin/unres_120111_mpich1_oldparm.exe
  LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
  ARCH = LINUX
  PP = /lib/cpp -P
  object = unres.o arcos.o cartprint.o chainbuild...
+ GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
+ GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
+ E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
+ E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
  ++++ End of compile info ++++
 
 Potential is GB , exponents are   6 12
@@ -58,8 +61,9 @@ S-S bridge energy:      -5.50
 d0cm:      3.78 akcm:     15.10
 akth:     11.00 akct:     12.00
 v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
- MPI: node=            0  iseed=               -3059742
- ran_num  0.273754117333397     
+ MPI: node=            0  iseed(4)=            0           0         -46
+      -45086
+ ran_num  6.422640197456531E-013
 RMSDBC =        3.0
 RMSDBC1 =        0.5
 RMSDBC1MAX =        1.5
@@ -325,7 +329,7 @@ Replica exchange molecular dynamics (REMD) calculation.
 
  Calling chainbuild
  Calling REMD
- MREMD          16 time before  1.562500000000000E-002
+ MREMD          16 time before  2.343750000000000E-002
  NREP=          16
  i2rep      1      2      3      4      5      6      7      8      9     10
      11     12     13     14     15     16
@@ -369,32 +373,32 @@ ndowna  16:  15
 ====================MD calculation start====================
  Initial velocities randomly generated
  Initial velocities
-  0   0.12886   0.05495   0.00594      0.00000   0.00000   0.00000
+  0   0.02069   0.05735  -0.16550      0.00000   0.00000   0.00000
   1   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
-  2  -0.15678  -0.01140  -0.13996     -0.01907  -0.05287  -0.09020
-  3   0.13945   0.00982   0.14258     -0.00794  -0.01506   0.13649
-  4   0.08867   0.20048  -0.00070     -0.12014   0.00095  -0.12042
-  5  -0.26468  -0.26163  -0.04016     -0.18982  -0.08866   0.05577
-  6   0.02379  -0.08578   0.00111      0.01956   0.02164   0.06186
-  7   0.12819   0.09785   0.10098      0.02754   0.11147   0.13591
-  8  -0.14509   0.04829  -0.04514     -0.08097  -0.05546   0.05046
-  9   0.00076  -0.06136  -0.11724      0.10533  -0.04728  -0.13041
- 10   0.26677  -0.07152   0.11926      0.06679   0.00076   0.10353
- 11  -0.37573   0.13788  -0.01625      0.00000   0.00000   0.00000
- 12   0.25693  -0.01210   0.07525      0.00000   0.00000   0.00000
- 13  -0.30693   0.08532  -0.09866     -0.02731   0.02783  -0.12092
- 14   0.37412   0.00837  -0.02785      0.22008  -0.17506  -0.02567
- 15  -0.12997  -0.03897   0.10342     -0.05840  -0.13283  -0.09576
- 16  -0.10187  -0.01487   0.01414      0.00000   0.00000   0.00000
- 17   0.07953  -0.04324   0.04216      0.02274  -0.12698  -0.03734
- 18  -0.15697  -0.13183  -0.12179      0.12163  -0.01552  -0.05818
- 19   0.12232   0.08896  -0.00534      0.01069   0.09294  -0.02183
- 20  -0.07573  -0.15222   0.15039      0.06752  -0.08884  -0.20281
- 21   0.00000   0.00000   0.00000      0.05227   0.09999  -0.05798
+  2  -0.32876  -0.20726  -0.00156     -0.06303  -0.02233   0.22619
+  3   0.25246   0.18847   0.12917      0.23917   0.13789   0.08528
+  4   0.09890  -0.10900   0.13430      0.09430  -0.08759   0.02991
+  5   0.05293  -0.08192   0.07599      0.03541   0.02418  -0.13426
+  6   0.01106   0.15012  -0.13429     -0.01486   0.10588  -0.15072
+  7  -0.00922  -0.05032   0.03343     -0.17306   0.05869   0.04136
+  8  -0.01642   0.12268  -0.04117      0.02116   0.09728   0.03398
+  9  -0.24153  -0.01761   0.08700     -0.20570  -0.15587  -0.04194
+ 10   0.12837  -0.05524  -0.16763      0.18636  -0.14195  -0.15819
+ 11  -0.12912   0.12012  -0.00669      0.00000   0.00000   0.00000
+ 12   0.18024  -0.22147   0.01606      0.00000   0.00000   0.00000
+ 13  -0.13972   0.25567   0.06619      0.05987   0.13532   0.09181
+ 14   0.10136  -0.29158   0.14318     -0.02692  -0.08844   0.04927
+ 15   0.13268   0.09441  -0.21684     -0.12710   0.07259   0.06988
+ 16  -0.10926   0.13472   0.13695      0.00000   0.00000   0.00000
+ 17  -0.08222  -0.14474  -0.18471     -0.07262  -0.07774  -0.09353
+ 18   0.22036   0.08274   0.12819     -0.01893   0.09330   0.04480
+ 19  -0.13103  -0.06596  -0.26603     -0.11327  -0.06258  -0.02718
+ 20   0.26050   0.08237   0.51647      0.02143   0.14877   0.17591
+ 21   0.00000   0.00000   0.00000     -0.12529  -0.05874  -0.20044
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
- -1.398625787343875E-017 -2.031580523222126E-017 -5.717010517610002E-018
+  2.286804207044001E-017  1.061730524699000E-017 -3.266863152920001E-018
 
 
               alpha-carbon coordinates            centroid coordinates
@@ -450,7 +454,7 @@ D    22     3.800    90.000   180.000     0.000   180.000   180.000
 
 Virtual-chain energies:
 
-EVDW=     -1.947821E+01 WEIGHT=    1.352790D+00 (SC-SC)
+EVDW=     -1.680592E+01 WEIGHT=    1.352790D+00 (SC-SC)
 EVDW2=     2.387106E+01 WEIGHT=    1.593040D+00 (SC-p)
 EES=      -7.520330E+00 WEIGHT=    8.010569D-01 (p-p)
 EVDWPP=   -2.624923E+01 WEIGHT=    1.137100D-01 (p-p VDW)
@@ -459,7 +463,7 @@ EBE=       1.082023E+00 WEIGHT=    1.138730D+00 (bending)
 ESC=       9.168846E+01 WEIGHT=    1.625800D-01 (SC local)
 ETORS=     2.664535E-15 WEIGHT=    2.223965D+00 (torsional)
 ETORSD=   -2.547586E+00 WEIGHT=    1.930120D+00 (double torsional)
-EHBP=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
+EHPB=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
 ECORR4=   -4.501075E+00 WEIGHT=    5.672548D-01 (multi-body)
 ECORR5=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
 ECORR6=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
@@ -471,1123 +475,5479 @@ ESCCOR=    0.000000E+00 WEIGHT=    0.000000D+00 (backbone-rotamer corr)
 EDIHC=     0.000000E+00 (dihedral angle constraints)
 ESS=       0.000000E+00 (disulfide-bridge intrinsic energy)
 UCONST=     0.000000E+00 (Constraint energy)
-ETOT=      2.138049E+01 (total)
+ETOT=      2.499553E+01 (total)
 
 Initial:
-           Kinetic energy   2.17187E+01
-         potential energy   2.13805E+01
-             total energy   4.30992E+01
+           Kinetic energy   2.63515E+01
+         potential energy   2.49955E+01
+             total energy   5.13470E+01
 
-    maximum acceleration    9.38160E-01
+    maximum acceleration    7.10627E-01
 
- Setup time  2.343750000000000E-002
+ Setup time  2.734375000000000E-002
+ acceleration/energy drift too large   8.26334384637421     
+   26.7750041557367       split increased to            2  itime         719 
+  itsplit           1
+ acceleration/energy drift too large   4.61869349236768     
+   11.5940884147131       split increased to            2  itime         724 
+  itsplit           1
+ acceleration/energy drift too large   2.88576319612688     
+   10.0025926580557       split increased to            2  itime         792 
+  itsplit           1
+ acceleration/energy drift too large   5.10759683559973     
+   25.3079609183639       split increased to            2  itime        3382 
+  itsplit           1
+ acceleration/energy drift too large   2.90692413684614     
+   21.9440903067037       split increased to            2  itime        3974 
+  itsplit           1
+ acceleration/energy drift too large   8.14549314472849     
+   30.3388519180544       split increased to            2  itime        4484 
+  itsplit           1
+ acceleration/energy drift too large   5.07631645279015     
+   30.2063670557820       split increased to            2  itime        4604 
+  itsplit           1
+ acceleration/energy drift too large   11.5987028347798     
+   48.6460600947056       split increased to            2  itime        4697 
+  itsplit           1
+ acceleration/energy drift too large   2.65685222113156     
+   10.2983630336477       split increased to            4  itime        4697 
+  itsplit           2
+ acceleration/energy drift too large   10.7029694651655     
+   44.5942350915888       split increased to            2  itime        5106 
+  itsplit           1
+ acceleration/energy drift too large   6.38932592483277     
+   22.0569805922871       split increased to            2  itime        5128 
+  itsplit           1
+ acceleration/energy drift too large   6.30278336386210     
+   16.0033535111208       split increased to            2  itime        5410 
+  itsplit           1
+ acceleration/energy drift too large   6.61753175822789     
+   13.7712700686941       split increased to            2  itime        6768 
+  itsplit           1
+ acceleration/energy drift too large   3.37029049581790     
+   12.4641624365663       split increased to            2  itime        6965 
+  itsplit           1
+ acceleration/energy drift too large   7.04725995500587     
+   23.6005304144775       split increased to            2  itime        7115 
+  itsplit           1
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+   10.0124025188188       split increased to            2  itime        7208 
+  itsplit           1
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+   37.5818416518357       split increased to            2  itime        8589 
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+ acceleration/energy drift too large   4.02343135233133     
+   14.0475755909893       split increased to            2  itime        8811 
+  itsplit           1
+ acceleration/energy drift too large   4.84526479075250     
+   32.3550694177225       split increased to            2  itime        8869 
+  itsplit           1
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+   18.7496668928797       split increased to            2  itime        9735 
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+   16.1563778365408       split increased to            2  itime       10635 
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+   10.0028967513894       split increased to            2  itime       10998 
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+   11.1594771354202       split increased to            2  itime       11002 
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+   10.1591751402532       split increased to            2  itime       11014 
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+   19.3206237242882       split increased to            2  itime       11221 
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+   13.2448377005877       split increased to            2  itime       11372 
+  itsplit           1
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+   15.8254254651018       split increased to            2  itime       11779 
+  itsplit           1
+ acceleration/energy drift too large   3.07075432401339     
+   16.5692649375406       split increased to            2  itime       12430 
+  itsplit           1
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+   19.3047104938715       split increased to            2  itime       12757 
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+   18.6477351478962       split increased to            2  itime       12946 
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+   10.2125344770836       split increased to            2  itime       13078 
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+   11.7631152409337       split increased to            2  itime       14399 
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+   26.0288302088623       split increased to            2  itime       16030 
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+   10.0249595392576       split increased to            2  itime       16741 
+  itsplit           1
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+   20.9304044141132       split increased to            2  itime       16779 
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+   33.4643407870369       split increased to            2  itime       16945 
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+   19.3339247708666       split increased to            2  itime       17829 
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+   21.6613363796507       split increased to            2  itime       19069 
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+   14.5761142155794       split increased to            2  itime       19507 
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+   10.2871167284916       split increased to            2  itime       19870 
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+   11.5063938877650       split increased to            2  itime       19942 
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+   17.1695181357142       split increased to            2  itime       20270 
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+   84.5846816992344       split increased to            2  itime       20276 
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+   22.3955892836373       split increased to            2  itime       20336 
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+   10.0537930648378       split increased to            2  itime       23979 
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+   10.0363276570512       split increased to            2  itime       25251 
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+   12.6544384392749       split increased to            2  itime       26722 
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+   12.3572773566583       split increased to            2  itime       27842 
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+   12.5738626275850       split increased to            2  itime       27847 
+  itsplit           1
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+   11.8757564018147       split increased to            2  itime       29211 
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+   11.3453629412571       split increased to            2  itime       30021 
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+   13.3046224291952       split increased to            2  itime       30032 
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+   11.9502290673888       split increased to            2  itime       30110 
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+   12.5572165235265       split increased to            2  itime       30738 
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+   22.5142770441446       split increased to            2  itime       32662 
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+   10.6033805573380       split increased to            2  itime       32675 
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+   10.3235535987134       split increased to            2  itime       32745 
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+   11.4929951312212       split increased to            2  itime       35973 
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+   20.0750661230255       split increased to            2  itime       37012 
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+   10.4160856752064       split increased to            2  itime       37811 
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+   31.3499257999342       split increased to            2  itime       38244 
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+   101.545962094238       split increased to            2  itime       38252 
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+   15.3654846348293       split increased to            2  itime       38253 
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+   11.4230586432237       split increased to            2  itime       38667 
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+   33.7652642425329       split increased to            2  itime       39967 
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+   13.4270647185819       split increased to            2  itime       40660 
+  itsplit           1
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+   29.3575529980383       split increased to            2  itime       40882 
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+   10.0937796199883       split increased to            2  itime       40926 
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+   18.1339817054322       split increased to            2  itime       44347 
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+   10.1359910658172       split increased to            2  itime       50306 
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+   14.8892026530080       split increased to            2  itime       59830 
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+ acceleration/energy drift too large   3.59974977281701     
+   13.1533925270847       split increased to            2  itime       60665 
+  itsplit           1
+ acceleration/energy drift too large   2.78761896976678     
+   10.0727991553736       split increased to            2  itime       60670 
+  itsplit           1
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+   17.7763467802020       split increased to            2  itime       60797 
+  itsplit           1
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+   11.7839219613644       split increased to            2  itime       61001 
+  itsplit           1
+ acceleration/energy drift too large   2.60236041213474     
+   11.0617063835897       split increased to            2  itime       61010 
+  itsplit           1
+ acceleration/energy drift too large   1.95912690953350     
+   10.8382893481673       split increased to            2  itime       61024 
+  itsplit           1
+ acceleration/energy drift too large   5.06000461956855     
+   16.8902696214017       split increased to            2  itime       61855 
+  itsplit           1
+ acceleration/energy drift too large   4.67426255200319     
+   12.3067339319547       split increased to            2  itime       62525 
+  itsplit           1
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+   10.7828950156177       split increased to            2  itime       62543 
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+ acceleration/energy drift too large   3.22582181253650     
+   10.3690991928743       split increased to            2  itime       62545 
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+  itsplit           1
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+   10.9581149108782       split increased to            2  itime       62612 
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+   10.3143491684647       split increased to            2  itime       66803 
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+   10.8121264460828       split increased to            2  itime       71796 
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+   12.5590105458999       split increased to            2  itime       72370 
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+   17.7561155792951       split increased to            2  itime       89096 
+  itsplit           1
+ acceleration/energy drift too large   2.57703828135233     
+   13.1631879151119       split increased to            2  itime       91610 
+  itsplit           1
+ acceleration/energy drift too large   6.54430620390576     
+   11.9383358087576       split increased to            2  itime       95220 
+  itsplit           1
+ acceleration/energy drift too large   6.43656604245968     
+   30.3767233047073       split increased to            2  itime       95824 
+  itsplit           1
+ acceleration/energy drift too large   7.25699322003709     
+   22.6043704856316       split increased to            2  itime       96834 
+  itsplit           1
+ acceleration/energy drift too large   5.42022519259350     
+   19.6579075272798       split increased to            2  itime       98463 
+  itsplit           1
+ acceleration/energy drift too large   5.05699437364065     
+   15.1068555447324       split increased to            2  itime       98562 
+  itsplit           1
+ acceleration/energy drift too large   4.25265552366323     
+   22.2342699461477       split increased to            2  itime       99132 
+  itsplit           1
  REMD synchro at      100000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   35.6445312500000       0.000000000000000E+000
+ REMD gather times=   45.9921875000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
- REMD exchange temp,ene
-   1   250.00000   -47.72112
-   -45.28467    36.49890   -55.69137   -38.10953     0.00000     0.00000
-    -0.39474    11.47348    -4.11253     0.00000   -27.63380    66.59361
-     6.20586    -0.96646     0.00000   -34.34480    14.12708     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   260.00000   -51.21402
-   -41.92903    43.27258   -75.17740   -53.97091     0.00000     0.00000
-    -4.96593    13.30304    -2.14006     0.00000   -35.61128    75.49043
-     8.00258     0.52171     0.00000   -29.73406    14.16146     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   270.00000   -39.06015
-   -44.03371    39.50961   -73.72884   -51.25994     0.00000     0.00000
-     5.17982    14.13072    -3.95916     0.00000   -30.47553    65.22951
-     8.19769     0.01388     0.00000   -16.99110    24.08166     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   280.00000   -47.29872
-   -44.18968    39.02600   -67.82983   -49.98829     0.00000     0.00000
-     0.66424    14.30977    -5.01908     0.00000   -28.93974    68.82341
-     7.74557    -0.80729     0.00000   -30.21227    13.21175     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   290.00000   -46.58529
-   -43.03197    39.90474   -73.86583   -52.46260     0.00000     0.00000
-    -3.15353    15.21754    -7.59320     0.00000   -31.52301    64.07322
-     5.10205     1.45082     0.00000   -23.90761    20.63711     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   300.00000   -44.28424
-   -42.66558    42.55606   -80.29526   -58.94761     0.00000     0.00000
-    -3.54503    17.31949    -2.25355     0.00000   -33.34445    82.34579
-     7.66096    -0.84157     0.00000   -30.24980    15.32784     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   310.00000   -47.79395
-   -43.26278    40.02820   -73.79692   -52.60533     0.00000     0.00000
-    -4.05692    14.97057    -1.36656     0.00000   -34.25422    77.30936
-     7.79054     1.79154     0.00000   -30.08318     9.00636     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   8   320.00000   -31.29257
-   -35.77407    33.79856   -57.21373   -39.04777     0.00000     0.00000
-    -0.53189    10.28261    -3.87058     0.00000   -34.29071    81.06284
-     6.39669     2.44805     0.00000   -34.35783    17.53061     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   9   330.00000   -31.56096
-   -42.67189    27.04914   -38.27185   -23.94040     0.00000     0.00000
-     6.55607     7.53480     1.82857     0.00000   -27.86359   102.37634
-     3.38610    -1.35624     0.00000   -28.40438    17.87778     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  10   340.00000   -16.44986
-   -39.00627    27.30433   -43.39420   -29.53701     0.00000     0.00000
-     0.09902    11.02282    -3.15416     0.00000   -31.16194    71.13221
-     4.29584     0.53845     0.00000   -32.08956    35.85824     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  11   350.00000   -21.49026
-   -36.25163    23.06622   -37.42469   -25.75027     0.00000     0.00000
-    -1.18142     9.83188    -0.15634     0.00000   -26.45039    72.25645
-     5.05833     0.99601     0.00000   -29.26346    20.97726     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  12   360.00000   -23.59922
-   -31.49580    24.08799   -35.88102   -22.69463     0.00000     0.00000
-     6.06181     8.92983     2.53620     0.00000   -28.20599    78.59084
-     3.69922    -0.06874     0.00000   -21.74070    11.64028     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  13   370.00000   -19.95582
-   -31.20616    18.81099   -23.11645   -15.47964     0.00000     0.00000
-    -0.41301     5.06699    -2.16739     0.00000   -31.63237    69.02417
-     8.56737     0.22580     0.00000   -26.01202    18.07756     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  14   380.00000    -5.02147
-   -27.23107    16.96553   -18.39200    -9.65125     0.00000     0.00000
-     3.42972     5.78812     3.06388     0.00000   -21.15766    84.65644
-     4.45262    -2.75294     0.00000   -23.90508    18.50996     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  15   390.00000   -13.32334
-   -28.91120    13.54622    -9.60239    -6.50429     0.00000     0.00000
-     8.60496     4.10844     5.01705     0.00000   -20.72392   106.28163
-     1.41880    -1.67317     0.00000   -18.89898    12.01652     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  16   400.00000   -22.57457
-   -32.22012    19.11866   -19.61685   -14.33612     0.00000     0.00000
-    13.63742     5.34706     4.84508     0.00000   -21.58873    64.48186
-     1.77180    -1.12441     0.00000   -27.24399    11.71417     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           1  nodes          16
- remd_m(1)           1
- i           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           9  nupa(0,i)           1
- i          10  nupa(0,i)           1
- i          10  nupa(0,i)           1
- i          10  nupa(0,i)           1
- i          10  nupa(0,i)           1
- i          14  nupa(0,i)           1
- i          14  nupa(0,i)           1
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     1.00000    1
 ACC   2   260.00000     1.00000    1
 ACC   3   270.00000     1.00000    1
 ACC   4   280.00000     1.00000    1
-ACC   5   290.00000     1.00000    1
-ACC   6   300.00000     1.00000    1
-ACC   7   310.00000     1.00000    1
-ACC   8   320.00000     0.00000    1
-ACC   9   330.00000     0.00000    1
+ACC   5   290.00000     0.00000    1
+ACC   6   300.00000     0.00000    1
+ACC   7   310.00000     0.00000    1
+ACC   8   320.00000     1.00000    1
+ACC   9   330.00000     1.00000    1
 ACC  10   340.00000     1.00000    1
 ACC  11   350.00000     1.00000    1
 ACC  12   360.00000     1.00000    1
-ACC  13   370.00000     0.00000    1
+ACC  13   370.00000     1.00000    1
 ACC  14   380.00000     1.00000    1
 ACC  15   390.00000     1.00000    1
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   8.17571755806531     
+   15.2011673842156       split increased to            2  itime      100083 
+  itsplit           1
+ acceleration/energy drift too large   6.16794369158287     
+   18.7495552631982       split increased to            2  itime      100827 
+  itsplit           1
+ acceleration/energy drift too large   6.31771114260536     
+   24.4106250381657       split increased to            2  itime      101586 
+  itsplit           1
+ acceleration/energy drift too large   4.19574787015570     
+   11.4262999867620       split increased to            2  itime      101591 
+  itsplit           1
+ acceleration/energy drift too large   4.27519023334573     
+   12.4766678356019       split increased to            2  itime      102055 
+  itsplit           1
+ acceleration/energy drift too large   2.25428730883978     
+   10.8021646233828       split increased to            2  itime      102056 
+  itsplit           1
+ acceleration/energy drift too large   2.29539834285945     
+   10.9547473618421       split increased to            2  itime      102568 
+  itsplit           1
+ acceleration/energy drift too large   3.21634316371531     
+   21.4162930733483       split increased to            2  itime      103897 
+  itsplit           1
+ acceleration/energy drift too large   2.80062134105790     
+   10.6031699179794       split increased to            2  itime      104103 
+  itsplit           1
+ acceleration/energy drift too large   8.59107370941444     
+   39.6721849501188       split increased to            2  itime      106343 
+  itsplit           1
+ acceleration/energy drift too large   6.29946721216554     
+   23.9159032951432       split increased to            2  itime      106620 
+  itsplit           1
+ acceleration/energy drift too large   4.25473210089085     
+   11.0788943030453       split increased to            2  itime      107921 
+  itsplit           1
+ acceleration/energy drift too large   14.9784202630320     
+   94.1749938652007       split increased to            2  itime      108079 
+  itsplit           1
+ acceleration/energy drift too large   5.27367725761524     
+   12.5042266379210       split increased to            2  itime      108992 
+  itsplit           1
+ acceleration/energy drift too large   3.76218989128240     
+   12.3320700534074       split increased to            2  itime      110490 
+  itsplit           1
+ acceleration/energy drift too large   3.91634754147944     
+   10.6443469109556       split increased to            2  itime      110669 
+  itsplit           1
+ acceleration/energy drift too large   4.05926515802711     
+   11.0495896627319       split increased to            2  itime      112266 
+  itsplit           1
+ acceleration/energy drift too large   5.80407127112394     
+   11.1939092781296       split increased to            2  itime      112296 
+  itsplit           1
+ acceleration/energy drift too large   1.26239546940155     
+   10.2967019993801       split increased to            2  itime      112298 
+  itsplit           1
+ acceleration/energy drift too large   4.31969717968834     
+   18.5350937429971       split increased to            2  itime      112299 
+  itsplit           1
+ acceleration/energy drift too large   2.69458585170424     
+   11.0612045400434       split increased to            2  itime      112314 
+  itsplit           1
+ acceleration/energy drift too large   2.74610552503101     
+   10.0925991762274       split increased to            2  itime      114130 
+  itsplit           1
+ acceleration/energy drift too large   10.1571260966946     
+   42.9971796576257       split increased to            2  itime      114659 
+  itsplit           1
+ acceleration/energy drift too large   7.89712404181197     
+   38.9121414417205       split increased to            2  itime      116139 
+  itsplit           1
+ acceleration/energy drift too large   3.21271468722473     
+   10.1979739681411       split increased to            2  itime      116140 
+  itsplit           1
+ acceleration/energy drift too large   3.86678303248735     
+   10.3902944070384       split increased to            2  itime      117825 
+  itsplit           1
+ acceleration/energy drift too large   4.49869863045689     
+   10.5772717642339       split increased to            2  itime      117915 
+  itsplit           1
+ acceleration/energy drift too large   3.07885953567202     
+   10.1344660707892       split increased to            2  itime      118510 
+  itsplit           1
+ acceleration/energy drift too large   3.15518233556998     
+   13.1222631641749       split increased to            2  itime      118522 
+  itsplit           1
+ acceleration/energy drift too large   4.81079383471224     
+   11.3631544592742       split increased to            2  itime      118542 
+  itsplit           1
+ acceleration/energy drift too large   2.52366275310398     
+   19.6066671688377       split increased to            2  itime      119297 
+  itsplit           1
+ acceleration/energy drift too large   2.77824335733474     
+   10.6648525557386       split increased to            2  itime      119688 
+  itsplit           1
+ acceleration/energy drift too large   2.74622620221040     
+   13.8295481055297       split increased to            2  itime      120621 
+  itsplit           1
+ acceleration/energy drift too large   4.24333335018522     
+   12.5781924548256       split increased to            2  itime      120857 
+  itsplit           1
+ acceleration/energy drift too large   4.24040787258530     
+   18.4886196003524       split increased to            2  itime      122449 
+  itsplit           1
+ acceleration/energy drift too large   3.01115589225826     
+   11.3706101851890       split increased to            2  itime      124570 
+  itsplit           1
+ acceleration/energy drift too large   7.13061911138572     
+   10.8495159768791       split increased to            2  itime      125541 
+  itsplit           1
+ acceleration/energy drift too large   3.31609845867516     
+   11.8795674528911       split increased to            2  itime      125753 
+  itsplit           1
+ acceleration/energy drift too large   3.61691740545970     
+   13.3790576396080       split increased to            2  itime      125957 
+  itsplit           1
+ acceleration/energy drift too large   6.59230710425539     
+   19.5438673406224       split increased to            2  itime      126396 
+  itsplit           1
+ acceleration/energy drift too large   2.88835957496261     
+   16.1031437880166       split increased to            2  itime      126398 
+  itsplit           1
+ acceleration/energy drift too large   2.87783751085672     
+   10.6454266528120       split increased to            2  itime      126956 
+  itsplit           1
+ acceleration/energy drift too large   3.98137559262347     
+   10.0754225635455       split increased to            2  itime      128383 
+  itsplit           1
+ acceleration/energy drift too large   5.48809689935258     
+   32.5468205778560       split increased to            2  itime      129299 
+  itsplit           1
+ acceleration/energy drift too large   9.07750986546559     
+   38.6534017539973       split increased to            2  itime      129341 
+  itsplit           1
+ acceleration/energy drift too large   2.92032419685559     
+   17.7077718573896       split increased to            2  itime      130238 
+  itsplit           1
+ acceleration/energy drift too large   4.68734273277294     
+   19.4468841837176       split increased to            2  itime      131478 
+  itsplit           1
+ acceleration/energy drift too large   3.12091239472442     
+   11.9268309660226       split increased to            2  itime      131480 
+  itsplit           1
+ acceleration/energy drift too large   3.68940954040349     
+   12.5180760929243       split increased to            2  itime      131481 
+  itsplit           1
+ acceleration/energy drift too large   2.73580783800752     
+   13.7584427985648       split increased to            2  itime      131504 
+  itsplit           1
+ acceleration/energy drift too large   3.71653892861237     
+   10.1074096898373       split increased to            2  itime      131505 
+  itsplit           1
+ acceleration/energy drift too large   3.00764766124082     
+   11.2661741253589       split increased to            2  itime      131521 
+  itsplit           1
+ acceleration/energy drift too large   3.49669567762202     
+   12.0453148140340       split increased to            2  itime      131626 
+  itsplit           1
+ acceleration/energy drift too large   3.59455653216657     
+   10.3735484968627       split increased to            2  itime      131630 
+  itsplit           1
+ acceleration/energy drift too large   5.43520565995042     
+   13.1783890775920       split increased to            2  itime      131904 
+  itsplit           1
+ acceleration/energy drift too large   4.03531388787357     
+   13.6010379344806       split increased to            2  itime      132217 
+  itsplit           1
+ acceleration/energy drift too large   5.57361165601825     
+   10.7371667407616       split increased to            2  itime      132221 
+  itsplit           1
+ acceleration/energy drift too large   5.94336296509131     
+   13.9071306090387       split increased to            2  itime      132223 
+  itsplit           1
+ acceleration/energy drift too large   7.69514456773475     
+   13.9153039026417       split increased to            2  itime      132225 
+  itsplit           1
+ acceleration/energy drift too large   4.18383373396116     
+   16.7018087725217       split increased to            2  itime      132227 
+  itsplit           1
+ acceleration/energy drift too large   5.77607863449099     
+   18.0000021549833       split increased to            2  itime      132228 
+  itsplit           1
+ acceleration/energy drift too large   2.79838628363987     
+   18.4221415092220       split increased to            2  itime      132229 
+  itsplit           1
+ acceleration/energy drift too large   5.44554599165093     
+   25.9183247127143       split increased to            2  itime      132230 
+  itsplit           1
+ acceleration/energy drift too large   4.72182724680471     
+   14.9529749338405       split increased to            2  itime      132235 
+  itsplit           1
+ acceleration/energy drift too large   3.39072756431827     
+   10.8269640042296       split increased to            2  itime      132236 
+  itsplit           1
+ acceleration/energy drift too large   4.23818726509806     
+   10.5002664776303       split increased to            2  itime      132237 
+  itsplit           1
+ acceleration/energy drift too large   3.37258097942969     
+   13.6667226598659       split increased to            2  itime      132238 
+  itsplit           1
+ acceleration/energy drift too large   5.06476170024404     
+   10.0869089004748       split increased to            2  itime      132245 
+  itsplit           1
+ acceleration/energy drift too large   2.45691003649186     
+   10.0065349100240       split increased to            2  itime      132247 
+  itsplit           1
+ acceleration/energy drift too large   4.95429357840774     
+   17.4686468817731       split increased to            2  itime      132248 
+  itsplit           1
+ acceleration/energy drift too large   3.20523023735219     
+   10.5783660874184       split increased to            2  itime      132250 
+  itsplit           1
+ acceleration/energy drift too large   3.83005983003455     
+   10.3312234772840       split increased to            2  itime      132252 
+  itsplit           1
+ acceleration/energy drift too large   5.96668105658881     
+   21.8648751162025       split increased to            2  itime      132352 
+  itsplit           1
+ acceleration/energy drift too large   2.57366549078258     
+   10.7204174754546       split increased to            2  itime      132633 
+  itsplit           1
+ acceleration/energy drift too large   3.85374851871649     
+   12.9979182914724       split increased to            2  itime      133210 
+  itsplit           1
+ acceleration/energy drift too large   3.23775310457150     
+   11.0457944271487       split increased to            2  itime      133769 
+  itsplit           1
+ acceleration/energy drift too large   5.45633904929515     
+   12.5173255301342       split increased to            2  itime      134059 
+  itsplit           1
+ acceleration/energy drift too large   10.5042427274165     
+   38.7961028657262       split increased to            2  itime      134143 
+  itsplit           1
+ acceleration/energy drift too large   4.93749045043839     
+   32.2528296887783       split increased to            2  itime      134614 
+  itsplit           1
+ acceleration/energy drift too large   4.26770912996510     
+   10.4941102662541       split increased to            2  itime      135000 
+  itsplit           1
+ acceleration/energy drift too large   9.13753365195345     
+   19.5795269863410       split increased to            2  itime      135297 
+  itsplit           1
+ acceleration/energy drift too large   3.13691364161884     
+   10.0184682403936       split increased to            2  itime      135394 
+  itsplit           1
+ acceleration/energy drift too large   2.69620602302578     
+   14.3794165982865       split increased to            2  itime      135528 
+  itsplit           1
+ acceleration/energy drift too large   3.42263173871173     
+   21.8047574944509       split increased to            2  itime      136593 
+  itsplit           1
+ acceleration/energy drift too large   11.9009529607981     
+   66.8872542547535       split increased to            2  itime      136967 
+  itsplit           1
+ acceleration/energy drift too large   3.87813928117670     
+   17.9777184901114       split increased to            2  itime      137375 
+  itsplit           1
+ acceleration/energy drift too large   6.69986318237259     
+   52.0934523914965       split increased to            2  itime      137661 
+  itsplit           1
+ acceleration/energy drift too large   3.06397433096185     
+   10.0316559289249       split increased to            2  itime      137862 
+  itsplit           1
+ acceleration/energy drift too large   3.37711892982592     
+   11.9766400315784       split increased to            2  itime      138065 
+  itsplit           1
+ acceleration/energy drift too large   3.16256906051118     
+   18.9731319919121       split increased to            2  itime      138192 
+  itsplit           1
+ acceleration/energy drift too large   5.32200219071462     
+   11.4514340554917       split increased to            2  itime      138199 
+  itsplit           1
+ acceleration/energy drift too large   7.06387371266726     
+   15.4643304931995       split increased to            2  itime      138454 
+  itsplit           1
+ acceleration/energy drift too large   4.01311925186105     
+   12.0077255836695       split increased to            2  itime      138837 
+  itsplit           1
+ acceleration/energy drift too large   7.08008729016947     
+   25.2159671119652       split increased to            2  itime      138891 
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+ acceleration/energy drift too large   10.0286433712830     
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+   14.3891970587383       split increased to            2  itime      188838 
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+   17.2367198077943       split increased to            2  itime      188887 
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+   10.2841812993479       split increased to            2  itime      189236 
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+   10.1355964298644       split increased to            2  itime      190321 
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+ acceleration/energy drift too large   3.65201927595873     
+   10.7786120437239       split increased to            2  itime      190329 
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+ acceleration/energy drift too large   5.40913077282803     
+   10.0962469681957       split increased to            2  itime      190333 
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+ acceleration/energy drift too large   4.70036783536982     
+   12.6969678671029       split increased to            2  itime      190370 
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+ acceleration/energy drift too large   3.59171689603184     
+   11.3557248137280       split increased to            2  itime      190379 
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+ acceleration/energy drift too large   6.58790628246656     
+   12.4896272519525       split increased to            2  itime      190729 
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+ acceleration/energy drift too large   4.39865850092240     
+   12.6965121750561       split increased to            2  itime      190955 
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+ acceleration/energy drift too large   2.08991283463400     
+   10.1584886113200       split increased to            2  itime      192484 
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+ acceleration/energy drift too large   7.59939020768112     
+   30.5223882365984       split increased to            2  itime      192602 
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+ acceleration/energy drift too large   4.16548879629661     
+   10.2185273040875       split increased to            2  itime      193005 
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+ acceleration/energy drift too large   6.28927173873436     
+   12.5536476526056       split increased to            2  itime      193947 
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+ acceleration/energy drift too large   12.2642592076063     
+   67.1256047139475       split increased to            2  itime      194077 
+  itsplit           1
+ acceleration/energy drift too large   2.45834399292747     
+   10.8917379312515       split increased to            4  itime      194077 
+  itsplit           2
+ acceleration/energy drift too large   6.98158986680603     
+   19.5481646554196       split increased to            2  itime      195703 
+  itsplit           1
+ acceleration/energy drift too large   3.56814895462811     
+   17.9074515036942       split increased to            2  itime      195704 
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+ acceleration/energy drift too large   5.02881354769344     
+   12.9950757189103       split increased to            2  itime      197186 
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+ acceleration/energy drift too large   4.73342963105735     
+   10.8721306937392       split increased to            2  itime      199241 
+  itsplit           1
+ acceleration/energy drift too large   6.70513216285429     
+   20.4557372742857       split increased to            2  itime      199666 
+  itsplit           1
+ acceleration/energy drift too large   1.04057948859272     
+   12.7797592386721       split increased to            2  itime      199970 
+  itsplit           1
  REMD synchro at      200000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   72.9882812500000       0.000000000000000E+000
+ REMD gather times=   92.0312500000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
-   1   320.00000   -36.09026
-   -35.57380    30.12143   -58.02354   -40.96965     0.00000     0.00000
-    -0.18858    14.34337    -3.13612     0.00000   -31.57124    52.45834
-     7.44949     0.26982     0.00000   -24.92748    14.47054     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   250.00000   -70.88157
-   -48.37331    56.69413  -105.72916   -80.68222     0.00000     0.00000
-    -5.11453    17.75485    -1.78070     0.00000   -32.56096    55.83646
-     8.60584     0.07982     0.00000   -24.14402    11.91265     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   260.00000   -55.11716
-   -42.34618    49.67494   -97.60782   -72.00674     0.00000     0.00000
-     0.33982    18.69638    -3.55492     0.00000   -32.23302    64.03553
-     8.82407     0.74522     0.00000   -13.00850    11.28532     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   270.00000   -64.25461
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-  16   390.00000   -13.74244
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-     2.84606     5.83074     3.66552     0.00000   -20.84524    86.92463
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-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           1  nodes          16
- remd_m(1)           1
- i           2
- i           2  nupa(0,i)           1
- i           3  nupa(0,i)           1
- i           3  nupa(0,i)           1
- i           3  nupa(0,i)           1
- i           6  nupa(0,i)           1
- i           6  nupa(0,i)           1
- i           6  nupa(0,i)           1
- i           6  nupa(0,i)           1
- i           9  nupa(0,i)           1
- i           9  nupa(0,i)           1
- i          12  nupa(0,i)           1
- i          12  nupa(0,i)           1
- i          12  nupa(0,i)           1
- i          15  nupa(0,i)           1
- i          15  nupa(0,i)           1
  NREP          16
-ACC   1   250.00000     0.50000    2
-ACC   2   260.00000     1.00000    2
+ACC   1   250.00000     1.00000    2
+ACC   2   260.00000     0.50000    2
 ACC   3   270.00000     1.00000    2
-ACC   4   280.00000     0.50000    2
-ACC   5   290.00000     1.00000    2
-ACC   6   300.00000     1.00000    2
-ACC   7   310.00000     1.00000    2
-ACC   8   320.00000     0.00000    2
-ACC   9   330.00000     0.50000    2
+ACC   4   280.00000     1.00000    2
+ACC   5   290.00000     0.50000    2
+ACC   6   300.00000     0.00000    2
+ACC   7   310.00000     0.50000    2
+ACC   8   320.00000     1.00000    2
+ACC   9   330.00000     1.00000    2
 ACC  10   340.00000     0.50000    2
 ACC  11   350.00000     1.00000    2
 ACC  12   360.00000     1.00000    2
-ACC  13   370.00000     0.00000    2
+ACC  13   370.00000     1.00000    2
 ACC  14   380.00000     1.00000    2
 ACC  15   390.00000     1.00000    2
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  7.812500000000000E-003
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+  itsplit           1
+ acceleration/energy drift too large   4.07973710274437     
+   18.6148085114565       split increased to            2  itime      289368 
+  itsplit           1
+ acceleration/energy drift too large   4.75859623701097     
+   14.5071857149292       split increased to            2  itime      289771 
+  itsplit           1
+ acceleration/energy drift too large   7.43072579421323     
+   20.8459467421900       split increased to            2  itime      290470 
+  itsplit           1
+ acceleration/energy drift too large   3.51077662847037     
+   17.8444188275560       split increased to            2  itime      290923 
+  itsplit           1
+ acceleration/energy drift too large   6.50301392227160     
+   21.4424137909116       split increased to            2  itime      291334 
+  itsplit           1
+ acceleration/energy drift too large   8.60888727483096     
+   24.8162020154146       split increased to            2  itime      292551 
+  itsplit           1
+ acceleration/energy drift too large   6.23015689004005     
+   14.1763395970671       split increased to            2  itime      292925 
+  itsplit           1
+ acceleration/energy drift too large   5.88224444348728     
+   21.2672583049517       split increased to            2  itime      292950 
+  itsplit           1
+ acceleration/energy drift too large   7.18541453411736     
+   15.1637101315137       split increased to            2  itime      293068 
+  itsplit           1
+ acceleration/energy drift too large   7.14220860539275     
+   11.3850330908799       split increased to            2  itime      293930 
+  itsplit           1
+ acceleration/energy drift too large   5.17523349760034     
+   10.2508772242342       split increased to            2  itime      294574 
+  itsplit           1
+ acceleration/energy drift too large   2.43468708850473     
+   10.6502099308486       split increased to            2  itime      294908 
+  itsplit           1
+ acceleration/energy drift too large   12.6098036474486     
+   50.2150869881662       split increased to            2  itime      296007 
+  itsplit           1
+ acceleration/energy drift too large   7.66356908024649     
+   17.2355144286539       split increased to            2  itime      296510 
+  itsplit           1
+ acceleration/energy drift too large   7.09691106262257     
+   39.5267653777838       split increased to            2  itime      296717 
+  itsplit           1
+ acceleration/energy drift too large   12.9753089542320     
+   77.1940385255314       split increased to            2  itime      296933 
+  itsplit           1
+ acceleration/energy drift too large   3.54929128372393     
+   10.6260956323245       split increased to            2  itime      298080 
+  itsplit           1
+ acceleration/energy drift too large   5.13575487432130     
+   11.5247428414137       split increased to            2  itime      299952 
+  itsplit           1
  REMD synchro at      300000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   111.316406250000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
+ REMD gather times=   139.070312500000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
  REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
-   1   310.00000   -39.24211
-   -39.43016    27.98494   -47.40913   -31.59799     0.00000     0.00000
-    -3.19939    11.69099    -6.18331     0.00000   -32.86392    85.25792
-     4.76914     2.84134     0.00000   -33.15652    14.59360     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   250.00000   -65.59230
-   -41.86304    53.26537  -106.31719   -79.30779     0.00000     0.00000
-    -7.90163    19.17148    -4.30680     0.00000   -32.00657    74.27941
-     8.41001     0.60678     0.00000   -14.64087     8.08146     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   280.00000   -49.69058
-   -41.42689    45.20250   -94.38876   -70.60143     0.00000     0.00000
-    -2.78132    18.68136     0.14037     0.00000   -32.18680    63.00085
-     9.20751    -2.71424     0.00000    15.86188    15.46655     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   260.00000   -59.66430
-   -44.20330    57.19185  -121.30786   -90.40673     0.00000     0.00000
-    -5.45616    19.89415    -1.04643     0.00000   -28.18714    72.16162
-     9.03949    -0.45385     0.00000    18.13918    14.70931     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   270.00000   -47.63871
-   -40.70139    41.06028   -77.61710   -54.53754     0.00000     0.00000
-    -4.42236    16.66473    -5.33257     0.00000   -33.01997    83.97260
-     5.99339     1.32656     0.00000   -25.68744    14.34899     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   320.00000   -26.41888
-   -29.83890    25.49355   -40.27917   -25.61923     0.00000     0.00000
-    -0.71990     8.65763    -3.54314     0.00000   -30.64698    54.90424
-     3.86954     3.25548     0.00000   -30.24653    16.64158     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   290.00000   -45.77582
-   -42.78902    35.18351   -67.87050   -48.09066     0.00000     0.00000
-     0.89375    14.05019    -2.34454     0.00000   -30.54458    84.57223
-     8.53939    -1.59769     0.00000   -11.07288    12.03606     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   8   300.00000   -46.47145
-   -41.57072    31.33748   -49.52933   -33.47829     0.00000     0.00000
-    -1.66029    11.39151    -0.73576     0.00000   -28.73175    61.09639
-     3.82580    -0.02112     0.00000   -24.49838     9.17040     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   9   340.00000   -18.74294
-   -34.62648    22.98095   -33.01375   -21.77907     0.00000     0.00000
-     8.50544     9.59388     5.60049     0.00000   -30.02606   128.34261
-     3.63645    -1.80783     0.00000   -29.84613    15.20624     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  10   360.00000    -7.40614
-   -37.04607    19.73609   -18.28432   -12.24547     0.00000     0.00000
-    10.34254     5.72812     6.02645     0.00000   -21.78500    83.60590
-     3.84138    -4.34078     0.00000   -28.06237    27.85848     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  11   330.00000   -13.24481
-   -37.97116    24.53873   -30.73381   -19.69913     0.00000     0.00000
-     4.90462     5.92363     0.11855     0.00000   -26.48587   145.70203
-     4.56305     0.35277     0.00000   -33.79883    18.31325     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  12   370.00000   -12.27971
-   -33.24525    22.32395   -26.41466   -16.97034     0.00000     0.00000
-     6.01354     3.42487     2.44538     0.00000   -26.86842   130.89486
-     3.43825     1.08228     0.00000   -29.17340    17.39505     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  13   350.00000   -27.39640
-   -36.12901    23.97917   -35.15390   -23.26830     0.00000     0.00000
-     4.67851     8.94961     0.75389     0.00000   -26.57944    69.86682
-     4.57740    -1.03546     0.00000   -29.04757    15.16725     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  14   390.00000   -15.51313
-   -33.06794    16.98711   -17.46081   -11.04691     0.00000     0.00000
-     5.39802     3.99045     4.05883     0.00000   -20.40801    62.04349
-     3.52281    -1.61725     0.00000   -24.10480    20.30483     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  15   400.00000   -13.49620
-   -27.64723    10.88102    -7.84761    -4.48975     0.00000     0.00000
-     7.37756     3.07752     4.02718     0.00000   -22.00708    83.67112
-     2.44194    -1.01385     0.00000   -16.00688    17.12660     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  16   380.00000     3.64522
-   -28.16321    17.88617   -18.90892   -10.91707     0.00000     0.00000
-    -0.40039     5.75101     2.91668     0.00000   -25.98969    85.83876
-     4.30650     0.94845     0.00000   -26.23261    29.93059     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           1  nodes          16
- remd_m(1)           1
- i           2
- i           2  nupa(0,i)           1
- i           2  nupa(0,i)           1
- i           5  nupa(0,i)           1
- i           5  nupa(0,i)           1
- i           5  nupa(0,i)           1
- i           5  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          16  nupa(0,i)           1
- i          16  nupa(0,i)           1
  NREP          16
 ACC   1   250.00000     0.66667    3
-ACC   2   260.00000     0.66667    3
+ACC   2   260.00000     0.33333    3
 ACC   3   270.00000     1.00000    3
-ACC   4   280.00000     0.66667    3
-ACC   5   290.00000     1.00000    3
-ACC   6   300.00000     0.66667    3
-ACC   7   310.00000     1.00000    3
-ACC   8   320.00000     0.00000    3
-ACC   9   330.00000     0.66667    3
-ACC  10   340.00000     0.66667    3
+ACC   4   280.00000     1.00000    3
+ACC   5   290.00000     0.33333    3
+ACC   6   300.00000     0.33333    3
+ACC   7   310.00000     0.66667    3
+ACC   8   320.00000     0.66667    3
+ACC   9   330.00000     1.00000    3
+ACC  10   340.00000     0.33333    3
 ACC  11   350.00000     1.00000    3
 ACC  12   360.00000     1.00000    3
-ACC  13   370.00000     0.00000    3
+ACC  13   370.00000     0.66667    3
 ACC  14   380.00000     1.00000    3
 ACC  15   390.00000     1.00000    3
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   3.21515642220488     
+   14.0061610816825       split increased to            2  itime      301588 
+  itsplit           1
+ acceleration/energy drift too large   6.19518846532381     
+   19.4521813355463       split increased to            2  itime      302479 
+  itsplit           1
+ acceleration/energy drift too large   6.73177720813106     
+   19.3497080005014       split increased to            2  itime      302876 
+  itsplit           1
+ acceleration/energy drift too large   5.24358200070803     
+   11.6108096099685       split increased to            2  itime      305807 
+  itsplit           1
+ acceleration/energy drift too large   2.12523375666162     
+   10.0008213853066       split increased to            2  itime      305972 
+  itsplit           1
+ acceleration/energy drift too large   9.17310070909078     
+   44.1653463534844       split increased to            2  itime      306062 
+  itsplit           1
+ acceleration/energy drift too large   4.90142271341008     
+   14.9592239738763       split increased to            2  itime      307305 
+  itsplit           1
+ acceleration/energy drift too large   3.94683976083943     
+   11.3269842138774       split increased to            2  itime      310076 
+  itsplit           1
+ acceleration/energy drift too large   6.84921798725369     
+   31.7232662426812       split increased to            2  itime      310449 
+  itsplit           1
+ acceleration/energy drift too large   7.35818048038916     
+   12.2988871902855       split increased to            2  itime      311713 
+  itsplit           1
+ acceleration/energy drift too large   2.39708353443099     
+   15.6602843656643       split increased to            2  itime      315150 
+  itsplit           1
+ acceleration/energy drift too large   3.14171760766290     
+   25.1260543037525       split increased to            2  itime      315151 
+  itsplit           1
+ acceleration/energy drift too large   4.37497773845037     
+   12.9444234196682       split increased to            2  itime      316430 
+  itsplit           1
+ acceleration/energy drift too large   6.03864702561651     
+   27.2480406339519       split increased to            2  itime      316505 
+  itsplit           1
+ acceleration/energy drift too large   2.89734350744965     
+   12.6388544744710       split increased to            2  itime      319736 
+  itsplit           1
+ acceleration/energy drift too large   3.03664091876781     
+   14.3760854364302       split increased to            2  itime      319752 
+  itsplit           1
+ acceleration/energy drift too large   5.17187667339472     
+   10.3231788496721       split increased to            2  itime      319754 
+  itsplit           1
+ acceleration/energy drift too large   2.87878515918077     
+   23.4499104524497       split increased to            2  itime      319755 
+  itsplit           1
+ acceleration/energy drift too large   3.97490106903046     
+   11.9158285181266       split increased to            2  itime      319757 
+  itsplit           1
+ acceleration/energy drift too large   4.94631520644623     
+   14.8217757591010       split increased to            2  itime      321012 
+  itsplit           1
+ acceleration/energy drift too large   6.13012117981803     
+   28.3960006099146       split increased to            2  itime      321323 
+  itsplit           1
+ acceleration/energy drift too large   2.83020047735798     
+   10.2555328618845       split increased to            2  itime      322483 
+  itsplit           1
+ acceleration/energy drift too large   5.48090829811770     
+   14.3264512065958       split increased to            2  itime      323678 
+  itsplit           1
+ acceleration/energy drift too large   5.58365639697103     
+   19.3087726550271       split increased to            2  itime      325891 
+  itsplit           1
+ acceleration/energy drift too large   3.67003776225527     
+   11.2978125755724       split increased to            2  itime      326129 
+  itsplit           1
+ acceleration/energy drift too large   2.75328190949690     
+   10.5542603740788       split increased to            2  itime      326145 
+  itsplit           1
+ acceleration/energy drift too large   2.35112883529983     
+   10.5836230634541       split increased to            2  itime      326187 
+  itsplit           1
+ acceleration/energy drift too large   5.80809121571118     
+   16.3382816219338       split increased to            2  itime      330062 
+  itsplit           1
+ acceleration/energy drift too large   5.01536206161786     
+   11.3188101485724       split increased to            2  itime      330950 
+  itsplit           1
+ acceleration/energy drift too large   4.47633357145611     
+   14.7790796478056       split increased to            2  itime      334226 
+  itsplit           1
+ acceleration/energy drift too large   2.82972603297758     
+   12.7655654965944       split increased to            2  itime      339891 
+  itsplit           1
+ acceleration/energy drift too large   4.32420038756034     
+   10.1166705906592       split increased to            2  itime      341324 
+  itsplit           1
+ acceleration/energy drift too large   4.83962322937514     
+   14.2315883009596       split increased to            2  itime      342197 
+  itsplit           1
+ acceleration/energy drift too large   5.15696014276171     
+   12.1364900446786       split increased to            2  itime      346488 
+  itsplit           1
+ acceleration/energy drift too large   2.87939585213392     
+   11.9777633367180       split increased to            2  itime      347046 
+  itsplit           1
+ acceleration/energy drift too large   3.42264681284423     
+   10.9204828464646       split increased to            2  itime      348069 
+  itsplit           1
+ acceleration/energy drift too large   6.57253370806224     
+   26.3026752561855       split increased to            2  itime      349664 
+  itsplit           1
+ acceleration/energy drift too large   2.41456646066030     
+   10.0746811772202       split increased to            2  itime      349686 
+  itsplit           1
+ acceleration/energy drift too large   4.80970807440621     
+   10.0347974799828       split increased to            2  itime      351170 
+  itsplit           1
+ acceleration/energy drift too large   2.57759913654621     
+   12.1867108953393       split increased to            2  itime      351222 
+  itsplit           1
+ acceleration/energy drift too large   6.03613192086544     
+   10.9669143895079       split increased to            2  itime      351235 
+  itsplit           1
+ acceleration/energy drift too large   4.90737269119275     
+   12.4319420245076       split increased to            2  itime      351238 
+  itsplit           1
+ acceleration/energy drift too large   4.36996323120392     
+   17.9343004519593       split increased to            2  itime      351597 
+  itsplit           1
+ acceleration/energy drift too large   4.48778991248124     
+   13.5126002911967       split increased to            2  itime      355933 
+  itsplit           1
+ acceleration/energy drift too large   3.87046362045486     
+   14.8649084215261       split increased to            2  itime      356603 
+  itsplit           1
+ acceleration/energy drift too large   10.6725457043836     
+   35.4720974625696       split increased to            2  itime      360160 
+  itsplit           1
+ acceleration/energy drift too large   3.94201417312254     
+   17.5887550904038       split increased to            2  itime      360699 
+  itsplit           1
+ acceleration/energy drift too large   3.72648927048386     
+   12.5050172142602       split increased to            2  itime      361359 
+  itsplit           1
+ acceleration/energy drift too large   2.38885628597045     
+   10.3045043115043       split increased to            2  itime      363132 
+  itsplit           1
+ acceleration/energy drift too large   2.89956347876834     
+   11.6183001751801       split increased to            2  itime      363135 
+  itsplit           1
+ acceleration/energy drift too large   2.86684482122523     
+   10.1042907538143       split increased to            2  itime      363141 
+  itsplit           1
+ acceleration/energy drift too large   5.07210840207462     
+   13.0013674367039       split increased to            2  itime      364693 
+  itsplit           1
+ acceleration/energy drift too large   5.93242141497752     
+   14.7225474005101       split increased to            2  itime      365689 
+  itsplit           1
+ acceleration/energy drift too large   5.32061170506246     
+   16.2561159096743       split increased to            2  itime      368104 
+  itsplit           1
+ acceleration/energy drift too large   9.96410091291693     
+   41.6311971975705       split increased to            2  itime      368164 
+  itsplit           1
+ acceleration/energy drift too large   3.45127606367486     
+   10.3587937722658       split increased to            2  itime      368849 
+  itsplit           1
+ acceleration/energy drift too large   5.70434711074901     
+   26.3315470806861       split increased to            2  itime      369954 
+  itsplit           1
+ acceleration/energy drift too large   6.02957162300502     
+   18.0516642969636       split increased to            2  itime      371657 
+  itsplit           1
+ acceleration/energy drift too large   4.66300525012313     
+   13.6320137929398       split increased to            2  itime      371942 
+  itsplit           1
+ acceleration/energy drift too large   2.49238883186510     
+   10.5839903426323       split increased to            2  itime      373742 
+  itsplit           1
+ acceleration/energy drift too large   6.61738836474461     
+   13.8006894344397       split increased to            2  itime      375981 
+  itsplit           1
+ acceleration/energy drift too large   5.95763088013116     
+   11.3955163560056       split increased to            2  itime      376242 
+  itsplit           1
+ acceleration/energy drift too large   1.96798709967086     
+   10.5703233303137       split increased to            2  itime      376421 
+  itsplit           1
+ acceleration/energy drift too large   2.61657054059635     
+   10.2195846874822       split increased to            2  itime      376547 
+  itsplit           1
+ acceleration/energy drift too large   2.10573255238195     
+   14.2506568260552       split increased to            2  itime      376866 
+  itsplit           1
+ acceleration/energy drift too large   1.51689338462515     
+   13.2305687152525       split increased to            2  itime      377873 
+  itsplit           1
+ acceleration/energy drift too large   6.69935441170210     
+   32.5139275856887       split increased to            2  itime      381126 
+  itsplit           1
+ acceleration/energy drift too large   7.28101088752383     
+   36.8290188558607       split increased to            2  itime      381682 
+  itsplit           1
+ acceleration/energy drift too large   1.47894968345552     
+   10.5435992307675       split increased to            2  itime      382663 
+  itsplit           1
+ acceleration/energy drift too large   4.15417535087545     
+   11.5744855814668       split increased to            2  itime      382669 
+  itsplit           1
+ acceleration/energy drift too large   2.32337245018191     
+   12.4848326926804       split increased to            2  itime      382670 
+  itsplit           1
+ acceleration/energy drift too large   4.46969555318568     
+   13.6359366106928       split increased to            2  itime      382675 
+  itsplit           1
+ acceleration/energy drift too large   4.07270284348795     
+   15.2060129462891       split increased to            2  itime      382677 
+  itsplit           1
+ acceleration/energy drift too large   2.73244678765435     
+   10.5194491902838       split increased to            2  itime      382678 
+  itsplit           1
+ acceleration/energy drift too large   2.62538955424017     
+   12.0718705770603       split increased to            2  itime      382679 
+  itsplit           1
+ acceleration/energy drift too large   2.20962522271701     
+   13.4900322408877       split increased to            2  itime      382680 
+  itsplit           1
+ acceleration/energy drift too large   2.30752798243274     
+   11.1295452879310       split increased to            2  itime      382683 
+  itsplit           1
+ acceleration/energy drift too large   3.04797370200512     
+   18.8034981261908       split increased to            2  itime      382684 
+  itsplit           1
+ acceleration/energy drift too large   4.05799407063745     
+   10.3960877279511       split increased to            2  itime      382687 
+  itsplit           1
+ acceleration/energy drift too large   2.45568736347852     
+   10.6743815375824       split increased to            2  itime      382688 
+  itsplit           1
+ acceleration/energy drift too large   3.00502881564515     
+   11.1167642206121       split increased to            2  itime      382693 
+  itsplit           1
+ acceleration/energy drift too large   4.45403046181535     
+   13.5370354091093       split increased to            2  itime      382695 
+  itsplit           1
+ acceleration/energy drift too large   3.14731396235418     
+   13.8290431674902       split increased to            2  itime      382696 
+  itsplit           1
+ acceleration/energy drift too large   3.98921617707315     
+   11.2147469522658       split increased to            2  itime      382699 
+  itsplit           1
+ acceleration/energy drift too large   2.61896527575490     
+   13.8509504248820       split increased to            2  itime      382700 
+  itsplit           1
+ acceleration/energy drift too large   1.80259983781124     
+   11.6235338424880       split increased to            2  itime      382703 
+  itsplit           1
+ acceleration/energy drift too large   3.45240476623285     
+   28.1173642487581       split increased to            2  itime      382704 
+  itsplit           1
+ acceleration/energy drift too large   2.92499531337828     
+   15.6886297605196       split increased to            2  itime      382706 
+  itsplit           1
+ acceleration/energy drift too large   3.14688636875288     
+   10.5810606950739       split increased to            2  itime      382743 
+  itsplit           1
+ acceleration/energy drift too large   5.38187900487252     
+   15.6119570943446       split increased to            2  itime      383181 
+  itsplit           1
+ acceleration/energy drift too large   3.40560218819624     
+   11.1989799015270       split increased to            2  itime      383205 
+  itsplit           1
+ acceleration/energy drift too large   15.0300595531574     
+   72.6828183843637       split increased to            2  itime      383258 
+  itsplit           1
+ acceleration/energy drift too large   3.50681192932536     
+   18.1719163013972       split increased to            4  itime      383258 
+  itsplit           2
+ acceleration/energy drift too large   4.42597474910102     
+   10.3873239199870       split increased to            2  itime      383398 
+  itsplit           1
+ acceleration/energy drift too large   2.82839492484402     
+   10.3041085482147       split increased to            2  itime      383399 
+  itsplit           1
+ acceleration/energy drift too large   2.31065591028526     
+   14.0961243406389       split increased to            2  itime      384826 
+  itsplit           1
+ acceleration/energy drift too large   4.32376079289063     
+   14.2760729455425       split increased to            2  itime      387578 
+  itsplit           1
+ acceleration/energy drift too large   6.22224590320130     
+   23.2622033217460       split increased to            2  itime      389515 
+  itsplit           1
+ acceleration/energy drift too large   4.11868393786114     
+   13.1989751234863       split increased to            2  itime      389536 
+  itsplit           1
+ acceleration/energy drift too large   2.38609605549212     
+   13.4442311340799       split increased to            2  itime      391173 
+  itsplit           1
+ acceleration/energy drift too large   4.87185971377541     
+   13.2555572989754       split increased to            2  itime      393717 
+  itsplit           1
+ acceleration/energy drift too large   2.84827685267221     
+   11.7992910888368       split increased to            2  itime      395735 
+  itsplit           1
+ acceleration/energy drift too large   3.06688128461116     
+   18.2177494315470       split increased to            2  itime      396129 
+  itsplit           1
+ acceleration/energy drift too large   4.94959495163784     
+   21.9428922034808       split increased to            2  itime      396665 
+  itsplit           1
+ acceleration/energy drift too large   6.00282177724514     
+   15.2674391807296       split increased to            2  itime      398049 
+  itsplit           1
+ acceleration/energy drift too large   6.14389501012137     
+   25.8228966295308       split increased to            2  itime      398140 
+  itsplit           1
+ acceleration/energy drift too large   3.87032505194854     
+   10.0387349716506       split increased to            2  itime      398418 
+  itsplit           1
+ acceleration/energy drift too large   2.70013772758495     
+   12.5987823780450       split increased to            2  itime      399311 
+  itsplit           1
  REMD synchro at      400000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   148.046875000000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
- REMD exchange temp,ene
-   1   320.00000   -33.32207
-   -43.78033    36.24307   -61.80857   -45.04384     0.00000     0.00000
-     1.29290    14.40348    -0.70201     0.00000   -26.58513    70.66385
-     6.24324    -0.53137     0.00000   -30.35816    16.40366     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   260.00000   -60.28110
-   -48.81073    48.09340   -93.55294   -69.83329     0.00000     0.00000
-    -0.93210    17.59150    -5.01886     0.00000   -30.22021    89.09698
-     8.75113     0.05498     0.00000   -14.40434    11.93969     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   270.00000   -53.12899
-   -39.15087    49.10421  -105.82645   -77.04005     0.00000     0.00000
-     0.20078    19.61625    -3.59812     0.00000   -29.24808    46.52780
-    12.02585    -1.82099     0.00000     6.26081    10.20899     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   250.00000   -67.82835
-   -41.78486    58.67123  -122.67452   -89.00559     0.00000     0.00000
-    -5.37302    17.88663    -6.43421     0.00000   -28.86118    52.11190
-     9.34784     1.40227     0.00000     8.84744    13.49170     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   300.00000   -40.82416
-   -44.32184    33.19045   -44.85445   -28.27598     0.00000     0.00000
-     4.69344     9.85075    -3.88664     0.00000   -27.50034    78.05985
-     4.42273     0.32579     0.00000   -32.33312     8.68015     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   310.00000   -37.22735
-   -39.73529    27.91504   -41.05399   -26.90996     0.00000     0.00000
-    -0.01510     8.39663    -2.33934     0.00000   -30.68314    93.37603
-     4.17346     0.20052     0.00000   -27.38247    13.91891     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   280.00000   -52.03459
-   -41.97902    34.06070   -61.09087   -44.33822     0.00000     0.00000
-     2.32346    12.42302    -1.62584     0.00000   -29.43502    50.05359
-     6.72925    -1.32153     0.00000   -19.63644    11.63958     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   8   290.00000   -43.01978
-   -41.93767    35.46829   -65.62386   -48.08425     0.00000     0.00000
-     1.44521    14.00541    -3.46566     0.00000   -27.89956    67.09850
-     7.48444    -0.19662     0.00000   -26.72069    13.76994     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   9   330.00000   -37.22007
-   -46.92153    24.35775   -29.63468   -18.72919     0.00000     0.00000
-     1.92841     6.59071     2.88784     0.00000   -28.62588    64.58733
-     4.58777    -0.35093     0.00000   -30.04103    19.73482     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  10   350.00000   -17.21010
-   -32.85186    17.25994   -20.35113   -12.41558     0.00000     0.00000
-     4.86122     6.44065     3.02021     0.00000   -28.66755    81.07511
-     2.36898     0.69600     0.00000   -25.41113    23.13030     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  11   370.00000   -16.29611
-   -37.98408    24.92962   -37.10986   -22.12604     0.00000     0.00000
-     5.55178     9.39783     2.64289     0.00000   -26.02877    59.45596
-     6.49546    -0.59710     0.00000   -22.44724    22.82502     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  12   360.00000    -8.34890
-   -28.24829    19.16684   -22.88570   -14.51931     0.00000     0.00000
-     6.45801     5.84816     2.23918     0.00000   -26.84159   112.21634
-     4.95674     0.29825     0.00000   -25.24437    14.70455     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  13   340.00000   -20.74267
-   -36.02456    25.02826   -36.09360   -23.94926     0.00000     0.00000
-    -0.67315     7.64965    -1.06001     0.00000   -33.40257    94.11565
-     7.75705     0.16025     0.00000   -29.38466    21.09135     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  14   380.00000   -13.35805
-   -30.83822    25.40645   -37.60224   -24.23862     0.00000     0.00000
-     1.94550     9.30819     1.26901     0.00000   -21.98505    76.86640
-     4.64099    -1.77883     0.00000   -32.91453    15.19330     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  15   390.00000   -10.57066
-   -30.78995    21.11210   -26.22946   -14.99758     0.00000     0.00000
-     3.54625     8.26257     3.60538     0.00000   -24.94586   104.10098
-     3.41418     0.34044     0.00000   -28.13352    14.20081     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  16   400.00000     4.67315
-   -24.88181    13.51934    -9.02630    -4.36188     0.00000     0.00000
-    13.53701     4.50214     3.13020     0.00000   -19.96293   108.47750
-     2.51575    -1.08898     0.00000   -16.44025    19.81379     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           1  nodes          16
- remd_m(1)           1
- i           4
- i           4  nupa(0,i)           1
- i           2  nupa(0,i)           1
- i           2  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           5  nupa(0,i)           1
- i           5  nupa(0,i)           1
- i           5  nupa(0,i)           1
- i           9  nupa(0,i)           1
- i           9  nupa(0,i)           1
- i          10  nupa(0,i)           1
- i          10  nupa(0,i)           1
- i          10  nupa(0,i)           1
- i          10  nupa(0,i)           1
- i          10  nupa(0,i)           1
+ REMD gather times=   184.914062500000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.50000    4
-ACC   2   260.00000     0.75000    4
-ACC   3   270.00000     0.75000    4
+ACC   2   260.00000     0.25000    4
+ACC   3   270.00000     1.00000    4
 ACC   4   280.00000     0.75000    4
-ACC   5   290.00000     0.75000    4
-ACC   6   300.00000     0.75000    4
-ACC   7   310.00000     1.00000    4
-ACC   8   320.00000     0.00000    4
-ACC   9   330.00000     0.75000    4
-ACC  10   340.00000     0.50000    4
+ACC   5   290.00000     0.50000    4
+ACC   6   300.00000     0.50000    4
+ACC   7   310.00000     0.50000    4
+ACC   8   320.00000     0.50000    4
+ACC   9   330.00000     1.00000    4
+ACC  10   340.00000     0.25000    4
 ACC  11   350.00000     1.00000    4
 ACC  12   360.00000     1.00000    4
-ACC  13   370.00000     0.25000    4
+ACC  13   370.00000     0.75000    4
 ACC  14   380.00000     1.00000    4
-ACC  15   390.00000     1.00000    4
+ACC  15   390.00000     0.75000    4
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   5.85520537392789     
+   11.1914277030609       split increased to            2  itime      401084 
+  itsplit           1
+ acceleration/energy drift too large   5.47528736735100     
+   39.9006581618372       split increased to            2  itime      401233 
+  itsplit           1
+ acceleration/energy drift too large   6.24649165066902     
+   26.3496783631124       split increased to            2  itime      401287 
+  itsplit           1
+ acceleration/energy drift too large   5.03548107969719     
+   27.8360541468611       split increased to            2  itime      401288 
+  itsplit           1
+ acceleration/energy drift too large   4.55219546603872     
+   18.7432090374252       split increased to            2  itime      401553 
+  itsplit           1
+ acceleration/energy drift too large   3.79570344607287     
+   16.7536089092949       split increased to            2  itime      402000 
+  itsplit           1
+ acceleration/energy drift too large   19.9538723098051     
+   136.778879083221       split increased to            2  itime      402813 
+  itsplit           1
+ acceleration/energy drift too large   11.9273881298698     
+   68.8112888160456       split increased to            2  itime      403052 
+  itsplit           1
+ acceleration/energy drift too large   5.64835318644978     
+   15.6124278053436       split increased to            2  itime      403166 
+  itsplit           1
+ acceleration/energy drift too large   4.90839944700627     
+   25.4769502323614       split increased to            2  itime      403544 
+  itsplit           1
+ acceleration/energy drift too large   6.37483150377316     
+   25.2365959619238       split increased to            2  itime      403869 
+  itsplit           1
+ acceleration/energy drift too large   11.5227019908042     
+   55.4968938038695       split increased to            2  itime      405255 
+  itsplit           1
+ acceleration/energy drift too large   3.02220635939265     
+   14.2158428337146       split increased to            2  itime      405801 
+  itsplit           1
+ acceleration/energy drift too large   5.47772949901818     
+   26.0468157683956       split increased to            2  itime      406650 
+  itsplit           1
+ acceleration/energy drift too large   4.88367454625760     
+   24.9833620350021       split increased to            2  itime      408576 
+  itsplit           1
+ acceleration/energy drift too large   2.96324011873706     
+   15.6625400097054       split increased to            2  itime      409020 
+  itsplit           1
+ acceleration/energy drift too large   12.0546227442799     
+   53.2811483112195       split increased to            2  itime      410659 
+  itsplit           1
+ acceleration/energy drift too large   4.83647582607957     
+   11.2679320782354       split increased to            2  itime      413242 
+  itsplit           1
+ acceleration/energy drift too large   5.42412142214840     
+   25.6003831424766       split increased to            2  itime      413823 
+  itsplit           1
+ acceleration/energy drift too large   4.12084032632098     
+   22.1955863811513       split increased to            2  itime      413826 
+  itsplit           1
+ acceleration/energy drift too large   4.35494142265173     
+   16.2509414984561       split increased to            2  itime      417039 
+  itsplit           1
+ acceleration/energy drift too large   3.01559189654776     
+   13.6322158034792       split increased to            2  itime      417578 
+  itsplit           1
+ acceleration/energy drift too large   3.02249475457727     
+   13.0137770781576       split increased to            2  itime      417598 
+  itsplit           1
+ acceleration/energy drift too large   5.99913042454337     
+   11.6864538119046       split increased to            2  itime      418902 
+  itsplit           1
+ acceleration/energy drift too large   8.01148815591671     
+   20.2788100622780       split increased to            2  itime      420993 
+  itsplit           1
+ acceleration/energy drift too large   4.91828907585418     
+   15.8151143999596       split increased to            2  itime      421330 
+  itsplit           1
+ acceleration/energy drift too large   2.85665406457499     
+   15.3684988491513       split increased to            2  itime      422274 
+  itsplit           1
+ acceleration/energy drift too large   2.99880757950521     
+   20.7329257606512       split increased to            2  itime      423159 
+  itsplit           1
+ acceleration/energy drift too large   6.37421859212173     
+   11.6086908359721       split increased to            2  itime      425490 
+  itsplit           1
+ acceleration/energy drift too large   5.02234296771294     
+   23.7231399436101       split increased to            2  itime      425502 
+  itsplit           1
+ acceleration/energy drift too large   5.12132303074461     
+   28.7307413438979       split increased to            2  itime      426011 
+  itsplit           1
+ acceleration/energy drift too large   4.28953906808678     
+   15.5810539210091       split increased to            2  itime      426986 
+  itsplit           1
+ acceleration/energy drift too large   5.34990711553365     
+   21.1831012560758       split increased to            2  itime      427636 
+  itsplit           1
+ acceleration/energy drift too large   2.95240172024907     
+   10.2312076087409       split increased to            2  itime      427912 
+  itsplit           1
+ acceleration/energy drift too large   11.3395487901503     
+   59.2552800860074       split increased to            2  itime      428078 
+  itsplit           1
+ acceleration/energy drift too large   3.35487217515315     
+   10.9826658480654       split increased to            2  itime      429206 
+  itsplit           1
+ acceleration/energy drift too large   4.17974198030410     
+   14.0497328569360       split increased to            2  itime      431060 
+  itsplit           1
+ acceleration/energy drift too large   2.40069357778661     
+   18.3301511781616       split increased to            2  itime      431061 
+  itsplit           1
+ acceleration/energy drift too large   2.60319023263794     
+   13.4381568243776       split increased to            2  itime      431895 
+  itsplit           1
+ acceleration/energy drift too large   7.68853048176571     
+   21.0400435076881       split increased to            2  itime      432669 
+  itsplit           1
+ acceleration/energy drift too large   3.74997833756420     
+   11.0986666311506       split increased to            2  itime      432689 
+  itsplit           1
+ acceleration/energy drift too large   4.48348175777877     
+   14.3333209238640       split increased to            2  itime      433554 
+  itsplit           1
+ acceleration/energy drift too large   3.20734873633366     
+   10.8983630472182       split increased to            2  itime      434040 
+  itsplit           1
+ acceleration/energy drift too large   3.04670744550587     
+   16.9233242865536       split increased to            2  itime      434130 
+  itsplit           1
+ acceleration/energy drift too large   4.64423433484755     
+   27.4863813192025       split increased to            2  itime      434237 
+  itsplit           1
+ acceleration/energy drift too large   2.90179637195793     
+   11.3017399816840       split increased to            2  itime      434284 
+  itsplit           1
+ acceleration/energy drift too large   5.73018814341032     
+   31.7301902903985       split increased to            2  itime      434464 
+  itsplit           1
+ acceleration/energy drift too large   4.09504432219197     
+   16.4862347990116       split increased to            2  itime      434572 
+  itsplit           1
+ acceleration/energy drift too large   4.80145640307585     
+   22.0339340632197       split increased to            2  itime      435182 
+  itsplit           1
+ acceleration/energy drift too large   4.13076452198420     
+   21.5117104689005       split increased to            2  itime      435690 
+  itsplit           1
+ acceleration/energy drift too large   1.73775289702704     
+   11.4840716332054       split increased to            2  itime      437247 
+  itsplit           1
+ acceleration/energy drift too large   5.48999206942759     
+   34.9135705829164       split increased to            2  itime      437751 
+  itsplit           1
+ acceleration/energy drift too large   3.72428381800589     
+   17.2985388005026       split increased to            2  itime      437822 
+  itsplit           1
+ acceleration/energy drift too large   3.27342280752035     
+   26.4686091349157       split increased to            2  itime      438342 
+  itsplit           1
+ acceleration/energy drift too large   7.79189491903860     
+   29.4669775516769       split increased to            2  itime      438575 
+  itsplit           1
+ acceleration/energy drift too large   5.16801698086677     
+   31.8882621646102       split increased to            2  itime      439244 
+  itsplit           1
+ acceleration/energy drift too large   9.18408479538560     
+   43.1997932594915       split increased to            2  itime      439449 
+  itsplit           1
+ acceleration/energy drift too large   4.09970844346303     
+   13.2471520322388       split increased to            2  itime      439451 
+  itsplit           1
+ acceleration/energy drift too large   4.78958898635655     
+   23.9868019719558       split increased to            2  itime      440687 
+  itsplit           1
+ acceleration/energy drift too large   3.83961939949008     
+   17.9522818425926       split increased to            2  itime      440953 
+  itsplit           1
+ acceleration/energy drift too large   3.59295343388282     
+   14.8007912762092       split increased to            2  itime      442747 
+  itsplit           1
+ acceleration/energy drift too large   3.27154019479899     
+   20.2807578406019       split increased to            2  itime      442977 
+  itsplit           1
+ acceleration/energy drift too large   5.31929647508473     
+   16.3257038680913       split increased to            2  itime      444172 
+  itsplit           1
+ acceleration/energy drift too large   5.05091822853998     
+   10.2937212369324       split increased to            2  itime      445847 
+  itsplit           1
+ acceleration/energy drift too large   6.81897530390985     
+   19.0702254260379       split increased to            2  itime      447267 
+  itsplit           1
+ acceleration/energy drift too large   8.84860238142054     
+   30.3071608394985       split increased to            2  itime      447472 
+  itsplit           1
+ acceleration/energy drift too large   4.60804289581258     
+   11.3648340782750       split increased to            2  itime      447524 
+  itsplit           1
+ acceleration/energy drift too large   4.51462168534791     
+   18.7633552544577       split increased to            2  itime      449284 
+  itsplit           1
+ acceleration/energy drift too large   6.50539329350082     
+   14.3662250443147       split increased to            2  itime      451754 
+  itsplit           1
+ acceleration/energy drift too large   5.99102483501965     
+   14.8406043192281       split increased to            2  itime      453255 
+  itsplit           1
+ acceleration/energy drift too large   2.34283276344341     
+   10.8449788881703       split increased to            2  itime      454881 
+  itsplit           1
+ acceleration/energy drift too large   2.88862527983168     
+   10.6158020828451       split increased to            2  itime      456046 
+  itsplit           1
+ acceleration/energy drift too large   3.45224943509093     
+   27.3806423741949       split increased to            2  itime      460953 
+  itsplit           1
+ acceleration/energy drift too large   9.78608930179663     
+   65.6222759930618       split increased to            2  itime      461725 
+  itsplit           1
+ acceleration/energy drift too large   2.61505775112932     
+   10.3176720714059       split increased to            2  itime      462973 
+  itsplit           1
+ acceleration/energy drift too large   3.23564212626803     
+   11.5624323967677       split increased to            2  itime      463795 
+  itsplit           1
+ acceleration/energy drift too large   5.85576824463566     
+   36.5527882995749       split increased to            2  itime      464010 
+  itsplit           1
+ acceleration/energy drift too large   9.92886712895449     
+   39.4818005433922       split increased to            2  itime      464763 
+  itsplit           1
+ acceleration/energy drift too large   2.31155506361289     
+   12.3737241897432       split increased to            2  itime      465120 
+  itsplit           1
+ acceleration/energy drift too large   5.71029719713249     
+   12.9447391886482       split increased to            2  itime      465304 
+  itsplit           1
+ acceleration/energy drift too large   3.71529365486043     
+   10.5965546312035       split increased to            2  itime      465408 
+  itsplit           1
+ acceleration/energy drift too large   5.04095527802420     
+   16.6845067872505       split increased to            2  itime      466581 
+  itsplit           1
+ acceleration/energy drift too large   3.17881117329178     
+   10.9486141388178       split increased to            2  itime      466652 
+  itsplit           1
+ acceleration/energy drift too large   6.12340982716428     
+   12.3587224576679       split increased to            2  itime      467446 
+  itsplit           1
+ acceleration/energy drift too large   6.42261678838877     
+   14.3127974791671       split increased to            2  itime      468163 
+  itsplit           1
+ acceleration/energy drift too large   5.34804721191135     
+   25.1248262260255       split increased to            2  itime      470390 
+  itsplit           1
+ acceleration/energy drift too large   2.78242516931406     
+   24.5686548768749       split increased to            2  itime      470391 
+  itsplit           1
+ acceleration/energy drift too large   5.40759402244583     
+   12.4338366409876       split increased to            2  itime      471315 
+  itsplit           1
+ acceleration/energy drift too large   3.43462081885611     
+   10.4570252408813       split increased to            2  itime      473371 
+  itsplit           1
+ acceleration/energy drift too large   4.21024612642277     
+   12.2012163864496       split increased to            2  itime      473849 
+  itsplit           1
+ acceleration/energy drift too large   6.47248342585038     
+   23.2750175444231       split increased to            2  itime      476562 
+  itsplit           1
+ acceleration/energy drift too large   4.40857045858804     
+   10.2928721662550       split increased to            2  itime      476563 
+  itsplit           1
+ acceleration/energy drift too large   5.73203882604110     
+   12.9272193324235       split increased to            2  itime      477965 
+  itsplit           1
+ acceleration/energy drift too large   4.59792919422320     
+   23.9741804227690       split increased to            2  itime      478397 
+  itsplit           1
+ acceleration/energy drift too large   2.12848418843641     
+   12.8294118053031       split increased to            2  itime      479376 
+  itsplit           1
+ acceleration/energy drift too large   3.34277430445103     
+   10.2341156419797       split increased to            2  itime      479989 
+  itsplit           1
+ acceleration/energy drift too large   4.10294673604326     
+   10.9425615649003       split increased to            2  itime      479994 
+  itsplit           1
+ acceleration/energy drift too large   3.91353713989020     
+   10.0254200136228       split increased to            2  itime      480019 
+  itsplit           1
+ acceleration/energy drift too large   12.7928639463399     
+   60.6093307597738       split increased to            2  itime      481130 
+  itsplit           1
+ acceleration/energy drift too large   4.54190447801872     
+   15.0966623236882       split increased to            2  itime      481436 
+  itsplit           1
+ acceleration/energy drift too large   11.3750151483190     
+   50.8460668713684       split increased to            2  itime      485004 
+  itsplit           1
+ acceleration/energy drift too large   2.95385848089599     
+   14.3594193685555       split increased to            4  itime      485004 
+  itsplit           2
+ acceleration/energy drift too large   6.73781478793935     
+   32.9454284995317       split increased to            2  itime      485322 
+  itsplit           1
+ acceleration/energy drift too large   5.75179019349930     
+   18.1874617364143       split increased to            2  itime      486692 
+  itsplit           1
+ acceleration/energy drift too large   3.71394957508847     
+   10.7017947596753       split increased to            2  itime      488013 
+  itsplit           1
+ acceleration/energy drift too large   5.30188558781754     
+   14.2334926654815       split increased to            2  itime      490550 
+  itsplit           1
+ acceleration/energy drift too large   4.55094542654810     
+   25.6245229913296       split increased to            2  itime      492231 
+  itsplit           1
+ acceleration/energy drift too large   4.80713564381476     
+   17.9145273120508       split increased to            2  itime      493027 
+  itsplit           1
+ acceleration/energy drift too large   3.66561499835934     
+   14.7155455736880       split increased to            2  itime      493152 
+  itsplit           1
+ acceleration/energy drift too large   3.95819541109023     
+   10.7746336122154       split increased to            2  itime      493157 
+  itsplit           1
+ acceleration/energy drift too large   4.20281664887109     
+   11.7441760308973       split increased to            2  itime      493173 
+  itsplit           1
+ acceleration/energy drift too large   3.80692589539098     
+   11.2696311252196       split increased to            2  itime      493191 
+  itsplit           1
+ acceleration/energy drift too large   4.18003772677921     
+   11.5727112451472       split increased to            2  itime      493215 
+  itsplit           1
+ acceleration/energy drift too large   4.36529927874289     
+   18.5264721926763       split increased to            2  itime      493661 
+  itsplit           1
+ acceleration/energy drift too large   4.19693770726016     
+   12.2054542295134       split increased to            2  itime      493829 
+  itsplit           1
+ acceleration/energy drift too large   6.53661152734394     
+   12.5302550482339       split increased to            2  itime      499372 
+  itsplit           1
+ acceleration/energy drift too large   3.22997621892815     
+   13.6338618568845       split increased to            2  itime      499697 
+  itsplit           1
  REMD synchro at      500000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   184.902343750000       0.000000000000000E+000
+ REMD gather times=   230.730468750000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
-   1   310.00000   -22.95287
-   -37.84036    31.11192   -56.04894   -40.93099     0.00000     0.00000
-     4.43499    14.22469     0.30094     0.00000   -32.32954    66.71617
-     9.42706    -1.77200     0.00000   -34.12508    24.66176     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   270.00000   -60.40464
-   -40.45816    49.92260  -106.34886   -78.79906     0.00000     0.00000
-    -7.29181    19.52764    -2.12792     0.00000   -33.85381    73.50910
-     9.34126    -0.05628     0.00000     2.52665     8.90691     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   260.00000   -49.59287
-   -43.62665    53.78242  -111.96135   -83.56831     0.00000     0.00000
-    -0.28055    20.63014    -3.95672     0.00000   -27.58141    60.46984
-     9.07713    -1.66288     0.00000    23.38277    21.17032     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   250.00000   -59.91067
-   -43.59519    63.92255  -134.40879   -98.46938     0.00000     0.00000
-    -7.29141    19.55003    -8.77481     0.00000   -19.52444    73.89718
-     8.36062     1.05986     0.00000    41.31443    14.23143     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   320.00000   -26.92779
-   -34.99024    33.78621   -57.85594   -37.60531     0.00000     0.00000
-    -5.09147    12.12786    -3.55265     0.00000   -30.24517    94.52995
-     5.44977     0.92001     0.00000   -25.25128    14.55689     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   300.00000   -40.46581
-   -43.32357    42.74727   -80.55608   -60.72142     0.00000     0.00000
-     0.95775    17.17315    -2.01612     0.00000   -33.87851    85.10705
-     8.70482     0.07530     0.00000   -20.49048    15.58294     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   290.00000   -45.64814
-   -42.93956    32.58962   -55.72545   -36.67552     0.00000     0.00000
-     4.02899    11.42389    -2.67572     0.00000   -33.76195    64.04015
-     6.12643     2.43149     0.00000   -27.47976    13.87960     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   8   280.00000   -48.94857
-   -44.67611    47.97446   -91.67703   -66.74920     0.00000     0.00000
-    -2.88460    18.71016    -4.41357     0.00000   -33.65829    93.46131
-     7.63654    -0.14951     0.00000    -8.17336    13.99605     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   9   340.00000   -24.20072
-   -42.34942    27.61121   -41.44962   -29.73056     0.00000     0.00000
-     2.43399     9.90477     1.73588     0.00000   -29.15541    90.04918
-     6.54119    -0.34608     0.00000   -30.25547    21.27056     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  10   400.00000    -5.00110
-   -21.46598    11.26011    -5.49735    -2.73819     0.00000     0.00000
-    10.20192     2.50576     5.74364     0.00000   -21.25952    97.99785
-    -0.18277    -1.57884     0.00000   -15.08576    16.19095     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  11   360.00000   -19.76051
-   -30.74974    17.25420   -19.51401   -12.35869     0.00000     0.00000
-     1.15473     4.60011     3.63612     0.00000   -24.74180    86.07590
-     5.13682    -1.12147     0.00000   -26.33678    12.00541     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  12   350.00000   -23.53171
-   -36.84224    25.97535   -36.22958   -22.84578     0.00000     0.00000
-     1.87174     8.74918     0.25154     0.00000   -26.92866    69.93576
-     3.74620    -0.62302     0.00000   -32.84098    20.01648     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  13   330.00000   -19.08322
-   -34.63109    22.02880   -25.94498   -15.81873     0.00000     0.00000
-     4.34688     6.05709     1.64904     0.00000   -23.62877    60.44533
-     5.11610    -2.55393     0.00000   -31.98614    19.82215     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  14   370.00000   -22.48789
-   -36.82832    21.03139   -21.20493   -12.84048     0.00000     0.00000
-     1.62628     5.65011     3.39300     0.00000   -27.85725    69.75333
-     3.24569    -0.84488     0.00000   -28.93421    20.82531     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  15   380.00000   -13.07844
-   -33.35002    21.76398   -28.79411   -17.82894     0.00000     0.00000
-     5.62967     7.15664     2.79481     0.00000   -23.15512    69.81190
-     4.13867    -1.06239     0.00000   -23.79723    20.91093     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  16   390.00000     5.04340
-   -21.53189    14.65297   -10.94897    -6.26161     0.00000     0.00000
-    12.64140     4.48583     4.17256     0.00000   -15.11365    67.69753
-     2.59445    -2.35670     0.00000   -21.26950    17.75922     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           1  nodes          16
- remd_m(1)           1
- i           4
- i           4  nupa(0,i)           1
- i           3  nupa(0,i)           1
- i           3  nupa(0,i)           1
- i           8  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i          13  nupa(0,i)           1
- i          13  nupa(0,i)           1
- i          13  nupa(0,i)           1
- i          13  nupa(0,i)           1
- i          13  nupa(0,i)           1
- i          13  nupa(0,i)           1
- i          13  nupa(0,i)           1
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.40000    5
-ACC   2   260.00000     0.80000    5
-ACC   3   270.00000     0.60000    5
+ACC   2   260.00000     0.40000    5
+ACC   3   270.00000     1.00000    5
 ACC   4   280.00000     0.60000    5
-ACC   5   290.00000     0.80000    5
+ACC   5   290.00000     0.40000    5
 ACC   6   300.00000     0.60000    5
-ACC   7   310.00000     1.00000    5
-ACC   8   320.00000     0.00000    5
-ACC   9   330.00000     0.80000    5
-ACC  10   340.00000     0.60000    5
+ACC   7   310.00000     0.60000    5
+ACC   8   320.00000     0.40000    5
+ACC   9   330.00000     1.00000    5
+ACC  10   340.00000     0.40000    5
 ACC  11   350.00000     1.00000    5
 ACC  12   360.00000     1.00000    5
-ACC  13   370.00000     0.40000    5
-ACC  14   380.00000     1.00000    5
+ACC  13   370.00000     0.80000    5
+ACC  14   380.00000     0.80000    5
 ACC  15   390.00000     0.80000    5
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   7.30114365090927     
+   20.9394571298247       split increased to            2  itime      502331 
+  itsplit           1
+ acceleration/energy drift too large   6.26211787725750     
+   31.3065781609040       split increased to            2  itime      502554 
+  itsplit           1
+ acceleration/energy drift too large   2.81716055666825     
+   18.0445010356465       split increased to            2  itime      502946 
+  itsplit           1
+ acceleration/energy drift too large   2.46298337975733     
+   11.1344969262833       split increased to            2  itime      503043 
+  itsplit           1
+ acceleration/energy drift too large   3.43937504573531     
+   10.6345801227653       split increased to            2  itime      504149 
+  itsplit           1
+ acceleration/energy drift too large   2.97273473172716     
+   26.1550591522357       split increased to            2  itime      504299 
+  itsplit           1
+ acceleration/energy drift too large   4.23642920834176     
+   10.6472833315762       split increased to            2  itime      506897 
+  itsplit           1
+ acceleration/energy drift too large   5.70728485372897     
+   19.7893702394482       split increased to            2  itime      507928 
+  itsplit           1
+ acceleration/energy drift too large   5.45159875596180     
+   18.5180835782251       split increased to            2  itime      517317 
+  itsplit           1
+ acceleration/energy drift too large   4.55455490539076     
+   14.7463576593996       split increased to            2  itime      517322 
+  itsplit           1
+ acceleration/energy drift too large   5.27560899024421     
+   13.4634524855430       split increased to            2  itime      517329 
+  itsplit           1
+ acceleration/energy drift too large   3.79898697287969     
+   13.5417032333128       split increased to            2  itime      517332 
+  itsplit           1
+ acceleration/energy drift too large   3.08504290932879     
+   10.6601394350086       split increased to            2  itime      517339 
+  itsplit           1
+ acceleration/energy drift too large   2.37603168964617     
+   12.5844220606046       split increased to            2  itime      520358 
+  itsplit           1
+ acceleration/energy drift too large   3.32873269198684     
+   15.1015445544590       split increased to            2  itime      523336 
+  itsplit           1
+ acceleration/energy drift too large   2.60979726024562     
+   10.9126520420714       split increased to            2  itime      525819 
+  itsplit           1
+ acceleration/energy drift too large   5.07575040208828     
+   11.6821543637996       split increased to            2  itime      529018 
+  itsplit           1
+ acceleration/energy drift too large   4.20209240193991     
+   10.9130647133098       split increased to            2  itime      529975 
+  itsplit           1
+ acceleration/energy drift too large   13.4082027926156     
+   73.6558333036112       split increased to            2  itime      529992 
+  itsplit           1
+ acceleration/energy drift too large   3.80119032501309     
+   11.0699009840681       split increased to            2  itime      530232 
+  itsplit           1
+ acceleration/energy drift too large   2.98605614779717     
+   10.6724572554363       split increased to            2  itime      533054 
+  itsplit           1
+ acceleration/energy drift too large   9.57394826980568     
+   42.9715071694810       split increased to            2  itime      533992 
+  itsplit           1
+ acceleration/energy drift too large   4.02730862918485     
+   14.8626080714087       split increased to            2  itime      534372 
+  itsplit           1
+ acceleration/energy drift too large   3.46246317816392     
+   10.0454823044400       split increased to            2  itime      537465 
+  itsplit           1
+ acceleration/energy drift too large   4.04660294147892     
+   15.9914207930171       split increased to            2  itime      537700 
+  itsplit           1
+ acceleration/energy drift too large   5.55080564240151     
+   16.3683074359074       split increased to            2  itime      537911 
+  itsplit           1
+ acceleration/energy drift too large   6.63989027623059     
+   29.8565402920517       split increased to            2  itime      539565 
+  itsplit           1
+ acceleration/energy drift too large   2.81050018221707     
+   11.6060182178007       split increased to            2  itime      539566 
+  itsplit           1
+ acceleration/energy drift too large   5.95284111627369     
+   14.0649950692351       split increased to            2  itime      540302 
+  itsplit           1
+ acceleration/energy drift too large   7.09360729157836     
+   10.7262803198705       split increased to            2  itime      540410 
+  itsplit           1
+ acceleration/energy drift too large   5.63880785662400     
+   11.0318395926678       split increased to            2  itime      545890 
+  itsplit           1
+ acceleration/energy drift too large   2.49437492343314     
+   10.0347659241073       split increased to            2  itime      546807 
+  itsplit           1
+ acceleration/energy drift too large   3.63743535995864     
+   10.0076749866076       split increased to            2  itime      547449 
+  itsplit           1
+ acceleration/energy drift too large   3.95117335442258     
+   10.4167672025112       split increased to            2  itime      547488 
+  itsplit           1
+ acceleration/energy drift too large   4.74935729339690     
+   12.9214419287871       split increased to            2  itime      548129 
+  itsplit           1
+ acceleration/energy drift too large   10.0884893980159     
+   41.2438904906627       split increased to            2  itime      550487 
+  itsplit           1
+ acceleration/energy drift too large   4.71146897940437     
+   14.2887898261252       split increased to            2  itime      552582 
+  itsplit           1
+ acceleration/energy drift too large   3.62359574299086     
+   11.3104932815932       split increased to            2  itime      557420 
+  itsplit           1
+ acceleration/energy drift too large   2.86531866870884     
+   18.2563479095014       split increased to            2  itime      560575 
+  itsplit           1
+ acceleration/energy drift too large   9.07946034675849     
+   40.3637864993900       split increased to            2  itime      560775 
+  itsplit           1
+ acceleration/energy drift too large   4.92664549662622     
+   17.8262044491680       split increased to            2  itime      561676 
+  itsplit           1
+ acceleration/energy drift too large   3.63167671454263     
+   21.3158140084775       split increased to            2  itime      562488 
+  itsplit           1
+ acceleration/energy drift too large   6.14833937579058     
+   19.0284321531864       split increased to            2  itime      564835 
+  itsplit           1
+ acceleration/energy drift too large   5.31218597606807     
+   27.5206834052218       split increased to            2  itime      565752 
+  itsplit           1
+ acceleration/energy drift too large   3.94915216318044     
+   13.8232331522680       split increased to            2  itime      565965 
+  itsplit           1
+ acceleration/energy drift too large   6.56317583403199     
+   27.8624290733322       split increased to            2  itime      566005 
+  itsplit           1
+ acceleration/energy drift too large   6.05701461196987     
+   26.0334320096697       split increased to            2  itime      566031 
+  itsplit           1
+ acceleration/energy drift too large   7.44675016186477     
+   18.6865454596865       split increased to            2  itime      567409 
+  itsplit           1
+ acceleration/energy drift too large   4.81307184554761     
+   22.8714744854257       split increased to            2  itime      568270 
+  itsplit           1
+ acceleration/energy drift too large   3.75155236127697     
+   11.6470422075794       split increased to            2  itime      569317 
+  itsplit           1
+ acceleration/energy drift too large   3.67570471140136     
+   11.0474518031134       split increased to            2  itime      569475 
+  itsplit           1
+ acceleration/energy drift too large   1.87697756897298     
+   14.8192601672599       split increased to            2  itime      570696 
+  itsplit           1
+ acceleration/energy drift too large   5.56461665357079     
+   22.0407419031899       split increased to            2  itime      570949 
+  itsplit           1
+ acceleration/energy drift too large   5.36236926383735     
+   19.6472550812229       split increased to            2  itime      571178 
+  itsplit           1
+ acceleration/energy drift too large   6.43929639997378     
+   30.0854308657386       split increased to            2  itime      571738 
+  itsplit           1
+ acceleration/energy drift too large   3.69808561086469     
+   23.9746737579481       split increased to            2  itime      573027 
+  itsplit           1
+ acceleration/energy drift too large   2.38671373076949     
+   11.6830570094362       split increased to            2  itime      574471 
+  itsplit           1
+ acceleration/energy drift too large   6.41069769738161     
+   20.2369633875372       split increased to            2  itime      575110 
+  itsplit           1
+ acceleration/energy drift too large   5.82872781088437     
+   19.9537898261134       split increased to            2  itime      575320 
+  itsplit           1
+ acceleration/energy drift too large   4.97331465591048     
+   11.5439871796580       split increased to            2  itime      575654 
+  itsplit           1
+ acceleration/energy drift too large   5.83891992281162     
+   37.1804672026027       split increased to            2  itime      576539 
+  itsplit           1
+ acceleration/energy drift too large   4.98708412964233     
+   11.3260585633133       split increased to            2  itime      576964 
+  itsplit           1
+ acceleration/energy drift too large   4.31776881096963     
+   16.0826320045904       split increased to            2  itime      577008 
+  itsplit           1
+ acceleration/energy drift too large   3.28643854525381     
+   16.9459737999462       split increased to            2  itime      577532 
+  itsplit           1
+ acceleration/energy drift too large   2.95839716723756     
+   19.2974267331848       split increased to            2  itime      578299 
+  itsplit           1
+ acceleration/energy drift too large   5.81997251798191     
+   15.6667366752339       split increased to            2  itime      578493 
+  itsplit           1
+ acceleration/energy drift too large   3.48459178352279     
+   14.9266720901950       split increased to            2  itime      579225 
+  itsplit           1
+ acceleration/energy drift too large   13.7251441580511     
+   83.1693201180353       split increased to            2  itime      581689 
+  itsplit           1
+ acceleration/energy drift too large   3.50760731700830     
+   11.6473558376562       split increased to            2  itime      582007 
+  itsplit           1
+ acceleration/energy drift too large   3.27923255810349     
+   17.2739375586633       split increased to            2  itime      582044 
+  itsplit           1
+ acceleration/energy drift too large   2.32086410732743     
+   11.7303843680063       split increased to            2  itime      582131 
+  itsplit           1
+ acceleration/energy drift too large   1.64687033180033     
+   13.0770532939428       split increased to            2  itime      583017 
+  itsplit           1
+ acceleration/energy drift too large   7.15685786998817     
+   23.9896443636178       split increased to            2  itime      583555 
+  itsplit           1
+ acceleration/energy drift too large   2.43675816113552     
+   14.4562072529101       split increased to            2  itime      583556 
+  itsplit           1
+ acceleration/energy drift too large   2.61012515337766     
+   21.3193850112083       split increased to            2  itime      584130 
+  itsplit           1
+ acceleration/energy drift too large   2.77317764221896     
+   15.5157664619331       split increased to            2  itime      586140 
+  itsplit           1
+ acceleration/energy drift too large   2.41866022202931     
+   10.5865252856427       split increased to            2  itime      586233 
+  itsplit           1
+ acceleration/energy drift too large   6.02950707449041     
+   22.3707802562223       split increased to            2  itime      586933 
+  itsplit           1
+ acceleration/energy drift too large   5.13643172748779     
+   15.7264187094901       split increased to            2  itime      587066 
+  itsplit           1
+ acceleration/energy drift too large   2.86565350779000     
+   14.0258079763188       split increased to            2  itime      587267 
+  itsplit           1
+ acceleration/energy drift too large   3.60748899172053     
+   16.6118182660075       split increased to            2  itime      587522 
+  itsplit           1
+ acceleration/energy drift too large   2.89715010258460     
+   15.4734431709545       split increased to            2  itime      587715 
+  itsplit           1
+ acceleration/energy drift too large   2.73624002781895     
+   11.3659808582786       split increased to            2  itime      589283 
+  itsplit           1
+ acceleration/energy drift too large   4.63314860651889     
+   19.5059934063783       split increased to            2  itime      589423 
+  itsplit           1
+ acceleration/energy drift too large   3.78841225335529     
+   11.7407192292669       split increased to            2  itime      589439 
+  itsplit           1
+ acceleration/energy drift too large   3.43705033943645     
+   13.2359207393840       split increased to            2  itime      589707 
+  itsplit           1
+ acceleration/energy drift too large   6.01090090755401     
+   16.9237582489499       split increased to            2  itime      589773 
+  itsplit           1
+ acceleration/energy drift too large   6.08372077980445     
+   14.8411270843003       split increased to            2  itime      589780 
+  itsplit           1
+ acceleration/energy drift too large   2.47645235877464     
+   16.0610479982983       split increased to            2  itime      589781 
+  itsplit           1
+ acceleration/energy drift too large   3.83621357893593     
+   16.0376715411910       split increased to            2  itime      593076 
+  itsplit           1
+ acceleration/energy drift too large   2.86916728074083     
+   18.4363552986017       split increased to            2  itime      593480 
+  itsplit           1
+ acceleration/energy drift too large   3.98869822545720     
+   17.7868674122062       split increased to            2  itime      594524 
+  itsplit           1
+ acceleration/energy drift too large   4.63749766789932     
+   16.0839694610795       split increased to            2  itime      594574 
+  itsplit           1
+ acceleration/energy drift too large   2.41391982523621     
+   14.7971190021264       split increased to            2  itime      595027 
+  itsplit           1
+ acceleration/energy drift too large   3.00813134160393     
+   10.8179363274071       split increased to            2  itime      595453 
+  itsplit           1
+ acceleration/energy drift too large   5.48395278199503     
+   20.7136169943632       split increased to            2  itime      596064 
+  itsplit           1
+ acceleration/energy drift too large   3.51163075698958     
+   12.5492787586556       split increased to            2  itime      596076 
+  itsplit           1
+ acceleration/energy drift too large   4.66035840547395     
+   11.3375348174304       split increased to            2  itime      597469 
+  itsplit           1
+ acceleration/energy drift too large   3.93737093129494     
+   16.6011628452674       split increased to            2  itime      597474 
+  itsplit           1
+ acceleration/energy drift too large   4.02003887033967     
+   12.4515520434023       split increased to            2  itime      597660 
+  itsplit           1
+ acceleration/energy drift too large   3.16871837796467     
+   13.3445464973711       split increased to            2  itime      597685 
+  itsplit           1
+ acceleration/energy drift too large   2.63213636543151     
+   11.6412359757452       split increased to            2  itime      599844 
+  itsplit           1
  REMD synchro at      600000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   223.453125000000       0.000000000000000E+000
+ REMD gather times=   277.093750000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  7.812500000000000E-003
- REMD exchange temp,ene
-   1   320.00000   -29.48477
-   -36.52666    31.94333   -61.22262   -44.09779     0.00000     0.00000
-     2.37741    14.11744    -3.80325     0.00000   -31.72708    80.83570
-     7.01537     0.19329     0.00000   -27.05699    19.91128     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   260.00000   -54.26223
-   -46.96860    50.10074   -98.25793   -72.75355     0.00000     0.00000
-    -4.58176    18.28506    -6.08678     0.00000   -29.85893    81.37371
-     8.58771     0.84902     0.00000   -34.39823    19.73499     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   270.00000   -52.97749
-   -46.10165    42.04555   -79.17813   -57.65507     0.00000     0.00000
-     0.21906    16.35009    -2.98889     0.00000   -29.56936    65.00011
-     7.35726    -0.82398     0.00000   -25.26260    15.49073     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   250.00000   -56.91604
-   -49.45542    59.41398  -117.78642   -85.80870     0.00000     0.00000
-    -5.15665    20.44757    -1.23662     0.00000   -32.83238    82.25546
-     8.97273     0.43862     0.00000    21.99849    18.78316     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   310.00000   -30.31740
-   -40.42527    25.86496   -36.16179   -24.93121     0.00000     0.00000
-     0.49238     9.31588    -0.82691     0.00000   -30.78222    70.50821
-     3.19817     0.40274     0.00000   -31.65778    24.22747     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   290.00000   -32.02804
-   -35.90065    36.98446   -73.56563   -53.48945     0.00000     0.00000
-    -1.34140    16.44279    -4.98472     0.00000   -31.29515    91.18206
-     5.85931     1.12318     0.00000   -26.71063    20.79180     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   300.00000   -26.29053
-   -31.76069    24.60316   -39.66943   -25.53503     0.00000     0.00000
-     2.22108     9.04003    -1.18656     0.00000   -28.92052    82.06419
-     6.98241    -0.17639     0.00000   -25.90128    10.93265     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   8   280.00000   -46.99474
-   -39.87279    43.21948   -87.50633   -65.85565     0.00000     0.00000
-    -0.79862    17.33690    -0.92139     0.00000   -33.93619   102.97589
-     9.43469    -2.08056     0.00000    -3.49661    10.82034     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   9   330.00000   -27.60859
-   -40.35113    22.53113   -26.67770   -18.09045     0.00000     0.00000
-     5.99092     7.71043     4.25260     0.00000   -27.22312    79.54487
-     5.23779    -1.99884     0.00000   -32.78154    15.55739     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  10   400.00000   -10.61885
-   -36.70980    22.08380   -22.57474   -13.75765     0.00000     0.00000
-    -2.34913     6.77599     1.57320     0.00000   -21.72450    77.91555
-     0.95631     0.16082     0.00000   -27.16422    25.73165     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  11   350.00000   -35.26255
-   -42.02008    23.25464   -31.29363   -20.68149     0.00000     0.00000
-     1.14271     8.98484     0.11531     0.00000   -24.53130    63.26367
-     4.83295    -1.45856     0.00000   -27.56324    12.52383     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  12   340.00000   -17.29825
-   -34.83266    22.64181   -23.25224   -14.77692     0.00000     0.00000
-     7.81488     6.20572     5.32749     0.00000   -21.68140    80.77137
-     2.16072    -0.96321     0.00000   -31.59187    13.81993     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  13   390.00000   -13.28680
-   -32.79510    16.64566   -11.69613    -7.60199     0.00000     0.00000
-     5.23489     2.95949     5.61024     0.00000   -23.42163    82.53349
-     2.88590     1.81088     0.00000   -22.66147    16.64952     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  14   360.00000   -13.30640
-   -36.29057    23.26581   -20.93494   -11.50562     0.00000     0.00000
-    10.26055     2.03859     7.91089     0.00000   -22.19198    96.95821
-     2.46786    -1.99204     0.00000   -26.98316    18.45157     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  15   370.00000   -16.11788
-   -31.70443    22.83022   -30.00856   -18.03166     0.00000     0.00000
-     0.36895     8.52664     3.15549     0.00000   -28.20804    67.50380
-     4.26876     0.12271     0.00000   -25.11169    18.36307     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  16   380.00000    12.80397
-   -23.92715    15.24858   -13.82821    -8.82677     0.00000     0.00000
-     6.26276     3.99388     3.71615     0.00000   -19.23178   119.92317
-     3.50524     0.82055     0.00000   -23.22241    22.92043     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           1  nodes          16
- remd_m(1)           1
- i           4
- i           4  nupa(0,i)           1
- i           4  nupa(0,i)           1
- i           3  nupa(0,i)           1
- i           3  nupa(0,i)           1
- i           6  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i          12  nupa(0,i)           1
- i          12  nupa(0,i)           1
- i          12  nupa(0,i)           1
- i          12  nupa(0,i)           1
- i          12  nupa(0,i)           1
- i          13  nupa(0,i)           1
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.50000    6
-ACC   2   260.00000     0.66667    6
-ACC   3   270.00000     0.66667    6
-ACC   4   280.00000     0.50000    6
-ACC   5   290.00000     0.66667    6
+ACC   1   250.00000     0.33333    6
+ACC   2   260.00000     0.33333    6
+ACC   3   270.00000     1.00000    6
+ACC   4   280.00000     0.66667    6
+ACC   5   290.00000     0.33333    6
 ACC   6   300.00000     0.66667    6
-ACC   7   310.00000     1.00000    6
-ACC   8   320.00000     0.16667    6
-ACC   9   330.00000     0.66667    6
-ACC  10   340.00000     0.66667    6
+ACC   7   310.00000     0.66667    6
+ACC   8   320.00000     0.33333    6
+ACC   9   330.00000     1.00000    6
+ACC  10   340.00000     0.50000    6
 ACC  11   350.00000     1.00000    6
 ACC  12   360.00000     1.00000    6
-ACC  13   370.00000     0.50000    6
+ACC  13   370.00000     0.83333    6
 ACC  14   380.00000     0.83333    6
 ACC  15   390.00000     0.83333    6
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  1.171875000000000E-002
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   7.01611464883391     
+   44.3108189806254       split increased to            2  itime      601387 
+  itsplit           1
+ acceleration/energy drift too large   5.69333424049076     
+   10.3163268292654       split increased to            2  itime      601403 
+  itsplit           1
+ acceleration/energy drift too large   4.16917560536961     
+   10.8427023909753       split increased to            2  itime      601711 
+  itsplit           1
+ acceleration/energy drift too large   5.35440879182324     
+   28.4311634772663       split increased to            2  itime      602360 
+  itsplit           1
+ acceleration/energy drift too large   4.48804727528191     
+   11.2325500361377       split increased to            2  itime      602451 
+  itsplit           1
+ acceleration/energy drift too large   3.43990955306464     
+   10.1672216914247       split increased to            2  itime      602519 
+  itsplit           1
+ acceleration/energy drift too large   5.70808053562732     
+   11.5910532056009       split increased to            2  itime      604307 
+  itsplit           1
+ acceleration/energy drift too large   5.47660466565129     
+   26.3638007120320       split increased to            2  itime      604766 
+  itsplit           1
+ acceleration/energy drift too large   2.39706342402944     
+   12.9398969113297       split increased to            2  itime      604770 
+  itsplit           1
+ acceleration/energy drift too large   3.14563232042270     
+   16.2269576200364       split increased to            2  itime      604771 
+  itsplit           1
+ acceleration/energy drift too large   3.44497706677758     
+   13.3478903836961       split increased to            2  itime      604773 
+  itsplit           1
+ acceleration/energy drift too large   5.28734884359665     
+   31.9169402442888       split increased to            2  itime      604922 
+  itsplit           1
+ acceleration/energy drift too large   5.83948179762637     
+   20.1510828891808       split increased to            2  itime      604956 
+  itsplit           1
+ acceleration/energy drift too large   3.58154961261564     
+   29.5493332576752       split increased to            2  itime      605157 
+  itsplit           1
+ acceleration/energy drift too large   3.21590251787873     
+   11.9840988297477       split increased to            2  itime      605187 
+  itsplit           1
+ acceleration/energy drift too large   3.39344636872984     
+   13.3225561141630       split increased to            2  itime      606060 
+  itsplit           1
+ acceleration/energy drift too large   3.28524809087988     
+   11.0463691404064       split increased to            2  itime      606158 
+  itsplit           1
+ acceleration/energy drift too large   2.46838488797357     
+   11.3078408273286       split increased to            2  itime      606500 
+  itsplit           1
+ acceleration/energy drift too large   3.06744166322062     
+   17.1474926660124       split increased to            2  itime      606669 
+  itsplit           1
+ acceleration/energy drift too large   4.64026065121936     
+   14.2522661116315       split increased to            2  itime      606702 
+  itsplit           1
+ acceleration/energy drift too large   3.16764544630323     
+   11.7583156065221       split increased to            2  itime      606726 
+  itsplit           1
+ acceleration/energy drift too large   4.66786541890788     
+   10.9822644946310       split increased to            2  itime      606727 
+  itsplit           1
+ acceleration/energy drift too large   4.74019081154017     
+   23.8003662942331       split increased to            2  itime      607510 
+  itsplit           1
+ acceleration/energy drift too large   4.66236926285537     
+   29.1085087213740       split increased to            2  itime      607578 
+  itsplit           1
+ acceleration/energy drift too large   2.77756234896973     
+   17.7868745705893       split increased to            2  itime      607692 
+  itsplit           1
+ acceleration/energy drift too large   2.84883714639050     
+   19.9478553482221       split increased to            2  itime      608312 
+  itsplit           1
+ acceleration/energy drift too large   3.53160122879718     
+   12.5962899897486       split increased to            2  itime      608387 
+  itsplit           1
+ acceleration/energy drift too large   2.33385373566345     
+   10.1024071661288       split increased to            2  itime      608415 
+  itsplit           1
+ acceleration/energy drift too large   5.56107298895505     
+   30.6517930214951       split increased to            2  itime      609168 
+  itsplit           1
+ acceleration/energy drift too large   5.50582967897067     
+   23.0723098916497       split increased to            2  itime      610951 
+  itsplit           1
+ acceleration/energy drift too large   5.08559012744575     
+   20.2368257655558       split increased to            2  itime      611276 
+  itsplit           1
+ acceleration/energy drift too large   5.48599512431033     
+   21.2366813104581       split increased to            2  itime      611412 
+  itsplit           1
+ acceleration/energy drift too large   4.28485971507573     
+   14.9819523147081       split increased to            2  itime      612726 
+  itsplit           1
+ acceleration/energy drift too large   4.41954986475502     
+   15.9390654926144       split increased to            2  itime      612752 
+  itsplit           1
+ acceleration/energy drift too large   6.38121746961199     
+   18.4983527608401       split increased to            2  itime      613048 
+  itsplit           1
+ acceleration/energy drift too large   5.31948613696339     
+   36.0415184689782       split increased to            2  itime      613340 
+  itsplit           1
+ acceleration/energy drift too large   5.94743040221702     
+   25.2530087626529       split increased to            2  itime      613546 
+  itsplit           1
+ acceleration/energy drift too large   5.44936880944909     
+   12.7232886367468       split increased to            2  itime      617290 
+  itsplit           1
+ acceleration/energy drift too large   4.12066793546654     
+   15.8114240724834       split increased to            2  itime      618143 
+  itsplit           1
+ acceleration/energy drift too large   10.8229962009036     
+   66.6991359723763       split increased to            2  itime      618419 
+  itsplit           1
+ acceleration/energy drift too large   5.48929827706529     
+   13.8706077252812       split increased to            2  itime      618622 
+  itsplit           1
+ acceleration/energy drift too large   4.70070977011950     
+   18.2789850053721       split increased to            2  itime      619186 
+  itsplit           1
+ acceleration/energy drift too large   7.05546238999264     
+   17.4773737794607       split increased to            2  itime      619640 
+  itsplit           1
+ acceleration/energy drift too large   3.82522694402992     
+   15.2087412727628       split increased to            2  itime      619907 
+  itsplit           1
+ acceleration/energy drift too large   4.49011694859123     
+   10.3650071973379       split increased to            2  itime      621584 
+  itsplit           1
+ acceleration/energy drift too large   3.18478992178142     
+   17.9840849716397       split increased to            2  itime      622186 
+  itsplit           1
+ acceleration/energy drift too large   4.44770134326738     
+   16.0218159993251       split increased to            2  itime      623026 
+  itsplit           1
+ acceleration/energy drift too large   3.57316351360784     
+   11.0399025516856       split increased to            2  itime      623284 
+  itsplit           1
+ acceleration/energy drift too large   6.51212376695020     
+   16.4470187761603       split increased to            2  itime      623992 
+  itsplit           1
+ acceleration/energy drift too large   11.5112229520201     
+   47.7420705103172       split increased to            2  itime      625061 
+  itsplit           1
+ acceleration/energy drift too large   2.84191768254016     
+   11.8704055174515       split increased to            2  itime      625062 
+  itsplit           1
+ acceleration/energy drift too large   2.38963857434066     
+   17.1227200350575       split increased to            2  itime      625202 
+  itsplit           1
+ acceleration/energy drift too large   3.15468649133609     
+   11.0545510277622       split increased to            2  itime      626338 
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  REMD synchro at      700000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   260.054687500000       0.000000000000000E+000
- REMD writing rst time=  7.812500000000000E-003
- REMD writing traj time=  0.000000000000000E+000
- REMD exchange temp,ene
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-  15   360.00000    -9.26880
-   -31.60158    22.30394   -21.54931   -13.30926     0.00000     0.00000
-    10.91911     5.20782     2.72838     0.00000   -22.86735    90.76368
-     2.53001    -2.97362     0.00000   -25.43123    19.30030     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  16   370.00000    -8.47838
-   -30.03360    22.49718   -25.67648   -17.20331     0.00000     0.00000
-     2.96407     5.44771     3.36558     0.00000   -24.02249    70.92442
-     2.98779    -0.58449     0.00000   -28.78093    22.83226     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           1  nodes          16
- remd_m(1)           1
- i           2
- i           2  nupa(0,i)           1
- i           2  nupa(0,i)           1
- i           8  nupa(0,i)           1
- i           8  nupa(0,i)           1
- i           8  nupa(0,i)           1
- i           8  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           9  nupa(0,i)           1
- i           9  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          11  nupa(0,i)           1
- i          11  nupa(0,i)           1
+ REMD gather times=   322.960937500000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.57143    7
-ACC   2   260.00000     0.57143    7
-ACC   3   270.00000     0.71429    7
-ACC   4   280.00000     0.57143    7
-ACC   5   290.00000     0.71429    7
+ACC   1   250.00000     0.28571    7
+ACC   2   260.00000     0.42857    7
+ACC   3   270.00000     0.85714    7
+ACC   4   280.00000     0.71429    7
+ACC   5   290.00000     0.42857    7
 ACC   6   300.00000     0.57143    7
-ACC   7   310.00000     0.85714    7
-ACC   8   320.00000     0.28571    7
-ACC   9   330.00000     0.57143    7
-ACC  10   340.00000     0.71429    7
-ACC  11   350.00000     1.00000    7
+ACC   7   310.00000     0.71429    7
+ACC   8   320.00000     0.42857    7
+ACC   9   330.00000     0.85714    7
+ACC  10   340.00000     0.57143    7
+ACC  11   350.00000     0.85714    7
 ACC  12   360.00000     1.00000    7
-ACC  13   370.00000     0.57143    7
+ACC  13   370.00000     0.85714    7
 ACC  14   380.00000     0.85714    7
-ACC  15   390.00000     0.71429    7
+ACC  15   390.00000     0.85714    7
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  1.171875000000000E-002
+ REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   7.67693373168728     
+   24.1237273929163       split increased to            2  itime      701245 
+  itsplit           1
+ acceleration/energy drift too large   3.70141701639493     
+   13.5071692432714       split increased to            2  itime      701596 
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+ acceleration/energy drift too large   5.42025114790543     
+   14.1633853438968       split increased to            2  itime      701665 
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+ acceleration/energy drift too large   5.70090836673574     
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+   15.9856451770510       split increased to            4  itime      711400 
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+  itsplit           1
+ acceleration/energy drift too large   4.08100790471550     
+   11.8144746437774       split increased to            2  itime      778255 
+  itsplit           1
+ acceleration/energy drift too large   4.19595246813170     
+   14.1947541642338       split increased to            2  itime      778581 
+  itsplit           1
+ acceleration/energy drift too large   4.21454612473273     
+   10.6227921890626       split increased to            2  itime      780022 
+  itsplit           1
+ acceleration/energy drift too large   12.7610820438975     
+   70.8239994405717       split increased to            2  itime      780961 
+  itsplit           1
+ acceleration/energy drift too large   3.89419021152976     
+   12.4767958504078       split increased to            2  itime      781975 
+  itsplit           1
+ acceleration/energy drift too large   7.23380226455558     
+   11.9274630218122       split increased to            2  itime      782439 
+  itsplit           1
+ acceleration/energy drift too large   3.42629004025162     
+   18.9632603351908       split increased to            2  itime      782539 
+  itsplit           1
+ acceleration/energy drift too large   3.17049733668923     
+   11.3216458297090       split increased to            2  itime      783051 
+  itsplit           1
+ acceleration/energy drift too large   2.44267397421486     
+   10.7037853306520       split increased to            2  itime      783127 
+  itsplit           1
+ acceleration/energy drift too large   3.12204008590109     
+   12.9413112354340       split increased to            2  itime      783210 
+  itsplit           1
+ acceleration/energy drift too large   2.48250608421142     
+   11.0174862327443       split increased to            2  itime      783445 
+  itsplit           1
+ acceleration/energy drift too large   5.88708087682455     
+   28.0768861122120       split increased to            2  itime      783591 
+  itsplit           1
+ acceleration/energy drift too large   7.24986224764226     
+   10.3515213314858       split increased to            2  itime      783767 
+  itsplit           1
+ acceleration/energy drift too large   6.54600055625214     
+   11.4819804970839       split increased to            2  itime      784030 
+  itsplit           1
+ acceleration/energy drift too large   5.04240038675136     
+   24.1460919751378       split increased to            2  itime      784694 
+  itsplit           1
+ acceleration/energy drift too large   3.01373026067213     
+   10.7767738577907       split increased to            2  itime      785741 
+  itsplit           1
+ acceleration/energy drift too large   4.28482909191225     
+   12.7389665780554       split increased to            2  itime      785814 
+  itsplit           1
+ acceleration/energy drift too large   4.94908585342703     
+   25.1125456468146       split increased to            2  itime      786080 
+  itsplit           1
+ acceleration/energy drift too large   8.44809765600119     
+   22.6096056439088       split increased to            2  itime      786462 
+  itsplit           1
+ acceleration/energy drift too large   4.79356000738812     
+   13.2182478580400       split increased to            2  itime      787642 
+  itsplit           1
+ acceleration/energy drift too large   3.99990082838877     
+   25.1032520125746       split increased to            2  itime      787681 
+  itsplit           1
+ acceleration/energy drift too large   7.83460905571834     
+   31.0913027418259       split increased to            2  itime      787819 
+  itsplit           1
+ acceleration/energy drift too large   3.60735783275961     
+   13.0515291742615       split increased to            2  itime      787962 
+  itsplit           1
+ acceleration/energy drift too large   2.18082555082890     
+   14.8595968853764       split increased to            2  itime      789618 
+  itsplit           1
+ acceleration/energy drift too large   6.30940218088089     
+   15.6898930123500       split increased to            2  itime      789956 
+  itsplit           1
+ acceleration/energy drift too large   2.64014415692489     
+   12.9123858455282       split increased to            2  itime      790387 
+  itsplit           1
+ acceleration/energy drift too large   5.18245678023443     
+   11.3387144277993       split increased to            2  itime      792660 
+  itsplit           1
+ acceleration/energy drift too large   3.26574007618713     
+   10.5120624486394       split increased to            2  itime      792802 
+  itsplit           1
+ acceleration/energy drift too large   5.50674861139060     
+   15.6410141351750       split increased to            2  itime      793441 
+  itsplit           1
+ acceleration/energy drift too large   6.22570040997193     
+   20.8461783454793       split increased to            2  itime      793518 
+  itsplit           1
+ acceleration/energy drift too large   5.23734612315566     
+   26.5574521169231       split increased to            2  itime      793598 
+  itsplit           1
+ acceleration/energy drift too large   6.32120889537809     
+   24.0447091089204       split increased to            2  itime      796225 
+  itsplit           1
+ acceleration/energy drift too large   4.48294604777980     
+   10.1340889216009       split increased to            2  itime      796672 
+  itsplit           1
+ acceleration/energy drift too large   5.16718566284802     
+   12.5060376200070       split increased to            2  itime      798148 
+  itsplit           1
+ acceleration/energy drift too large   5.07145933637771     
+   10.8826529480215       split increased to            2  itime      799094 
+  itsplit           1
+ acceleration/energy drift too large   3.90656914531441     
+   11.1030841391892       split increased to            2  itime      799119 
+  itsplit           1
  REMD synchro at      800000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   296.742187500000       0.000000000000000E+000
+ REMD gather times=   370.496093750000       0.000000000000000E+000
  REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
-   1   310.00000   -52.49833
-   -48.37745    37.82871   -72.00472   -51.61994     0.00000     0.00000
-     0.23493    15.85599    -4.57230     0.00000   -31.74760    78.50573
-     7.57535     0.46560     0.00000   -32.05238    12.55596     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   260.00000   -59.29707
-   -43.21135    54.38956  -116.10702   -86.88580     0.00000     0.00000
-    -4.96415    19.71426    -0.74174     0.00000   -31.38887    77.87775
-     9.67441    -0.43111     0.00000     8.16927    14.65551     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   270.00000   -53.76897
-   -42.97449    49.55885   -97.72094   -73.16096     0.00000     0.00000
-     0.06991    18.89783    -2.49466     0.00000   -31.82942    66.23884
-     9.09660    -1.86758     0.00000    -3.57471    13.50118     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   250.00000   -72.68176
-   -50.03926    57.81799  -117.05389   -85.04568     0.00000     0.00000
-    -6.73722    19.12879    -2.69983     0.00000   -31.01386    75.92890
-     9.65220    -0.40328     0.00000    -5.53452    11.85998     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   290.00000   -60.85591
-   -46.62723    51.31358   -97.87794   -73.48270     0.00000     0.00000
-    -3.04563    19.43540    -1.13641     0.00000   -33.97005    59.06330
-     9.40994    -2.03072     0.00000   -15.73724     7.86453     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   280.00000   -44.01388
-   -41.92842    45.13767   -87.52059   -64.64334     0.00000     0.00000
-    -4.31140    16.91594    -6.18912     0.00000   -33.94645   114.35557
-     8.82578     0.45439     0.00000   -33.19245    16.75537     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   320.00000   -24.59315
-   -38.62707    31.39710   -43.04382   -29.60695     0.00000     0.00000
-     0.24817    10.27214    -2.42143     0.00000   -28.96968    81.22491
-     5.36197    -0.76295     0.00000   -36.47946    18.49806     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   8   300.00000   -48.43881
-   -36.20358    35.98165   -74.98090   -53.94419     0.00000     0.00000
-    -2.10876    14.95228    -2.81699     0.00000   -33.57096    74.96337
-     6.97557     0.57105     0.00000   -17.52302    10.24766     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   9   330.00000   -33.67005
-   -43.34011    22.66659   -26.11090   -17.15574     0.00000     0.00000
-     2.29138     6.59472     2.95619     0.00000   -25.47026    78.10955
-     2.30244    -0.86801     0.00000   -31.98059    17.51968     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  10   380.00000   -24.60232
-   -38.21119    26.83512   -43.10627   -29.94735     0.00000     0.00000
-    -1.67108    11.64814    -0.21184     0.00000   -30.06568    95.53555
-     6.49576     0.93767     0.00000   -32.40274    14.62056     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  11   390.00000    -7.44293
-   -28.52064    17.78334   -15.25472    -9.63419     0.00000     0.00000
-     9.58768     4.48583     5.85964     0.00000   -20.61842    64.38608
-     0.64848    -1.82127     0.00000   -25.27458    22.64652     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  12   370.00000   -21.33792
-   -34.94474    20.06020   -24.11408   -15.93092     0.00000     0.00000
-     4.77495     6.29349     1.66720     0.00000   -31.31490   114.58734
-     4.94942    -0.34134     0.00000   -26.31570    15.96124     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  13   400.00000   -12.02457
-   -31.23190    19.92443   -23.81837   -13.88831     0.00000     0.00000
-     0.25574     3.96865     1.40524     0.00000   -27.80764    67.96686
-     4.63725     1.56873     0.00000   -27.42387    25.15738     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  14   340.00000   -28.63071
-   -40.36935    27.85752   -47.37034   -32.54372     0.00000     0.00000
-     1.99359    11.53253    -0.35031     0.00000   -25.86688    88.17472
-     6.30155     0.11180     0.00000   -24.34726    13.08387     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  15   350.00000   -14.09970
-   -30.14658    14.35396   -10.07312    -6.43248     0.00000     0.00000
-     9.70050     4.03200     4.39393     0.00000   -22.38995    87.48430
-    -0.61700    -3.19680     0.00000   -19.30418    22.08478     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  16   360.00000   -34.13228
-   -42.18790    29.06076   -45.14172   -28.25711     0.00000     0.00000
-     0.72960    10.94698    -0.64706     0.00000   -31.89520    64.56453
-     4.76777    -0.49580     0.00000   -30.98457    20.58834     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           1  nodes          16
- remd_m(1)           1
- i           4
- i           4  nupa(0,i)           1
- i           2  nupa(0,i)           1
- i           2  nupa(0,i)           1
- i           6  nupa(0,i)           1
- i           6  nupa(0,i)           1
- i           6  nupa(0,i)           1
- i           6  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i           7  nupa(0,i)           1
- i          11  nupa(0,i)           1
+ REMD writing traj time=  7.812500000000000E-003
  NREP          16
-ACC   1   250.00000     0.50000    8
-ACC   2   260.00000     0.62500    8
-ACC   3   270.00000     0.62500    8
-ACC   4   280.00000     0.62500    8
-ACC   5   290.00000     0.75000    8
+ACC   1   250.00000     0.25000    8
+ACC   2   260.00000     0.37500    8
+ACC   3   270.00000     0.75000    8
+ACC   4   280.00000     0.75000    8
+ACC   5   290.00000     0.50000    8
 ACC   6   300.00000     0.62500    8
-ACC   7   310.00000     0.75000    8
-ACC   8   320.00000     0.37500    8
-ACC   9   330.00000     0.62500    8
-ACC  10   340.00000     0.75000    8
-ACC  11   350.00000     1.00000    8
+ACC   7   310.00000     0.62500    8
+ACC   8   320.00000     0.50000    8
+ACC   9   330.00000     0.75000    8
+ACC  10   340.00000     0.62500    8
+ACC  11   350.00000     0.87500    8
 ACC  12   360.00000     1.00000    8
-ACC  13   370.00000     0.62500    8
-ACC  14   380.00000     0.75000    8
-ACC  15   390.00000     0.75000    8
+ACC  13   370.00000     0.87500    8
+ACC  14   380.00000     0.87500    8
+ACC  15   390.00000     0.87500    8
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   7.00874419332574     
+   11.7928727927577       split increased to            2  itime      800844 
+  itsplit           1
+ acceleration/energy drift too large   5.48212987209708     
+   12.8874461482489       split increased to            2  itime      800847 
+  itsplit           1
+ acceleration/energy drift too large   4.16947079575155     
+   10.1179677518621       split increased to            2  itime      801336 
+  itsplit           1
+ acceleration/energy drift too large   6.95074410464138     
+   29.6811686721023       split increased to            2  itime      801947 
+  itsplit           1
+ acceleration/energy drift too large   2.26059134446932     
+   10.5428305146469       split increased to            2  itime      801955 
+  itsplit           1
+ acceleration/energy drift too large   3.94848645013882     
+   10.3174100821401       split increased to            2  itime      802410 
+  itsplit           1
+ acceleration/energy drift too large   4.94887279968273     
+   24.0430930357369       split increased to            2  itime      803315 
+  itsplit           1
+ acceleration/energy drift too large   3.43007277388161     
+   10.4928724105443       split increased to            2  itime      803416 
+  itsplit           1
+ acceleration/energy drift too large   2.62307662980029     
+   11.3763125463274       split increased to            2  itime      803808 
+  itsplit           1
+ acceleration/energy drift too large   5.22245524396191     
+   12.2453522620729       split increased to            2  itime      804093 
+  itsplit           1
+ acceleration/energy drift too large   5.07678130998138     
+   14.6826879593809       split increased to            2  itime      804379 
+  itsplit           1
+ acceleration/energy drift too large   3.86170938085748     
+   12.0951980097739       split increased to            2  itime      804631 
+  itsplit           1
+ acceleration/energy drift too large   2.40560004492529     
+   11.1392564347698       split increased to            2  itime      805809 
+  itsplit           1
+ acceleration/energy drift too large   6.79702350550384     
+   15.7639510723697       split increased to            2  itime      806039 
+  itsplit           1
+ acceleration/energy drift too large   5.80387210696143     
+   11.1455034134655       split increased to            2  itime      806335 
+  itsplit           1
+ acceleration/energy drift too large   2.93268027785670     
+   10.0946670791062       split increased to            2  itime      806630 
+  itsplit           1
+ acceleration/energy drift too large   4.49279514477409     
+   11.8662741368005       split increased to            2  itime      806925 
+  itsplit           1
+ acceleration/energy drift too large   5.89493658208943     
+   20.5159720031418       split increased to            2  itime      806954 
+  itsplit           1
+ acceleration/energy drift too large   2.70216728389105     
+   10.6436735562412       split increased to            2  itime      807066 
+  itsplit           1
+ acceleration/energy drift too large   6.39691890840453     
+   17.0104981546665       split increased to            2  itime      808059 
+  itsplit           1
+ acceleration/energy drift too large   7.71926878327052     
+   22.0406409329511       split increased to            2  itime      808287 
+  itsplit           1
+ acceleration/energy drift too large   4.15538326474735     
+   10.3022360068986       split increased to            2  itime      808414 
+  itsplit           1
+ acceleration/energy drift too large   2.84906508870924     
+   10.5384962048677       split increased to            2  itime      808526 
+  itsplit           1
+ acceleration/energy drift too large   8.19033207613670     
+   32.3593231191301       split increased to            2  itime      809154 
+  itsplit           1
+ acceleration/energy drift too large   4.96620225334037     
+   10.9317530489191       split increased to            2  itime      809725 
+  itsplit           1
+ acceleration/energy drift too large   2.11571479969588     
+   16.5633312380871       split increased to            2  itime      809726 
+  itsplit           1
+ acceleration/energy drift too large   5.81049751454704     
+   10.0525265062096       split increased to            2  itime      809752 
+  itsplit           1
+ acceleration/energy drift too large   5.89420621054208     
+   14.6581712435127       split increased to            2  itime      812167 
+  itsplit           1
+ acceleration/energy drift too large   4.75385495074558     
+   11.8977459709943       split increased to            2  itime      812389 
+  itsplit           1
+ acceleration/energy drift too large   2.98776346131107     
+   11.5943357089453       split increased to            2  itime      812507 
+  itsplit           1
+ acceleration/energy drift too large   4.95147579220744     
+   16.1983279891554       split increased to            2  itime      812511 
+  itsplit           1
+ acceleration/energy drift too large   3.88365142846843     
+   11.0390231340874       split increased to            2  itime      812515 
+  itsplit           1
+ acceleration/energy drift too large   4.09988714279213     
+   13.1055538103892       split increased to            2  itime      812517 
+  itsplit           1
+ acceleration/energy drift too large   6.34797582926906     
+   11.1015238302197       split increased to            2  itime      812518 
+  itsplit           1
+ acceleration/energy drift too large   4.83892869958561     
+   10.9427817634710       split increased to            2  itime      812519 
+  itsplit           1
+ acceleration/energy drift too large   6.80972917741192     
+   17.3814587367973       split increased to            2  itime      812520 
+  itsplit           1
+ acceleration/energy drift too large   6.94801251830922     
+   10.9277505844337       split increased to            2  itime      812533 
+  itsplit           1
+ acceleration/energy drift too large   4.27703035807486     
+   11.6223878054437       split increased to            2  itime      812534 
+  itsplit           1
+ acceleration/energy drift too large   2.85030171802465     
+   10.4814606965340       split increased to            2  itime      812536 
+  itsplit           1
+ acceleration/energy drift too large   3.27566582386351     
+   11.9845752117410       split increased to            2  itime      812538 
+  itsplit           1
+ acceleration/energy drift too large   8.36993482940105     
+   16.2033036014972       split increased to            2  itime      812539 
+  itsplit           1
+ acceleration/energy drift too large   3.76237492574818     
+   13.3170942538107       split increased to            2  itime      812540 
+  itsplit           1
+ acceleration/energy drift too large   9.09532383885328     
+   10.7670101878133       split increased to            2  itime      812541 
+  itsplit           1
+ acceleration/energy drift too large   7.46327013623261     
+   12.2839595062642       split increased to            2  itime      812543 
+  itsplit           1
+ acceleration/energy drift too large   6.99705103460901     
+   12.1970115863992       split increased to            2  itime      812546 
+  itsplit           1
+ acceleration/energy drift too large   5.81756467300030     
+   16.1939118975046       split increased to            2  itime      812547 
+  itsplit           1
+ acceleration/energy drift too large   4.88575722328227     
+   11.8625218716678       split increased to            2  itime      812549 
+  itsplit           1
+ acceleration/energy drift too large   4.37082259349211     
+   11.8772985651605       split increased to            2  itime      812566 
+  itsplit           1
+ acceleration/energy drift too large   4.25891772704183     
+   11.0596738254167       split increased to            2  itime      812569 
+  itsplit           1
+ acceleration/energy drift too large   3.20389294651978     
+   11.3227943135040       split increased to            2  itime      812572 
+  itsplit           1
+ acceleration/energy drift too large   4.20033920562432     
+   13.9436864452807       split increased to            2  itime      812587 
+  itsplit           1
+ acceleration/energy drift too large   3.85488419016136     
+   10.4463818007158       split increased to            2  itime      812588 
+  itsplit           1
+ acceleration/energy drift too large   6.29599060582108     
+   12.8973197807973       split increased to            2  itime      812589 
+  itsplit           1
+ acceleration/energy drift too large   2.88312501234058     
+   21.3274466034748       split increased to            2  itime      812590 
+  itsplit           1
+ acceleration/energy drift too large   5.60764749214454     
+   12.5038810715876       split increased to            2  itime      812595 
+  itsplit           1
+ acceleration/energy drift too large   2.49515048632687     
+   14.8257375339564       split increased to            2  itime      812596 
+  itsplit           1
+ acceleration/energy drift too large   4.48550660045508     
+   17.6842290976632       split increased to            2  itime      812601 
+  itsplit           1
+ acceleration/energy drift too large   7.06702688097685     
+   17.2908141721943       split increased to            2  itime      812603 
+  itsplit           1
+ acceleration/energy drift too large   4.32775991615218     
+   12.7211088670147       split increased to            2  itime      812604 
+  itsplit           1
+ acceleration/energy drift too large  0.935564238931949     
+   14.6459186881543       split increased to            2  itime      812605 
+  itsplit           1
+ acceleration/energy drift too large   5.89199758682255     
+   21.4233095195048       split increased to            2  itime      812606 
+  itsplit           1
+ acceleration/energy drift too large   2.04044513989702     
+   13.1001761100977       split increased to            2  itime      812607 
+  itsplit           1
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+ acceleration/energy drift too large   3.87523550098690     
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+ acceleration/energy drift too large   10.0310835891838     
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+ acceleration/energy drift too large   3.36738911102145     
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+ acceleration/energy drift too large   3.27096232918144     
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+ acceleration/energy drift too large   2.50065693167542     
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+ acceleration/energy drift too large   4.15099666860368     
+   22.4062377548476       split increased to            2  itime      879352 
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+ acceleration/energy drift too large   4.91538129707681     
+   26.9531880059950       split increased to            2  itime      879353 
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+ acceleration/energy drift too large   4.09267525824722     
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+ acceleration/energy drift too large   4.07946715948461     
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+ acceleration/energy drift too large   4.77715292520984     
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+ acceleration/energy drift too large   3.03957587296397     
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+ acceleration/energy drift too large   3.51411230973672     
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+ acceleration/energy drift too large   6.43830247242766     
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+ acceleration/energy drift too large   6.23424169883068     
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+ acceleration/energy drift too large   3.00129054725997     
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+ acceleration/energy drift too large   2.64632954261225     
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+ acceleration/energy drift too large   2.03798771559294     
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+ acceleration/energy drift too large   2.93770528230155     
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+ acceleration/energy drift too large   3.68870639297268     
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+ acceleration/energy drift too large   3.71427960472610     
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+ acceleration/energy drift too large   5.13779149477282     
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+ acceleration/energy drift too large   2.39493555602771     
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+ acceleration/energy drift too large   6.33588345588591     
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+ acceleration/energy drift too large   4.56358235999393     
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+ acceleration/energy drift too large   3.53512452901201     
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+ acceleration/energy drift too large   3.59163475371097     
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+ acceleration/energy drift too large   6.21656116299036     
+   20.5906411499767       split increased to            2  itime      885919 
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+ acceleration/energy drift too large   5.31966423852916     
+   15.4834819562055       split increased to            2  itime      886902 
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+ acceleration/energy drift too large   6.92817499917769     
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+ acceleration/energy drift too large   9.59784482132046     
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+ acceleration/energy drift too large   5.92848984927603     
+   38.3959018713859       split increased to            2  itime      887707 
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+ acceleration/energy drift too large   2.06845978277478     
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+ acceleration/energy drift too large   2.83414016243626     
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+ acceleration/energy drift too large   2.55870891892554     
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+ acceleration/energy drift too large   3.00060767355376     
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+ acceleration/energy drift too large   4.67906141506718     
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+ acceleration/energy drift too large   3.09771740328792     
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+ acceleration/energy drift too large   2.89969614810145     
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+ acceleration/energy drift too large   7.38575339068290     
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+ acceleration/energy drift too large   3.71924361918418     
+   10.5875732624885       split increased to            2  itime      894036 
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+ acceleration/energy drift too large   2.50031708798051     
+   10.0317738019304       split increased to            2  itime      894775 
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+ acceleration/energy drift too large   2.41860265002419     
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+ acceleration/energy drift too large   6.12301061561256     
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+ acceleration/energy drift too large   6.13173639117314     
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+ acceleration/energy drift too large   6.66283243133982     
+   15.9062543336785       split increased to            2  itime      896788 
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+ acceleration/energy drift too large   7.65531306146650     
+   38.5476251636030       split increased to            2  itime      897804 
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+ acceleration/energy drift too large   5.04548513627763     
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+ acceleration/energy drift too large   3.60563855331779     
+   14.0372787991910       split increased to            2  itime      898141 
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+ acceleration/energy drift too large   2.99385443794211     
+   10.5579887350577       split increased to            2  itime      898191 
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+ acceleration/energy drift too large   3.12642648554429     
+   10.6196226037166       split increased to            2  itime      898200 
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+ acceleration/energy drift too large   2.90557241593064     
+   10.0920384231076       split increased to            2  itime      898243 
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+ acceleration/energy drift too large   2.15996185085474     
+   10.1274803261365       split increased to            2  itime      898248 
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+ acceleration/energy drift too large   2.62612152906742     
+   10.9386562989034       split increased to            2  itime      898250 
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+ acceleration/energy drift too large   2.29864435350013     
+   10.0601373091055       split increased to            2  itime      898259 
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+ acceleration/energy drift too large   3.52782753785405     
+   10.9966882982924       split increased to            2  itime      898277 
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+ acceleration/energy drift too large   4.79656554452478     
+   12.4855347661078       split increased to            2  itime      898280 
+  itsplit           1
+ acceleration/energy drift too large   2.31520404726971     
+   10.4127904236326       split increased to            2  itime      898282 
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+ acceleration/energy drift too large   3.74575973075621     
+   13.3998072178123       split increased to            2  itime      898291 
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+ acceleration/energy drift too large   3.61316904809170     
+   15.0649600715318       split increased to            2  itime      898836 
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+ acceleration/energy drift too large   4.50436928160336     
+   10.7719585156443       split increased to            2  itime      899315 
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+ acceleration/energy drift too large   17.8859032616243     
+   106.266942735515       split increased to            2  itime      899371 
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+ acceleration/energy drift too large   4.93612276327650     
+   12.6342149895357       split increased to            2  itime      899673 
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+ acceleration/energy drift too large   10.7881199039967     
+   26.0999504533117       split increased to            2  itime      899748 
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+ acceleration/energy drift too large   6.60397918733171     
+   10.4484620365785       split increased to            2  itime      899967 
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  REMD synchro at      900000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   333.421875000000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
- REMD exchange temp,ene
-   1   300.00000   -39.37142
-   -37.70743    35.97951   -64.53458   -46.52604     0.00000     0.00000
-     1.29286    13.74948    -1.17868     0.00000   -33.06338    60.03777
-     9.35550     0.02174     0.00000   -28.83890    10.36921     0.00000
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-   2   270.00000   -59.99407
-   -46.51840    56.13368  -111.72828   -84.80752     0.00000     0.00000
-    -2.30849    19.62663    -3.53739     0.00000   -32.18469    66.00900
-    10.77934     0.61238     0.00000    -8.83552    11.21615     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   260.00000   -60.22198
-   -47.14636    55.36500  -115.30851   -87.44252     0.00000     0.00000
-    -1.39650    19.16449    -3.32154     0.00000   -26.87632    68.22081
-     8.91515     0.35871     0.00000    27.49956    14.17266     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   250.00000   -66.60792
-   -47.14550    70.51424  -145.06757  -107.50309     0.00000     0.00000
-    -6.86011    19.66899    -2.65886     0.00000   -24.59398    76.78230
-     9.78391    -0.43590     0.00000    40.10315    14.97280     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   280.00000   -44.62438
-   -43.39274    43.14454   -82.07037   -59.44897     0.00000     0.00000
-    -0.89613    17.24032    -4.82265     0.00000   -31.10450    61.26654
-     8.72172    -0.21603     0.00000   -26.10431    18.42467     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   310.00000   -36.29501
-   -34.08181    33.39759   -61.45942   -44.06265     0.00000     0.00000
-    -2.74212    13.86343    -4.63733     0.00000   -33.31958    68.85867
-     6.70004     0.97698     0.00000   -34.12209    14.31384     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   380.00000   -30.04251
-   -35.83508    28.82301   -41.68265   -26.15827     0.00000     0.00000
-    -1.84102     8.63517    -5.30698     0.00000   -30.96290    74.29149
-     5.02413     1.89398     0.00000   -36.59666    12.78514     0.00000
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-   8   290.00000   -37.65409
-   -40.97977    38.87837   -75.43905   -55.37660     0.00000     0.00000
-    -6.91800    15.80309    -5.00627     0.00000   -31.40494    69.35885
-    10.03633     0.67851     0.00000   -36.91622    20.41196     0.00000
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-   9   320.00000   -35.56073
-   -42.58778    39.83165   -75.75042   -51.54869     0.00000     0.00000
-    -0.60470    15.52617     1.21130     0.00000   -29.23253    88.89973
-     6.77978    -1.00132     0.00000   -28.40509    15.72459     0.00000
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-  10   370.00000   -24.10867
-   -39.33594    26.92437   -40.16423   -26.08765     0.00000     0.00000
-    -0.08859     8.98205     0.71417     0.00000   -27.82999    73.88459
-     7.51033    -0.63041     0.00000   -29.13454    17.23255     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  11   400.00000     9.65384
-   -16.60610     7.82531    -2.72664    -1.53386     0.00000     0.00000
-     9.66527     2.88500     3.94553     0.00000   -19.16994    84.61275
-     1.87987    -0.77138     0.00000   -10.51505    23.31166     0.00000
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-  12   360.00000   -24.65039
-   -34.26701    21.67900   -26.41217   -16.97926     0.00000     0.00000
-     4.93458     6.51143     0.41039     0.00000   -28.98993    81.23595
-     3.44857     0.84510     0.00000   -30.33421    15.58189     0.00000
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-  13   390.00000   -24.27906
-   -38.12628    18.94223   -17.51700   -12.19844     0.00000     0.00000
-    11.00079     5.72643     4.51815     0.00000   -22.62970    94.92972
-     1.74748    -2.90717     0.00000   -28.00462    14.74256     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  14   330.00000   -36.31559
-   -42.01580    32.38496   -49.41460   -34.72714     0.00000     0.00000
-     2.13074    10.93802    -3.31719     0.00000   -33.07663    84.10453
-     5.59560     0.19097     0.00000   -33.13366    16.51154     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  15   340.00000   -17.09580
-   -29.46708    14.80565   -11.12296    -7.72990     0.00000     0.00000
-    10.56236     4.14100     3.15088     0.00000   -24.57611    83.85839
-     0.93299    -2.34285     0.00000   -19.39945    18.09069     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
-  16   350.00000    -4.57197
-   -22.76420    12.23913    -7.68931    -4.68817     0.00000     0.00000
-     8.84310     3.56951     4.42786     0.00000   -20.37785    97.14405
-    -1.10495    -1.85407     0.00000   -16.26399    18.65316     0.00000
-     0.00000     0.00000     0.00000     0.00000     0.00000
- Enter exchnge, remd_m           1  nodes          16
- remd_m(1)           1
- i           4
- i           4  nupa(0,i)           1
- i           3  nupa(0,i)           1
- i           3  nupa(0,i)           1
- i           5  nupa(0,i)           1
- i           5  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i           1  nupa(0,i)           1
- i          15  nupa(0,i)           1
- i          16  nupa(0,i)           1
- i          16  nupa(0,i)           1
- i          16  nupa(0,i)           1
- i          16  nupa(0,i)           1
- i          16  nupa(0,i)           1
+ REMD gather times=   418.390625000000       0.000000000000000E+000
+ REMD writing rst time=  7.812500000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.44444    9
-ACC   2   260.00000     0.66667    9
-ACC   3   270.00000     0.55556    9
+ACC   1   250.00000     0.22222    9
+ACC   2   260.00000     0.44444    9
+ACC   3   270.00000     0.77778    9
 ACC   4   280.00000     0.66667    9
-ACC   5   290.00000     0.66667    9
+ACC   5   290.00000     0.55556    9
 ACC   6   300.00000     0.66667    9
-ACC   7   310.00000     0.77778    9
-ACC   8   320.00000     0.44444    9
-ACC   9   330.00000     0.55556    9
+ACC   7   310.00000     0.55556    9
+ACC   8   320.00000     0.55556    9
+ACC   9   330.00000     0.77778    9
 ACC  10   340.00000     0.66667    9
-ACC  11   350.00000     1.00000    9
+ACC  11   350.00000     0.88889    9
 ACC  12   360.00000     1.00000    9
-ACC  13   370.00000     0.66667    9
-ACC  14   380.00000     0.77778    9
-ACC  15   390.00000     0.77778    9
+ACC  13   370.00000     0.77778    9
+ACC  14   380.00000     0.88889    9
+ACC  15   390.00000     0.88889    9
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   7.19363526093023     
+   26.4376444688116       split increased to            2  itime      900044 
+  itsplit           1
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+   21.9658167318826       split increased to            2  itime      900346 
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+ acceleration/energy drift too large   6.24403093852662     
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+   36.1844328451115       split increased to            2  itime      980409 
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+   30.6486759594224       split increased to            2  itime      981759 
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+ acceleration/energy drift too large   5.36080237136695     
+   12.2103086903814       split increased to            2  itime      982775 
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+ acceleration/energy drift too large   4.57893384842436     
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+ acceleration/energy drift too large   2.06884256824741     
+   13.0885150320346       split increased to            2  itime      983184 
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+ acceleration/energy drift too large   7.62805236934620     
+   24.6153125398548       split increased to            2  itime      983465 
+  itsplit           1
+ acceleration/energy drift too large   5.55554314126233     
+   35.8105646676478       split increased to            2  itime      983478 
+  itsplit           1
+ acceleration/energy drift too large   3.71941446628352     
+   10.6607602772641       split increased to            2  itime      983479 
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+ acceleration/energy drift too large   4.68334213163411     
+   23.6807500448967       split increased to            2  itime      983492 
+  itsplit           1
+ acceleration/energy drift too large   4.49771787303815     
+   11.8986687315346       split increased to            2  itime      983870 
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+ acceleration/energy drift too large   3.53416897872721     
+   12.0662969455353       split increased to            2  itime      984005 
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+ acceleration/energy drift too large   7.50040157925854     
+   33.9637754075882       split increased to            2  itime      984064 
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+ acceleration/energy drift too large   6.76739633076494     
+   11.5881989924572       split increased to            2  itime      984474 
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+ acceleration/energy drift too large   5.83730629901757     
+   34.8697292829203       split increased to            2  itime      984601 
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+ acceleration/energy drift too large   2.85894760292279     
+   12.1272024733112       split increased to            2  itime      985458 
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+ acceleration/energy drift too large   4.16053886804174     
+   10.8952614714032       split increased to            2  itime      986206 
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+ acceleration/energy drift too large   2.62650039395365     
+   10.4790943792781       split increased to            2  itime      986258 
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+ acceleration/energy drift too large   3.41783660885226     
+   13.9379720024929       split increased to            2  itime      986573 
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+ acceleration/energy drift too large   5.00402058314798     
+   14.5425624069117       split increased to            2  itime      986896 
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+ acceleration/energy drift too large   2.54682746581876     
+   11.4881415595367       split increased to            2  itime      986897 
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+ acceleration/energy drift too large   2.56483516846129     
+   11.9751650710013       split increased to            2  itime      987003 
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+ acceleration/energy drift too large   3.24258291378299     
+   11.0498770434785       split increased to            2  itime      987007 
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+ acceleration/energy drift too large   4.44801738824107     
+   10.9817200839115       split increased to            2  itime      987933 
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+ acceleration/energy drift too large   6.47953793889234     
+   16.8762767054426       split increased to            2  itime      987939 
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+ acceleration/energy drift too large   2.74131846282361     
+   11.9739061953253       split increased to            2  itime      987940 
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+ acceleration/energy drift too large   5.21884756257283     
+   16.0146323195793       split increased to            2  itime      988156 
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+ acceleration/energy drift too large   6.98303064757951     
+   52.5269086138375       split increased to            2  itime      988653 
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+ acceleration/energy drift too large   7.44371664691160     
+   17.1999209717626       split increased to            2  itime      988717 
+  itsplit           1
+ acceleration/energy drift too large   3.41518530570218     
+   11.7230712241242       split increased to            2  itime      989243 
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+ acceleration/energy drift too large   4.86997826218766     
+   23.7042923467332       split increased to            2  itime      989645 
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+ acceleration/energy drift too large   6.56861396867082     
+   16.3197831423529       split increased to            2  itime      989687 
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+ acceleration/energy drift too large   3.47814528665630     
+   10.1964822142602       split increased to            2  itime      989802 
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+ acceleration/energy drift too large   5.83205218997564     
+   31.6207589582694       split increased to            2  itime      990836 
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+ acceleration/energy drift too large   10.1525046370308     
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+ acceleration/energy drift too large   4.70385478390376     
+   21.4641406840745       split increased to            2  itime      991080 
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+ acceleration/energy drift too large   7.05811533646673     
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+ acceleration/energy drift too large   5.88995059991438     
+   10.4593199435289       split increased to            2  itime      991730 
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+ acceleration/energy drift too large   4.79904589349359     
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+ acceleration/energy drift too large   6.03164547020882     
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+ acceleration/energy drift too large   4.27944235575244     
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+ acceleration/energy drift too large   3.79611835588981     
+   10.8014395272193       split increased to            2  itime      993601 
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+ acceleration/energy drift too large   9.81593007379842     
+   43.8211427883116       split increased to            2  itime      993687 
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+ acceleration/energy drift too large   5.12745320161781     
+   12.7998418418219       split increased to            2  itime      993764 
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+ acceleration/energy drift too large   4.98228140049519     
+   28.3171900114535       split increased to            2  itime      994336 
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+ acceleration/energy drift too large   8.93613981531363     
+   42.0336053180690       split increased to            2  itime      994388 
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+ acceleration/energy drift too large   3.79687233558780     
+   10.2014508288714       split increased to            2  itime      994398 
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+ acceleration/energy drift too large   4.63745639936406     
+   12.3600092318219       split increased to            2  itime      994792 
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+ acceleration/energy drift too large   4.34735930023412     
+   11.2522827957382       split increased to            2  itime      995328 
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+ acceleration/energy drift too large   5.55778162158401     
+   36.1723208783007       split increased to            2  itime      995393 
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+ acceleration/energy drift too large   2.34929096586190     
+   14.0106400485427       split increased to            2  itime      996349 
+  itsplit           1
+ acceleration/energy drift too large   3.40259633126558     
+   14.5501924551923       split increased to            2  itime      996414 
+  itsplit           1
+ acceleration/energy drift too large   4.72936963932838     
+   26.0105105100737       split increased to            2  itime      996694 
+  itsplit           1
+ acceleration/energy drift too large   2.21955470692259     
+   12.3022724913458       split increased to            2  itime      997034 
+  itsplit           1
+ acceleration/energy drift too large   3.39880195626370     
+   12.1395913429617       split increased to            2  itime      997485 
+  itsplit           1
+ acceleration/energy drift too large   3.81575568091670     
+   17.9836623913959       split increased to            2  itime      997594 
+  itsplit           1
+ acceleration/energy drift too large   4.22657043037710     
+   14.1146354103959       split increased to            2  itime      997810 
+  itsplit           1
+ acceleration/energy drift too large   3.82768911597785     
+   10.5813534813134       split increased to            2  itime      997839 
+  itsplit           1
+ acceleration/energy drift too large   3.70661799958021     
+   11.6939790119966       split increased to            2  itime      997848 
+  itsplit           1
+ acceleration/energy drift too large   6.19065081685500     
+   20.2550466542341       split increased to            2  itime      998558 
+  itsplit           1
+ acceleration/energy drift too large   5.61815481700118     
+   23.2173197973107       split increased to            2  itime      998728 
+  itsplit           1
  REMD synchro at     1000000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
@@ -1597,12 +5957,12 @@ ACC  15   390.00000     0.77778    9
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.11520E+02
-                    Stochastic MD setup:    3.90625E-03
+           Energy & gradient evaluation:    3.80934E+02
+                    Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.70621E+02
+                               MD steps:    4.65398E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   370.644531250000       sec
+ Total wall clock time   465.425781250000       sec
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB000.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB000.stat
index c658aed..1905d2d 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB000.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB000.stat
@@ -1,101 +1,101 @@
-         0           0.00      21.719      21.380      43.099  12.87 0.000   NaN   NaN 0.938     197.043     250.000      15.552    0 
-     10000        2000.00      32.527     -20.238      12.289  13.11 0.000   NaN   NaN 0.642     295.098     250.000      17.017    0 
-     20000        4000.00      25.456     -23.297       2.158  10.61 0.000   NaN   NaN 2.516     230.947     250.000      15.354    0 
-     30000        6000.00      30.693     -13.530      17.163   8.11 0.000   NaN   NaN 2.563     278.465     250.000      12.704    0 
-     40000        8000.00      26.410     -32.810      -6.400   6.50 0.286 0.429 0.201 1.622     239.607     250.000       9.783    0 
-     50000       10000.00      29.563     -29.066       0.497   5.06 0.143 0.800 0.391 1.318     268.215     250.000       8.804    0 
-     60000       12000.00      33.018     -22.783      10.235   5.23 0.071 0.889 0.515 2.610     299.558     250.000       8.377    0 
-     70000       14000.00      27.541     -40.514     -12.972   5.41 0.357 0.643 0.451 1.140     249.869     250.000       8.404    0 
-     80000       16000.00      26.655     -38.429     -11.775   4.82 0.071 0.900 0.455 1.957     241.826     250.000       8.058    0 
-     90000       18000.00      29.511     -39.658     -10.147   5.32 0.214 0.727 0.306 2.953     267.738     250.000       7.617    0 
-    100000       20000.00      31.432     -47.721     -16.289   6.26 0.143 0.882 0.412 1.880     285.169     250.000       7.394    0 
-    110000       22000.00      37.402     -24.684      12.717   4.87 0.143 0.500 0.148 1.044     339.326     320.000       9.133    0 
-    120000       24000.00      49.652     -28.065      21.587   7.39 0.071 0.833 0.182 2.576     450.465     320.000      11.087    0 
-    130000       26000.00      46.636     -25.513      21.123   5.27 0.143 0.778 0.328 1.408     423.103     320.000       7.191    0 
-    140000       28000.00      30.911     -39.942      -9.031   4.43 0.357 0.643 0.321 1.723     280.438     320.000       7.164    0 
-    150000       30000.00      33.932     -33.042       0.890   3.31 0.500 0.500 0.302 1.426     307.846     320.000       7.700    0 
-    160000       32000.00      31.059     -37.411      -6.352   4.55 0.214 0.769 0.283 2.437     281.783     320.000       6.921    0 
-    170000       34000.00      39.827     -44.034      -4.207   6.56 0.286 0.692 0.248 2.266     361.332     320.000       6.917    0 
-    180000       36000.00      37.642     -33.910       3.732   5.68 0.214 0.786 0.321 1.808     341.512     320.000       6.405    0 
-    190000       38000.00      39.328     -43.988      -4.660   5.73 0.214 0.786 0.347 2.346     356.806     320.000       6.910    0 
-    200000       40000.00      43.931     -36.090       7.841   6.24 0.214 0.667 0.192 1.269     398.567     320.000       7.529    0 
-    210000       42000.00      38.514     -31.170       7.343   6.50 0.071 0.889 0.293 2.719     349.416     310.000       6.979    0 
-    220000       44000.00      34.108     -29.714       4.394   6.53 0.143 0.714 0.188 2.465     309.444     310.000       7.234    0 
-    230000       46000.00      41.588     -28.890      12.697   6.14 0.071 0.889 0.263 2.547     377.306     310.000       7.340    0 
-    240000       48000.00      30.853     -32.987      -2.133   5.24 0.143 0.714 0.286 1.849     279.917     310.000       7.280    0 
-    250000       50000.00      35.469     -49.047     -13.579   5.22 0.214 0.727 0.364 2.010     321.789     310.000       6.540    0 
-    260000       52000.00      36.842     -42.368      -5.526   5.28 0.214 0.727 0.269 3.297     334.245     310.000       6.933    0 
-    270000       54000.00      36.341     -39.015      -2.674   5.07 0.143 0.818 0.413 2.008     329.701     310.000       6.854    0 
-    280000       56000.00      38.929     -31.313       7.616   4.44 0.214 0.571 0.182 3.376     353.187     310.000       7.953    0 
-    290000       58000.00      43.996     -26.315      17.681   4.51 0.214 0.700 0.264 2.694     399.153     310.000       7.357    0 
-    300000       60000.00      36.385     -39.242      -2.857   5.72 0.143 0.800 0.436 1.687     330.103     310.000       7.273    0 
-    310000       62000.00      44.139     -26.406      17.733   5.60 0.143 0.778 0.318 1.351     400.455     320.000       7.254    0 
-    320000       64000.00      28.314     -36.008      -7.694   5.66 0.143 0.800 0.364 1.029     256.882     320.000       6.808    0 
-    330000       66000.00      38.329     -40.743      -2.414   4.69 0.214 0.727 0.368 1.698     347.742     320.000       7.427    0 
-    340000       68000.00      35.367     -25.452       9.914   4.34 0.357 0.500 0.341 2.134     320.863     320.000       7.086    0 
-    350000       70000.00      35.781     -29.669       6.112   5.14 0.286 0.636 0.331 2.183     324.625     320.000       7.697    0 
-    360000       72000.00      42.695     -29.156      13.538   5.05 0.286 0.500 0.239 2.016     387.347     320.000       8.053    0 
-    370000       74000.00      36.857     -37.829      -0.972   5.30 0.286 0.692 0.357 2.410     334.385     320.000       7.143    0 
-    380000       76000.00      31.322     -25.992       5.330   5.78 0.143 0.800 0.336 1.616     284.170     320.000       7.213    0 
-    390000       78000.00      40.344     -17.160      23.185   4.76 0.143 0.667 0.492 1.229     366.024     320.000       7.382    0 
-    400000       80000.00      36.219     -33.322       2.897   5.09 0.143 0.846 0.381 1.756     328.601     320.000       6.637    0 
-    410000       82000.00      35.463     -32.560       2.903   5.01 0.214 0.800 0.339 1.362     321.741     310.000       7.125    0 
-    420000       84000.00      37.963     -40.384      -2.421   4.85 0.214 0.769 0.315 1.496     344.419     310.000       7.162    0 
-    430000       86000.00      35.633     -34.131       1.503   4.56 0.143 0.800 0.368 1.430     323.285     310.000       6.964    0 
-    440000       88000.00      37.854     -40.080      -2.226   4.42 0.143 0.800 0.295 1.404     343.430     310.000       7.285    0 
-    450000       90000.00      42.921     -39.948       2.973   4.87 0.357 0.667 0.333 1.259     389.405     310.000       6.890    0 
-    460000       92000.00      34.217     -45.063     -10.847   4.91 0.143 0.833 0.375 2.675     310.431     310.000       6.547    0 
-    470000       94000.00      35.304     -29.335       5.969   4.47 0.214 0.625 0.301 1.300     320.294     310.000       7.046    0 
-    480000       96000.00      30.505     -41.406     -10.901   4.40 0.214 0.833 0.432 2.465     276.753     310.000       6.875    0 
-    490000       98000.00      44.254     -37.772       6.482   4.74 0.286 0.667 0.386 1.722     401.492     310.000       7.172    0 
-    500000      100000.00      27.377     -22.953       4.425   4.69 0.214 0.750 0.333 1.834     248.382     310.000       7.383    0 
-    510000      102000.00      38.447     -32.923       5.523   4.69 0.286 0.733 0.279 1.600     348.807     320.000       7.246    0 
-    520000      104000.00      38.515     -37.654       0.861   5.71 0.214 0.786 0.351 1.477     349.429     320.000       6.469    0 
-    530000      106000.00      31.909     -35.087      -3.179   4.89 0.214 0.727 0.372 2.011     289.493     320.000       7.163    0 
-    540000      108000.00      36.824     -26.143      10.680   5.17 0.214 0.625 0.324 2.156     334.083     320.000       6.996    0 
-    550000      110000.00      34.817     -25.650       9.167   5.43 0.143 0.846 0.388 3.635     315.873     320.000       6.925    0 
-    560000      112000.00      34.578     -28.864       5.714   6.14 0.214 0.727 0.368 1.963     313.710     320.000       6.963    0 
-    570000      114000.00      29.781     -28.495       1.286   5.85 0.214 0.500 0.189 1.502     270.191     320.000       7.122    0 
-    580000      116000.00      51.167     -39.439      11.728   6.08 0.143 0.818 0.227 3.575     464.212     320.000       6.935    0 
-    590000      118000.00      39.892     -41.965      -2.072   6.44 0.286 0.692 0.315 1.891     361.925     320.000       6.876    0 
-    600000      120000.00      38.113     -29.485       8.628   5.39 0.357 0.444 0.369 2.232     345.777     320.000       7.161    0 
-    610000      122000.00      31.588     -39.026      -7.438   4.43 0.500 0.533 0.291 2.291     286.585     310.000       6.926    0 
-    620000      124000.00      33.436     -33.830      -0.394   3.84 0.357 0.444 0.177 2.082     303.353     310.000       7.951    0 
-    630000      126000.00      44.745     -31.125      13.619   5.20 0.286 0.667 0.405 2.854     405.946     310.000       7.047    0 
-    640000      128000.00      37.089     -34.352       2.738   5.83 0.357 0.444 0.237 1.485     336.495     310.000       7.054    0 
-    650000      130000.00      30.760     -27.150       3.610   5.09 0.286 0.667 0.405 1.784     279.069     310.000       6.749    0 
-    660000      132000.00      35.402     -35.708      -0.306   5.68 0.357 0.706 0.398 1.501     321.184     310.000       6.768    0 
-    670000      134000.00      40.915     -39.714       1.200   5.86 0.357 0.722 0.376 2.386     371.198     310.000       6.921    0 
-    680000      136000.00      40.044     -31.697       8.346   5.44 0.357 0.545 0.335 1.487     363.298     310.000       6.799    0 
-    690000      138000.00      30.466     -38.786      -8.320   5.29 0.214 0.786 0.351 1.971     276.404     310.000       6.727    0 
-    700000      140000.00      30.361     -33.423      -3.062   6.17 0.143 0.714 0.227 2.321     275.451     310.000       7.858    0 
-    710000      142000.00      31.964     -25.543       6.420   5.08 0.143 0.778 0.333 1.868     289.990     310.000       6.673    0 
-    720000      144000.00      32.719     -36.081      -3.362   5.75 0.429 0.571 0.244 2.454     296.848     310.000       6.950    0 
-    730000      146000.00      43.870     -31.012      12.857   5.29 0.214 0.800 0.273 2.801     398.008     310.000       6.531    0 
-    740000      148000.00      32.530     -36.632      -4.102   4.90 0.214 0.700 0.232 2.123     295.129     310.000       7.127    0 
-    750000      150000.00      36.675     -29.847       6.828   5.69 0.357 0.583 0.371 1.256     332.732     310.000       6.595    0 
-    760000      152000.00      40.056     -28.374      11.683   5.86 0.214 0.727 0.322 1.201     363.411     310.000       6.941    0 
-    770000      154000.00      40.898     -52.640     -11.742   4.71 0.214 0.750 0.303 1.562     371.044     310.000       6.597    0 
-    780000      156000.00      36.262     -38.157      -1.895   5.25 0.071 0.875 0.239 2.549     328.988     310.000       7.137    0 
-    790000      158000.00      35.223     -35.327      -0.103   5.88 0.143 0.778 0.232 1.558     319.563     310.000       7.148    0 
-    800000      160000.00      27.547     -52.498     -24.951   6.28 0.286 0.692 0.290 2.203     249.923     310.000       6.770    0 
-    810000      162000.00      30.362     -43.535     -13.174   6.30 0.214 0.750 0.269 1.754     275.456     300.000       7.025    0 
-    820000      164000.00      30.052     -46.894     -16.842   6.19 0.286 0.714 0.247 1.968     272.650     300.000       7.292    0 
-    830000      166000.00      30.290     -45.894     -15.604   5.32 0.357 0.583 0.254 2.022     274.809     300.000       6.513    0 
-    840000      168000.00      38.526     -54.589     -16.063   5.94 0.286 0.636 0.339 2.087     349.524     300.000       6.682    0 
-    850000      170000.00      37.626     -30.327       7.299   5.67 0.286 0.500 0.267 1.298     341.364     300.000       7.129    0 
-    860000      172000.00      36.019     -34.434       1.585   6.63 0.214 0.667 0.288 2.401     326.785     300.000       6.883    0 
-    870000      174000.00      44.205     -49.396      -5.191   6.61 0.214 0.667 0.247 1.228     401.051     300.000       7.124    0 
-    880000      176000.00      33.886     -43.826      -9.939   6.44 0.429 0.571 0.214 1.894     307.435     300.000       7.547    0 
-    890000      178000.00      36.092     -34.248       1.843   4.18 0.214 0.727 0.306 2.509     327.441     300.000       6.919    0 
-    900000      180000.00      42.501     -39.371       3.130   3.21 0.214 0.571 0.182 1.337     385.595     300.000       7.603    0 
-    910000      182000.00      28.209     -30.821      -2.612   3.67 0.357 0.615 0.357 1.320     255.929     330.000       6.413    0 
-    920000      184000.00      39.581     -36.382       3.199   3.99 0.286 0.714 0.299 1.641     359.097     330.000       6.774    0 
-    930000      186000.00      33.265     -30.430       2.835   4.11 0.214 0.769 0.434 2.530     301.798     330.000       6.252    0 
-    940000      188000.00      36.883     -25.884      10.999   3.55 0.357 0.545 0.360 2.058     334.621     330.000       7.195    0 
-    950000      190000.00      37.278     -26.590      10.688   6.77 0.143 0.800 0.323 1.743     338.206     330.000       7.035    0 
-    960000      192000.00      47.975     -36.127      11.849   5.25 0.214 0.700 0.355 1.245     435.256     330.000       7.091    0 
-    970000      194000.00      46.982     -22.793      24.189   5.37 0.143 0.833 0.413 1.990     426.246     330.000       7.134    0 
-    980000      196000.00      37.355     -18.187      19.167   6.04 0.214 0.769 0.385 1.923     338.900     330.000       7.012    0 
-    990000      198000.00      41.698     -33.800       7.898   4.77 0.143 0.778 0.303 1.248     378.307     330.000       6.810    0 
-   1000000      200000.00      34.492     -26.897       7.595   4.89 0.286 0.636 0.310 1.586     312.925     330.000       7.120    0 
+         0           0.00      26.352      24.996      51.347  12.87 0.000   NaN   NaN 0.711     239.075     250.000      15.552    0 
+     10000        2000.00      28.020     -14.917      13.103  12.04 0.071 0.000 0.136 1.623     254.213     250.000      15.230    0 
+     20000        4000.00      38.093      -5.106      32.987  11.56 0.000 1.000 0.273 3.126     345.603     250.000      15.495    0 
+     30000        6000.00      24.223     -23.978       0.245  10.85 0.000 1.000 0.273 1.726     219.766     250.000      14.565    0 
+     40000        8000.00      35.146     -11.998      23.148   8.56 0.000 1.000 0.318 1.745     318.867     250.000      12.971    0 
+     50000       10000.00      25.151     -18.010       7.141   8.75 0.000 1.000 0.303 2.189     228.184     250.000      13.259    0 
+     60000       12000.00      25.393     -23.582       1.811   5.86 0.000 1.000 0.335 1.230     230.375     250.000       7.830    0 
+     70000       14000.00      26.408     -32.197      -5.790   5.23 0.214 0.769 0.374 1.835     239.583     250.000       6.619    0 
+     80000       16000.00      24.511     -48.789     -24.279   5.38 0.071 0.900 0.245 1.882     222.372     250.000       7.055    0 
+     90000       18000.00      29.063     -41.938     -12.876   5.69 0.071 0.909 0.318 1.940     263.672     250.000       7.559    0 
+    100000       20000.00      29.313     -45.648     -16.335   5.14 0.143 0.800 0.309 2.673     265.942     250.000       7.017    0 
+    110000       22000.00      34.911     -24.556      10.356   4.82 0.143 0.778 0.414 1.978     316.731     290.000       7.002    0 
+    120000       24000.00      37.086     -28.310       8.776   4.89 0.214 0.625 0.460 1.648     336.466     290.000       7.366    0 
+    130000       26000.00      37.098     -12.481      24.617   6.03 0.214 0.750 0.326 1.475     336.573     290.000       7.229    0 
+    140000       28000.00      31.418     -30.131       1.288   4.92 0.143 0.857 0.299 2.564     285.044     290.000       6.941    0 
+    150000       30000.00      36.630     -21.648      14.982   5.46 0.143 0.778 0.288 1.708     332.326     290.000       7.152    0 
+    160000       32000.00      33.642     -16.657      16.985   5.04 0.143 0.833 0.277 1.748     305.215     290.000       6.973    0 
+    170000       34000.00      34.593     -34.114       0.479   5.50 0.071 0.941 0.364 1.612     313.844     290.000       6.432    0 
+    180000       36000.00      30.454     -26.643       3.811   5.19 0.214 0.700 0.232 2.116     276.297     290.000       7.181    0 
+    190000       38000.00      33.035     -34.165      -1.130   4.31 0.214 0.769 0.381 1.519     299.712     290.000       6.889    0 
+    200000       40000.00      32.805     -35.448      -2.643   3.44 0.286 0.600 0.382 1.727     297.620     290.000       6.550    0 
+    210000       42000.00      31.757     -40.768      -9.012   2.75 0.357 0.583 0.337 2.339     288.111     280.000       6.617    0 
+    220000       44000.00      34.055     -40.540      -6.485   3.26 0.286 0.750 0.372 2.676     308.965     280.000       6.614    0 
+    230000       46000.00      28.045     -52.290     -24.244   3.47 0.286 0.733 0.348 0.713     254.443     280.000       6.414    0 
+    240000       48000.00      39.501     -43.358      -3.857   2.47 0.500 0.533 0.327 3.000     358.376     280.000       6.385    0 
+    250000       50000.00      36.528     -50.614     -14.086   2.27 0.429 0.538 0.304 2.114     331.400     280.000       6.956    0 
+    260000       52000.00      36.141     -51.417     -15.277   2.82 0.429 0.600 0.330 2.385     327.886     280.000       6.645    0 
+    270000       54000.00      32.266     -47.766     -15.500   3.18 0.357 0.615 0.283 1.897     292.730     280.000       6.783    0 
+    280000       56000.00      27.534     -38.058     -10.524   2.53 0.357 0.643 0.234 1.053     249.806     280.000       6.930    0 
+    290000       58000.00      27.535     -50.146     -22.611   3.68 0.429 0.625 0.307 1.312     249.812     280.000       6.829    0 
+    300000       60000.00      29.778     -49.696     -19.918   3.47 0.357 0.615 0.280 1.417     270.157     280.000       6.433    0 
+    310000       62000.00      26.440     -49.230     -22.790   2.23 0.357 0.615 0.294 1.130     239.873     270.000       6.719    0 
+    320000       64000.00      34.640     -51.835     -17.195   2.95 0.429 0.667 0.311 3.917     314.276     270.000       6.461    0 
+    330000       66000.00      31.863     -54.255     -22.391   2.47 0.500 0.462 0.255 1.361     289.079     270.000       6.651    0 
+    340000       68000.00      39.242     -45.983      -6.741   2.16 0.500 0.417 0.246 1.951     356.020     270.000       6.588    0 
+    350000       70000.00      29.521     -50.999     -21.478   1.96 0.571 0.500 0.276 1.030     267.829     270.000       6.568    0 
+    360000       72000.00      29.897     -50.337     -20.440   2.10 0.429 0.600 0.333 1.372     271.238     270.000       6.684    0 
+    370000       74000.00      33.697     -49.352     -15.655   2.10 0.500 0.562 0.236 1.066     305.719     270.000       6.913    0 
+    380000       76000.00      34.254     -48.725     -14.471   2.14 0.429 0.647 0.356 1.285     310.770     270.000       6.512    0 
+    390000       78000.00      34.827     -43.348      -8.521   3.26 0.214 0.667 0.202 1.913     315.970     270.000       7.144    0 
+    400000       80000.00      33.897     -47.881     -13.983   2.69 0.357 0.545 0.227 1.861     307.534     270.000       7.267    0 
+    410000       82000.00      27.096     -33.686      -6.590   3.06 0.357 0.545 0.244 1.541     245.828     280.000       6.679    0 
+    420000       84000.00      37.286     -33.770       3.516   3.39 0.286 0.600 0.236 1.465     338.280     280.000       7.204    0 
+    430000       86000.00      29.683     -50.287     -20.604   3.43 0.214 0.800 0.348 2.009     269.295     280.000       6.515    0 
+    440000       88000.00      33.962     -42.376      -8.414   2.64 0.429 0.538 0.269 1.016     308.120     280.000       6.923    0 
+    450000       90000.00      31.624     -53.114     -21.491   3.09 0.500 0.562 0.284 1.684     286.908     280.000       6.657    0 
+    460000       92000.00      22.716     -46.993     -24.277   2.57 0.571 0.467 0.376 1.988     206.089     280.000       6.400    0 
+    470000       94000.00      22.776     -48.211     -25.435   2.23 0.500 0.588 0.305 1.140     206.635     280.000       6.709    0 
+    480000       96000.00      41.306     -37.252       4.054   3.87 0.429 0.600 0.358 2.877     374.751     280.000       6.461    0 
+    490000       98000.00      22.600     -39.847     -17.247   3.00 0.500 0.588 0.393 0.741     205.035     280.000       7.067    0 
+    500000      100000.00      33.662     -36.296      -2.634   3.63 0.429 0.600 0.330 1.840     305.396     280.000       6.241    0 
+    510000      102000.00      32.950     -58.841     -25.890   3.40 0.429 0.625 0.395 1.164     298.942     270.000       6.278    0 
+    520000      104000.00      33.732     -50.904     -17.172   4.46 0.500 0.632 0.371 0.944     306.038     270.000       6.008    0 
+    530000      106000.00      27.093     -38.355     -11.261   4.10 0.429 0.667 0.376 2.209     245.806     270.000       6.285    0 
+    540000      108000.00      32.030     -48.539     -16.509   3.44 0.357 0.643 0.318 1.256     290.597     270.000       6.708    0 
+    550000      110000.00      33.300     -57.139     -23.839   4.24 0.643 0.471 0.385 1.012     302.118     270.000       6.375    0 
+    560000      112000.00      38.020     -50.724     -12.704   3.55 0.429 0.600 0.321 1.129     344.939     270.000       6.460    0 
+    570000      114000.00      29.574     -41.393     -11.819   3.36 0.357 0.500 0.227 1.759     268.315     270.000       7.167    0 
+    580000      116000.00      31.329     -35.350      -4.021   3.19 0.357 0.706 0.299 1.672     284.235     270.000       6.422    0 
+    590000      118000.00      23.660     -32.954      -9.293   3.29 0.357 0.375 0.182 1.527     214.656     270.000       7.366    0 
+    600000      120000.00      36.998     -40.717      -3.719   2.87 0.357 0.545 0.223 1.040     335.668     270.000       6.902    0 
+    610000      122000.00      26.588     -37.631     -11.043   4.04 0.143 0.833 0.326 2.126     241.224     290.000       7.327    0 
+    620000      124000.00      32.302     -27.004       5.297   4.91 0.214 0.667 0.247 1.405     293.057     290.000       7.499    0 
+    630000      126000.00      30.216     -39.709      -9.493   3.90 0.286 0.733 0.367 1.753     274.135     290.000       6.719    0 
+    640000      128000.00      36.485     -39.687      -3.202   4.32 0.214 0.769 0.262 1.763     331.012     290.000       6.820    0 
+    650000      130000.00      43.346     -35.596       7.750   3.53 0.357 0.583 0.254 1.253     393.255     290.000       7.264    0 
+    660000      132000.00      31.364     -34.505      -3.141   4.41 0.286 0.692 0.273 2.038     284.548     290.000       7.007    0 
+    670000      134000.00      32.467     -31.771       0.696   4.38 0.357 0.643 0.347 2.321     294.559     290.000       7.350    0 
+    680000      136000.00      29.538     -27.661       1.878   5.12 0.214 0.769 0.364 1.760     267.988     290.000       7.302    0 
+    690000      138000.00      28.913     -43.142     -14.229   3.91 0.214 0.812 0.341 1.608     262.317     290.000       6.948    0 
+    700000      140000.00      37.084     -39.726      -2.641   3.65 0.286 0.636 0.302 2.940     336.449     290.000       7.637    0 
+    710000      142000.00      32.637     -42.003      -9.366   4.00 0.286 0.636 0.215 1.334     296.099     280.000       7.809    0 
+    720000      144000.00      22.927     -40.877     -17.950   3.61 0.214 0.769 0.367 1.605     208.010     280.000       7.601    0 
+    730000      146000.00      41.687     -50.338      -8.651   3.75 0.429 0.600 0.327 3.071     378.206     280.000       7.315    0 
+    740000      148000.00      38.547     -38.310       0.237   3.93 0.286 0.667 0.212 3.082     349.718     280.000       7.392    0 
+    750000      150000.00      31.887     -41.942     -10.056   4.05 0.429 0.600 0.327 2.497     289.293     280.000       7.215    0 
+    760000      152000.00      29.599     -49.681     -20.082   3.69 0.357 0.688 0.335 1.629     268.536     280.000       7.028    0 
+    770000      154000.00      30.659     -37.571      -6.912   3.72 0.357 0.643 0.269 1.930     278.150     280.000       7.125    0 
+    780000      156000.00      32.869     -44.375     -11.506   3.48 0.214 0.769 0.413 1.746     298.203     280.000       6.980    0 
+    790000      158000.00      25.046     -31.932      -6.886   3.42 0.500 0.500 0.250 3.779     227.230     280.000       7.070    0 
+    800000      160000.00      35.867     -36.585      -0.718   3.77 0.214 0.750 0.371 2.030     325.404     280.000       7.733    0 
+    810000      162000.00      31.922     -21.820      10.102   4.60 0.143 0.750 0.347 1.991     289.616     310.000       8.494    0 
+    820000      164000.00      31.446     -23.975       7.471   4.62 0.214 0.727 0.393 1.762     285.290     310.000       7.232    0 
+    830000      166000.00      31.373     -21.801       9.572   4.68 0.214 0.625 0.438 2.231     284.633     310.000       7.871    0 
+    840000      168000.00      35.162     -32.020       3.142   4.97 0.286 0.556 0.268 1.098     319.010     310.000       7.041    0 
+    850000      170000.00      41.609     -38.176       3.432   5.40 0.357 0.667 0.367 1.853     377.494     310.000       6.895    0 
+    860000      172000.00      33.141     -38.164      -5.023   4.03 0.286 0.714 0.292 1.674     300.674     310.000       6.901    0 
+    870000      174000.00      31.803     -35.960      -4.157   5.25 0.214 0.750 0.394 0.824     288.534     310.000       7.114    0 
+    880000      176000.00      48.408     -15.881      32.527   2.91 0.357 0.583 0.299 1.845     439.182     310.000       6.966    0 
+    890000      178000.00      27.221     -30.635      -3.414   3.15 0.643 0.438 0.381 1.550     246.965     310.000       6.695    0 
+    900000      180000.00      42.498     -32.516       9.983   3.49 0.357 0.545 0.314 1.858     385.566     310.000       7.098    0 
+    910000      182000.00      36.326     -31.656       4.670   3.23 0.286 0.636 0.405 1.567     329.568     300.000       6.701    0 
+    920000      184000.00      37.818     -36.615       1.203   4.94 0.143 0.833 0.409 2.273     343.107     300.000       6.677    0 
+    930000      186000.00      33.592     -42.935      -9.342   4.10 0.357 0.688 0.423 1.854     304.767     300.000       6.787    0 
+    940000      188000.00      31.031     -24.429       6.602   4.49 0.214 0.727 0.355 3.072     281.527     300.000       6.944    0 
+    950000      190000.00      33.368     -36.149      -2.781   4.58 0.286 0.692 0.283 1.475     302.727     300.000       6.740    0 
+    960000      192000.00      30.617     -37.847      -7.230   4.08 0.357 0.688 0.443 2.191     277.776     300.000       6.816    0 
+    970000      194000.00      41.259     -37.996       3.263   3.14 0.357 0.688 0.347 1.319     374.319     300.000       6.641    0 
+    980000      196000.00      35.099     -33.180       1.919   3.79 0.214 0.800 0.373 2.031     318.440     300.000       6.676    0 
+    990000      198000.00      29.453     -38.610      -9.157   4.26 0.286 0.750 0.324 1.107     267.214     300.000       6.412    0 
+   1000000      200000.00      38.755     -35.345       3.410   4.22 0.357 0.643 0.406 1.210     351.608     300.000       6.971    0 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB001.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB001.stat
index 72c8a88..5da60a4 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB001.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB001.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.710      21.377      49.087  12.87 0.000   NaN   NaN 0.938     251.403     260.000      15.552    1 
-     10000        2000.00      23.456     -24.247      -0.791  10.51 0.071 0.000 0.136 2.193     212.806     260.000      14.192    1 
-     20000        4000.00      27.340     -26.636       0.704   9.97 0.071 0.750 0.227 1.799     248.040     260.000      12.226    1 
-     30000        6000.00      34.169     -29.944       4.224  10.68 0.143 0.500 0.170 1.429     309.996     260.000      13.391    1 
-     40000        8000.00      43.566     -27.285      16.281  10.82 0.000 1.000 0.182 2.356     395.251     260.000      13.329    1 
-     50000       10000.00      29.931     -28.684       1.247  10.83 0.071 0.500 0.159 0.856     271.549     260.000      13.337    1 
-     60000       12000.00      25.818     -38.121     -12.303   8.40 0.071 0.900 0.264 2.232     234.236     260.000       9.682    1 
-     70000       14000.00      39.450     -24.443      15.008   7.23 0.000 1.000 0.295 1.577     357.915     260.000      10.193    1 
-     80000       16000.00      28.125     -34.521      -6.397   4.75 0.143 0.800 0.277 1.447     255.162     260.000       7.868    1 
-     90000       18000.00      40.383     -36.590       3.794   5.00 0.143 0.818 0.240 0.863     366.380     260.000       7.675    1 
-    100000       20000.00      23.045     -51.214     -28.169   3.65 0.500 0.462 0.280 2.724     209.079     260.000       6.853    1 
-    110000       22000.00      25.540     -66.221     -40.681   2.80 0.429 0.600 0.227 1.344     231.714     250.000       6.828    1 
-    120000       24000.00      32.099     -68.169     -36.070   2.21 0.500 0.588 0.342 1.276     291.222     250.000       6.605    1 
-    130000       26000.00      22.946     -61.200     -38.254   2.40 0.571 0.529 0.297 0.778     208.182     250.000       6.775    1 
-    140000       28000.00      35.751     -67.136     -31.385   2.47 0.429 0.667 0.351 4.444     324.355     250.000       6.401    1 
-    150000       30000.00      45.325     -57.079     -11.754   2.32 0.429 0.647 0.334 1.567     411.209     250.000       6.491    1 
-    160000       32000.00      29.217     -57.918     -28.700   2.26 0.357 0.706 0.291 2.391     265.076     250.000       6.388    1 
-    170000       34000.00      28.310     -63.024     -34.714   2.47 0.500 0.588 0.316 1.958     256.846     250.000       6.408    1 
-    180000       36000.00      29.455     -68.677     -39.222   3.89 0.429 0.647 0.270 1.231     267.232     250.000       6.293    1 
-    190000       38000.00      27.850     -68.149     -40.299   3.17 0.500 0.533 0.276 2.780     252.669     250.000       6.466    1 
-    200000       40000.00      28.884     -70.882     -41.997   3.34 0.571 0.579 0.328 1.096     262.052     250.000       6.213    1 
-    210000       42000.00      30.149     -70.482     -40.333   2.90 0.571 0.556 0.260 2.084     273.527     250.000       6.442    1 
-    220000       44000.00      23.305     -57.579     -34.275   2.47 0.429 0.571 0.282 1.716     211.432     250.000       6.522    1 
-    230000       46000.00      23.823     -55.689     -31.866   2.88 0.571 0.429 0.237 1.666     216.132     250.000       6.521    1 
-    240000       48000.00      26.645     -63.920     -37.276   2.90 0.429 0.571 0.347 0.828     241.736     250.000       6.412    1 
-    250000       50000.00      26.957     -61.334     -34.377   1.90 0.643 0.500 0.270 1.183     244.570     250.000       6.711    1 
-    260000       52000.00      23.313     -65.149     -41.836   2.09 0.643 0.438 0.284 0.722     211.508     250.000       6.356    1 
-    270000       54000.00      28.936     -72.076     -43.140   1.90 0.714 0.444 0.298 1.811     262.519     250.000       6.609    1 
-    280000       56000.00      25.892     -67.280     -41.389   1.90 0.643 0.550 0.305 1.371     234.903     250.000       6.508    1 
-    290000       58000.00      30.241     -69.275     -39.034   1.87 0.714 0.474 0.294 2.289     274.365     250.000       6.403    1 
-    300000       60000.00      30.130     -65.592     -35.462   1.92 0.500 0.588 0.332 2.039     273.358     250.000       6.545    1 
-    310000       62000.00      37.380     -67.192     -29.812   2.14 0.500 0.588 0.313 3.623     339.130     260.000       6.349    1 
-    320000       64000.00      26.896     -54.491     -27.595   1.93 0.500 0.533 0.227 2.096     244.015     260.000       6.724    1 
-    330000       66000.00      29.219     -64.050     -34.831   2.40 0.643 0.571 0.361 2.226     265.090     260.000       6.268    1 
-    340000       68000.00      31.338     -65.974     -34.636   3.07 0.571 0.556 0.227 1.651     284.312     260.000       6.780    1 
-    350000       70000.00      25.112     -60.061     -34.949   3.09 0.357 0.643 0.269 2.726     227.826     260.000       6.503    1 
-    360000       72000.00      28.439     -46.322     -17.883   4.12 0.429 0.647 0.289 1.380     258.017     260.000       6.535    1 
-    370000       74000.00      31.436     -53.118     -21.682   3.81 0.500 0.708 0.354 2.388     285.206     260.000       6.638    1 
-    380000       76000.00      38.552     -51.578     -13.025   4.14 0.357 0.667 0.303 1.551     349.766     260.000       6.748    1 
-    390000       78000.00      28.949     -52.230     -23.281   4.18 0.286 0.714 0.302 1.743     262.637     260.000       6.496    1 
-    400000       80000.00      36.350     -60.281     -23.931   3.68 0.357 0.722 0.341 1.054     329.783     260.000       6.499    1 
-    410000       82000.00      26.834     -54.996     -28.162   3.23 0.214 0.750 0.292 2.027     243.452     270.000       6.514    1 
-    420000       84000.00      31.045     -49.845     -18.799   3.74 0.357 0.706 0.257 1.661     281.657     270.000       6.895    1 
-    430000       86000.00      30.966     -52.696     -21.729   3.90 0.214 0.769 0.283 1.661     280.942     270.000       6.442    1 
-    440000       88000.00      36.434     -49.421     -12.987   3.74 0.286 0.750 0.361 1.850     330.551     270.000       6.523    1 
-    450000       90000.00      28.292     -58.924     -30.632   2.77 0.357 0.737 0.333 1.309     256.682     270.000       6.615    1 
-    460000       92000.00      28.638     -56.912     -28.274   3.00 0.286 0.765 0.324 1.571     259.817     270.000       6.369    1 
-    470000       94000.00      33.499     -64.960     -31.461   3.11 0.286 0.733 0.312 1.146     303.916     270.000       6.501    1 
-    480000       96000.00      23.404     -49.074     -25.670   3.18 0.357 0.583 0.303 0.958     212.331     270.000       6.559    1 
-    490000       98000.00      28.870     -53.302     -24.432   3.59 0.286 0.692 0.255 2.150     261.927     270.000       6.585    1 
-    500000      100000.00      31.852     -60.405     -28.552   1.70 0.429 0.538 0.248 3.304     288.979     270.000       6.693    1 
-    510000      102000.00      26.537     -54.175     -27.638   2.10 0.429 0.667 0.303 1.237     240.758     260.000       6.500    1 
-    520000      104000.00      28.915     -61.496     -32.581   2.08 0.643 0.471 0.283 1.435     262.330     260.000       6.452    1 
-    530000      106000.00      33.322     -60.651     -27.329   1.92 0.571 0.529 0.283 2.067     302.317     260.000       6.855    1 
-    540000      108000.00      25.789     -56.608     -30.819   2.19 0.500 0.611 0.285 2.078     233.971     260.000       6.488    1 
-    550000      110000.00      29.643     -61.471     -31.828   1.97 0.643 0.471 0.270 3.051     268.938     260.000       6.482    1 
-    560000      112000.00      31.716     -66.009     -34.292   1.81 0.429 0.647 0.350 1.423     287.747     260.000       6.576    1 
-    570000      114000.00      32.071     -61.531     -29.460   1.71 0.429 0.625 0.335 3.207     290.964     260.000       6.545    1 
-    580000      116000.00      26.855     -62.968     -36.113   1.98 0.643 0.500 0.318 0.631     243.644     260.000       6.700    1 
-    590000      118000.00      31.187     -59.975     -28.788   2.12 0.571 0.636 0.295 1.113     282.945     260.000       6.685    1 
-    600000      120000.00      34.685     -54.262     -19.577   1.73 0.500 0.562 0.318 2.389     314.679     260.000       6.628    1 
-    610000      122000.00      25.429     -61.689     -36.260   1.93 0.714 0.474 0.359 1.131     230.709     250.000       6.481    1 
-    620000      124000.00      21.680     -67.535     -45.855   1.91 0.429 0.625 0.295 1.133     196.695     250.000       6.604    1 
-    630000      126000.00      27.104     -68.373     -41.268   2.10 0.643 0.571 0.249 1.419     245.905     250.000       6.571    1 
-    640000      128000.00      27.647     -60.242     -32.594   1.94 0.500 0.533 0.342 0.927     250.831     250.000       6.313    1 
-    650000      130000.00      20.876     -70.838     -49.962   2.60 0.571 0.529 0.198 1.011     189.398     250.000       6.981    1 
-    660000      132000.00      31.549     -64.728     -33.180   1.87 0.714 0.474 0.316 3.626     286.225     250.000       6.452    1 
-    670000      134000.00      27.624     -70.680     -43.056   2.19 0.429 0.500 0.231 1.280     250.618     250.000       6.483    1 
-    680000      136000.00      31.379     -71.328     -39.949   1.73 0.643 0.500 0.265 1.196     284.682     250.000       6.480    1 
-    690000      138000.00      27.064     -76.058     -48.993   2.26 0.571 0.500 0.278 1.170     245.541     250.000       6.581    1 
-    700000      140000.00      27.787     -74.275     -46.488   2.73 0.643 0.526 0.249 2.078     252.100     250.000       6.675    1 
-    710000      142000.00      24.222     -57.610     -33.388   2.53 0.500 0.462 0.297 1.451     219.756     260.000       6.579    1 
-    720000      144000.00      27.421     -65.730     -38.309   2.11 0.714 0.474 0.294 1.715     248.782     260.000       6.365    1 
-    730000      146000.00      31.284     -59.319     -28.035   2.32 0.500 0.500 0.192 1.790     283.823     260.000       6.664    1 
-    740000      148000.00      28.116     -63.526     -35.410   2.39 0.500 0.611 0.293 1.053     255.086     260.000       6.542    1 
-    750000      150000.00      28.426     -64.972     -36.546   3.20 0.571 0.636 0.285 1.939     257.895     260.000       6.629    1 
-    760000      152000.00      33.395     -51.405     -18.010   3.05 0.500 0.611 0.311 1.873     302.979     260.000       6.098    1 
-    770000      154000.00      31.333     -56.295     -24.962   2.68 0.643 0.471 0.305 1.093     284.271     260.000       6.409    1 
-    780000      156000.00      28.254     -57.774     -29.520   2.05 0.571 0.579 0.287 2.225     256.334     260.000       6.336    1 
-    790000      158000.00      25.346     -59.867     -34.521   2.01 0.571 0.579 0.368 1.265     229.954     260.000       6.474    1 
-    800000      160000.00      46.077     -59.297     -13.220   2.19 0.571 0.500 0.256 3.130     418.035     260.000       6.462    1 
-    810000      162000.00      29.806     -60.369     -30.564   1.99 0.571 0.500 0.273 1.923     270.412     270.000       6.553    1 
-    820000      164000.00      32.863     -62.585     -29.722   1.60 0.643 0.550 0.268 1.826     298.150     270.000       6.546    1 
-    830000      166000.00      32.617     -58.008     -25.391   2.32 0.571 0.667 0.295 2.509     295.920     270.000       6.360    1 
-    840000      168000.00      30.625     -46.289     -15.664   1.99 0.286 0.692 0.248 1.535     277.850     270.000       6.811    1 
-    850000      170000.00      40.071     -55.887     -15.816   2.24 0.500 0.500 0.282 0.769     363.547     270.000       6.426    1 
-    860000      172000.00      28.464     -58.101     -29.637   2.01 0.571 0.529 0.345 1.452     258.242     270.000       6.470    1 
-    870000      174000.00      27.356     -54.631     -27.275   1.59 0.571 0.556 0.333 2.120     248.187     270.000       6.617    1 
-    880000      176000.00      34.476     -71.560     -37.084   2.28 0.500 0.650 0.323 1.452     312.786     270.000       6.547    1 
-    890000      178000.00      37.844     -58.326     -20.482   2.25 0.500 0.682 0.304 1.265     343.343     270.000       6.602    1 
-    900000      180000.00      32.278     -59.994     -27.716   1.64 0.500 0.588 0.299 1.156     292.840     270.000       6.591    1 
-    910000      182000.00      29.903     -54.324     -24.421   2.42 0.357 0.688 0.290 2.368     271.292     260.000       6.635    1 
-    920000      184000.00      25.505     -62.482     -36.976   2.21 0.429 0.538 0.308 1.484     231.396     260.000       6.551    1 
-    930000      186000.00      30.261     -64.526     -34.265   2.45 0.500 0.611 0.255 1.425     274.547     260.000       6.660    1 
-    940000      188000.00      31.230     -56.802     -25.572   2.11 0.286 0.733 0.309 1.557     283.334     260.000       6.447    1 
-    950000      190000.00      40.406     -56.184     -15.778   3.14 0.143 0.778 0.227 1.968     366.582     260.000       7.129    1 
-    960000      192000.00      28.623     -69.642     -41.020   1.87 0.286 0.714 0.308 2.073     259.682     260.000       6.554    1 
-    970000      194000.00      24.772     -64.588     -39.815   2.28 0.143 0.867 0.348 1.258     224.748     260.000       6.539    1 
-    980000      196000.00      22.184     -54.263     -32.079   2.01 0.286 0.692 0.241 1.928     201.264     260.000       6.696    1 
-    990000      198000.00      36.590     -65.878     -29.287   1.93 0.643 0.550 0.334 0.958     331.968     260.000       6.347    1 
-   1000000      200000.00      33.885     -54.281     -20.396   2.19 0.429 0.647 0.318 1.706     307.424     260.000       6.403    1 
+         0           0.00      26.348      24.992      51.340  12.87 0.000   NaN   NaN 0.710     239.041     260.000      15.552    1 
+     10000        2000.00      26.524     -20.029       6.496   9.44 0.071 0.667 0.227 1.080     240.643     260.000      12.225    1 
+     20000        4000.00      40.045       4.108      44.153   9.48 0.143 0.333 0.212 2.138     363.305     260.000      12.453    1 
+     30000        6000.00      30.017     -14.894      15.122   8.14 0.143 0.333 0.197 2.682     272.326     260.000      11.159    1 
+     40000        8000.00      31.749     -24.260       7.489   8.84 0.071 0.800 0.227 2.233     288.047     260.000      11.369    1 
+     50000       10000.00      32.823     -23.905       8.918   7.95 0.071 0.750 0.216 1.477     297.787     260.000      11.094    1 
+     60000       12000.00      29.618     -24.278       5.340   6.74 0.214 0.400 0.227 1.517     268.711     260.000       9.401    1 
+     70000       14000.00      27.213     -20.047       7.166   6.89 0.143 0.600 0.227 1.300     246.889     260.000       9.227    1 
+     80000       16000.00      26.362     -22.126       4.236   6.20 0.143 0.333 0.197 1.683     239.169     260.000       9.760    1 
+     90000       18000.00      30.887     -27.304       3.582   7.09 0.143 0.600 0.173 1.439     280.219     260.000       8.491    1 
+    100000       20000.00      31.387     -44.078     -12.691   3.07 0.286 0.600 0.195 2.828     284.755     260.000       7.472    1 
+    110000       22000.00      28.165     -58.440     -30.275   1.77 0.357 0.615 0.231 1.536     255.528     250.000       6.639    1 
+    120000       24000.00      21.425     -61.923     -40.498   2.37 0.500 0.632 0.251 1.035     194.377     250.000       6.342    1 
+    130000       26000.00      33.533     -54.421     -20.888   2.59 0.429 0.684 0.316 1.846     304.229     250.000       6.259    1 
+    140000       28000.00      25.235     -54.054     -28.819   2.21 0.357 0.688 0.293 1.691     228.943     250.000       6.451    1 
+    150000       30000.00      30.447     -49.812     -19.365   1.94 0.500 0.500 0.253 1.293     276.233     250.000       6.702    1 
+    160000       32000.00      33.147     -64.427     -31.280   1.88 0.500 0.588 0.289 1.221     300.728     250.000       6.361    1 
+    170000       34000.00      29.714     -57.009     -27.295   2.05 0.571 0.529 0.307 1.525     269.580     250.000       6.417    1 
+    180000       36000.00      33.203     -51.078     -17.875   2.85 0.214 0.700 0.191 2.303     301.235     250.000       6.927    1 
+    190000       38000.00      29.656     -52.890     -23.233   4.93 0.286 0.556 0.187 1.779     269.056     250.000       7.982    1 
+    200000       40000.00      23.064     -52.981     -29.917   7.06 0.286 0.714 0.260 1.235     209.246     250.000       7.222    1 
+    210000       42000.00      27.286     -50.845     -23.558   6.64 0.429 0.600 0.212 0.698     247.555     260.000       7.357    1 
+    220000       44000.00      24.893     -49.120     -24.226   6.58 0.286 0.733 0.255 0.693     225.846     260.000       7.147    1 
+    230000       46000.00      30.265     -51.006     -20.741   7.10 0.286 0.733 0.242 2.325     274.578     260.000       7.447    1 
+    240000       48000.00      24.407     -47.466     -23.059   6.45 0.357 0.583 0.208 2.428     221.433     260.000       7.390    1 
+    250000       50000.00      28.386     -49.330     -20.944   6.26 0.286 0.714 0.269 1.729     257.529     260.000       7.186    1 
+    260000       52000.00      34.489     -48.718     -14.229   6.61 0.357 0.500 0.209 1.959     312.904     260.000       7.565    1 
+    270000       54000.00      26.989     -46.401     -19.412   7.03 0.286 0.500 0.210 1.606     244.855     260.000       7.637    1 
+    280000       56000.00      26.844     -47.324     -20.480   6.22 0.286 0.692 0.213 1.258     243.545     260.000       7.687    1 
+    290000       58000.00      32.973     -55.651     -22.679   5.87 0.357 0.615 0.203 1.371     299.144     260.000       7.451    1 
+    300000       60000.00      20.565     -47.129     -26.564   7.08 0.214 0.769 0.206 1.410     186.581     260.000       7.519    1 
+    310000       62000.00      30.548     -54.252     -23.704   6.34 0.357 0.583 0.208 2.013     277.149     260.000       7.490    1 
+    320000       64000.00      28.700     -47.228     -18.529   6.02 0.357 0.583 0.208 1.443     260.377     260.000       7.362    1 
+    330000       66000.00      25.449     -46.272     -20.824   6.04 0.286 0.692 0.213 2.188     230.884     260.000       7.421    1 
+    340000       68000.00      32.877     -47.887     -15.010   6.53 0.286 0.714 0.214 3.241     298.277     260.000       7.465    1 
+    350000       70000.00      26.871     -54.061     -27.190   6.27 0.357 0.688 0.230 2.005     243.791     260.000       6.901    1 
+    360000       72000.00      28.927     -42.166     -13.238   5.54 0.286 0.714 0.256 1.189     262.443     260.000       7.418    1 
+    370000       74000.00      26.153     -43.885     -17.732   4.23 0.286 0.714 0.244 2.290     237.272     260.000       6.977    1 
+    380000       76000.00      27.428     -57.022     -29.595   4.06 0.357 0.737 0.366 3.055     248.840     260.000       6.379    1 
+    390000       78000.00      33.577     -50.735     -17.158   4.01 0.286 0.778 0.351 0.949     304.628     260.000       6.559    1 
+    400000       80000.00      27.468     -42.837     -15.369   3.73 0.357 0.667 0.276 1.023     249.203     260.000       6.747    1 
+    410000       82000.00      36.758     -48.888     -12.130   3.70 0.357 0.615 0.294 1.686     333.487     260.000       6.832    1 
+    420000       84000.00      30.836     -56.971     -26.136   4.37 0.357 0.722 0.280 1.774     279.757     260.000       6.711    1 
+    430000       86000.00      26.185     -42.241     -16.056   2.10 0.571 0.529 0.273 1.916     237.566     260.000       6.472    1 
+    440000       88000.00      30.792     -52.408     -21.616   1.88 0.357 0.583 0.258 1.352     279.358     260.000       6.783    1 
+    450000       90000.00      30.594     -46.483     -15.888   1.73 0.643 0.471 0.273 1.734     277.568     260.000       6.538    1 
+    460000       92000.00      24.780     -57.637     -32.857   1.98 0.429 0.571 0.263 0.833     224.814     260.000       6.897    1 
+    470000       94000.00      36.351     -54.562     -18.211   1.96 0.429 0.571 0.256 1.409     329.795     260.000       6.621    1 
+    480000       96000.00      36.067     -55.178     -19.111   2.33 0.429 0.625 0.267 0.627     327.216     260.000       6.454    1 
+    490000       98000.00      23.988     -53.768     -29.780   1.86 0.500 0.500 0.221 2.127     217.629     260.000       6.635    1 
+    500000      100000.00      37.257     -49.077     -11.819   1.99 0.500 0.588 0.313 1.355     338.017     260.000       6.548    1 
+    510000      102000.00      38.072     -44.348      -6.277   1.85 0.571 0.385 0.241 2.373     345.408     280.000       6.542    1 
+    520000      104000.00      24.765     -32.010      -7.245   2.36 0.429 0.400 0.223 2.490     224.685     280.000       7.186    1 
+    530000      106000.00      26.312     -36.627     -10.315   3.48 0.357 0.545 0.207 1.747     238.716     280.000       7.359    1 
+    540000      108000.00      28.412     -44.561     -16.149   6.28 0.286 0.636 0.215 1.477     257.769     280.000       7.569    1 
+    550000      110000.00      33.893     -43.114      -9.221   6.87 0.286 0.733 0.267 1.511     307.491     280.000       7.021    1 
+    560000      112000.00      41.881     -42.113      -0.232   7.17 0.214 0.750 0.250 1.618     379.970     280.000       7.431    1 
+    570000      114000.00      36.735     -33.129       3.606   6.98 0.214 0.700 0.250 1.556     333.275     280.000       7.515    1 
+    580000      116000.00      29.694     -55.811     -26.117   6.52 0.357 0.615 0.224 1.350     269.400     280.000       7.261    1 
+    590000      118000.00      27.251     -32.647      -5.396   7.28 0.286 0.714 0.240 2.771     247.235     280.000       7.345    1 
+    600000      120000.00      29.662     -46.407     -16.745   6.48 0.357 0.583 0.223 1.855     269.111     280.000       7.963    1 
+    610000      122000.00      25.431     -49.194     -23.762   4.23 0.286 0.600 0.200 1.841     230.724     270.000       8.086    1 
+    620000      124000.00      25.408     -36.178     -10.770   6.32 0.286 0.500 0.176 1.520     230.514     270.000       7.908    1 
+    630000      126000.00      33.134     -42.340      -9.206   2.97 0.429 0.600 0.288 1.488     300.613     270.000       6.473    1 
+    640000      128000.00      43.186     -36.359       6.827   2.97 0.357 0.615 0.364 1.479     391.806     270.000       6.807    1 
+    650000      130000.00      50.914     -44.487       6.427   4.16 0.429 0.667 0.290 1.590     461.922     270.000       6.418    1 
+    660000      132000.00      28.913     -50.998     -22.085   2.03 0.643 0.357 0.269 2.138     262.317     270.000       6.514    1 
+    670000      134000.00      31.419     -41.223      -9.804   1.90 0.429 0.571 0.295 1.696     285.050     270.000       6.836    1 
+    680000      136000.00      21.601     -55.766     -34.164   2.17 0.714 0.412 0.291 1.434     195.979     270.000       6.469    1 
+    690000      138000.00      31.535     -57.621     -26.086   2.94 0.643 0.500 0.273 0.978     286.098     270.000       6.481    1 
+    700000      140000.00      28.987     -53.468     -24.480   2.48 0.286 0.667 0.311 1.443     262.988     270.000       6.860    1 
+    710000      142000.00      27.500     -51.870     -24.370   2.43 0.357 0.643 0.256 1.300     249.497     260.000       6.766    1 
+    720000      144000.00      31.044     -56.171     -25.127   2.37 0.571 0.529 0.267 1.340     281.648     260.000       6.484    1 
+    730000      146000.00      23.596     -63.132     -39.537   2.14 0.714 0.444 0.275 0.615     214.071     260.000       6.607    1 
+    740000      148000.00      23.586     -49.843     -26.257   3.06 0.429 0.684 0.278 1.526     213.983     260.000       6.467    1 
+    750000      150000.00      32.749     -59.939     -27.191   3.20 0.429 0.647 0.318 2.288     297.112     260.000       6.402    1 
+    760000      152000.00      26.506     -46.853     -20.348   2.13 0.571 0.529 0.267 1.416     240.472     260.000       6.649    1 
+    770000      154000.00      35.679     -49.727     -14.048   2.32 0.500 0.417 0.239 1.336     323.696     260.000       6.770    1 
+    780000      156000.00      31.149     -44.827     -13.678   2.90 0.500 0.562 0.295 1.561     282.604     260.000       6.662    1 
+    790000      158000.00      31.941     -64.794     -32.853   1.92 0.571 0.556 0.303 1.385     289.783     260.000       6.566    1 
+    800000      160000.00      34.318     -56.008     -21.689   2.08 0.571 0.429 0.273 2.101     311.354     260.000       6.524    1 
+    810000      162000.00      32.019     -56.687     -24.668   1.88 0.786 0.389 0.318 1.153     290.492     260.000       6.682    1 
+    820000      164000.00      30.744     -57.148     -26.403   1.49 0.643 0.357 0.308 1.785     278.926     260.000       6.913    1 
+    830000      166000.00      26.603     -55.552     -28.949   2.90 0.571 0.500 0.312 0.907     241.360     260.000       6.654    1 
+    840000      168000.00      28.369     -53.943     -25.574   2.93 0.286 0.667 0.231 1.226     257.377     260.000       6.742    1 
+    850000      170000.00      27.667     -56.792     -29.124   2.86 0.643 0.526 0.297 1.868     251.014     260.000       6.583    1 
+    860000      172000.00      32.853     -53.822     -20.970   2.31 0.500 0.588 0.283 2.389     298.057     260.000       6.589    1 
+    870000      174000.00      29.542     -56.279     -26.737   2.39 0.429 0.625 0.324 1.187     268.019     260.000       6.465    1 
+    880000      176000.00      30.821     -52.926     -22.105   2.88 0.429 0.647 0.305 1.387     279.623     260.000       6.603    1 
+    890000      178000.00      30.764     -59.375     -28.611   2.94 0.286 0.750 0.324 1.231     279.109     260.000       6.776    1 
+    900000      180000.00      27.561     -46.231     -18.670   2.76 0.357 0.615 0.255 1.407     250.044     260.000       7.094    1 
+    910000      182000.00      25.926     -55.194     -29.268   3.17 0.429 0.625 0.338 0.958     235.218     280.000       6.914    1 
+    920000      184000.00      30.370     -43.176     -12.806   3.36 0.214 0.700 0.345 0.950     275.532     280.000       7.427    1 
+    930000      186000.00      27.667     -43.332     -15.665   2.63 0.286 0.714 0.295 1.459     251.007     280.000       6.947    1 
+    940000      188000.00      32.705     -41.602      -8.897   3.06 0.500 0.588 0.318 2.002     296.719     280.000       7.350    1 
+    950000      190000.00      31.412     -43.835     -12.423   2.87 0.286 0.692 0.301 1.113     284.983     280.000       7.266    1 
+    960000      192000.00      33.870     -29.176       4.695   3.05 0.357 0.722 0.338 2.665     307.290     280.000       6.825    1 
+    970000      194000.00      26.477     -43.852     -17.375   2.82 0.357 0.667 0.312 0.847     240.214     280.000       7.138    1 
+    980000      196000.00      34.007     -37.328      -3.321   2.90 0.286 0.733 0.370 1.430     308.528     280.000       6.787    1 
+    990000      198000.00      34.689     -50.067     -15.378   2.65 0.500 0.611 0.338 2.107     314.718     280.000       6.820    1 
+   1000000      200000.00      30.818     -33.122      -2.304   3.07 0.286 0.636 0.256 1.252     279.595     280.000       7.422    1 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB002.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB002.stat
index 34b5c1d..2ae3485 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB002.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB002.stat
@@ -1,101 +1,101 @@
-         0           0.00      28.625      21.354      49.979  12.87 0.000   NaN   NaN 0.937     259.698     270.000      15.552    2 
-     10000        2000.00      39.887     -26.368      13.519   8.09 0.214 0.500 0.159 1.563     361.875     270.000      11.569    2 
-     20000        4000.00      38.766     -42.887      -4.121   7.33 0.429 0.400 0.173 1.116     351.701     270.000       9.974    2 
-     30000        6000.00      39.433     -39.026       0.407   6.27 0.214 0.667 0.217 2.413     357.753     270.000       9.377    2 
-     40000        8000.00      32.794     -48.899     -16.105   6.94 0.214 0.700 0.218 2.101     297.528     270.000       8.583    2 
-     50000       10000.00      28.578     -48.743     -20.165   8.67 0.143 0.600 0.164 1.665     259.275     270.000      10.258    2 
-     60000       12000.00      35.738     -40.704      -4.967   8.02 0.286 0.556 0.162 1.248     324.232     270.000      10.117    2 
-     70000       14000.00      32.801     -49.811     -17.010   7.20 0.214 0.571 0.182 0.964     297.590     270.000       9.503    2 
-     80000       16000.00      26.043     -50.174     -24.131   6.95 0.143 0.800 0.264 1.727     236.278     270.000       8.800    2 
-     90000       18000.00      44.773     -53.436      -8.664   4.80 0.429 0.625 0.318 2.393     406.201     270.000       7.045    2 
-    100000       20000.00      29.730     -39.060      -9.330   5.13 0.214 0.812 0.344 1.486     269.726     270.000       7.119    2 
-    110000       22000.00      36.537     -56.306     -19.770   4.85 0.357 0.773 0.341 1.567     331.481     260.000       6.428    2 
-    120000       24000.00      30.935     -57.034     -26.099   4.57 0.214 0.769 0.269 1.367     280.659     260.000       7.055    2 
-    130000       26000.00      32.294     -43.933     -11.639   4.75 0.143 0.800 0.209 2.674     292.989     260.000       7.085    2 
-    140000       28000.00      34.677     -58.623     -23.946   4.90 0.214 0.812 0.312 2.541     314.606     260.000       6.576    2 
-    150000       30000.00      32.940     -53.625     -20.685   4.80 0.214 0.769 0.266 2.442     298.850     260.000       7.389    2 
-    160000       32000.00      28.212     -52.099     -23.888   5.13 0.143 0.818 0.331 1.664     255.952     260.000       7.535    2 
-    170000       34000.00      34.403     -52.361     -17.958   4.71 0.286 0.714 0.289 1.818     312.124     260.000       6.954    2 
-    180000       36000.00      33.331     -57.531     -24.200   5.05 0.143 0.882 0.340 1.351     302.395     260.000       6.743    2 
-    190000       38000.00      36.326     -54.138     -17.812   5.11 0.214 0.800 0.270 2.336     329.571     260.000       7.375    2 
-    200000       40000.00      31.760     -55.117     -23.357   4.67 0.214 0.750 0.292 1.764     288.147     260.000       6.413    2 
-    210000       42000.00      32.953     -58.259     -25.306   7.11 0.143 0.750 0.239 1.738     298.970     280.000       6.593    2 
-    220000       44000.00      31.383     -55.326     -23.943   5.83 0.143 0.800 0.218 0.880     284.720     280.000       7.657    2 
-    230000       46000.00      38.780     -47.448      -8.669   5.57 0.214 0.700 0.200 1.340     351.831     280.000       7.881    2 
-    240000       48000.00      28.722     -45.545     -16.823   6.61 0.143 0.800 0.218 1.826     260.582     280.000       7.812    2 
-    250000       50000.00      30.510     -51.934     -21.424   5.69 0.286 0.667 0.193 2.502     276.805     280.000       7.830    2 
-    260000       52000.00      35.440     -41.435      -5.995   7.09 0.214 0.667 0.237 1.702     321.532     280.000       7.795    2 
-    270000       54000.00      36.788     -47.743     -10.955   6.70 0.286 0.714 0.282 2.375     333.763     280.000       6.761    2 
-    280000       56000.00      30.430     -55.856     -25.426   6.16 0.286 0.667 0.235 0.977     276.073     280.000       6.873    2 
-    290000       58000.00      39.311     -46.597      -7.285   5.75 0.214 0.727 0.343 1.176     356.653     280.000       6.565    2 
-    300000       60000.00      26.573     -49.691     -23.117   6.76 0.214 0.750 0.318 0.321     241.088     280.000       6.709    2 
-    310000       62000.00      22.949     -59.773     -36.823   6.85 0.286 0.667 0.254 1.856     208.207     270.000       6.718    2 
-    320000       64000.00      30.648     -53.698     -23.051   6.78 0.286 0.714 0.292 0.987     278.051     270.000       6.833    2 
-    330000       66000.00      32.175     -60.869     -28.694   6.61 0.286 0.750 0.230 1.727     291.909     270.000       6.983    2 
-    340000       68000.00      29.629     -60.643     -31.014   6.15 0.214 0.750 0.235 1.614     268.810     270.000       6.809    2 
-    350000       70000.00      29.483     -51.651     -22.169   6.62 0.214 0.786 0.289 1.746     267.480     270.000       6.474    2 
-    360000       72000.00      30.443     -54.661     -24.218   5.93 0.286 0.600 0.236 1.584     276.195     270.000       6.924    2 
-    370000       74000.00      27.911     -46.828     -18.918   5.62 0.286 0.667 0.223 1.233     253.219     270.000       7.354    2 
-    380000       76000.00      30.377     -52.703     -22.326   6.43 0.357 0.688 0.216 1.916     275.599     270.000       7.162    2 
-    390000       78000.00      36.000     -46.944     -10.944   6.26 0.143 0.846 0.283 2.898     326.611     270.000       6.915    2 
-    400000       80000.00      33.008     -53.129     -20.121   4.26 0.214 0.750 0.254 0.855     299.463     270.000       6.972    2 
-    410000       82000.00      25.556     -56.442     -30.886   5.39 0.286 0.778 0.399 2.140     231.859     260.000       6.525    2 
-    420000       84000.00      31.187     -49.952     -18.765   5.10 0.500 0.611 0.295 1.030     282.949     260.000       6.651    2 
-    430000       86000.00      35.490     -53.139     -17.649   4.52 0.357 0.643 0.347 1.490     321.980     260.000       6.792    2 
-    440000       88000.00      29.765     -46.494     -16.729   5.19 0.143 0.818 0.335 2.181     270.042     260.000       6.897    2 
-    450000       90000.00      28.584     -56.696     -28.112   5.18 0.286 0.750 0.338 1.811     259.331     260.000       6.662    2 
-    460000       92000.00      42.007     -53.758     -11.751   5.83 0.286 0.778 0.366 1.223     381.114     260.000       6.640    2 
-    470000       94000.00      28.888     -58.493     -29.605   5.58 0.214 0.769 0.339 2.595     262.083     260.000       6.685    2 
-    480000       96000.00      27.998     -54.424     -26.426   4.36 0.357 0.667 0.270 1.239     254.014     260.000       6.827    2 
-    490000       98000.00      31.919     -53.525     -21.606   4.85 0.357 0.583 0.261 0.871     289.589     260.000       6.788    2 
-    500000      100000.00      34.349     -49.593     -15.244   6.51 0.214 0.786 0.286 2.948     311.635     260.000       6.590    2 
-    510000      102000.00      37.374     -54.344     -16.971   5.49 0.286 0.778 0.417 3.303     339.073     270.000       6.402    2 
-    520000      104000.00      19.968     -48.173     -28.205   6.24 0.286 0.692 0.322 1.724     181.159     270.000       6.780    2 
-    530000      106000.00      25.891     -52.634     -26.743   5.76 0.286 0.733 0.379 1.709     234.897     270.000       6.458    2 
-    540000      108000.00      32.217     -51.998     -19.781   6.81 0.214 0.786 0.305 1.891     292.288     270.000       6.448    2 
-    550000      110000.00      30.031     -51.631     -21.600   5.39 0.357 0.615 0.315 1.384     272.453     270.000       6.677    2 
-    560000      112000.00      25.507     -57.767     -32.259   5.78 0.286 0.750 0.332 1.639     231.415     270.000       6.593    2 
-    570000      114000.00      33.372     -56.323     -22.952   5.73 0.357 0.737 0.347 1.012     302.767     270.000       6.650    2 
-    580000      116000.00      36.306     -47.265     -10.959   6.24 0.429 0.684 0.347 1.906     329.386     270.000       6.484    2 
-    590000      118000.00      32.754     -40.201      -7.447   5.13 0.357 0.583 0.394 1.365     297.162     270.000       6.755    2 
-    600000      120000.00      33.026     -52.977     -19.951   5.86 0.286 0.733 0.309 1.230     299.633     270.000       6.662    2 
-    610000      122000.00      42.123     -46.363      -4.240   5.41 0.214 0.727 0.236 2.376     382.165     280.000       6.811    2 
-    620000      124000.00      30.170     -45.187     -15.017   5.44 0.214 0.800 0.345 1.732     273.714     280.000       6.660    2 
-    630000      126000.00      36.621     -48.727     -12.106   5.48 0.286 0.667 0.280 1.547     332.241     280.000       6.605    2 
-    640000      128000.00      33.873     -53.011     -19.138   5.72 0.143 0.818 0.331 0.927     307.315     280.000       6.898    2 
-    650000      130000.00      28.623     -50.142     -21.519   4.55 0.143 0.750 0.261 2.248     259.683     280.000       6.872    2 
-    660000      132000.00      28.347     -54.352     -26.005   5.04 0.143 0.846 0.325 1.382     257.175     280.000       6.630    2 
-    670000      134000.00      30.272     -48.600     -18.327   4.72 0.286 0.667 0.258 1.457     274.646     280.000       7.334    2 
-    680000      136000.00      42.330     -50.317      -7.987   4.69 0.500 0.562 0.270 2.250     384.040     280.000       6.590    2 
-    690000      138000.00      28.653     -54.704     -26.051   5.46 0.286 0.733 0.333 1.124     259.954     280.000       6.569    2 
-    700000      140000.00      37.350     -46.717      -9.368   5.76 0.286 0.714 0.286 1.770     338.856     280.000       6.940    2 
-    710000      142000.00      33.196     -56.018     -22.822   6.94 0.214 0.769 0.238 1.237     301.169     270.000       7.043    2 
-    720000      144000.00      32.021     -52.154     -20.132   6.46 0.286 0.636 0.207 1.559     290.515     270.000       7.550    2 
-    730000      146000.00      31.761     -50.236     -18.475   6.30 0.214 0.700 0.205 1.821     288.153     270.000       8.121    2 
-    740000      148000.00      31.172     -54.804     -23.632   7.00 0.214 0.769 0.231 2.350     282.809     270.000       7.139    2 
-    750000      150000.00      32.221     -48.865     -16.644   6.94 0.143 0.818 0.231 1.563     292.327     270.000       7.048    2 
-    760000      152000.00      29.986     -57.006     -27.021   6.93 0.286 0.714 0.227 1.810     272.046     270.000       6.792    2 
-    770000      154000.00      26.713     -56.038     -29.325   6.89 0.286 0.714 0.253 3.617     242.354     270.000       6.592    2 
-    780000      156000.00      33.665     -54.868     -21.203   6.33 0.286 0.733 0.309 1.190     305.428     270.000       6.733    2 
-    790000      158000.00      25.833     -57.759     -31.926   6.59 0.214 0.727 0.240 1.821     234.373     270.000       6.885    2 
-    800000      160000.00      27.779     -53.769     -25.990   5.80 0.357 0.667 0.364 2.048     252.023     270.000       6.351    2 
-    810000      162000.00      27.675     -47.733     -20.058   5.62 0.286 0.778 0.323 1.298     251.082     260.000       6.550    2 
-    820000      164000.00      28.115     -51.883     -23.768   5.66 0.286 0.636 0.273 2.275     255.072     260.000       7.006    2 
-    830000      166000.00      29.777     -50.160     -20.382   6.33 0.214 0.786 0.334 2.075     270.155     260.000       6.580    2 
-    840000      168000.00      31.998     -49.051     -17.054   5.94 0.286 0.750 0.290 1.258     290.299     260.000       6.885    2 
-    850000      170000.00      25.084     -47.627     -22.544   7.26 0.214 0.727 0.227 1.091     227.572     260.000       7.386    2 
-    860000      172000.00      32.072     -52.090     -20.018   7.06 0.214 0.750 0.205 1.665     290.971     260.000       6.916    2 
-    870000      174000.00      28.247     -57.270     -29.023   6.76 0.286 0.667 0.280 0.739     256.276     260.000       6.729    2 
-    880000      176000.00      31.536     -63.644     -32.108   6.63 0.286 0.778 0.290 1.861     286.113     260.000       6.600    2 
-    890000      178000.00      35.360     -63.863     -28.503   5.83 0.357 0.667 0.355 2.228     320.805     260.000       6.746    2 
-    900000      180000.00      27.153     -60.222     -33.069   5.92 0.286 0.733 0.288 3.196     246.350     260.000       6.500    2 
-    910000      182000.00      35.307     -59.087     -23.780   5.40 0.429 0.647 0.350 2.677     320.322     270.000       6.725    2 
-    920000      184000.00      30.955     -60.886     -29.931   5.70 0.214 0.812 0.358 1.694     280.837     270.000       6.536    2 
-    930000      186000.00      32.276     -53.497     -21.222   5.12 0.214 0.750 0.311 2.034     292.821     270.000       6.855    2 
-    940000      188000.00      30.118     -62.417     -32.299   6.86 0.286 0.765 0.302 2.213     273.245     270.000       6.423    2 
-    950000      190000.00      34.356     -52.556     -18.200   6.12 0.214 0.786 0.312 1.455     311.697     270.000       6.480    2 
-    960000      192000.00      35.776     -54.891     -19.114   6.53 0.357 0.737 0.321 2.535     324.579     270.000       6.327    2 
-    970000      194000.00      25.284     -65.940     -40.656   5.44 0.214 0.800 0.264 1.445     229.390     270.000       6.854    2 
-    980000      196000.00      27.195     -49.416     -22.222   6.30 0.286 0.750 0.324 1.347     246.726     270.000       6.630    2 
-    990000      198000.00      33.628     -57.560     -23.932   6.30 0.286 0.750 0.284 1.771     305.094     270.000       6.494    2 
-   1000000      200000.00      31.006     -45.211     -14.204   4.73 0.357 0.706 0.337 2.897     281.305     270.000       6.628    2 
+         0           0.00      30.100      24.969      55.069  12.87 0.000   NaN   NaN 0.709     273.080     270.000      15.552    2 
+     10000        2000.00      31.976     -17.608      14.369  12.99 0.000   NaN   NaN 0.719     290.107     270.000      16.311    2 
+     20000        4000.00      30.590      -3.727      26.862  11.67 0.000   NaN   NaN 2.477     277.525     270.000      15.977    2 
+     30000        6000.00      32.646     -17.738      14.908  11.72 0.000   NaN   NaN 1.379     296.178     270.000      15.031    2 
+     40000        8000.00      33.654     -12.124      21.529  10.16 0.000 1.000 0.182 3.329     305.322     270.000      13.925    2 
+     50000       10000.00      30.493     -25.244       5.249   9.11 0.000 1.000 0.182 2.655     276.652     270.000      10.529    2 
+     60000       12000.00      31.959     -23.020       8.938   5.66 0.143 0.667 0.205 2.817     289.946     270.000       9.148    2 
+     70000       14000.00      27.965     -35.994      -8.029   3.01 0.286 0.600 0.205 2.458     253.714     270.000       6.898    2 
+     80000       16000.00      21.783     -33.994     -12.211   2.93 0.214 0.769 0.364 1.905     197.622     270.000       6.842    2 
+     90000       18000.00      37.830     -37.464       0.365   3.81 0.357 0.688 0.344 1.574     343.210     270.000       6.843    2 
+    100000       20000.00      28.578     -43.165     -14.587   3.09 0.214 0.667 0.253 2.708     259.278     270.000       7.011    2 
+    110000       22000.00      28.396     -47.386     -18.990   3.85 0.429 0.625 0.386 2.191     257.620     260.000       6.466    2 
+    120000       24000.00      37.558     -48.799     -11.241   4.20 0.286 0.692 0.266 0.490     340.747     260.000       6.600    2 
+    130000       26000.00      30.732     -45.030     -14.298   3.86 0.357 0.545 0.277 1.698     278.819     260.000       6.580    2 
+    140000       28000.00      25.975     -42.930     -16.955   3.60 0.357 0.667 0.315 1.634     235.659     260.000       6.631    2 
+    150000       30000.00      32.503     -51.607     -19.104   4.21 0.357 0.706 0.326 1.028     294.885     260.000       6.536    2 
+    160000       32000.00      30.881     -47.602     -16.721   3.66 0.429 0.667 0.288 1.885     280.168     260.000       6.549    2 
+    170000       34000.00      22.423     -49.795     -27.372   1.99 0.357 0.615 0.287 1.568     203.432     260.000       7.060    2 
+    180000       36000.00      20.021     -60.390     -40.369   2.35 0.429 0.600 0.324 1.589     181.643     260.000       6.636    2 
+    190000       38000.00      32.085     -35.922      -3.837   2.91 0.429 0.667 0.366 2.323     291.093     260.000       6.656    2 
+    200000       40000.00      30.319     -45.246     -14.927   3.08 0.357 0.500 0.268 1.368     275.071     260.000       6.702    2 
+    210000       42000.00      24.546     -58.972     -34.427   2.61 0.500 0.632 0.311 3.571     222.690     250.000       6.618    2 
+    220000       44000.00      32.253     -62.803     -30.550   2.72 0.286 0.733 0.291 1.368     292.614     250.000       6.530    2 
+    230000       46000.00      27.376     -55.164     -27.788   2.75 0.286 0.714 0.299 1.008     248.371     250.000       6.723    2 
+    240000       48000.00      29.239     -58.480     -29.241   2.54 0.429 0.647 0.318 1.746     265.271     250.000       6.486    2 
+    250000       50000.00      27.673     -58.637     -30.963   2.88 0.286 0.714 0.292 1.470     251.065     250.000       6.599    2 
+    260000       52000.00      22.651     -62.142     -39.491   2.54 0.429 0.700 0.311 1.316     205.500     250.000       6.650    2 
+    270000       54000.00      31.413     -62.684     -31.272   2.74 0.429 0.667 0.364 2.575     284.991     250.000       6.693    2 
+    280000       56000.00      30.069     -58.472     -28.403   2.66 0.286 0.714 0.247 2.597     272.803     250.000       6.499    2 
+    290000       58000.00      32.645     -64.119     -31.474   3.21 0.357 0.688 0.222 1.150     296.171     250.000       6.905    2 
+    300000       60000.00      24.316     -64.707     -40.392   2.99 0.429 0.571 0.260 2.369     220.604     250.000       6.910    2 
+    310000       62000.00      28.367     -59.384     -31.017   3.22 0.429 0.571 0.250 0.982     257.362     250.000       6.869    2 
+    320000       64000.00      30.169     -61.288     -31.119   2.88 0.429 0.739 0.287 1.631     273.708     250.000       6.543    2 
+    330000       66000.00      28.429     -63.882     -35.452   2.94 0.500 0.611 0.298 3.139     257.926     250.000       6.681    2 
+    340000       68000.00      23.538     -56.329     -32.791   3.20 0.286 0.750 0.318 2.273     213.547     250.000       7.094    2 
+    350000       70000.00      28.440     -57.268     -28.828   3.16 0.357 0.615 0.252 3.824     258.020     250.000       6.852    2 
+    360000       72000.00      25.371     -59.878     -34.507   2.74 0.357 0.688 0.236 1.212     230.182     250.000       6.765    2 
+    370000       74000.00      32.782     -68.189     -35.406   2.62 0.500 0.632 0.325 1.290     297.419     250.000       6.746    2 
+    380000       76000.00      34.028     -59.223     -25.195   2.61 0.643 0.471 0.390 1.287     308.719     250.000       6.817    2 
+    390000       78000.00      27.923     -51.045     -23.122   2.93 0.214 0.727 0.281 2.685     253.332     250.000       6.853    2 
+    400000       80000.00      27.998     -59.674     -31.675   2.58 0.429 0.625 0.278 1.809     254.016     250.000       6.768    2 
+    410000       82000.00      33.818     -54.522     -20.705   2.53 0.571 0.579 0.313 1.703     306.811     250.000       6.631    2 
+    420000       84000.00      29.390     -67.394     -38.003   3.04 0.286 0.733 0.318 1.189     266.644     250.000       6.637    2 
+    430000       86000.00      25.168     -64.021     -38.853   2.70 0.357 0.737 0.344 1.451     228.333     250.000       6.550    2 
+    440000       88000.00      27.284     -63.578     -36.294   2.75 0.429 0.647 0.297 1.700     247.530     250.000       6.659    2 
+    450000       90000.00      26.906     -69.733     -42.827   2.52 0.571 0.652 0.269 3.109     244.101     250.000       6.536    2 
+    460000       92000.00      35.227     -60.303     -25.075   2.80 0.500 0.611 0.321 1.176     319.600     250.000       6.571    2 
+    470000       94000.00      29.978     -59.111     -29.132   2.86 0.357 0.667 0.333 1.629     271.977     250.000       6.727    2 
+    480000       96000.00      24.072     -53.156     -29.084   2.95 0.429 0.625 0.259 1.488     218.392     250.000       6.824    2 
+    490000       98000.00      25.883     -61.494     -35.611   3.01 0.429 0.600 0.255 1.000     234.823     250.000       6.805    2 
+    500000      100000.00      23.324     -61.997     -38.673   2.70 0.357 0.688 0.307 1.470     211.607     250.000       6.632    2 
+    510000      102000.00      29.100     -63.519     -34.419   2.63 0.357 0.722 0.346 1.161     264.013     250.000       6.648    2 
+    520000      104000.00      31.746     -57.401     -25.654   3.30 0.429 0.667 0.318 1.037     288.019     250.000       6.718    2 
+    530000      106000.00      27.294     -60.743     -33.449   2.64 0.500 0.632 0.301 1.427     247.625     250.000       6.529    2 
+    540000      108000.00      27.742     -60.416     -32.674   2.65 0.429 0.684 0.270 2.222     251.691     250.000       6.914    2 
+    550000      110000.00      27.046     -67.175     -40.129   2.95 0.571 0.600 0.302 1.517     245.376     250.000       6.568    2 
+    560000      112000.00      32.474     -60.561     -28.087   2.72 0.500 0.588 0.227 2.523     294.619     250.000       6.703    2 
+    570000      114000.00      33.975     -58.275     -24.300   3.14 0.500 0.632 0.306 2.743     308.235     250.000       6.448    2 
+    580000      116000.00      30.084     -61.839     -31.756   3.25 0.571 0.556 0.301 1.734     272.936     250.000       6.777    2 
+    590000      118000.00      29.410     -64.484     -35.075   2.83 0.357 0.722 0.280 1.770     266.821     250.000       6.531    2 
+    600000      120000.00      27.838     -63.064     -35.226   3.39 0.429 0.647 0.257 1.230     252.559     250.000       6.581    2 
+    610000      122000.00      25.271     -50.537     -25.266   3.19 0.214 0.812 0.293 2.560     229.274     250.000       6.731    2 
+    620000      124000.00      28.621     -57.263     -28.642   3.33 0.429 0.571 0.321 0.833     259.666     250.000       7.183    2 
+    630000      126000.00      26.008     -61.346     -35.339   3.52 0.429 0.684 0.289 1.114     235.955     250.000       6.834    2 
+    640000      128000.00      29.914     -61.760     -31.847   3.63 0.357 0.615 0.283 0.845     271.392     250.000       7.254    2 
+    650000      130000.00      30.985     -53.001     -22.016   3.02 0.429 0.500 0.227 2.137     281.110     250.000       6.989    2 
+    660000      132000.00      29.199     -65.784     -36.585   2.54 0.429 0.647 0.246 0.901     264.912     250.000       6.853    2 
+    670000      134000.00      30.284     -59.329     -29.044   2.74 0.286 0.636 0.186 1.178     274.755     250.000       7.169    2 
+    680000      136000.00      37.018     -65.317     -28.298   2.90 0.357 0.667 0.318 1.660     335.850     250.000       6.876    2 
+    690000      138000.00      27.826     -57.022     -29.197   2.70 0.429 0.625 0.247 2.251     252.448     250.000       6.863    2 
+    700000      140000.00      36.477     -53.913     -17.436   2.99 0.214 0.786 0.244 2.448     330.938     250.000       6.921    2 
+    710000      142000.00      33.821     -65.179     -31.358   3.07 0.286 0.714 0.247 1.866     306.838     250.000       6.808    2 
+    720000      144000.00      25.729     -58.791     -33.061   3.00 0.500 0.533 0.242 1.855     233.431     250.000       6.777    2 
+    730000      146000.00      29.126     -54.835     -25.709   3.12 0.286 0.733 0.276 2.430     264.249     250.000       6.802    2 
+    740000      148000.00      29.109     -49.314     -20.206   2.78 0.286 0.692 0.357 1.248     264.089     250.000       6.527    2 
+    750000      150000.00      28.862     -58.789     -29.928   3.53 0.286 0.765 0.299 2.809     261.848     250.000       6.805    2 
+    760000      152000.00      29.260     -56.607     -27.347   3.05 0.429 0.667 0.220 2.325     265.462     250.000       6.645    2 
+    770000      154000.00      27.589     -59.403     -31.813   2.73 0.429 0.647 0.278 1.534     250.305     250.000       6.716    2 
+    780000      156000.00      25.955     -53.023     -27.067   2.45 0.643 0.571 0.340 2.136     235.481     250.000       6.791    2 
+    790000      158000.00      23.670     -54.900     -31.230   2.60 0.357 0.643 0.338 1.540     214.746     250.000       6.696    2 
+    800000      160000.00      28.321     -66.490     -38.169   2.49 0.429 0.739 0.344 0.902     256.946     250.000       6.435    2 
+    810000      162000.00      31.489     -56.727     -25.238   2.81 0.286 0.733 0.291 1.066     285.686     250.000       6.732    2 
+    820000      164000.00      32.972     -61.451     -28.478   2.72 0.571 0.529 0.380 1.862     299.143     250.000       6.860    2 
+    830000      166000.00      21.524     -64.447     -42.922   2.78 0.429 0.684 0.309 0.704     195.281     250.000       6.601    2 
+    840000      168000.00      28.524     -57.546     -29.023   2.50 0.429 0.625 0.315 1.180     258.780     250.000       6.729    2 
+    850000      170000.00      28.740     -62.071     -33.331   2.89 0.429 0.667 0.308 1.775     260.746     250.000       6.811    2 
+    860000      172000.00      23.623     -67.062     -43.440   2.56 0.571 0.556 0.298 0.932     214.318     250.000       6.624    2 
+    870000      174000.00      26.286     -63.633     -37.347   2.63 0.429 0.667 0.306 2.047     238.477     250.000       6.617    2 
+    880000      176000.00      23.304     -69.804     -46.500   2.64 0.357 0.706 0.275 2.108     211.425     250.000       6.694    2 
+    890000      178000.00      29.159     -67.373     -38.214   2.55 0.429 0.684 0.352 1.773     264.547     250.000       6.612    2 
+    900000      180000.00      34.104     -63.415     -29.311   2.73 0.357 0.706 0.278 1.353     309.405     250.000       6.618    2 
+    910000      182000.00      31.269     -59.436     -28.167   2.71 0.571 0.667 0.309 1.796     283.691     250.000       6.420    2 
+    920000      184000.00      27.652     -58.543     -30.891   2.73 0.214 0.800 0.294 1.628     250.873     250.000       6.581    2 
+    930000      186000.00      28.969     -64.693     -35.724   2.80 0.429 0.600 0.276 0.685     262.819     250.000       6.994    2 
+    940000      188000.00      30.737     -58.916     -28.179   3.07 0.357 0.688 0.278 0.860     278.858     250.000       6.625    2 
+    950000      190000.00      25.226     -62.721     -37.495   2.79 0.429 0.684 0.323 1.155     228.862     250.000       6.702    2 
+    960000      192000.00      30.130     -60.107     -29.977   2.37 0.429 0.600 0.318 2.229     273.354     250.000       6.713    2 
+    970000      194000.00      33.626     -55.638     -22.011   2.88 0.429 0.700 0.320 1.576     305.075     250.000       6.969    2 
+    980000      196000.00      22.458     -65.592     -43.134   2.72 0.571 0.579 0.301 1.376     203.753     250.000       6.658    2 
+    990000      198000.00      25.818     -48.603     -22.785   3.04 0.500 0.632 0.270 2.004     234.233     250.000       6.978    2 
+   1000000      200000.00      33.121     -63.840     -30.719   2.74 0.500 0.696 0.310 1.343     300.493     250.000       6.749    2 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB003.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB003.stat
index 3301785..569e9a8 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB003.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB003.stat
@@ -1,101 +1,101 @@
-         0           0.00      29.700      21.317      51.016  12.87 0.000   NaN   NaN 0.936     269.453     280.000      15.552    3 
-     10000        2000.00      33.691     -19.101      14.589  11.65 0.000   NaN   NaN 1.319     305.660     280.000      15.744    3 
-     20000        4000.00      35.763     -14.911      20.852  10.60 0.071 0.500 0.159 2.506     324.460     280.000      14.551    3 
-     30000        6000.00      34.225     -10.472      23.753  10.59 0.000   NaN   NaN 1.183     310.504     280.000      14.867    3 
-     40000        8000.00      36.036     -23.339      12.697   9.79 0.071 0.667 0.182 2.036     326.933     280.000      12.393    3 
-     50000       10000.00      30.533     -26.400       4.132   8.63 0.071 0.667 0.152 2.658     277.010     280.000      11.977    3 
-     60000       12000.00      36.649     -34.152       2.497   8.62 0.357 0.545 0.236 1.452     332.499     280.000      10.598    3 
-     70000       14000.00      31.224     -47.105     -15.881   7.28 0.357 0.500 0.168 1.941     283.281     280.000       9.882    3 
-     80000       16000.00      41.822     -55.583     -13.761   5.60 0.429 0.571 0.224 0.691     379.428     280.000       7.107    3 
-     90000       18000.00      32.226     -54.448     -22.223   6.17 0.357 0.667 0.279 1.067     292.367     280.000       6.880    3 
-    100000       20000.00      35.817     -47.299     -11.482   5.58 0.286 0.733 0.333 2.407     324.951     280.000       6.750    3 
-    110000       22000.00      30.565     -52.307     -21.741   5.34 0.214 0.750 0.436 2.394     277.304     270.000       6.993    3 
-    120000       24000.00      35.172     -55.858     -20.686   5.67 0.429 0.647 0.329 1.862     319.099     270.000       6.726    3 
-    130000       26000.00      28.397     -55.975     -27.579   5.22 0.286 0.692 0.360 1.024     257.630     270.000       7.110    3 
-    140000       28000.00      34.671     -50.766     -16.095   4.83 0.429 0.625 0.321 2.501     314.557     270.000       6.717    3 
-    150000       30000.00      26.206     -51.723     -25.517   5.43 0.214 0.727 0.322 0.938     237.754     270.000       6.445    3 
-    160000       32000.00      29.202     -56.508     -27.306   6.40 0.214 0.833 0.376 1.805     264.934     270.000       6.356    3 
-    170000       34000.00      28.911     -60.912     -32.001   6.26 0.286 0.765 0.361 1.521     262.300     270.000       6.281    3 
-    180000       36000.00      37.038     -56.695     -19.657   6.62 0.214 0.833 0.341 3.380     336.024     270.000       6.549    3 
-    190000       38000.00      28.893     -58.467     -29.573   6.70 0.286 0.692 0.199 1.652     262.135     270.000       7.346    3 
-    200000       40000.00      24.827     -64.255     -39.428   6.30 0.214 0.769 0.238 2.096     225.242     270.000       6.948    3 
-    210000       42000.00      30.568     -59.609     -29.041   6.44 0.286 0.667 0.208 0.996     277.330     260.000       7.558    3 
-    220000       44000.00      28.652     -54.310     -25.657   5.27 0.357 0.615 0.206 1.669     259.950     260.000       7.484    3 
-    230000       46000.00      29.949     -51.611     -21.662   3.06 0.429 0.571 0.185 1.419     271.713     260.000       7.774    3 
-    240000       48000.00      34.025     -57.763     -23.738   3.20 0.429 0.625 0.185 0.958     308.692     260.000       7.258    3 
-    250000       50000.00      24.791     -58.425     -33.634   3.70 0.357 0.615 0.203 2.658     224.919     260.000       7.279    3 
-    260000       52000.00      28.331     -56.433     -28.102   3.47 0.357 0.688 0.227 1.809     257.034     260.000       6.772    3 
-    270000       54000.00      29.138     -55.526     -26.388   3.04 0.357 0.583 0.345 1.015     264.356     260.000       6.385    3 
-    280000       56000.00      27.463     -61.111     -33.647   2.19 0.429 0.647 0.297 1.402     249.162     260.000       6.592    3 
-    290000       58000.00      34.238     -62.344     -28.106   1.92 0.429 0.647 0.377 2.348     310.628     260.000       6.400    3 
-    300000       60000.00      26.247     -59.664     -33.418   2.19 0.429 0.625 0.284 1.427     238.124     260.000       6.609    3 
-    310000       62000.00      20.864     -63.792     -42.928   2.45 0.357 0.706 0.283 2.004     189.284     250.000       6.396    3 
-    320000       64000.00      23.527     -59.489     -35.961   2.89 0.429 0.684 0.323 1.481     213.452     250.000       6.219    3 
-    330000       66000.00      28.700     -69.346     -40.646   2.31 0.500 0.611 0.301 0.937     260.381     250.000       6.357    3 
-    340000       68000.00      26.170     -66.588     -40.417   2.29 0.571 0.579 0.289 1.301     237.431     250.000       6.293    3 
-    350000       70000.00      33.250     -66.848     -33.597   2.43 0.286 0.750 0.318 2.975     301.665     250.000       6.437    3 
-    360000       72000.00      31.378     -63.039     -31.661   1.99 0.357 0.667 0.255 1.112     284.674     250.000       6.327    3 
-    370000       74000.00      38.278     -62.515     -24.237   2.13 0.429 0.600 0.258 0.977     347.276     250.000       6.541    3 
-    380000       76000.00      32.026     -61.355     -29.330   1.85 0.500 0.533 0.248 2.236     290.552     250.000       6.786    3 
-    390000       78000.00      27.631     -65.537     -37.906   2.44 0.357 0.615 0.248 2.085     250.684     250.000       6.630    3 
-    400000       80000.00      28.668     -67.828     -39.161   2.46 0.500 0.533 0.303 1.789     260.088     250.000       6.816    3 
-    410000       82000.00      27.147     -69.220     -42.073   1.94 0.429 0.684 0.301 0.901     246.288     250.000       6.597    3 
-    420000       84000.00      35.311     -58.972     -23.661   2.01 0.429 0.600 0.333 1.111     320.360     250.000       6.434    3 
-    430000       86000.00      31.948     -56.678     -24.730   1.79 0.429 0.625 0.315 1.449     289.851     250.000       6.382    3 
-    440000       88000.00      29.466     -76.329     -46.863   1.62 0.500 0.588 0.307 1.935     267.330     250.000       6.425    3 
-    450000       90000.00      28.262     -74.529     -46.267   2.11 0.500 0.462 0.259 1.127     256.408     250.000       6.433    3 
-    460000       92000.00      24.082     -63.104     -39.023   2.37 0.357 0.706 0.294 1.377     218.482     250.000       6.369    3 
-    470000       94000.00      35.238     -67.747     -32.508   2.42 0.286 0.733 0.288 1.445     319.701     250.000       6.501    3 
-    480000       96000.00      23.181     -56.046     -32.865   2.43 0.429 0.625 0.202 1.478     210.310     250.000       6.663    3 
-    490000       98000.00      25.341     -68.874     -43.533   2.14 0.357 0.667 0.345 1.758     229.907     250.000       6.369    3 
-    500000      100000.00      34.569     -59.911     -25.342   1.83 0.571 0.467 0.236 1.648     313.628     250.000       6.916    3 
-    510000      102000.00      25.231     -71.883     -46.652   2.74 0.643 0.625 0.343 3.008     228.912     250.000       6.135    3 
-    520000      104000.00      28.079     -69.509     -41.430   2.34 0.643 0.571 0.333 1.228     254.752     250.000       6.353    3 
-    530000      106000.00      23.893     -66.664     -42.771   2.58 0.571 0.600 0.332 2.091     216.771     250.000       6.327    3 
-    540000      108000.00      31.322     -75.279     -43.957   2.31 0.357 0.688 0.321 0.835     284.172     250.000       6.489    3 
-    550000      110000.00      27.489     -78.214     -50.725   2.55 0.714 0.600 0.356 1.776     249.394     250.000       6.158    3 
-    560000      112000.00      27.958     -66.050     -38.092   2.54 0.643 0.609 0.350 1.113     253.647     250.000       6.218    3 
-    570000      114000.00      28.647     -69.972     -41.325   2.35 0.429 0.667 0.263 1.907     259.900     250.000       6.364    3 
-    580000      116000.00      33.436     -67.915     -34.479   2.39 0.643 0.471 0.299 1.344     303.352     250.000       6.457    3 
-    590000      118000.00      25.625     -71.306     -45.681   2.94 0.714 0.474 0.249 1.805     232.483     250.000       6.504    3 
-    600000      120000.00      36.775     -56.916     -20.141   2.69 0.429 0.647 0.251 1.444     333.645     250.000       6.677    3 
-    610000      122000.00      26.169     -68.934     -42.765   2.15 0.500 0.611 0.283 1.241     237.423     260.000       6.706    3 
-    620000      124000.00      28.795     -64.374     -35.579   2.42 0.571 0.529 0.257 2.178     261.247     260.000       6.501    3 
-    630000      126000.00      25.490     -62.975     -37.485   2.29 0.643 0.438 0.290 1.047     231.256     260.000       6.517    3 
-    640000      128000.00      28.947     -50.409     -21.462   2.40 0.500 0.500 0.214 1.888     262.623     260.000       6.823    3 
-    650000      130000.00      23.045     -63.135     -40.090   3.14 0.429 0.647 0.286 2.233     209.073     260.000       6.572    3 
-    660000      132000.00      36.678     -67.771     -31.093   2.62 0.500 0.462 0.206 3.033     332.763     260.000       6.721    3 
-    670000      134000.00      27.432     -58.149     -30.717   2.16 0.500 0.462 0.325 1.209     248.877     260.000       6.455    3 
-    680000      136000.00      27.025     -60.034     -33.009   2.34 0.643 0.571 0.249 1.563     245.182     260.000       6.481    3 
-    690000      138000.00      25.142     -64.295     -39.153   2.82 0.643 0.571 0.288 0.935     228.104     260.000       6.245    3 
-    700000      140000.00      26.893     -66.060     -39.167   2.64 0.500 0.611 0.318 1.469     243.987     260.000       6.413    3 
-    710000      142000.00      38.737     -68.099     -29.362   3.19 0.429 0.667 0.331 1.598     351.442     250.000       6.348    3 
-    720000      144000.00      30.392     -63.086     -32.694   2.83 0.500 0.533 0.227 1.970     275.732     250.000       6.815    3 
-    730000      146000.00      30.327     -72.629     -42.302   2.12 0.500 0.500 0.286 1.529     275.141     250.000       6.954    3 
-    740000      148000.00      26.328     -72.377     -46.050   1.97 0.643 0.438 0.253 0.978     238.858     250.000       6.866    3 
-    750000      150000.00      33.467     -71.935     -38.469   2.01 0.571 0.500 0.256 2.687     303.628     250.000       6.482    3 
-    760000      152000.00      32.825     -67.588     -34.762   2.52 0.714 0.444 0.290 1.935     297.807     250.000       6.503    3 
-    770000      154000.00      33.408     -60.630     -27.222   3.37 0.643 0.500 0.247 1.673     303.091     250.000       6.498    3 
-    780000      156000.00      39.584     -73.092     -33.508   2.48 0.714 0.500 0.318 1.222     359.127     250.000       6.211    3 
-    790000      158000.00      21.539     -59.931     -38.392   2.39 0.429 0.538 0.269 1.550     195.410     250.000       6.522    3 
-    800000      160000.00      26.026     -72.682     -46.656   1.83 0.714 0.412 0.286 1.307     236.117     250.000       6.735    3 
-    810000      162000.00      27.472     -68.402     -40.930   2.26 0.786 0.476 0.329 2.879     249.241     250.000       6.217    3 
-    820000      164000.00      26.830     -58.062     -31.232   2.51 0.643 0.526 0.256 3.240     243.415     250.000       6.385    3 
-    830000      166000.00      30.614     -68.635     -38.021   2.21 0.571 0.467 0.273 0.868     277.744     250.000       6.602    3 
-    840000      168000.00      29.203     -65.563     -36.359   2.84 0.643 0.438 0.273 1.451     264.948     250.000       6.888    3 
-    850000      170000.00      31.378     -68.624     -37.246   3.11 0.357 0.615 0.283 1.126     284.677     250.000       6.561    3 
-    860000      172000.00      32.723     -59.134     -26.411   2.50 0.571 0.429 0.231 1.322     296.879     250.000       6.374    3 
-    870000      174000.00      31.457     -66.253     -34.795   3.29 0.429 0.500 0.220 0.708     285.397     250.000       6.535    3 
-    880000      176000.00      28.911     -58.146     -29.235   2.14 0.143 0.800 0.336 1.403     262.297     250.000       6.754    3 
-    890000      178000.00      28.555     -69.795     -41.240   2.16 0.500 0.650 0.318 1.361     259.065     250.000       6.462    3 
-    900000      180000.00      27.468     -66.608     -39.140   2.48 0.571 0.600 0.282 1.916     249.203     250.000       6.244    3 
-    910000      182000.00      28.063     -66.219     -38.155   2.51 0.643 0.591 0.318 1.812     254.604     250.000       6.178    3 
-    920000      184000.00      29.228     -72.114     -42.887   2.12 0.500 0.500 0.299 1.773     265.167     250.000       6.428    3 
-    930000      186000.00      24.445     -70.762     -46.316   2.64 0.500 0.632 0.294 2.185     221.781     250.000       6.389    3 
-    940000      188000.00      24.382     -78.159     -53.777   2.04 0.571 0.529 0.321 1.325     221.203     250.000       6.423    3 
-    950000      190000.00      26.748     -72.398     -45.650   2.10 0.571 0.636 0.304 1.806     242.675     250.000       6.443    3 
-    960000      192000.00      25.555     -65.952     -40.397   2.19 0.571 0.579 0.306 1.329     231.847     250.000       6.439    3 
-    970000      194000.00      21.775     -71.755     -49.980   2.92 0.714 0.600 0.325 2.782     197.556     250.000       6.109    3 
-    980000      196000.00      28.804     -63.653     -34.849   2.57 0.643 0.591 0.326 1.994     261.327     250.000       6.277    3 
-    990000      198000.00      26.312     -71.122     -44.809   2.13 0.571 0.619 0.294 2.771     238.718     250.000       6.482    3 
-   1000000      200000.00      20.929     -72.119     -51.190   2.00 0.429 0.600 0.279 1.605     189.877     250.000       6.491    3 
+         0           0.00      26.454      24.932      51.385  12.87 0.000   NaN   NaN 0.709     240.001     280.000      15.552    3 
+     10000        2000.00      24.797      -9.980      14.816  14.33 0.000   NaN   NaN 2.181     224.969     280.000      17.886    3 
+     20000        4000.00      26.647     -19.151       7.496  10.93 0.071 0.000 0.136 1.627     241.751     280.000      14.876    3 
+     30000        6000.00      30.382      -9.779      20.603  11.97 0.000 1.000 0.227 2.136     275.638     280.000      15.041    3 
+     40000        8000.00      26.842     -19.618       7.224   9.66 0.143 0.667 0.174 1.159     243.528     280.000      11.501    3 
+     50000       10000.00      26.847     -31.225      -4.377   6.63 0.143 0.750 0.193 1.337     243.574     280.000       7.597    3 
+     60000       12000.00      28.831     -24.896       3.934   6.25 0.071 0.889 0.227 1.387     261.565     280.000       7.449    3 
+     70000       14000.00      32.090     -30.235       1.856   7.16 0.071 0.917 0.265 2.356     291.138     280.000       7.153    3 
+     80000       16000.00      30.088     -35.721      -5.633   6.78 0.143 0.778 0.308 1.940     272.974     280.000       7.364    3 
+     90000       18000.00      36.235     -31.911       4.324   6.23 0.143 0.833 0.326 1.519     328.741     280.000       7.368    3 
+    100000       20000.00      30.135     -22.651       7.485   4.23 0.071 0.900 0.386 2.113     273.402     280.000       6.958    3 
+    110000       22000.00      29.526     -39.021      -9.495   4.20 0.214 0.769 0.395 1.572     267.872     270.000       6.772    3 
+    120000       24000.00      28.873     -31.860      -2.987   5.11 0.143 0.750 0.455 2.066     261.948     270.000       7.154    3 
+    130000       26000.00      33.675     -44.682     -11.007   4.57 0.429 0.647 0.430 1.012     305.513     270.000       6.528    3 
+    140000       28000.00      34.473     -34.156       0.317   4.61 0.286 0.692 0.371 1.936     312.756     270.000       6.896    3 
+    150000       30000.00      29.198     -38.419      -9.221   4.38 0.143 0.846 0.413 1.426     264.899     270.000       6.952    3 
+    160000       32000.00      32.371     -48.916     -16.545   4.51 0.286 0.692 0.444 1.681     293.683     270.000       6.971    3 
+    170000       34000.00      37.162     -38.626      -1.464   4.49 0.286 0.733 0.458 1.693     337.148     270.000       6.917    3 
+    180000       36000.00      29.324     -40.949     -11.625   4.79 0.214 0.727 0.426 1.039     266.040     270.000       6.890    3 
+    190000       38000.00      37.601     -34.372       3.228   4.70 0.071 0.917 0.402 2.917     341.132     270.000       7.126    3 
+    200000       40000.00      40.786     -28.899      11.887   4.71 0.071 0.917 0.367 2.571     370.030     270.000       6.693    3 
+    210000       42000.00      38.820     -27.595      11.224   5.50 0.143 0.800 0.455 1.834     352.193     300.000       7.324    3 
+    220000       44000.00      46.790     -20.554      26.236   5.55 0.143 0.833 0.337 1.388     424.506     300.000       6.687    3 
+    230000       46000.00      45.592     -28.397      17.195   4.77 0.143 0.800 0.514 2.743     413.633     300.000       6.968    3 
+    240000       48000.00      29.889     -31.382      -1.493   5.49 0.214 0.667 0.308 1.579     271.167     300.000       7.104    3 
+    250000       50000.00      38.715     -31.876       6.839   5.32 0.214 0.824 0.369 2.013     351.241     300.000       7.004    3 
+    260000       52000.00      49.579      -9.608      39.972   5.53 0.286 0.750 0.406 1.832     449.811     300.000       6.606    3 
+    270000       54000.00      33.526     -23.733       9.793   5.87 0.143 0.857 0.351 1.564     304.163     300.000       6.632    3 
+    280000       56000.00      32.168     -34.378      -2.209   5.10 0.286 0.692 0.343 2.555     291.846     300.000       7.222    3 
+    290000       58000.00      36.056     -20.440      15.617   4.13 0.214 0.727 0.380 0.977     327.122     300.000       7.072    3 
+    300000       60000.00      39.187     -14.136      25.051   4.30 0.286 0.636 0.318 3.197     355.523     300.000       7.365    3 
+    310000       62000.00      34.136     -29.921       4.215   3.98 0.286 0.500 0.295 1.740     309.701     320.000       7.276    3 
+    320000       64000.00      39.140     -15.162      23.978   4.33 0.071 0.889 0.439 1.720     355.102     320.000       7.473    3 
+    330000       66000.00      42.177     -29.460      12.716   4.90 0.357 0.545 0.339 1.245     382.649     320.000       7.270    3 
+    340000       68000.00      34.528     -23.263      11.265   5.49 0.143 0.778 0.333 2.427     313.252     320.000       6.792    3 
+    350000       70000.00      29.872     -24.719       5.152   5.87 0.286 0.765 0.356 2.963     271.011     320.000       6.646    3 
+    360000       72000.00      36.348     -16.078      20.270   6.13 0.143 0.750 0.261 2.167     329.769     320.000       7.587    3 
+    370000       74000.00      46.730     -22.693      24.036   4.66 0.500 0.500 0.218 1.329     423.955     320.000       7.553    3 
+    380000       76000.00      41.044     -28.620      12.424   4.72 0.214 0.667 0.258 1.382     372.368     320.000       7.925    3 
+    390000       78000.00      26.195     -30.322      -4.127   3.54 0.286 0.429 0.208 1.896     237.658     320.000       7.332    3 
+    400000       80000.00      38.157     -28.233       9.924   3.73 0.429 0.571 0.308 2.519     346.181     320.000       7.235    3 
+    410000       82000.00      45.907     -22.415      23.492   4.27 0.286 0.636 0.351 1.987     416.489     320.000       6.874    3 
+    420000       84000.00      42.299     -39.825       2.474   3.31 0.357 0.583 0.280 1.308     383.759     320.000       6.743    3 
+    430000       86000.00      36.766     -36.319       0.447   2.37 0.429 0.500 0.360 1.735     333.562     320.000       7.080    3 
+    440000       88000.00      41.290     -13.389      27.901   3.15 0.286 0.667 0.311 2.154     374.609     320.000       7.433    3 
+    450000       90000.00      29.734     -30.359      -0.624   3.18 0.214 0.800 0.355 1.882     269.766     320.000       6.719    3 
+    460000       92000.00      41.636     -34.225       7.411   3.23 0.429 0.455 0.355 2.115     377.740     320.000       6.916    3 
+    470000       94000.00      39.309     -35.279       4.030   4.52 0.286 0.636 0.264 1.325     356.630     320.000       6.991    3 
+    480000       96000.00      38.267     -37.820       0.448   3.71 0.429 0.500 0.371 1.590     347.181     320.000       6.796    3 
+    490000       98000.00      35.944     -29.234       6.710   3.40 0.143 0.667 0.341 1.275     326.103     320.000       7.215    3 
+    500000      100000.00      37.125     -22.630      14.494   3.45 0.429 0.455 0.401 1.821     336.814     320.000       6.575    3 
+    510000      102000.00      28.715     -22.445       6.270   2.87 0.143 0.818 0.244 2.053     260.515     310.000       7.077    3 
+    520000      104000.00      36.745     -34.243       2.502   3.99 0.214 0.625 0.312 1.839     333.368     310.000       6.855    3 
+    530000      106000.00      31.683     -29.828       1.856   3.21 0.214 0.786 0.399 2.098     287.449     310.000       6.792    3 
+    540000      108000.00      33.636     -32.282       1.354   3.29 0.286 0.667 0.394 2.093     305.161     310.000       6.540    3 
+    550000      110000.00      29.740     -38.019      -8.278   3.45 0.214 0.786 0.383 0.911     269.819     310.000       6.762    3 
+    560000      112000.00      27.578     -32.720      -5.141   3.35 0.214 0.786 0.435 1.914     250.204     310.000       6.945    3 
+    570000      114000.00      43.933     -43.872       0.061   3.13 0.357 0.643 0.393 2.480     398.583     310.000       6.661    3 
+    580000      116000.00      38.020     -24.284      13.736   2.94 0.286 0.429 0.240 1.834     344.938     310.000       7.683    3 
+    590000      118000.00      26.768     -31.843      -5.075   3.55 0.214 0.700 0.382 2.168     242.854     310.000       7.028    3 
+    600000      120000.00      38.843     -33.675       5.168   4.11 0.286 0.692 0.336 2.169     352.406     310.000       6.918    3 
+    610000      122000.00      36.969     -34.383       2.586   3.48 0.357 0.643 0.315 2.361     335.398     300.000       6.757    3 
+    620000      124000.00      33.897     -34.390      -0.494   4.23 0.214 0.769 0.392 2.524     307.527     300.000       6.787    3 
+    630000      126000.00      39.521     -43.169      -3.648   3.81 0.500 0.500 0.341 1.469     358.557     300.000       6.183    3 
+    640000      128000.00      37.680     -29.304       8.376   4.13 0.429 0.625 0.466 1.194     341.854     300.000       6.746    3 
+    650000      130000.00      37.011     -33.049       3.962   3.35 0.500 0.417 0.337 1.494     335.782     300.000       6.903    3 
+    660000      132000.00      33.995     -29.123       4.872   2.99 0.357 0.583 0.258 2.508     308.420     300.000       7.064    3 
+    670000      134000.00      30.537     -30.371       0.166   3.82 0.286 0.667 0.367 1.510     277.050     300.000       6.882    3 
+    680000      136000.00      31.667     -33.902      -2.234   3.28 0.571 0.333 0.254 2.383     287.301     300.000       6.694    3 
+    690000      138000.00      33.438     -35.107      -1.669   2.40 0.500 0.417 0.269 1.783     303.366     300.000       6.749    3 
+    700000      140000.00      31.089     -41.200     -10.111   4.11 0.357 0.688 0.264 1.112     282.055     300.000       7.024    3 
+    710000      142000.00      32.786     -38.927      -6.141   2.87 0.500 0.462 0.339 1.595     297.453     290.000       6.538    3 
+    720000      144000.00      32.602     -35.369      -2.767   3.55 0.357 0.545 0.380 1.903     295.782     290.000       6.863    3 
+    730000      146000.00      27.754     -35.837      -8.084   3.41 0.500 0.588 0.390 1.145     251.794     290.000       6.442    3 
+    740000      148000.00      37.498     -34.473       3.025   4.21 0.429 0.600 0.373 1.979     340.205     290.000       6.936    3 
+    750000      150000.00      39.248     -31.470       7.779   2.75 0.286 0.636 0.281 1.288     356.080     290.000       7.085    3 
+    760000      152000.00      41.006     -35.095       5.910   3.48 0.500 0.500 0.351 2.246     372.027     290.000       6.383    3 
+    770000      154000.00      32.033     -29.223       2.810   3.39 0.214 0.625 0.182 1.859     290.617     290.000       6.886    3 
+    780000      156000.00      24.190     -46.133     -21.943   3.12 0.214 0.812 0.341 0.874     219.461     290.000       6.862    3 
+    790000      158000.00      34.588     -31.419       3.169   3.61 0.286 0.714 0.399 1.288     313.797     290.000       6.499    3 
+    800000      160000.00      29.072     -32.940      -3.868   3.40 0.429 0.571 0.422 1.953     263.753     290.000       6.953    3 
+    810000      162000.00      26.739     -33.483      -6.744   3.65 0.500 0.588 0.345 1.541     242.592     280.000       6.161    3 
+    820000      164000.00      33.488     -46.495     -13.007   4.16 0.429 0.667 0.396 1.768     303.817     280.000       6.523    3 
+    830000      166000.00      33.663     -41.174      -7.511   4.10 0.214 0.700 0.391 1.681     305.409     280.000       6.988    3 
+    840000      168000.00      28.541     -51.440     -22.899   3.77 0.429 0.684 0.344 1.281     258.943     280.000       6.518    3 
+    850000      170000.00      34.282     -43.286      -9.004   4.31 0.429 0.700 0.375 1.965     311.025     280.000       6.374    3 
+    860000      172000.00      34.077     -27.205       6.871   2.29 0.357 0.500 0.268 2.087     309.162     280.000       7.151    3 
+    870000      174000.00      31.370     -44.458     -13.088   1.94 0.357 0.545 0.248 2.229     284.608     280.000       6.842    3 
+    880000      176000.00      32.422     -35.658      -3.236   2.93 0.286 0.636 0.269 0.732     294.152     280.000       6.762    3 
+    890000      178000.00      31.038     -43.632     -12.594   1.86 0.429 0.400 0.386 1.012     281.593     280.000       6.705    3 
+    900000      180000.00      33.202     -47.587     -14.385   2.43 0.286 0.733 0.279 1.367     301.229     280.000       6.657    3 
+    910000      182000.00      28.632     -50.214     -21.582   2.44 0.571 0.579 0.289 0.657     259.760     270.000       6.514    3 
+    920000      184000.00      31.680     -42.667     -10.988   2.06 0.571 0.529 0.318 2.259     287.417     270.000       6.419    3 
+    930000      186000.00      33.221     -58.143     -24.922   1.85 0.714 0.500 0.350 1.159     301.401     270.000       6.501    3 
+    940000      188000.00      28.662     -44.894     -16.232   2.12 0.571 0.385 0.343 1.403     260.035     270.000       6.692    3 
+    950000      190000.00      27.246     -41.980     -14.734   3.09 0.214 0.786 0.315 1.598     247.188     270.000       6.635    3 
+    960000      192000.00      38.845     -39.126      -0.281   3.50 0.429 0.647 0.374 2.165     352.423     270.000       6.261    3 
+    970000      194000.00      27.441     -44.330     -16.888   3.92 0.357 0.643 0.234 2.368     248.962     270.000       6.896    3 
+    980000      196000.00      28.688     -49.280     -20.592   4.18 0.500 0.632 0.423 2.837     260.272     270.000       6.247    3 
+    990000      198000.00      29.489     -41.531     -12.043   3.10 0.429 0.538 0.266 2.070     267.536     270.000       6.490    3 
+   1000000      200000.00      28.741     -54.997     -26.256   2.87 0.429 0.684 0.318 2.282     260.757     270.000       6.490    3 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB004.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB004.stat
index 26f13f3..b6936ba 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB004.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB004.stat
@@ -1,101 +1,101 @@
-         0           0.00      31.128      21.268      52.396  12.87 0.000   NaN   NaN 0.936     282.408     290.000      15.552    4 
-     10000        2000.00      40.936     -17.049      23.887   9.70 0.000   NaN   NaN 1.934     371.394     290.000      13.562    4 
-     20000        4000.00      32.111     -17.934      14.177   8.73 0.000 1.000 0.227 2.562     291.331     290.000      11.879    4 
-     30000        6000.00      39.580     -13.375      26.205   8.21 0.071 0.667 0.227 3.836     359.087     290.000      11.805    4 
-     40000        8000.00      36.022     -19.792      16.230   7.39 0.000 1.000 0.273 1.914     326.809     290.000      10.840    4 
-     50000       10000.00      36.162     -11.059      25.102   5.78 0.000 1.000 0.489 1.856     328.076     290.000       9.372    4 
-     60000       12000.00      28.710     -11.164      17.546   6.04 0.000 1.000 0.427 1.130     260.469     290.000       8.328    4 
-     70000       14000.00      31.401     -20.683      10.718   5.71 0.071 0.857 0.344 1.715     284.885     290.000       8.906    4 
-     80000       16000.00      32.388     -26.210       6.178   6.41 0.000 1.000 0.482 2.204     293.840     290.000       8.571    4 
-     90000       18000.00      39.719     -41.636      -1.918   5.59 0.214 0.750 0.273 2.128     360.348     290.000       6.895    4 
-    100000       20000.00      35.239     -46.585     -11.346   5.93 0.286 0.692 0.297 2.601     319.706     290.000       6.909    4 
-    110000       22000.00      39.172     -46.763      -7.591   5.06 0.286 0.600 0.268 1.728     355.393     280.000       6.940    4 
-    120000       24000.00      26.168     -49.772     -23.604   5.33 0.357 0.615 0.227 1.622     237.414     280.000       6.941    4 
-    130000       26000.00      31.156     -51.582     -20.426   5.33 0.357 0.615 0.283 0.916     282.659     280.000       6.864    4 
-    140000       28000.00      31.428     -54.835     -23.407   4.85 0.357 0.667 0.358 1.211     285.134     280.000       6.752    4 
-    150000       30000.00      31.846     -51.099     -19.253   6.00 0.214 0.700 0.255 0.617     288.924     280.000       6.650    4 
-    160000       32000.00      27.523     -56.139     -28.616   5.88 0.286 0.765 0.390 1.256     249.699     280.000       6.606    4 
-    170000       34000.00      32.042     -54.643     -22.601   5.99 0.286 0.765 0.342 1.946     290.705     280.000       6.534    4 
-    180000       36000.00      26.096     -44.402     -18.305   5.69 0.214 0.800 0.330 1.966     236.759     280.000       6.886    4 
-    190000       38000.00      36.130     -50.497     -14.367   6.09 0.143 0.875 0.324 1.119     327.789     280.000       6.315    4 
-    200000       40000.00      33.971     -52.822     -18.851   6.29 0.286 0.733 0.267 1.292     308.203     280.000       6.665    4 
-    210000       42000.00      45.259     -55.162      -9.903   6.23 0.143 0.867 0.358 2.000     410.615     270.000       6.540    4 
-    220000       44000.00      29.713     -39.325      -9.612   6.22 0.286 0.750 0.332 2.341     269.576     270.000       6.677    4 
-    230000       46000.00      36.488     -55.470     -18.983   5.93 0.214 0.786 0.312 3.333     331.036     270.000       6.613    4 
-    240000       48000.00      27.191     -67.746     -40.555   5.95 0.286 0.750 0.327 2.239     246.690     270.000       6.484    4 
-    250000       50000.00      32.227     -60.495     -28.268   5.93 0.357 0.750 0.368 1.039     292.381     270.000       6.359    4 
-    260000       52000.00      54.220     -42.130      12.091   6.04 0.214 0.727 0.343 1.590     491.915     270.000       6.861    4 
-    270000       54000.00      31.961     -60.670     -28.709   6.09 0.214 0.833 0.313 2.894     289.968     270.000       6.495    4 
-    280000       56000.00      30.030     -49.348     -19.318   6.27 0.286 0.789 0.316 2.055     272.444     270.000       6.536    4 
-    290000       58000.00      27.851     -54.982     -27.131   5.87 0.214 0.786 0.299 1.105     252.679     270.000       6.515    4 
-    300000       60000.00      38.976     -47.639      -8.663   5.36 0.071 0.917 0.364 1.775     353.611     270.000       6.724    4 
-    310000       62000.00      36.314     -47.119     -10.805   4.89 0.357 0.500 0.186 1.262     329.457     300.000       7.450    4 
-    320000       64000.00      30.210     -44.958     -14.748   5.06 0.357 0.583 0.292 1.465     274.083     300.000       6.723    4 
-    330000       66000.00      36.630     -39.922      -3.292   4.61 0.214 0.750 0.356 3.068     332.329     300.000       6.862    4 
-    340000       68000.00      36.928     -48.177     -11.248   4.94 0.286 0.733 0.339 2.634     335.034     300.000       6.307    4 
-    350000       70000.00      30.148     -25.780       4.367   5.09 0.214 0.769 0.364 1.581     273.515     300.000       7.082    4 
-    360000       72000.00      35.380     -39.497      -4.117   5.35 0.214 0.786 0.383 2.433     320.990     300.000       6.564    4 
-    370000       74000.00      26.650     -40.983     -14.333   4.74 0.143 0.818 0.508 1.862     241.783     300.000       6.792    4 
-    380000       76000.00      36.004     -31.696       4.308   5.25 0.214 0.750 0.341 1.255     326.646     300.000       7.463    4 
-    390000       78000.00      37.614     -40.620      -3.006   5.58 0.143 0.833 0.379 4.277     341.256     300.000       7.431    4 
-    400000       80000.00      28.623     -40.824     -12.201   5.62 0.143 0.857 0.370 1.572     259.682     300.000       6.708    4 
-    410000       82000.00      42.673     -39.459       3.214   5.22 0.286 0.714 0.325 1.254     387.153     320.000       6.903    4 
-    420000       84000.00      35.144     -31.423       3.722   4.40 0.143 0.750 0.261 1.789     318.849     320.000       7.210    4 
-    430000       86000.00      50.206     -30.948      19.258   6.18 0.000 1.000 0.216 2.544     455.499     320.000       7.661    4 
-    440000       88000.00      45.181     -29.296      15.885   5.66 0.286 0.636 0.269 2.280     409.906     320.000       6.976    4 
-    450000       90000.00      33.916     -32.990       0.926   5.82 0.143 0.714 0.266 1.244     307.705     320.000       7.147    4 
-    460000       92000.00      36.764     -34.075       2.689   6.63 0.214 0.700 0.286 1.600     333.545     320.000       6.706    4 
-    470000       94000.00      44.959     -33.178      11.781   6.13 0.286 0.714 0.260 2.579     407.889     320.000       6.965    4 
-    480000       96000.00      36.331     -40.703      -4.372   7.05 0.214 0.727 0.236 4.201     329.617     320.000       7.546    4 
-    490000       98000.00      32.604     -30.410       2.194   6.01 0.143 0.818 0.306 1.487     295.798     320.000       7.002    4 
-    500000      100000.00      34.274     -26.928       7.347   6.26 0.143 0.800 0.282 2.032     310.955     320.000       6.787    4 
-    510000      102000.00      36.352     -39.322      -2.970   5.75 0.286 0.636 0.318 1.631     329.806     310.000       6.779    4 
-    520000      104000.00      42.978     -39.201       3.776   4.85 0.214 0.625 0.273 1.559     389.915     310.000       7.598    4 
-    530000      106000.00      40.849     -40.684       0.165   4.78 0.286 0.667 0.269 2.461     370.601     310.000       7.419    4 
-    540000      108000.00      39.221     -40.054      -0.832   5.66 0.214 0.727 0.339 1.465     355.836     310.000       6.655    4 
-    550000      110000.00      42.133     -25.509      16.624   5.89 0.071 0.833 0.333 1.526     382.255     310.000       7.720    4 
-    560000      112000.00      31.163     -30.998       0.165   6.32 0.071 0.875 0.403 2.573     282.725     310.000       6.989    4 
-    570000      114000.00      36.206     -40.725      -4.519   5.73 0.286 0.636 0.351 2.118     328.480     310.000       6.698    4 
-    580000      116000.00      42.815     -40.122       2.692   5.23 0.357 0.500 0.305 1.273     388.437     310.000       7.170    4 
-    590000      118000.00      34.628     -30.637       3.992   5.95 0.214 0.800 0.388 2.474     314.167     310.000       6.996    4 
-    600000      120000.00      41.257     -30.317      10.940   5.96 0.286 0.636 0.339 1.929     374.305     310.000       7.038    4 
-    610000      122000.00      31.512     -47.469     -15.957   5.52 0.214 0.750 0.250 1.300     285.894     300.000       6.940    4 
-    620000      124000.00      33.972     -40.951      -6.979   5.83 0.214 0.750 0.364 2.502     308.210     300.000       7.049    4 
-    630000      126000.00      40.196     -39.329       0.867   5.56 0.286 0.667 0.330 1.248     364.680     300.000       6.916    4 
-    640000      128000.00      36.299     -45.057      -8.758   5.64 0.286 0.667 0.326 2.458     329.328     300.000       7.179    4 
-    650000      130000.00      41.526     -35.532       5.994   5.85 0.429 0.600 0.370 1.659     376.745     300.000       7.130    4 
-    660000      132000.00      35.090     -39.489      -4.398   6.53 0.214 0.700 0.341 3.504     318.357     300.000       6.766    4 
-    670000      134000.00      27.509     -51.800     -24.291   4.22 0.357 0.583 0.227 1.355     249.572     300.000       7.117    4 
-    680000      136000.00      33.534     -44.101     -10.567   5.01 0.357 0.583 0.314 1.425     304.239     300.000       6.770    4 
-    690000      138000.00      41.580     -42.443      -0.863   5.80 0.286 0.600 0.350 1.805     377.236     300.000       6.855    4 
-    700000      140000.00      30.606     -39.706      -9.099   4.52 0.143 0.800 0.223 1.392     277.678     300.000       7.055    4 
-    710000      142000.00      37.602     -46.291      -8.689   4.57 0.286 0.692 0.266 1.365     341.147     290.000       6.815    4 
-    720000      144000.00      35.852     -49.371     -13.519   4.55 0.429 0.625 0.298 1.780     325.269     290.000       6.725    4 
-    730000      146000.00      32.585     -51.944     -19.359   5.91 0.143 0.846 0.304 1.256     295.632     290.000       6.521    4 
-    740000      148000.00      38.074     -44.718      -6.645   4.80 0.214 0.571 0.253 1.868     345.425     290.000       6.939    4 
-    750000      150000.00      35.296     -46.868     -11.572   5.84 0.286 0.667 0.341 1.092     320.222     290.000       6.639    4 
-    760000      152000.00      28.178     -48.501     -20.323   5.81 0.286 0.714 0.315 2.078     255.647     290.000       6.835    4 
-    770000      154000.00      27.459     -36.466      -9.007   6.51 0.357 0.583 0.250 1.938     249.123     290.000       7.432    4 
-    780000      156000.00      35.741     -37.035      -1.293   4.71 0.286 0.692 0.378 1.638     324.264     290.000       7.254    4 
-    790000      158000.00      30.798     -49.442     -18.644   5.22 0.214 0.833 0.341 1.207     279.413     290.000       6.764    4 
-    800000      160000.00      29.547     -60.856     -31.309   4.65 0.357 0.722 0.311 1.501     268.068     290.000       6.569    4 
-    810000      162000.00      38.935     -57.680     -18.745   4.90 0.357 0.688 0.327 1.502     353.235     280.000       6.862    4 
-    820000      164000.00      35.361     -53.838     -18.478   6.76 0.214 0.812 0.312 1.602     320.810     280.000       6.548    4 
-    830000      166000.00      28.432     -54.473     -26.041   5.36 0.214 0.750 0.265 1.130     257.953     280.000       6.504    4 
-    840000      168000.00      26.698     -48.430     -21.732   5.74 0.214 0.750 0.284 1.342     242.218     280.000       6.524    4 
-    850000      170000.00      32.060     -47.772     -15.713   4.90 0.357 0.722 0.364 2.445     290.862     280.000       6.643    4 
-    860000      172000.00      37.746     -57.554     -19.808   5.56 0.357 0.706 0.332 1.293     342.451     280.000       6.917    4 
-    870000      174000.00      33.899     -54.792     -20.893   6.30 0.286 0.714 0.282 1.802     307.550     280.000       6.735    4 
-    880000      176000.00      34.354     -48.254     -13.900   5.34 0.286 0.714 0.383 1.168     311.675     280.000       6.679    4 
-    890000      178000.00      34.929     -42.387      -7.458   6.56 0.286 0.667 0.269 2.544     316.897     280.000       6.708    4 
-    900000      180000.00      34.937     -44.624      -9.687   5.54 0.429 0.625 0.355 0.976     316.971     280.000       6.413    4 
-    910000      182000.00      33.873     -43.319      -9.446   6.10 0.214 0.727 0.215 0.761     307.311     290.000       7.165    4 
-    920000      184000.00      32.882     -55.902     -23.020   5.47 0.429 0.625 0.295 1.044     298.327     290.000       6.690    4 
-    930000      186000.00      26.698     -47.326     -20.627   5.61 0.429 0.500 0.242 2.036     242.220     290.000       6.953    4 
-    940000      188000.00      34.815     -44.454      -9.639   5.36 0.286 0.636 0.310 2.519     315.859     290.000       7.032    4 
-    950000      190000.00      31.880     -52.056     -20.177   6.65 0.286 0.667 0.261 1.338     289.230     290.000       6.948    4 
-    960000      192000.00      28.403     -53.309     -24.906   5.01 0.500 0.562 0.250 1.213     257.685     290.000       7.099    4 
-    970000      194000.00      30.508     -42.689     -12.181   4.98 0.286 0.692 0.350 2.536     276.785     290.000       6.741    4 
-    980000      196000.00      34.659     -48.087     -13.428   4.57 0.357 0.643 0.315 2.168     314.444     290.000       6.880    4 
-    990000      198000.00      38.788     -49.353     -10.565   5.27 0.071 0.923 0.259 1.675     351.905     290.000       6.688    4 
-   1000000      200000.00      32.707     -42.398      -9.691   5.08 0.286 0.636 0.198 1.397     296.736     290.000       7.324    4 
+         0           0.00      27.343      24.883      52.226  12.87 0.000   NaN   NaN 0.708     248.070     290.000      15.552    4 
+     10000        2000.00      36.061     -16.904      19.157  10.90 0.071 0.000 0.182 2.028     327.162     290.000      14.403    4 
+     20000        4000.00      35.798     -22.546      13.253   8.75 0.214 0.625 0.193 1.505     324.782     290.000      11.772    4 
+     30000        6000.00      31.093     -14.119      16.974   5.82 0.071 0.857 0.240 1.646     282.093     290.000       9.885    4 
+     40000        8000.00      26.707     -26.711      -0.004   7.32 0.143 0.500 0.227 0.795     242.297     290.000      10.536    4 
+     50000       10000.00      36.971     -29.042       7.928   5.48 0.071 0.900 0.236 1.398     335.416     290.000       8.859    4 
+     60000       12000.00      39.030     -29.453       9.577   5.57 0.357 0.545 0.219 3.513     354.102     290.000       7.906    4 
+     70000       14000.00      32.294     -27.761       4.532   5.87 0.357 0.500 0.186 2.838     292.985     290.000       9.002    4 
+     80000       16000.00      41.839     -40.104       1.735   6.36 0.214 0.700 0.223 3.046     379.587     290.000       7.218    4 
+     90000       18000.00      31.904     -33.474      -1.570   5.06 0.357 0.643 0.214 1.855     289.451     290.000       7.322    4 
+    100000       20000.00      34.882     -44.682      -9.800   5.80 0.286 0.692 0.220 1.621     316.471     290.000       7.119    4 
+    110000       22000.00      26.065     -43.536     -17.472   5.09 0.286 0.714 0.234 1.395     236.474     280.000       7.144    4 
+    120000       24000.00      34.414     -40.460      -6.046   6.30 0.214 0.700 0.232 1.615     312.218     280.000       7.100    4 
+    130000       26000.00      26.931     -34.957      -8.026   5.58 0.286 0.600 0.227 0.940     244.331     280.000       7.086    4 
+    140000       28000.00      32.907     -36.731      -3.825   5.75 0.286 0.600 0.205 1.587     298.546     280.000       7.552    4 
+    150000       30000.00      29.303     -42.706     -13.403   6.11 0.357 0.643 0.214 2.131     265.853     280.000       7.641    4 
+    160000       32000.00      29.291     -35.035      -5.743   5.86 0.357 0.667 0.230 1.756     265.748     280.000       7.635    4 
+    170000       34000.00      28.008     -40.624     -12.616   5.59 0.214 0.750 0.261 1.095     254.102     280.000       7.113    4 
+    180000       36000.00      32.870     -33.680      -0.810   6.09 0.286 0.667 0.208 2.815     298.210     280.000       6.968    4 
+    190000       38000.00      30.454     -43.628     -13.174   6.41 0.286 0.692 0.234 1.420     276.292     280.000       7.573    4 
+    200000       40000.00      47.796     -41.610       6.186   5.91 0.286 0.692 0.227 2.632     433.632     280.000       7.223    4 
+    210000       42000.00      33.624     -53.093     -19.469   6.24 0.429 0.538 0.213 1.869     305.056     270.000       6.867    4 
+    220000       44000.00      29.983     -47.321     -17.337   6.03 0.214 0.727 0.223 1.070     272.025     270.000       7.280    4 
+    230000       46000.00      37.870     -43.409      -5.539   5.78 0.214 0.727 0.231 1.844     343.575     270.000       7.419    4 
+    240000       48000.00      28.857     -44.773     -15.916   6.04 0.286 0.556 0.182 0.566     261.805     270.000       7.140    4 
+    250000       50000.00      25.557     -46.170     -20.613   5.88 0.214 0.800 0.245 0.829     231.867     270.000       7.415    4 
+    260000       52000.00      36.320     -46.689     -10.369   5.91 0.429 0.571 0.218 1.978     329.513     270.000       6.893    4 
+    270000       54000.00      31.641     -51.456     -19.816   5.71 0.214 0.800 0.236 2.239     287.060     270.000       6.871    4 
+    280000       56000.00      33.760     -45.355     -11.595   6.32 0.286 0.692 0.252 1.268     306.290     270.000       7.265    4 
+    290000       58000.00      25.816     -48.127     -22.311   5.42 0.286 0.556 0.202 1.506     234.214     270.000       7.312    4 
+    300000       60000.00      26.133     -23.816       2.317   5.50 0.286 0.692 0.220 1.715     237.094     270.000       6.934    4 
+    310000       62000.00      27.978     -35.816      -7.838   5.89 0.286 0.500 0.176 1.437     253.828     290.000       8.336    4 
+    320000       64000.00      31.917     -31.068       0.849   4.80 0.000 1.000 0.227 1.228     289.567     290.000       8.187    4 
+    330000       66000.00      36.290     -34.863       1.428   6.01 0.143 0.800 0.232 1.080     329.243     290.000       7.158    4 
+    340000       68000.00      35.463     -31.219       4.244   3.03 0.214 0.625 0.188 1.359     321.742     290.000       7.844    4 
+    350000       70000.00      33.547     -40.931      -7.384   3.97 0.357 0.667 0.248 1.464     304.356     290.000       6.831    4 
+    360000       72000.00      29.932     -49.084     -19.152   4.60 0.214 0.769 0.318 0.748     271.561     290.000       6.996    4 
+    370000       74000.00      52.121     -34.161      17.959   3.68 0.429 0.538 0.269 3.468     472.866     290.000       7.091    4 
+    380000       76000.00      44.766     -41.132       3.634   4.01 0.286 0.500 0.295 3.114     406.137     290.000       6.825    4 
+    390000       78000.00      30.466     -38.339      -7.873   4.01 0.286 0.692 0.294 1.607     276.401     290.000       6.795    4 
+    400000       80000.00      41.576     -37.659       3.917   3.52 0.286 0.667 0.303 1.427     377.197     290.000       6.868    4 
+    410000       82000.00      29.116     -16.908      12.207   6.38 0.214 0.500 0.159 1.226     264.154     310.000       8.391    4 
+    420000       84000.00      30.324     -42.031     -11.707   7.20 0.143 0.714 0.227 1.921     275.119     310.000       7.526    4 
+    430000       86000.00      33.182     -32.832       0.350   7.17 0.214 0.571 0.208 2.097     301.040     310.000       8.005    4 
+    440000       88000.00      31.281     -44.923     -13.642   6.52 0.286 0.636 0.211 1.000     283.798     310.000       7.511    4 
+    450000       90000.00      36.650     -18.687      17.963   8.14 0.143 0.500 0.216 1.303     332.506     310.000      10.071    4 
+    460000       92000.00      30.398     -17.010      13.388   7.21 0.071 0.500 0.159 1.243     275.787     310.000       9.028    4 
+    470000       94000.00      38.923     -23.752      15.171   6.85 0.214 0.571 0.221 1.166     353.134     310.000       7.797    4 
+    480000       96000.00      27.670     -38.261     -10.591   5.79 0.286 0.636 0.256 2.184     251.036     310.000       6.865    4 
+    490000       98000.00      35.647     -25.075      10.572   5.73 0.286 0.600 0.355 3.072     323.407     310.000       6.827    4 
+    500000      100000.00      34.649     -31.357       3.292   5.24 0.214 0.667 0.253 0.975     314.357     310.000       7.225    4 
+    510000      102000.00      37.116     -42.015      -4.899   4.43 0.286 0.667 0.258 2.419     336.735     300.000       7.174    4 
+    520000      104000.00      33.407     -34.181      -0.774   5.30 0.071 0.909 0.335 2.478     303.084     300.000       6.837    4 
+    530000      106000.00      31.738     -29.033       2.705   5.33 0.214 0.700 0.314 1.409     287.939     300.000       7.057    4 
+    540000      108000.00      29.523     -36.617      -7.094   4.75 0.357 0.500 0.236 1.369     267.850     300.000       7.146    4 
+    550000      110000.00      30.774     -41.989     -11.214   5.16 0.429 0.625 0.324 2.130     279.201     300.000       6.909    4 
+    560000      112000.00      30.343     -38.700      -8.356   6.07 0.286 0.667 0.280 2.144     275.291     300.000       6.650    4 
+    570000      114000.00      30.720     -30.855      -0.134   6.00 0.286 0.636 0.322 1.424     278.711     300.000       6.497    4 
+    580000      116000.00      38.483     -28.040      10.443   5.34 0.286 0.600 0.323 2.469     349.133     300.000       7.187    4 
+    590000      118000.00      34.791     -28.212       6.579   5.60 0.357 0.688 0.290 3.200     315.643     300.000       6.508    4 
+    600000      120000.00      35.236     -30.396       4.839   4.79 0.357 0.583 0.235 1.718     319.679     300.000       7.288    4 
+    610000      122000.00      32.283     -34.621      -2.338   5.87 0.286 0.500 0.239 1.850     292.888     320.000       6.901    4 
+    620000      124000.00      36.488     -26.251      10.237   5.92 0.143 0.800 0.323 1.346     331.039     320.000       6.983    4 
+    630000      126000.00      38.857     -33.292       5.565   4.84 0.214 0.769 0.290 2.603     352.531     320.000       6.719    4 
+    640000      128000.00      40.422     -18.392      22.030   5.86 0.071 0.800 0.191 1.272     366.733     320.000       8.543    4 
+    650000      130000.00      32.954     -29.041       3.913   6.58 0.214 0.700 0.268 2.610     298.978     320.000       7.306    4 
+    660000      132000.00      32.477     -32.108       0.368   5.01 0.214 0.700 0.255 1.117     294.644     320.000       7.264    4 
+    670000      134000.00      49.506     -42.123       7.382   5.51 0.143 0.800 0.418 0.468     449.140     320.000       7.040    4 
+    680000      136000.00      34.135     -26.082       8.053   6.30 0.071 0.889 0.369 1.561     309.690     320.000       7.052    4 
+    690000      138000.00      34.755     -32.589       2.166   5.22 0.214 0.727 0.281 1.639     315.313     320.000       6.872    4 
+    700000      140000.00      48.885     -27.108      21.777   6.13 0.143 0.846 0.297 2.494     443.514     320.000       6.965    4 
+    710000      142000.00      38.253     -26.463      11.790   5.82 0.071 0.900 0.436 2.853     347.051     310.000       7.137    4 
+    720000      144000.00      34.431     -41.205      -6.774   5.96 0.214 0.769 0.392 1.205     312.376     310.000       6.721    4 
+    730000      146000.00      34.541     -29.813       4.728   5.89 0.143 0.818 0.364 1.170     313.372     310.000       6.773    4 
+    740000      148000.00      35.712     -20.885      14.827   4.70 0.214 0.700 0.241 1.814     323.998     310.000       7.556    4 
+    750000      150000.00      31.403     -20.220      11.182   4.44 0.143 0.778 0.369 2.866     284.901     310.000       7.744    4 
+    760000      152000.00      42.825     -18.514      24.310   5.37 0.071 0.900 0.355 2.078     388.528     310.000       6.661    4 
+    770000      154000.00      33.849     -28.584       5.265   5.39 0.214 0.625 0.244 1.810     307.100     310.000       7.054    4 
+    780000      156000.00      43.615     -36.181       7.434   6.49 0.214 0.700 0.250 1.570     395.699     310.000       7.763    4 
+    790000      158000.00      33.945     -36.602      -2.656   6.65 0.357 0.667 0.276 1.263     307.968     310.000       6.867    4 
+    800000      160000.00      37.334     -36.814       0.520   6.13 0.214 0.727 0.240 2.269     338.712     310.000       7.532    4 
+    810000      162000.00      35.237     -18.099      17.137   6.49 0.143 0.667 0.205 1.979     319.685     300.000       8.490    4 
+    820000      164000.00      33.555     -29.707       3.847   4.38 0.429 0.400 0.182 3.399     304.425     300.000       8.340    4 
+    830000      166000.00      33.418     -28.782       4.636   3.93 0.357 0.583 0.424 1.978     303.182     300.000       6.532    4 
+    840000      168000.00      33.531     -35.138      -1.607   4.58 0.429 0.625 0.259 1.285     304.214     300.000       6.909    4 
+    850000      170000.00      40.338     -18.382      21.956   4.76 0.286 0.556 0.283 1.854     365.969     300.000       6.875    4 
+    860000      172000.00      30.929     -32.410      -1.481   4.87 0.286 0.600 0.295 1.248     280.604     300.000       7.023    4 
+    870000      174000.00      34.400     -33.744       0.655   4.85 0.214 0.700 0.409 1.404     312.090     300.000       7.035    4 
+    880000      176000.00      21.946     -26.276      -4.330   5.29 0.214 0.769 0.332 2.159     199.105     300.000       6.934    4 
+    890000      178000.00      42.697     -34.638       8.059   4.92 0.214 0.727 0.326 1.787     387.366     300.000       7.137    4 
+    900000      180000.00      39.213     -24.940      14.274   4.27 0.143 0.600 0.200 2.403     355.764     300.000       7.416    4 
+    910000      182000.00      34.637     -44.952     -10.315   3.81 0.286 0.667 0.220 3.933     314.249     290.000       6.881    4 
+    920000      184000.00      35.444     -37.072      -1.629   4.39 0.357 0.667 0.342 2.079     321.564     290.000       6.611    4 
+    930000      186000.00      34.988     -31.800       3.188   3.55 0.357 0.583 0.303 0.983     317.431     290.000       6.942    4 
+    940000      188000.00      38.571     -37.054       1.517   3.80 0.143 0.800 0.373 2.424     349.932     290.000       7.421    4 
+    950000      190000.00      33.158     -29.424       3.734   3.93 0.286 0.600 0.345 1.175     300.827     290.000       7.207    4 
+    960000      192000.00      33.797     -28.089       5.708   4.51 0.214 0.625 0.364 1.429     306.624     290.000       7.427    4 
+    970000      194000.00      36.541     -19.076      17.465   4.67 0.071 0.889 0.399 1.408     331.517     290.000       7.462    4 
+    980000      196000.00      42.367     -35.081       7.285   5.55 0.214 0.700 0.295 2.110     384.375     290.000       6.715    4 
+    990000      198000.00      47.553     -23.895      23.658   5.57 0.214 0.812 0.384 3.849     431.426     290.000       6.813    4 
+   1000000      200000.00      34.442     -46.498     -12.056   4.69 0.214 0.769 0.367 1.540     312.472     290.000       6.943    4 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB005.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB005.stat
index ad318e9..d547203 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB005.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB005.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.270      21.213      54.483  12.87 0.000   NaN   NaN 0.935     301.842     300.000      15.552    5 
-     10000        2000.00      49.027       4.381      53.408   8.41 0.000   NaN   NaN 3.241     444.799     300.000      13.006    5 
-     20000        4000.00      38.730     -20.495      18.235  10.44 0.000   NaN   NaN 2.054     351.377     300.000      14.995    5 
-     30000        6000.00      42.577       2.802      45.379  12.51 0.000   NaN   NaN 4.537     386.277     300.000      16.236    5 
-     40000        8000.00      31.688      -6.589      25.099  12.28 0.000   NaN   NaN 4.227     287.489     300.000      15.989    5 
-     50000       10000.00      29.301     -24.826       4.475   9.21 0.143 0.500 0.193 1.470     265.832     300.000      12.130    5 
-     60000       12000.00      30.765     -24.040       6.726   6.59 0.143 0.818 0.269 2.778     279.118     300.000       7.530    5 
-     70000       14000.00      31.268     -42.255     -10.987   6.34 0.071 0.889 0.207 1.184     283.680     300.000       8.044    5 
-     80000       16000.00      43.090     -40.089       3.001   3.44 0.214 0.571 0.169 2.238     390.937     300.000       7.444    5 
-     90000       18000.00      35.568     -33.020       2.547   4.76 0.143 0.818 0.219 1.083     322.687     300.000       7.511    5 
-    100000       20000.00      33.503     -44.284     -10.782   4.90 0.143 0.818 0.227 3.289     303.952     300.000       7.245    5 
-    110000       22000.00      31.955     -46.287     -14.332   6.24 0.214 0.750 0.216 1.293     289.916     290.000       7.175    5 
-    120000       24000.00      40.093     -47.164      -7.071   6.95 0.143 0.846 0.297 1.899     363.741     290.000       6.559    5 
-    130000       26000.00      30.447     -52.317     -21.870   6.36 0.286 0.714 0.234 1.051     276.234     290.000       7.084    5 
-    140000       28000.00      35.863     -47.547     -11.684   5.09 0.286 0.500 0.176 1.276     325.364     290.000       8.601    5 
-    150000       30000.00      38.180     -35.817       2.362   6.08 0.143 0.778 0.192 1.872     346.385     290.000       8.489    5 
-    160000       32000.00      31.879     -46.634     -14.755   6.49 0.286 0.667 0.189 2.077     289.223     290.000       7.948    5 
-    170000       34000.00      32.128     -52.043     -19.914   6.56 0.286 0.714 0.256 1.073     291.485     290.000       6.841    5 
-    180000       36000.00      39.134     -43.299      -4.166   6.71 0.286 0.692 0.238 0.824     355.042     290.000       7.371    5 
-    190000       38000.00      27.471     -38.491     -11.020   5.30 0.143 0.667 0.205 1.482     249.234     290.000       8.060    5 
-    200000       40000.00      34.288     -41.982      -7.695   6.52 0.286 0.600 0.209 2.121     311.076     290.000       7.098    5 
-    210000       42000.00      36.243     -25.596      10.647   6.21 0.143 0.667 0.212 2.207     328.819     320.000       7.895    5 
-    220000       44000.00      42.034     -33.634       8.400   4.90 0.143 0.667 0.205 0.267     381.353     320.000       8.160    5 
-    230000       46000.00      34.714     -15.400      19.314   7.04 0.214 0.571 0.253 2.127     314.944     320.000       7.936    5 
-    240000       48000.00      37.664     -30.391       7.272   7.25 0.357 0.444 0.167 2.895     341.704     320.000       7.821    5 
-    250000       50000.00      29.265     -39.471     -10.206   5.44 0.143 0.750 0.284 1.261     265.510     320.000       6.944    5 
-    260000       52000.00      37.041     -30.146       6.894   6.05 0.214 0.700 0.305 2.225     336.051     320.000       6.937    5 
-    270000       54000.00      40.104     -43.812      -3.709   5.49 0.643 0.500 0.341 0.824     363.840     320.000       6.858    5 
-    280000       56000.00      39.917     -41.972      -2.055   5.02 0.000 1.000 0.285 2.374     362.145     320.000       7.093    5 
-    290000       58000.00      30.024     -28.022       2.003   4.77 0.357 0.545 0.331 2.176     272.396     320.000       6.882    5 
-    300000       60000.00      34.509     -26.419       8.090   5.86 0.143 0.750 0.267 1.980     313.080     320.000       7.630    5 
-    310000       62000.00      34.229     -40.983      -6.754   4.90 0.071 0.875 0.239 1.475     310.543     310.000       7.706    5 
-    320000       64000.00      34.051     -39.723      -5.672   4.33 0.286 0.500 0.153 1.143     308.924     310.000       8.128    5 
-    330000       66000.00      31.404     -48.924     -17.520   4.38 0.429 0.538 0.206 1.627     284.913     310.000       7.198    5 
-    340000       68000.00      36.740     -41.409      -4.668   4.44 0.357 0.615 0.294 2.001     333.326     310.000       6.774    5 
-    350000       70000.00      39.823     -49.977     -10.154   5.06 0.214 0.786 0.331 1.124     361.298     310.000       6.609    5 
-    360000       72000.00      40.978     -32.029       8.949   5.35 0.143 0.833 0.303 1.702     371.771     310.000       6.540    5 
-    370000       74000.00      35.769     -42.488      -6.719   5.32 0.214 0.750 0.417 2.714     324.512     310.000       7.278    5 
-    380000       76000.00      32.577     -33.871      -1.294   5.22 0.143 0.846 0.353 1.028     295.558     310.000       6.806    5 
-    390000       78000.00      38.451     -48.290      -9.839   5.47 0.214 0.750 0.371 1.915     348.847     310.000       7.130    5 
-    400000       80000.00      31.632     -37.227      -5.595   6.18 0.214 0.727 0.368 2.352     286.982     310.000       7.098    5 
-    410000       82000.00      34.022     -35.563      -1.541   5.33 0.286 0.636 0.310 2.111     308.665     300.000       7.066    5 
-    420000       84000.00      33.624     -48.528     -14.904   4.40 0.286 0.714 0.344 2.517     305.057     300.000       6.967    5 
-    430000       86000.00      34.069     -41.483      -7.415   4.99 0.214 0.727 0.314 1.574     309.087     300.000       6.808    5 
-    440000       88000.00      36.317     -44.740      -8.423   5.31 0.357 0.583 0.284 0.870     329.489     300.000       6.837    5 
-    450000       90000.00      29.345     -42.176     -12.831   5.95 0.143 0.778 0.308 1.666     266.229     300.000       7.151    5 
-    460000       92000.00      38.175     -39.964      -1.789   6.97 0.143 0.800 0.245 1.705     346.345     300.000       7.047    5 
-    470000       94000.00      28.511     -29.687      -1.176   6.44 0.143 0.818 0.260 1.469     258.671     300.000       7.562    5 
-    480000       96000.00      40.026     -55.065     -15.039   5.95 0.357 0.545 0.207 1.621     363.133     300.000       7.173    5 
-    490000       98000.00      36.653     -46.657     -10.005   6.00 0.286 0.667 0.208 1.408     332.532     300.000       7.551    5 
-    500000      100000.00      32.699     -40.466      -7.767   6.88 0.286 0.733 0.230 3.270     296.661     300.000       6.880    5 
-    510000      102000.00      31.065     -50.479     -19.414   6.35 0.357 0.667 0.218 1.802     281.837     290.000       7.303    5 
-    520000      104000.00      32.129     -46.562     -14.433   5.51 0.429 0.647 0.219 3.287     291.488     290.000       6.984    5 
-    530000      106000.00      34.918     -43.357      -8.439   6.26 0.286 0.733 0.215 2.284     316.797     290.000       7.338    5 
-    540000      108000.00      37.459     -37.261       0.199   7.23 0.286 0.714 0.218 0.529     339.850     290.000       7.420    5 
-    550000      110000.00      29.074     -50.626     -21.552   5.59 0.286 0.692 0.227 2.321     263.774     290.000       7.087    5 
-    560000      112000.00      31.955     -56.532     -24.578   6.82 0.286 0.733 0.200 1.007     289.909     290.000       7.372    5 
-    570000      114000.00      29.697     -46.923     -17.226   5.85 0.357 0.583 0.212 2.619     269.424     290.000       7.495    5 
-    580000      116000.00      32.753     -45.543     -12.790   6.66 0.286 0.667 0.201 1.793     297.155     290.000       7.674    5 
-    590000      118000.00      36.467     -43.742      -7.275   4.43 0.214 0.667 0.197 1.624     330.845     290.000       7.410    5 
-    600000      120000.00      26.042     -32.028      -5.986   5.31 0.286 0.600 0.182 1.457     236.268     290.000       8.050    5 
-    610000      122000.00      40.251     -45.757      -5.506   6.32 0.357 0.643 0.211 2.064     365.177     290.000       7.471    5 
-    620000      124000.00      40.603     -40.559       0.044   6.79 0.214 0.700 0.214 2.029     368.371     290.000       7.370    5 
-    630000      126000.00      32.027     -35.561      -3.534   5.75 0.357 0.545 0.178 2.099     290.566     290.000       8.468    5 
-    640000      128000.00      48.616     -34.198      14.418   4.24 0.286 0.500 0.188 3.581     441.070     290.000       8.288    5 
-    650000      130000.00      40.523     -45.463      -4.940   3.77 0.286 0.733 0.330 2.809     367.642     290.000       6.864    5 
-    660000      132000.00      32.835     -49.769     -16.933   3.46 0.286 0.692 0.287 2.514     297.899     290.000       6.716    5 
-    670000      134000.00      34.100     -39.031      -4.931   4.35 0.357 0.500 0.173 2.071     309.371     290.000       8.463    5 
-    680000      136000.00      31.879     -51.610     -19.732   3.03 0.286 0.692 0.248 1.832     289.220     290.000       6.986    5 
-    690000      138000.00      34.953     -44.081      -9.129   3.37 0.214 0.812 0.310 1.477     317.108     290.000       6.524    5 
-    700000      140000.00      33.231     -36.105      -2.874   3.66 0.214 0.667 0.212 2.277     301.490     290.000       7.435    5 
-    710000      142000.00      39.406     -48.366      -8.960   4.70 0.286 0.778 0.343 3.286     357.510     280.000       6.637    5 
-    720000      144000.00      32.343     -48.476     -16.133   4.20 0.286 0.733 0.264 1.071     293.434     280.000       6.814    5 
-    730000      146000.00      33.169     -42.966      -9.797   3.34 0.214 0.812 0.278 1.307     300.930     280.000       6.391    5 
-    740000      148000.00      34.033     -36.603      -2.570   3.53 0.214 0.750 0.322 3.692     308.761     280.000       6.716    5 
-    750000      150000.00      36.432     -42.417      -5.985   3.99 0.286 0.600 0.186 1.989     330.532     280.000       7.232    5 
-    760000      152000.00      31.882     -45.110     -13.228   2.19 0.571 0.385 0.259 1.875     289.248     280.000       7.006    5 
-    770000      154000.00      31.368     -53.373     -22.004   2.43 0.500 0.562 0.281 1.818     284.588     280.000       6.936    5 
-    780000      156000.00      29.343     -36.597      -7.254   3.01 0.286 0.667 0.170 1.984     266.211     280.000       7.303    5 
-    790000      158000.00      35.954     -46.506     -10.552   2.79 0.286 0.692 0.290 2.279     326.196     280.000       7.334    5 
-    800000      160000.00      31.706     -44.014     -12.308   2.37 0.571 0.385 0.227 2.053     287.652     280.000       6.774    5 
-    810000      162000.00      31.790     -50.819     -19.029   2.70 0.286 0.714 0.302 1.081     288.417     310.000       6.411    5 
-    820000      164000.00      34.197     -36.140      -1.943   2.48 0.357 0.500 0.300 1.591     310.252     310.000       6.655    5 
-    830000      166000.00      29.466     -49.771     -20.305   2.50 0.357 0.688 0.355 1.212     267.335     310.000       6.658    5 
-    840000      168000.00      35.978     -40.065      -4.087   1.93 0.571 0.385 0.294 1.240     326.414     310.000       6.941    5 
-    850000      170000.00      36.806     -42.476      -5.669   3.17 0.214 0.625 0.250 2.462     333.926     310.000       7.554    5 
-    860000      172000.00      36.869     -36.738       0.132   3.35 0.143 0.714 0.208 0.577     334.498     310.000       7.177    5 
-    870000      174000.00      33.830     -31.595       2.235   3.24 0.357 0.500 0.191 1.354     306.925     310.000       7.945    5 
-    880000      176000.00      39.529     -39.547      -0.019   4.95 0.214 0.571 0.156 1.540     358.623     310.000       8.564    5 
-    890000      178000.00      36.174     -39.667      -3.493   5.14 0.214 0.786 0.211 1.702     328.187     310.000       7.485    5 
-    900000      180000.00      30.260     -36.295      -6.035   6.16 0.143 0.750 0.205 2.090     274.532     310.000       8.437    5 
-    910000      182000.00      35.060     -32.911       2.148   6.82 0.071 0.800 0.209 1.277     318.079     300.000       9.173    5 
-    920000      184000.00      31.959     -42.542     -10.583   5.41 0.214 0.786 0.253 2.819     289.948     300.000       7.246    5 
-    930000      186000.00      54.824     -39.645      15.178   5.98 0.214 0.800 0.258 4.247     497.389     300.000       6.926    5 
-    940000      188000.00      34.717     -31.198       3.519   7.97 0.143 0.667 0.152 1.328     314.974     300.000      10.937    5 
-    950000      190000.00      27.869     -38.668     -10.799   4.98 0.286 0.600 0.200 1.361     252.838     300.000       7.707    5 
-    960000      192000.00      40.301     -44.176      -3.874   2.53 0.286 0.636 0.285 2.263     365.636     300.000       6.688    5 
-    970000      194000.00      32.284     -42.170      -9.885   4.01 0.357 0.615 0.329 2.100     292.898     300.000       6.543    5 
-    980000      196000.00      31.593     -45.702     -14.109   2.33 0.286 0.692 0.297 1.372     286.629     300.000       6.590    5 
-    990000      198000.00      41.147     -30.000      11.146   2.84 0.286 0.636 0.289 3.385     373.303     300.000       6.600    5 
-   1000000      200000.00      40.565     -48.000      -7.435   1.85 0.357 0.643 0.308 2.860     368.023     300.000       6.656    5 
+         0           0.00      34.855      24.828      59.683  12.87 0.000   NaN   NaN 0.708     316.222     300.000      15.552    5 
+     10000        2000.00      37.229     -14.431      22.798  10.76 0.071 0.500 0.182 1.870     337.760     300.000      14.423    5 
+     20000        4000.00      33.284     -12.578      20.705  10.45 0.000 1.000 0.167 3.076     301.966     300.000      12.935    5 
+     30000        6000.00      29.731     -25.213       4.518   9.43 0.214 0.250 0.159 0.952     269.736     300.000      11.742    5 
+     40000        8000.00      32.988     -31.991       0.997   6.93 0.214 0.625 0.216 2.329     299.288     300.000       8.242    5 
+     50000       10000.00      32.354     -19.325      13.029   6.48 0.214 0.625 0.182 1.196     293.532     300.000       8.283    5 
+     60000       12000.00      34.445     -29.960       4.485   4.46 0.214 0.700 0.205 2.334     312.505     300.000       7.363    5 
+     70000       14000.00      26.509     -34.885      -8.377   3.15 0.286 0.636 0.347 1.279     240.500     300.000       6.939    5 
+     80000       16000.00      40.230     -46.118      -5.888   2.38 0.357 0.444 0.389 0.767     364.986     300.000       7.228    5 
+     90000       18000.00      32.944     -47.421     -14.476   3.20 0.429 0.600 0.321 1.088     298.886     300.000       6.669    5 
+    100000       20000.00      34.355     -34.050       0.305   3.44 0.286 0.500 0.369 2.550     311.691     300.000       6.888    5 
+    110000       22000.00      34.585     -34.223       0.362   4.62 0.286 0.667 0.386 0.754     313.775     300.000       6.692    5 
+    120000       24000.00      32.363     -40.327      -7.964   3.04 0.286 0.733 0.348 2.351     293.612     300.000       6.856    5 
+    130000       26000.00      40.421     -37.078       3.343   3.77 0.286 0.692 0.336 1.690     366.722     300.000       7.133    5 
+    140000       28000.00      27.001     -34.797      -7.796   3.74 0.357 0.667 0.327 1.434     244.970     300.000       7.086    5 
+    150000       30000.00      35.803     -44.517      -8.714   3.36 0.571 0.467 0.339 1.247     324.826     300.000       6.604    5 
+    160000       32000.00      35.425     -37.215      -1.790   3.89 0.214 0.833 0.409 2.842     321.394     300.000       6.463    5 
+    170000       34000.00      38.000     -33.987       4.013   3.01 0.286 0.733 0.352 2.055     344.760     300.000       6.786    5 
+    180000       36000.00      36.794     -40.135      -3.341   2.51 0.500 0.500 0.263 1.218     333.813     300.000       7.043    5 
+    190000       38000.00      35.167     -34.889       0.278   3.40 0.286 0.636 0.331 1.776     319.051     300.000       6.983    5 
+    200000       40000.00      31.441     -37.405      -5.964   3.37 0.214 0.786 0.299 1.823     285.249     300.000       7.451    5 
+    210000       42000.00      30.335     -42.272     -11.937   3.32 0.571 0.467 0.352 1.221     275.214     290.000       6.378    5 
+    220000       44000.00      33.272     -49.077     -15.805   3.59 0.357 0.667 0.339 1.503     301.865     290.000       6.618    5 
+    230000       46000.00      32.457     -13.934      18.523   3.28 0.214 0.625 0.267 2.589     294.466     290.000       6.697    5 
+    240000       48000.00      30.017     -38.795      -8.778   3.01 0.357 0.615 0.308 1.383     272.326     290.000       7.037    5 
+    250000       50000.00      30.780     -49.880     -19.100   3.48 0.357 0.615 0.392 1.121     279.249     290.000       6.823    5 
+    260000       52000.00      38.113     -44.805      -6.692   2.75 0.643 0.357 0.328 1.937     345.779     290.000       6.681    5 
+    270000       54000.00      31.811     -42.193     -10.382   2.95 0.500 0.500 0.302 0.870     288.605     290.000       6.583    5 
+    280000       56000.00      32.554     -45.175     -12.621   3.46 0.357 0.688 0.364 1.896     295.349     290.000       6.321    5 
+    290000       58000.00      28.218     -30.594      -2.377   3.22 0.286 0.733 0.385 2.386     256.004     290.000       6.819    5 
+    300000       60000.00      37.252     -37.781      -0.530   3.81 0.429 0.500 0.273 1.897     337.966     290.000       6.680    5 
+    310000       62000.00      35.509     -41.223      -5.714   3.66 0.214 0.700 0.305 1.264     322.159     280.000       6.766    5 
+    320000       64000.00      48.710     -37.734      10.977   3.99 0.286 0.667 0.261 2.012     441.926     280.000       6.885    5 
+    330000       66000.00      41.239     -45.376      -4.137   7.05 0.357 0.667 0.215 3.126     374.142     280.000       7.346    5 
+    340000       68000.00      34.590     -33.884       0.706   7.20 0.214 0.750 0.235 1.893     313.815     280.000       7.189    5 
+    350000       70000.00      34.852     -47.297     -12.444   6.92 0.214 0.769 0.248 1.018     316.197     280.000       6.988    5 
+    360000       72000.00      38.230     -44.778      -6.548   7.16 0.143 0.867 0.270 1.421     346.846     280.000       7.030    5 
+    370000       74000.00      35.133     -44.764      -9.631   6.60 0.143 0.846 0.255 2.099     318.749     280.000       7.478    5 
+    380000       76000.00      43.863     -42.888       0.975   4.86 0.286 0.733 0.358 2.015     397.948     280.000       6.570    5 
+    390000       78000.00      23.803     -40.965     -17.162   5.24 0.429 0.600 0.318 2.116     215.954     280.000       6.480    5 
+    400000       80000.00      35.826     -43.258      -7.432   5.04 0.357 0.643 0.364 2.766     325.032     280.000       6.762    5 
+    410000       82000.00      27.571     -38.582     -11.011   5.31 0.357 0.688 0.352 0.835     250.140     270.000       6.601    5 
+    420000       84000.00      27.004     -33.890      -6.886   4.63 0.357 0.615 0.329 1.758     244.995     270.000       6.708    5 
+    430000       86000.00      35.631     -46.253     -10.622   5.36 0.286 0.765 0.326 1.510     323.262     270.000       6.765    5 
+    440000       88000.00      33.325     -38.183      -4.858   5.56 0.214 0.700 0.359 2.030     302.338     270.000       6.836    5 
+    450000       90000.00      29.686     -42.716     -13.030   5.23 0.286 0.556 0.283 1.326     269.329     270.000       6.583    5 
+    460000       92000.00      29.629     -39.585      -9.956   5.37 0.214 0.727 0.322 1.472     268.809     270.000       6.714    5 
+    470000       94000.00      35.279     -43.137      -7.858   4.63 0.286 0.600 0.273 2.059     320.066     270.000       7.298    5 
+    480000       96000.00      26.238     -46.524     -20.286   5.45 0.286 0.733 0.294 1.879     238.046     270.000       6.592    5 
+    490000       98000.00      31.511     -54.186     -22.675   5.78 0.357 0.667 0.273 0.984     285.880     270.000       6.511    5 
+    500000      100000.00      31.870     -49.051     -17.182   6.57 0.286 0.714 0.240 1.439     289.137     270.000       7.036    5 
+    510000      102000.00      31.523     -52.160     -20.638   7.12 0.143 0.867 0.233 1.059     285.989     260.000       6.818    5 
+    520000      104000.00      30.384     -61.676     -31.293   6.64 0.214 0.800 0.255 0.931     275.657     260.000       6.887    5 
+    530000      106000.00      35.202     -49.386     -14.184   6.90 0.214 0.769 0.234 1.241     319.369     260.000       7.151    5 
+    540000      108000.00      33.495     -58.456     -24.961   7.01 0.286 0.714 0.211 0.852     303.885     260.000       7.246    5 
+    550000      110000.00      27.145     -59.907     -32.762   7.01 0.214 0.824 0.267 2.039     246.270     260.000       6.975    5 
+    560000      112000.00      38.850     -51.818     -12.967   6.92 0.143 0.882 0.262 1.674     352.471     260.000       6.864    5 
+    570000      114000.00      36.742     -48.695     -11.953   6.89 0.357 0.706 0.235 1.333     333.342     260.000       6.802    5 
+    580000      116000.00      21.617     -47.666     -26.049   6.69 0.357 0.722 0.240 1.375     196.122     260.000       6.956    5 
+    590000      118000.00      30.219     -52.798     -22.579   6.81 0.214 0.800 0.255 1.142     274.164     260.000       7.067    5 
+    600000      120000.00      33.967     -54.417     -20.449   7.04 0.214 0.769 0.234 1.713     308.167     260.000       7.215    5 
+    610000      122000.00      31.968     -60.297     -28.329   7.15 0.214 0.824 0.267 1.993     290.028     260.000       6.952    5 
+    620000      124000.00      31.030     -48.073     -17.043   7.02 0.286 0.714 0.214 2.312     281.524     260.000       7.097    5 
+    630000      126000.00      28.478     -52.432     -23.954   6.41 0.214 0.750 0.231 3.329     258.366     260.000       7.196    5 
+    640000      128000.00      25.869     -55.510     -29.641   5.95 0.286 0.778 0.265 0.940     234.696     260.000       6.955    5 
+    650000      130000.00      30.752     -37.076      -6.323   7.22 0.143 0.857 0.273 0.241     278.999     260.000       7.171    5 
+    660000      132000.00      26.563     -52.988     -26.426   6.93 0.143 0.867 0.242 0.896     240.990     260.000       6.827    5 
+    670000      134000.00      21.214     -46.334     -25.120   7.00 0.143 0.875 0.259 1.570     192.467     260.000       7.173    5 
+    680000      136000.00      33.567     -63.115     -29.548   6.55 0.143 0.857 0.253 1.734     304.541     260.000       7.189    5 
+    690000      138000.00      21.286     -44.017     -22.732   5.71 0.143 0.867 0.227 1.061     193.114     260.000       6.980    5 
+    700000      140000.00      33.959     -47.220     -13.261   6.97 0.286 0.636 0.219 1.421     308.093     260.000       7.267    5 
+    710000      142000.00      33.569     -50.112     -16.543   7.03 0.214 0.800 0.270 2.829     304.551     270.000       6.953    5 
+    720000      144000.00      32.905     -49.875     -16.970   6.94 0.286 0.714 0.221 1.961     298.530     270.000       7.082    5 
+    730000      146000.00      32.584     -44.708     -12.124   5.96 0.214 0.786 0.231 2.234     295.619     270.000       6.845    5 
+    740000      148000.00      29.868     -44.547     -14.680   6.90 0.143 0.846 0.252 1.027     270.973     270.000       7.150    5 
+    750000      150000.00      36.738     -35.985       0.753   6.35 0.143 0.833 0.254 3.279     333.305     270.000       6.729    5 
+    760000      152000.00      34.113     -43.725      -9.613   7.21 0.143 0.867 0.248 2.649     309.488     270.000       7.157    5 
+    770000      154000.00      24.628     -49.118     -24.490   5.81 0.214 0.786 0.295 0.940     223.441     270.000       6.749    5 
+    780000      156000.00      29.814     -50.303     -20.489   6.29 0.214 0.824 0.259 1.949     270.486     270.000       6.950    5 
+    790000      158000.00      26.453     -42.132     -15.679   7.02 0.143 0.846 0.262 1.247     239.994     270.000       7.176    5 
+    800000      160000.00      29.564     -47.146     -17.582   3.12 0.286 0.692 0.280 1.290     268.219     270.000       6.822    5 
+    810000      162000.00      29.043     -52.426     -23.383   2.88 0.429 0.571 0.305 1.950     263.494     270.000       6.403    5 
+    820000      164000.00      31.222     -60.627     -29.404   3.14 0.357 0.750 0.348 2.597     283.266     270.000       6.585    5 
+    830000      166000.00      30.025     -53.028     -23.003   3.43 0.286 0.750 0.358 1.064     272.399     270.000       6.611    5 
+    840000      168000.00      30.565     -50.659     -20.094   3.16 0.429 0.647 0.350 1.442     277.302     270.000       6.627    5 
+    850000      170000.00      27.584     -44.011     -16.427   2.87 0.429 0.455 0.174 1.747     250.256     270.000       7.138    5 
+    860000      172000.00      48.294     -42.829       5.465   3.74 0.286 0.600 0.336 2.164     438.150     270.000       6.711    5 
+    870000      174000.00      27.198     -43.834     -16.636   4.01 0.286 0.714 0.276 1.978     246.755     270.000       6.991    5 
+    880000      176000.00      26.453     -38.137     -11.684   3.79 0.214 0.667 0.197 2.399     239.995     270.000       7.237    5 
+    890000      178000.00      37.202     -54.431     -17.229   3.24 0.429 0.500 0.299 4.044     337.515     270.000       6.702    5 
+    900000      180000.00      41.308     -45.103      -3.795   3.24 0.429 0.500 0.333 1.163     374.769     270.000       6.642    5 
+    910000      182000.00      26.508     -56.032     -29.524   3.92 0.429 0.647 0.249 1.607     240.490     260.000       6.524    5 
+    920000      184000.00      31.245     -49.356     -18.111   3.13 0.429 0.647 0.259 1.873     283.473     260.000       6.700    5 
+    930000      186000.00      27.837     -53.759     -25.922   2.38 0.357 0.500 0.205 1.285     252.553     260.000       7.014    5 
+    940000      188000.00      26.742     -53.716     -26.974   3.30 0.357 0.688 0.222 2.014     242.617     260.000       6.826    5 
+    950000      190000.00      30.214     -55.187     -24.973   2.70 0.500 0.562 0.233 1.203     274.120     260.000       6.899    5 
+    960000      192000.00      34.596     -55.255     -20.659   2.97 0.571 0.467 0.285 1.177     313.870     260.000       6.246    5 
+    970000      194000.00      33.070     -48.749     -15.679   3.04 0.357 0.615 0.301 2.575     300.024     260.000       6.428    5 
+    980000      196000.00      35.478     -59.090     -23.612   2.85 0.429 0.647 0.281 2.778     321.873     260.000       6.553    5 
+    990000      198000.00      25.395     -46.560     -21.165   3.49 0.429 0.538 0.245 1.051     230.395     260.000       6.789    5 
+   1000000      200000.00      27.023     -48.833     -21.811   3.16 0.286 0.556 0.328 1.080     245.162     260.000       6.713    5 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB006.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB006.stat
index 1066d00..7329510 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB006.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB006.stat
@@ -1,101 +1,101 @@
-         0           0.00      40.288      21.156      61.445  12.87 0.000   NaN   NaN 0.935     365.517     310.000      15.552    6 
-     10000        2000.00      43.441      -1.097      42.344   8.64 0.071 0.667 0.152 3.475     394.123     310.000      12.285    6 
-     20000        4000.00      34.367      -5.854      28.513   7.43 0.000   NaN   NaN 1.056     311.797     310.000      12.085    6 
-     30000        6000.00      28.441     -28.891      -0.451   6.61 0.071 0.667 0.197 1.286     258.028     310.000      10.531    6 
-     40000        8000.00      35.172     -31.477       3.695   9.84 0.214 0.400 0.164 1.713     319.102     310.000      13.264    6 
-     50000       10000.00      40.986     -32.781       8.206   8.22 0.286 0.429 0.169 2.211     371.850     310.000      11.889    6 
-     60000       12000.00      41.668     -21.266      20.402   6.96 0.143 0.600 0.164 2.255     378.033     310.000      10.155    6 
-     70000       14000.00      31.605     -32.189      -0.584   6.07 0.286 0.333 0.182 1.714     286.734     310.000       9.687    6 
-     80000       16000.00      45.184     -16.343      28.841   4.71 0.071 0.875 0.324 4.125     409.931     310.000       6.938    6 
-     90000       18000.00      39.025     -47.669      -8.644   4.58 0.286 0.714 0.370 3.449     354.054     310.000       6.904    6 
-    100000       20000.00      39.344     -47.794      -8.450   4.76 0.286 0.750 0.298 2.163     356.947     310.000       6.629    6 
-    110000       22000.00      36.171     -35.276       0.894   4.73 0.286 0.692 0.322 0.763     328.159     300.000       6.960    6 
-    120000       24000.00      37.398     -40.319      -2.921   4.46 0.286 0.778 0.343 0.946     339.296     300.000       6.557    6 
-    130000       26000.00      42.085     -39.299       2.786   4.24 0.214 0.727 0.351 1.701     381.816     300.000       7.238    6 
-    140000       28000.00      33.473     -40.792      -7.319   4.25 0.214 0.800 0.336 1.891     303.683     300.000       7.160    6 
-    150000       30000.00      43.965     -46.135      -2.170   4.77 0.214 0.750 0.379 1.882     398.877     300.000       6.953    6 
-    160000       32000.00      31.627     -38.624      -6.996   5.05 0.286 0.714 0.357 1.251     286.939     300.000       6.862    6 
-    170000       34000.00      37.892     -41.416      -3.524   4.57 0.286 0.714 0.331 4.048     343.775     300.000       6.875    6 
-    180000       36000.00      37.004     -45.852      -8.848   4.64 0.143 0.846 0.364 2.502     335.723     300.000       6.828    6 
-    190000       38000.00      34.043     -38.076      -4.032   4.71 0.143 0.833 0.405 0.912     308.859     300.000       6.906    6 
-    200000       40000.00      33.011     -46.312     -13.301   5.12 0.143 0.867 0.355 2.779     299.493     300.000       6.885    6 
-    210000       42000.00      33.724     -47.917     -14.193   5.42 0.214 0.800 0.439 1.954     305.963     290.000       6.706    6 
-    220000       44000.00      31.704     -49.941     -18.237   5.52 0.429 0.647 0.337 3.235     287.631     290.000       7.218    6 
-    230000       46000.00      31.939     -50.895     -18.955   5.46 0.286 0.733 0.348 2.333     289.772     290.000       6.607    6 
-    240000       48000.00      30.994     -50.113     -19.120   5.22 0.143 0.818 0.368 4.292     281.190     290.000       7.025    6 
-    250000       50000.00      31.096     -42.911     -11.815   5.26 0.286 0.714 0.347 1.402     282.115     290.000       6.929    6 
-    260000       52000.00      31.703     -38.241      -6.538   4.53 0.143 0.800 0.400 2.233     287.627     290.000       7.773    6 
-    270000       54000.00      40.341     -36.192       4.149   5.00 0.214 0.700 0.291 1.853     365.998     290.000       7.682    6 
-    280000       56000.00      36.916     -51.348     -14.431   4.82 0.071 0.929 0.419 1.257     334.922     290.000       7.350    6 
-    290000       58000.00      28.579     -48.226     -19.646   4.68 0.286 0.714 0.325 1.624     259.286     290.000       7.127    6 
-    300000       60000.00      37.949     -45.776      -7.827   4.80 0.214 0.700 0.377 1.075     344.291     290.000       7.303    6 
-    310000       62000.00      34.291     -40.385      -6.094   6.20 0.214 0.786 0.364 1.930     311.110     280.000       6.976    6 
-    320000       64000.00      36.716     -37.618      -0.902   5.17 0.214 0.769 0.437 3.604     333.106     280.000       7.233    6 
-    330000       66000.00      32.404     -48.841     -16.437   5.21 0.214 0.786 0.422 1.700     293.984     280.000       7.443    6 
-    340000       68000.00      31.213     -48.332     -17.119   5.39 0.286 0.733 0.403 2.380     283.183     280.000       7.565    6 
-    350000       70000.00      28.310     -38.444     -10.134   4.54 0.286 0.636 0.335 1.804     256.842     280.000       7.387    6 
-    360000       72000.00      35.735     -39.641      -3.906   5.95 0.143 0.867 0.482 2.233     324.207     280.000       7.322    6 
-    370000       74000.00      27.712     -53.877     -26.165   4.76 0.286 0.714 0.377 1.633     251.416     280.000       7.092    6 
-    380000       76000.00      36.648     -41.689      -5.041   4.65 0.429 0.500 0.311 2.468     332.487     280.000       7.295    6 
-    390000       78000.00      32.628     -45.398     -12.770   4.72 0.286 0.600 0.282 1.748     296.021     280.000       7.686    6 
-    400000       80000.00      30.447     -52.035     -21.587   5.06 0.214 0.769 0.339 1.857     276.234     280.000       7.313    6 
-    410000       82000.00      33.269     -49.414     -16.146   5.15 0.214 0.727 0.388 1.169     301.830     290.000       7.324    6 
-    420000       84000.00      27.703     -58.758     -31.055   4.86 0.143 0.857 0.331 1.737     251.339     290.000       7.213    6 
-    430000       86000.00      41.319     -40.648       0.671   5.50 0.214 0.727 0.438 1.305     374.867     290.000       7.508    6 
-    440000       88000.00      29.440     -32.062      -2.622   5.04 0.214 0.824 0.302 2.443     267.093     290.000       6.783    6 
-    450000       90000.00      39.042     -31.864       7.178   4.89 0.000 1.000 0.424 2.904     354.212     290.000       7.073    6 
-    460000       92000.00      34.832     -46.139     -11.307   5.40 0.143 0.800 0.409 1.347     316.011     290.000       7.264    6 
-    470000       94000.00      33.288     -53.798     -20.510   5.46 0.143 0.833 0.379 3.790     302.010     290.000       7.093    6 
-    480000       96000.00      26.394     -48.610     -22.216   5.31 0.286 0.750 0.375 2.289     239.456     290.000       7.177    6 
-    490000       98000.00      29.664     -42.835     -13.171   4.69 0.143 0.857 0.390 2.869     269.129     290.000       7.227    6 
-    500000      100000.00      26.134     -45.648     -19.514   5.38 0.286 0.692 0.353 1.416     237.099     290.000       7.084    6 
-    510000      102000.00      32.490     -46.456     -13.966   5.52 0.429 0.700 0.314 1.640     294.762     300.000       6.646    6 
-    520000      104000.00      32.478     -42.761     -10.284   5.77 0.357 0.706 0.350 2.065     294.654     300.000       6.885    6 
-    530000      106000.00      30.672     -36.190      -5.518   5.19 0.286 0.765 0.318 1.708     278.274     300.000       6.881    6 
-    540000      108000.00      25.770     -43.126     -17.355   4.61 0.357 0.688 0.364 2.370     233.803     300.000       6.813    6 
-    550000      110000.00      38.039     -48.508     -10.470   4.41 0.214 0.824 0.342 1.368     345.106     300.000       6.629    6 
-    560000      112000.00      32.945     -36.218      -3.273   4.56 0.214 0.824 0.396 1.936     298.893     300.000       6.820    6 
-    570000      114000.00      34.239     -39.859      -5.620   4.87 0.071 0.923 0.343 2.902     310.632     300.000       6.733    6 
-    580000      116000.00      35.367     -27.046       8.320   4.96 0.357 0.545 0.347 2.153     320.864     300.000       7.057    6 
-    590000      118000.00      38.001     -27.826      10.175   5.39 0.214 0.727 0.298 1.972     344.766     300.000       7.603    6 
-    600000      120000.00      30.329     -26.291       4.038   4.50 0.143 0.667 0.341 1.252     275.156     300.000       7.760    6 
-    610000      122000.00      33.452     -26.425       7.026   4.73 0.214 0.667 0.278 2.257     303.490     330.000       7.643    6 
-    620000      124000.00      33.049     -19.957      13.092   4.76 0.143 0.818 0.264 3.117     299.839     330.000       7.197    6 
-    630000      126000.00      34.675     -22.669      12.005   4.42 0.143 0.818 0.347 1.641     314.587     330.000       7.266    6 
-    640000      128000.00      44.725     -18.092      26.633   6.49 0.071 0.750 0.239 1.389     405.768     330.000       7.415    6 
-    650000      130000.00      38.251     -26.731      11.520   6.42 0.214 0.700 0.327 1.115     347.030     330.000       7.142    6 
-    660000      132000.00      33.135     -31.169       1.965   6.37 0.286 0.600 0.300 1.926     300.614     330.000       6.928    6 
-    670000      134000.00      37.658     -25.615      12.044   6.17 0.214 0.625 0.250 1.692     341.654     330.000       6.987    6 
-    680000      136000.00      44.527     -25.719      18.808   6.04 0.143 0.800 0.382 1.783     403.973     330.000       7.103    6 
-    690000      138000.00      33.591     -25.661       7.930   5.69 0.143 0.800 0.455 2.124     304.752     330.000       6.976    6 
-    700000      140000.00      34.450     -32.437       2.013   6.06 0.071 0.833 0.371 1.121     312.545     330.000       7.348    6 
-    710000      142000.00      47.722     -35.388      12.334   6.32 0.214 0.769 0.343 1.491     432.959     320.000       6.818    6 
-    720000      144000.00      44.053     -28.948      15.104   5.55 0.143 0.818 0.277 2.154     399.668     320.000       6.967    6 
-    730000      146000.00      37.244     -35.728       1.516   5.73 0.143 0.714 0.351 1.943     337.896     320.000       7.503    6 
-    740000      148000.00      37.347     -50.427     -13.080   6.24 0.214 0.727 0.426 1.787     338.829     320.000       6.989    6 
-    750000      150000.00      37.537     -26.463      11.074   5.12 0.286 0.733 0.300 1.725     340.557     320.000       6.751    6 
-    760000      152000.00      41.955     -28.592      13.363   4.91 0.071 0.875 0.358 1.649     380.641     320.000       7.437    6 
-    770000      154000.00      38.646     -28.465      10.181   4.64 0.143 0.750 0.290 2.148     350.620     320.000       7.602    6 
-    780000      156000.00      30.031     -29.892       0.138   5.32 0.071 0.929 0.386 2.431     272.453     320.000       6.923    6 
-    790000      158000.00      42.472     -21.752      20.720   5.34 0.143 0.778 0.359 2.056     385.324     320.000       7.147    6 
-    800000      160000.00      27.823     -24.593       3.230   5.86 0.214 0.769 0.479 1.844     252.426     320.000       6.790    6 
-    810000      162000.00      41.947      -6.691      35.256   6.40 0.000 1.000 0.309 0.287     380.562     380.000       8.078    6 
-    820000      164000.00      42.811     -21.155      21.656   6.29 0.143 0.778 0.273 2.391     388.401     380.000       7.119    6 
-    830000      166000.00      40.805     -23.109      17.696   5.90 0.143 0.667 0.280 1.774     370.207     380.000       7.350    6 
-    840000      168000.00      35.550     -25.236      10.315   7.53 0.143 0.818 0.331 1.414     322.532     380.000       7.394    6 
-    850000      170000.00      42.526     -25.461      17.065   6.36 0.143 0.778 0.399 2.943     385.818     380.000       6.760    6 
-    860000      172000.00      41.549     -16.626      24.923   6.09 0.143 0.750 0.193 2.571     376.952     380.000       7.523    6 
-    870000      174000.00      43.443     -15.023      28.420   5.13 0.071 0.800 0.236 1.358     394.134     380.000       8.226    6 
-    880000      176000.00      47.872      -1.584      46.288   5.60 0.071 0.875 0.375 1.655     434.320     380.000       7.900    6 
-    890000      178000.00      31.643     -34.643      -3.000   6.69 0.071 0.833 0.417 2.158     287.081     380.000       7.119    6 
-    900000      180000.00      40.673     -30.043      10.630   5.96 0.214 0.625 0.398 1.755     369.002     380.000       7.188    6 
-    910000      182000.00      42.728      -5.250      37.478   7.12 0.000 1.000 0.205 2.388     387.655     370.000       9.598    6 
-    920000      184000.00      52.062      -8.054      44.008   6.69 0.071 0.800 0.327 1.582     472.335     370.000       7.538    6 
-    930000      186000.00      37.048      -0.203      36.845   6.41 0.000 1.000 0.455 1.461     336.119     370.000       8.263    6 
-    940000      188000.00      43.070       4.490      47.560   6.23 0.000 1.000 0.273 2.547     390.756     370.000       7.922    6 
-    950000      190000.00      42.727     -17.497      25.230   6.88 0.071 0.667 0.364 2.095     387.638     370.000       8.032    6 
-    960000      192000.00      45.441     -15.997      29.444   6.88 0.071 0.857 0.247 1.497     412.265     370.000       7.294    6 
-    970000      194000.00      48.143      -7.057      41.086   5.27 0.143 0.667 0.280 3.428     436.776     370.000       7.926    6 
-    980000      196000.00      38.507     -18.966      19.541   5.99 0.071 0.800 0.655 1.943     349.357     370.000       7.707    6 
-    990000      198000.00      33.249      -9.531      23.718   6.00 0.000 1.000 0.394 2.358     301.653     370.000       7.879    6 
-   1000000      200000.00      29.484      -5.125      24.359   5.78 0.071 0.857 0.383 2.114     267.496     370.000       7.207    6 
+         0           0.00      36.915      24.771      61.686  12.87 0.000   NaN   NaN 0.707     334.911     310.000      15.552    6 
+     10000        2000.00      37.872     -12.134      25.738  11.86 0.000 1.000 0.136 1.112     343.593     310.000      15.191    6 
+     20000        4000.00      35.547      -9.568      25.980  12.77 0.000   NaN   NaN 1.815     322.504     310.000      16.350    6 
+     30000        6000.00      32.094      -6.653      25.441  12.69 0.000   NaN   NaN 1.475     291.175     310.000      16.640    6 
+     40000        8000.00      50.809      -9.168      41.640  11.55 0.000   NaN   NaN 2.176     460.961     310.000      16.027    6 
+     50000       10000.00      34.612      -6.569      28.043  10.13 0.000   NaN   NaN 2.900     314.017     310.000      14.693    6 
+     60000       12000.00      38.773      -2.207      36.566   7.96 0.000 1.000 0.136 2.421     351.765     310.000      12.683    6 
+     70000       14000.00      40.339      -8.944      31.395   7.33 0.000   NaN   NaN 1.591     365.973     310.000      12.024    6 
+     80000       16000.00      37.603     -21.040      16.563   6.00 0.071 0.800 0.664 2.522     341.154     310.000       9.479    6 
+     90000       18000.00      38.130       3.892      42.022   6.16 0.000 1.000 0.670 1.854     345.936     310.000       8.687    6 
+    100000       20000.00      37.486      -7.935      29.550   5.81 0.143 0.833 0.443 1.758     340.089     310.000       9.234    6 
+    110000       22000.00      38.379     -14.961      23.418   5.84 0.071 0.750 0.568 1.814     348.198     310.000       8.506    6 
+    120000       24000.00      33.957     -13.537      20.420   5.30 0.143 0.600 0.491 1.742     308.073     310.000       8.237    6 
+    130000       26000.00      35.792     -16.543      19.249   5.13 0.071 0.750 0.375 1.916     324.726     310.000       9.172    6 
+    140000       28000.00      34.456     -20.864      13.593   5.14 0.214 0.625 0.483 1.210     312.607     310.000       8.239    6 
+    150000       30000.00      40.119     -22.700      17.418   4.65 0.143 0.714 0.409 1.026     363.976     310.000       8.102    6 
+    160000       32000.00      38.941     -14.456      24.485   5.05 0.214 0.000 0.182 3.347     353.292     310.000       8.969    6 
+    170000       34000.00      42.660     -23.368      19.292   4.85 0.357 0.583 0.420 0.909     387.033     310.000       7.129    6 
+    180000       36000.00      38.507     -30.898       7.609   4.14 0.286 0.636 0.335 3.155     349.355     310.000       7.206    6 
+    190000       38000.00      36.155     -22.763      13.393   4.67 0.286 0.636 0.479 1.331     328.020     310.000       7.291    6 
+    200000       40000.00      31.937     -23.776       8.161   4.82 0.357 0.583 0.383 1.947     289.745     310.000       7.614    6 
+    210000       42000.00      42.033     -10.089      31.944   5.10 0.000 1.000 0.545 1.727     381.341     340.000       7.905    6 
+    220000       44000.00      43.814      -0.838      42.975   4.98 0.071 0.750 0.580 3.681     397.499     340.000       7.550    6 
+    230000       46000.00      36.657     -11.864      24.794   4.70 0.071 0.750 0.352 1.053     332.575     340.000       8.154    6 
+    240000       48000.00      36.799     -32.760       4.039   3.25 0.143 0.714 0.318 0.934     333.861     340.000       7.462    6 
+    250000       50000.00      35.528     -14.837      20.691   3.42 0.143 0.714 0.318 2.168     322.328     340.000       7.915    6 
+    260000       52000.00      40.947     -17.758      23.189   3.69 0.214 0.625 0.403 2.000     371.491     340.000       7.683    6 
+    270000       54000.00      43.873     -16.313      27.560   4.89 0.071 0.800 0.455 1.993     398.040     340.000       7.454    6 
+    280000       56000.00      36.022     -20.682      15.340   4.89 0.143 0.600 0.473 1.669     326.811     340.000       7.931    6 
+    290000       58000.00      35.171     -18.157      17.015   5.79 0.143 0.600 0.291 1.335     319.092     340.000       7.730    6 
+    300000       60000.00      40.470       0.684      41.154   5.38 0.143 0.500 0.534 3.404     367.165     340.000       7.839    6 
+    310000       62000.00      37.453      -2.283      35.171   5.47 0.071 0.833 0.470 2.149     339.797     330.000       7.851    6 
+    320000       64000.00      36.633     -15.126      21.506   5.72 0.000 1.000 0.530 2.385     332.351     330.000       7.634    6 
+    330000       66000.00      44.426      -9.023      35.403   6.83 0.071 0.667 0.288 1.549     403.051     330.000       8.575    6 
+    340000       68000.00      43.171      -2.208      40.964   6.14 0.000 1.000 0.273 1.570     391.673     330.000       8.637    6 
+    350000       70000.00      45.386      -5.668      39.718   5.83 0.000 1.000 0.477 2.235     411.763     330.000       7.970    6 
+    360000       72000.00      36.822     -10.275      26.548   5.84 0.071 0.889 0.505 2.627     334.071     330.000       7.651    6 
+    370000       74000.00      41.456      -9.872      31.584   5.24 0.071 0.667 0.242 2.124     376.112     330.000       7.550    6 
+    380000       76000.00      31.655     -19.993      11.662   5.29 0.071 0.909 0.467 1.521     287.192     330.000       6.963    6 
+    390000       78000.00      41.284     -11.116      30.168   5.32 0.071 0.800 0.409 1.915     374.549     330.000       7.489    6 
+    400000       80000.00      44.765     -16.347      28.418   5.85 0.071 0.857 0.539 2.261     406.127     330.000       9.725    6 
+    410000       82000.00      47.568      -6.208      41.360   6.03 0.071 0.750 0.295 1.926     431.564     340.000       8.697    6 
+    420000       84000.00      34.100      -5.512      28.588   5.61 0.071 0.800 0.582 1.576     309.372     340.000       9.202    6 
+    430000       86000.00      45.492      -9.610      35.881   4.77 0.286 0.333 0.432 2.843     412.723     340.000       8.445    6 
+    440000       88000.00      45.936     -19.135      26.801   6.25 0.214 0.250 0.239 1.842     416.757     340.000       7.940    6 
+    450000       90000.00      34.496     -23.754      10.743   6.98 0.143 0.778 0.369 1.539     312.969     340.000       7.065    6 
+    460000       92000.00      42.446     -17.378      25.068   5.95 0.143 0.778 0.348 1.763     385.089     340.000       7.467    6 
+    470000       94000.00      38.706      -4.164      34.542   7.55 0.000 1.000 0.245 3.062     351.159     340.000       8.526    6 
+    480000       96000.00      41.072      -8.789      32.283   7.36 0.071 0.000 0.182 2.490     372.628     340.000      11.751    6 
+    490000       98000.00      42.312       2.058      44.370   7.39 0.071 0.667 0.197 3.212     383.877     340.000      10.927    6 
+    500000      100000.00      48.645      -6.983      41.661   7.05 0.071 0.667 0.242 2.699     441.331     340.000       7.883    6 
+    510000      102000.00      35.302     -17.380      17.922   7.17 0.143 0.667 0.265 1.868     320.277     330.000       8.288    6 
+    520000      104000.00      42.229     -18.586      23.643   7.32 0.071 0.500 0.136 1.419     383.119     330.000      11.556    6 
+    530000      106000.00      47.255      -4.152      43.103   7.59 0.071 0.000 0.136 3.066     428.720     330.000      11.691    6 
+    540000      108000.00      37.802      11.792      49.594   6.43 0.071 0.000 0.136 2.271     342.958     330.000      10.655    6 
+    550000      110000.00      51.018      -8.989      42.028   7.87 0.000 1.000 0.273 1.389     462.860     330.000      12.272    6 
+    560000      112000.00      38.627      -1.169      37.458   8.61 0.000 1.000 0.182 1.263     350.442     330.000      12.653    6 
+    570000      114000.00      39.168      -2.433      36.735   9.72 0.071 0.667 0.152 1.159     355.353     330.000      12.846    6 
+    580000      116000.00      29.177     -21.844       7.333   8.40 0.071 0.667 0.152 3.034     264.710     330.000      10.991    6 
+    590000      118000.00      34.145     -19.846      14.299   8.41 0.071 0.800 0.245 2.793     309.780     330.000      10.522    6 
+    600000      120000.00      46.905      -9.611      37.293   8.62 0.071 0.500 0.205 1.896     425.543     330.000      10.540    6 
+    610000      122000.00      61.735      -1.969      59.765   7.78 0.071 0.800 0.273 0.982     560.089     400.000      10.028    6 
+    620000      124000.00      37.095       2.316      39.412   6.67 0.071 0.000 0.182 1.879     336.548     400.000      10.099    6 
+    630000      126000.00      52.141      -7.778      44.362   6.62 0.000   NaN   NaN 1.649     473.049     400.000      11.731    6 
+    640000      128000.00      58.650       2.479      61.129   6.72 0.000 1.000 0.159 2.618     532.101     400.000      10.628    6 
+    650000      130000.00      45.457      -1.035      44.422   8.64 0.000 1.000 0.227 2.193     412.408     400.000      12.252    6 
+    660000      132000.00      37.277      18.291      55.568   6.67 0.071 0.000 0.136 1.865     338.193     400.000      10.904    6 
+    670000      134000.00      52.900      -1.899      51.001   8.52 0.143 0.000 0.159 2.472     479.937     400.000      12.524    6 
+    680000      136000.00      45.466       4.663      50.129  11.02 0.071 0.000 0.136 1.434     412.491     400.000      15.249    6 
+    690000      138000.00      42.201      -2.135      40.067   9.58 0.000   NaN   NaN 2.042     382.874     400.000      13.655    6 
+    700000      140000.00      39.984      -2.228      37.756   8.94 0.000 1.000 0.159 1.692     362.758     400.000      12.637    6 
+    710000      142000.00      39.432      -1.457      37.975   8.26 0.071 0.500 0.159 1.174     357.748     390.000      12.032    6 
+    720000      144000.00      42.515       0.750      43.265   8.15 0.000 1.000 0.227 1.752     385.718     390.000      10.378    6 
+    730000      146000.00      50.912     -12.601      38.311   9.18 0.071 0.500 0.227 1.340     461.899     390.000      11.569    6 
+    740000      148000.00      44.602       5.564      50.166   5.88 0.214 0.571 0.188 1.867     404.656     390.000       7.187    6 
+    750000      150000.00      75.005      15.892      90.897   5.93 0.000 1.000 0.273 3.012     680.482     390.000       8.668    6 
+    760000      152000.00      43.274      13.263      56.537   4.89 0.071 0.500 0.159 2.790     392.604     390.000      10.063    6 
+    770000      154000.00      45.555      13.656      59.210   6.22 0.000 1.000 0.591 2.689     413.294     390.000       7.700    6 
+    780000      156000.00      46.800      -8.979      37.821   6.37 0.143 0.778 0.379 1.393     424.592     390.000       7.003    6 
+    790000      158000.00      45.243      -1.453      43.790   6.65 0.071 0.800 0.609 5.405     410.468     390.000       7.689    6 
+    800000      160000.00      38.475      -1.649      36.826   5.63 0.071 0.500 0.273 1.262     349.067     390.000       9.212    6 
+    810000      162000.00      41.093      -8.963      32.130   4.24 0.071 0.750 0.455 2.943     372.814     380.000       7.593    6 
+    820000      164000.00      37.103     -15.882      21.221   5.18 0.071 0.750 0.239 1.359     336.622     380.000       8.359    6 
+    830000      166000.00      40.665       0.359      41.025   6.47 0.071 0.667 0.318 1.240     368.938     380.000       8.994    6 
+    840000      168000.00      46.103       0.169      46.273   5.71 0.071 0.000 0.182 2.268     418.271     380.000       8.934    6 
+    850000      170000.00      46.207       4.829      51.036   7.62 0.000   NaN   NaN 2.907     419.212     380.000      12.312    6 
+    860000      172000.00      44.499      15.692      60.191   8.44 0.071 0.000 0.136 4.123     403.718     380.000      12.232    6 
+    870000      174000.00      39.786      -6.466      33.320   5.68 0.143 0.750 0.455 2.585     360.956     380.000       8.325    6 
+    880000      176000.00      47.423      13.129      60.552   5.21 0.000 1.000 0.432 2.484     430.245     380.000       8.597    6 
+    890000      178000.00      52.141      -2.359      49.782   8.67 0.071 0.500 0.205 1.705     473.054     380.000      11.918    6 
+    900000      180000.00      43.492       3.798      47.290   7.76 0.214 0.000 0.152 2.327     394.581     380.000      10.472    6 
+    910000      182000.00      48.526      25.311      73.837   6.11 0.000   NaN   NaN 6.510     440.252     400.000      11.631    6 
+    920000      184000.00      48.348      10.998      59.346   9.06 0.000 1.000 0.182 1.952     438.637     400.000      11.856    6 
+    930000      186000.00      41.717      -9.292      32.424   6.27 0.071 0.500 0.159 2.164     378.475     400.000      11.236    6 
+    940000      188000.00      43.701      -3.160      40.542   5.22 0.071 0.500 0.250 2.503     396.482     400.000       9.777    6 
+    950000      190000.00      41.494      -6.161      35.333   5.92 0.071 0.750 0.295 3.106     376.451     400.000       9.324    6 
+    960000      192000.00      45.783      -4.276      41.506   5.27 0.000 1.000 0.409 1.881     415.364     400.000       9.840    6 
+    970000      194000.00      47.236      -0.838      46.398   6.13 0.000   NaN   NaN 1.363     428.553     400.000      11.077    6 
+    980000      196000.00      50.792       9.773      60.565   9.06 0.000 1.000 0.136 2.458     460.808     400.000      13.414    6 
+    990000      198000.00      45.841       6.507      52.348   8.17 0.000 1.000 0.159 2.395     415.895     400.000      11.511    6 
+   1000000      200000.00      53.555      -5.596      47.959   6.26 0.071 0.500 0.205 3.349     485.880     400.000      10.859    6 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB007.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB007.stat
index 73b29a0..353a8ff 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB007.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB007.stat
@@ -1,101 +1,101 @@
-         0           0.00      37.274      21.102      58.376  12.87 0.000   NaN   NaN 0.934     338.165     320.000      15.552    7 
-     10000        2000.00      43.329     -13.495      29.834  10.55 0.000   NaN   NaN 1.982     393.102     320.000      14.041    7 
-     20000        4000.00      40.572     -17.397      23.175   9.33 0.071 0.000 0.136 0.934     368.093     320.000      13.747    7 
-     30000        6000.00      37.069      -7.421      29.647   8.76 0.143 0.600 0.145 1.058     336.306     320.000      12.540    7 
-     40000        8000.00      40.317      -6.376      33.941   4.80 0.214 0.667 0.404 2.369     365.774     320.000       7.449    7 
-     50000       10000.00      36.722     -34.013       2.710   5.13 0.357 0.643 0.347 1.700     333.163     320.000       7.274    7 
-     60000       12000.00      43.734     -23.676      20.058   4.81 0.143 0.667 0.318 2.370     396.781     320.000       8.380    7 
-     70000       14000.00      30.850     -30.798       0.052   5.42 0.214 0.727 0.459 3.432     279.888     320.000       8.701    7 
-     80000       16000.00      37.395     -38.559      -1.164   5.39 0.357 0.444 0.343 1.551     339.265     320.000       7.346    7 
-     90000       18000.00      35.994     -30.908       5.086   5.35 0.214 0.700 0.364 1.553     326.558     320.000       7.591    7 
-    100000       20000.00      41.401     -31.293      10.108   4.36 0.214 0.727 0.289 1.423     375.608     320.000       7.521    7 
-    110000       22000.00      47.609     -32.058      15.550   4.72 0.143 0.800 0.305 2.694     431.930     310.000       7.033    7 
-    120000       24000.00      37.037     -28.673       8.365   4.95 0.214 0.727 0.244 2.357     336.023     310.000       6.948    7 
-    130000       26000.00      34.669     -35.406      -0.737   5.42 0.143 0.800 0.327 2.604     314.537     310.000       6.849    7 
-    140000       28000.00      37.661     -29.073       8.588   5.56 0.143 0.778 0.338 1.964     341.681     310.000       6.892    7 
-    150000       30000.00      30.440     -40.310      -9.870   4.98 0.214 0.750 0.394 1.162     276.171     310.000       6.950    7 
-    160000       32000.00      42.556     -40.304       2.252   6.08 0.286 0.429 0.279 1.604     386.087     310.000       6.926    7 
-    170000       34000.00      39.781     -46.668      -6.888   5.83 0.143 0.857 0.351 1.899     360.911     310.000       6.651    7 
-    180000       36000.00      33.745     -37.771      -4.025   5.90 0.286 0.733 0.391 1.292     306.155     310.000       6.754    7 
-    190000       38000.00      41.588     -43.681      -2.094   6.18 0.214 0.750 0.303 1.074     377.305     310.000       6.879    7 
-    200000       40000.00      37.594     -44.798      -7.204   5.92 0.286 0.692 0.322 1.666     341.075     310.000       6.784    7 
-    210000       42000.00      41.888     -44.184      -2.296   6.00 0.286 0.714 0.406 2.711     380.029     300.000       6.655    7 
-    220000       44000.00      32.552     -33.112      -0.560   5.78 0.214 0.750 0.371 1.445     295.330     300.000       6.849    7 
-    230000       46000.00      30.955     -35.068      -4.114   6.23 0.143 0.846 0.283 1.420     280.836     300.000       6.579    7 
-    240000       48000.00      36.131     -39.664      -3.533   6.82 0.143 0.750 0.250 2.902     327.795     300.000       7.217    7 
-    250000       50000.00      24.588     -45.451     -20.863   5.87 0.286 0.714 0.286 1.886     223.074     300.000       6.761    7 
-    260000       52000.00      38.150     -44.704      -6.554   5.96 0.214 0.786 0.344 0.968     346.117     300.000       6.932    7 
-    270000       54000.00      38.061     -43.068      -5.007   5.57 0.214 0.700 0.227 3.334     345.311     300.000       7.089    7 
-    280000       56000.00      35.862     -43.216      -7.353   5.63 0.214 0.750 0.360 1.044     325.362     300.000       7.022    7 
-    290000       58000.00      35.894     -41.204      -5.310   6.35 0.214 0.812 0.347 1.776     325.651     300.000       6.750    7 
-    300000       60000.00      33.076     -46.471     -13.396   5.82 0.214 0.700 0.391 1.414     300.082     300.000       7.022    7 
-    310000       62000.00      28.678     -47.724     -19.046   6.32 0.214 0.833 0.316 2.282     260.185     290.000       6.573    7 
-    320000       64000.00      25.896     -39.725     -13.829   4.97 0.071 0.938 0.392 1.520     234.939     290.000       6.451    7 
-    330000       66000.00      25.309     -44.759     -19.451   4.57 0.286 0.692 0.287 1.686     229.613     290.000       7.119    7 
-    340000       68000.00      40.243     -21.113      19.130   4.51 0.214 0.824 0.342 1.763     365.109     290.000       6.716    7 
-    350000       70000.00      31.322     -50.314     -18.992   4.53 0.286 0.667 0.239 1.414     284.168     290.000       6.976    7 
-    360000       72000.00      33.252     -31.997       1.255   4.83 0.214 0.727 0.306 2.262     301.682     290.000       6.944    7 
-    370000       74000.00      29.073     -48.277     -19.204   5.22 0.286 0.733 0.364 1.973     263.767     290.000       6.948    7 
-    380000       76000.00      33.479     -37.709      -4.230   4.98 0.286 0.714 0.328 2.160     303.740     290.000       7.312    7 
-    390000       78000.00      30.881     -41.551     -10.670   5.04 0.143 0.833 0.383 2.262     280.172     290.000       7.078    7 
-    400000       80000.00      32.090     -43.020     -10.930   4.80 0.214 0.700 0.350 2.015     291.137     290.000       7.069    7 
-    410000       82000.00      26.409     -44.166     -17.757   4.74 0.286 0.636 0.269 1.025     239.593     280.000       7.231    7 
-    420000       84000.00      36.034     -46.030      -9.996   5.13 0.214 0.750 0.375 1.854     326.917     280.000       7.012    7 
-    430000       86000.00      27.243     -47.248     -20.005   4.75 0.214 0.786 0.416 1.560     247.160     280.000       6.814    7 
-    440000       88000.00      31.389     -49.432     -18.043   4.44 0.357 0.615 0.346 1.834     284.779     280.000       7.017    7 
-    450000       90000.00      34.494     -50.062     -15.568   4.45 0.429 0.667 0.283 1.298     312.946     280.000       6.676    7 
-    460000       92000.00      37.180     -54.819     -17.640   4.48 0.357 0.583 0.292 2.168     337.312     280.000       7.061    7 
-    470000       94000.00      34.354     -59.099     -24.745   4.75 0.214 0.667 0.273 2.071     311.677     280.000       6.895    7 
-    480000       96000.00      37.174     -50.622     -13.448   5.30 0.143 0.778 0.273 1.492     337.266     280.000       6.853    7 
-    490000       98000.00      31.479     -52.137     -20.658   5.01 0.357 0.667 0.300 1.979     285.595     280.000       6.592    7 
-    500000      100000.00      28.940     -48.949     -20.008   5.66 0.286 0.750 0.290 1.035     262.559     280.000       6.426    7 
-    510000      102000.00      35.520     -51.168     -15.649   5.18 0.357 0.615 0.374 3.478     322.254     280.000       6.552    7 
-    520000      104000.00      33.055     -58.158     -25.103   5.55 0.286 0.765 0.358 1.344     299.890     280.000       6.297    7 
-    530000      106000.00      29.894     -45.884     -15.990   5.34 0.214 0.769 0.343 1.556     271.212     280.000       6.584    7 
-    540000      108000.00      29.333     -57.758     -28.425   5.56 0.214 0.800 0.348 1.510     266.123     280.000       6.615    7 
-    550000      110000.00      33.988     -41.915      -7.927   6.46 0.143 0.778 0.247 0.799     308.355     280.000       7.451    7 
-    560000      112000.00      32.023     -30.890       1.133   6.71 0.214 0.800 0.321 3.440     290.531     280.000       6.709    7 
-    570000      114000.00      34.396     -47.495     -13.098   6.02 0.357 0.615 0.248 1.719     312.063     280.000       6.667    7 
-    580000      116000.00      29.513     -38.106      -8.593   5.50 0.214 0.700 0.364 1.599     267.756     280.000       6.658    7 
-    590000      118000.00      28.112     -45.619     -17.508   4.80 0.286 0.714 0.312 3.352     255.044     280.000       6.571    7 
-    600000      120000.00      26.801     -46.995     -20.194   4.91 0.357 0.444 0.177 1.274     243.153     280.000       7.878    7 
-    610000      122000.00      25.220     -56.074     -30.854   4.50 0.214 0.750 0.311 2.035     228.805     270.000       6.752    7 
-    620000      124000.00      30.100     -54.144     -24.044   5.05 0.286 0.636 0.343 1.383     273.082     270.000       6.629    7 
-    630000      126000.00      27.588     -46.389     -18.801   5.06 0.143 0.800 0.264 2.153     250.296     270.000       6.863    7 
-    640000      128000.00      34.833     -55.397     -20.564   5.30 0.286 0.714 0.351 2.312     316.025     270.000       6.849    7 
-    650000      130000.00      30.924     -58.760     -27.836   4.50 0.214 0.786 0.273 1.609     280.557     270.000       6.801    7 
-    660000      132000.00      29.872     -56.140     -26.268   5.63 0.357 0.722 0.333 1.074     271.011     270.000       6.308    7 
-    670000      134000.00      27.697     -55.356     -27.659   5.45 0.214 0.769 0.367 0.988     251.281     270.000       6.468    7 
-    680000      136000.00      34.893     -50.208     -15.315   4.85 0.143 0.833 0.356 3.660     316.570     270.000       6.808    7 
-    690000      138000.00      30.738     -56.694     -25.957   5.48 0.429 0.625 0.202 2.027     278.868     270.000       6.858    7 
-    700000      140000.00      25.399     -50.791     -25.391   5.49 0.286 0.750 0.312 1.504     230.436     270.000       6.455    7 
-    710000      142000.00      30.229     -39.120      -8.891   4.32 0.143 0.600 0.182 1.627     274.253     300.000       7.380    7 
-    720000      144000.00      32.419     -47.602     -15.184   4.98 0.143 0.846 0.350 1.433     294.120     300.000       6.578    7 
-    730000      146000.00      32.312     -48.227     -15.915   4.81 0.214 0.700 0.336 2.085     293.150     300.000       7.164    7 
-    740000      148000.00      40.475     -42.678      -2.203   5.15 0.286 0.600 0.273 1.651     367.208     300.000       7.475    7 
-    750000      150000.00      35.659     -48.949     -13.290   4.52 0.214 0.667 0.247 1.783     323.521     300.000       7.281    7 
-    760000      152000.00      30.522     -44.776     -14.253   4.76 0.357 0.615 0.350 1.676     276.914     300.000       7.007    7 
-    770000      154000.00      37.850     -40.266      -2.416   4.78 0.143 0.778 0.242 1.828     343.392     300.000       7.071    7 
-    780000      156000.00      35.900     -35.110       0.789   5.80 0.214 0.769 0.336 1.560     325.700     300.000       6.511    7 
-    790000      158000.00      28.398     -30.928      -2.529   5.74 0.214 0.727 0.347 1.938     257.643     300.000       8.530    7 
-    800000      160000.00      31.765     -48.439     -16.674   7.46 0.214 0.571 0.175 0.852     288.185     300.000       9.827    7 
-    810000      162000.00      36.928     -36.433       0.496   6.03 0.071 0.750 0.182 1.844     335.033     290.000       9.550    7 
-    820000      164000.00      38.503     -31.066       7.437   5.47 0.214 0.667 0.207 1.861     349.319     290.000       9.140    7 
-    830000      166000.00      44.924     -40.529       4.395   8.61 0.286 0.500 0.176 1.462     407.571     290.000      11.086    7 
-    840000      168000.00      31.902     -45.685     -13.783   8.20 0.286 0.500 0.176 1.490     289.434     290.000      11.185    7 
-    850000      170000.00      33.168     -40.693      -7.525   8.15 0.286 0.429 0.169 1.969     300.914     290.000      10.876    7 
-    860000      172000.00      28.570     -41.145     -12.576   3.67 0.143 0.818 0.186 1.176     259.199     290.000       7.334    7 
-    870000      174000.00      32.359     -46.978     -14.619   2.48 0.429 0.500 0.186 1.545     293.574     290.000       7.024    7 
-    880000      176000.00      31.566     -57.133     -25.568   1.92 0.429 0.667 0.313 1.898     286.380     290.000       6.663    7 
-    890000      178000.00      39.277     -35.651       3.626   2.57 0.357 0.643 0.282 1.803     356.345     290.000       6.419    7 
-    900000      180000.00      27.414     -37.654     -10.240   2.96 0.286 0.692 0.255 1.576     248.715     290.000       6.800    7 
-    910000      182000.00      32.329     -49.449     -17.120   3.14 0.429 0.571 0.185 1.612     293.310     280.000       7.670    7 
-    920000      184000.00      34.889     -48.265     -13.376   3.86 0.214 0.727 0.231 1.047     316.531     280.000       6.966    7 
-    930000      186000.00      23.196     -43.594     -20.398   2.25 0.357 0.643 0.305 3.877     210.447     280.000       6.521    7 
-    940000      188000.00      32.755     -53.445     -20.690   2.30 0.214 0.750 0.261 2.350     297.166     280.000       6.898    7 
-    950000      190000.00      32.624     -46.518     -13.894   6.60 0.143 0.800 0.227 1.437     295.981     280.000       7.523    7 
-    960000      192000.00      26.613     -48.119     -21.506   5.23 0.214 0.769 0.213 1.341     241.444     280.000       7.769    7 
-    970000      194000.00      45.180     -53.497      -8.317   5.85 0.214 0.625 0.176 1.708     409.898     280.000       8.363    7 
-    980000      196000.00      29.349     -53.984     -24.636   6.33 0.286 0.636 0.211 1.347     266.266     280.000       7.561    7 
-    990000      198000.00      35.584     -61.170     -25.586   6.86 0.357 0.643 0.208 1.934     322.839     280.000       7.688    7 
-   1000000      200000.00      35.115     -57.729     -22.614   6.21 0.357 0.583 0.193 1.352     318.585     280.000       8.051    7 
+         0           0.00      39.801      24.717      64.518  12.87 0.000   NaN   NaN 0.706     361.091     320.000      15.552    7 
+     10000        2000.00      38.357      -6.180      32.178  11.22 0.000 1.000 0.136 2.037     347.998     320.000      14.285    7 
+     20000        4000.00      30.906       5.486      36.392   9.48 0.000   NaN   NaN 2.400     280.392     320.000      13.172    7 
+     30000        6000.00      32.747      -8.874      23.873  10.71 0.000 1.000 0.182 0.862     297.094     320.000      13.967    7 
+     40000        8000.00      41.660     -19.778      21.882  10.54 0.071 0.667 0.227 2.818     377.961     320.000      13.460    7 
+     50000       10000.00      36.384     -13.652      22.732   8.23 0.000 1.000 0.250 1.018     330.094     320.000      12.089    7 
+     60000       12000.00      43.035      -8.070      34.965   9.74 0.000   NaN   NaN 1.981     390.434     320.000      12.905    7 
+     70000       14000.00      46.668      10.851      57.519   9.49 0.000 1.000 0.273 1.278     423.396     320.000      13.560    7 
+     80000       16000.00      36.343     -14.529      21.814  11.11 0.071 0.000 0.136 1.905     329.723     320.000      14.366    7 
+     90000       18000.00      43.453     -12.919      30.534  12.83 0.000   NaN   NaN 1.274     394.225     320.000      17.209    7 
+    100000       20000.00      27.536      -3.954      23.581  12.67 0.000   NaN   NaN 2.915     249.817     320.000      16.201    7 
+    110000       22000.00      44.450      10.670      55.121  11.23 0.000   NaN   NaN 2.796     403.277     400.000      14.901    7 
+    120000       24000.00      42.140       3.178      45.317   8.73 0.214 0.250 0.170 1.059     382.312     400.000      12.136    7 
+    130000       26000.00      47.658       6.996      54.654   8.04 0.071 0.500 0.136 2.262     432.379     400.000      11.787    7 
+    140000       28000.00      45.450       2.447      47.897   9.51 0.000 1.000 0.227 1.330     412.343     400.000      13.157    7 
+    150000       30000.00      60.048      -2.110      57.938  10.52 0.000 1.000 0.182 1.277     544.784     400.000      13.396    7 
+    160000       32000.00      48.385       2.529      50.914   9.62 0.071 0.000 0.136 1.621     438.972     400.000      12.654    7 
+    170000       34000.00      51.650       0.904      52.554  10.92 0.000   NaN   NaN 3.446     468.598     400.000      14.507    7 
+    180000       36000.00      39.782      -3.357      36.425   9.86 0.000 1.000 0.227 2.126     360.924     400.000      12.465    7 
+    190000       38000.00      48.097       5.637      53.734  10.78 0.071 0.500 0.159 2.323     436.360     400.000      13.697    7 
+    200000       40000.00      43.585       2.113      45.699   8.45 0.000   NaN   NaN 1.566     395.428     400.000      13.324    7 
+    210000       42000.00      51.602      15.362      66.964   7.62 0.000   NaN   NaN 2.378     468.159     390.000      11.061    7 
+    220000       44000.00      59.622      15.084      74.706   6.61 0.000   NaN   NaN 1.695     540.919     390.000      11.544    7 
+    230000       46000.00      46.012       7.082      53.094   5.60 0.000 1.000 0.341 1.844     417.448     390.000       9.652    7 
+    240000       48000.00      48.368       9.249      57.616   6.37 0.000   NaN   NaN 4.305     438.817     390.000      10.041    7 
+    250000       50000.00      48.046      -0.052      47.994   5.89 0.000 1.000 0.273 2.143     435.895     390.000       9.739    7 
+    260000       52000.00      44.353       4.627      48.980   4.95 0.071 0.800 0.527 1.326     402.390     390.000       8.076    7 
+    270000       54000.00      44.126       8.708      52.834   5.62 0.071 0.000 0.545 1.832     400.332     390.000       9.890    7 
+    280000       56000.00      33.879       1.687      35.566   4.80 0.071 0.667 0.500 2.049     307.365     390.000       8.478    7 
+    290000       58000.00      46.575     -11.615      34.960   4.26 0.214 0.500 0.311 2.883     422.549     390.000       8.403    7 
+    300000       60000.00      40.242       6.726      46.968   8.21 0.071 0.750 0.193 4.848     365.098     390.000      12.587    7 
+    310000       62000.00      47.548       3.002      50.550   9.77 0.000   NaN   NaN 1.040     431.376     380.000      13.124    7 
+    320000       64000.00      51.223      -2.361      48.862   8.17 0.143 0.333 0.182 2.438     464.718     380.000      11.546    7 
+    330000       66000.00      52.649       7.360      60.009   7.56 0.071 0.000 0.182 2.753     477.659     380.000      11.984    7 
+    340000       68000.00      51.300       9.446      60.746   6.60 0.143 0.600 0.191 1.767     465.417     380.000      10.165    7 
+    350000       70000.00      42.242      -0.652      41.590   6.61 0.000   NaN   NaN 1.993     383.244     380.000      11.408    7 
+    360000       72000.00      52.395      -3.152      49.244   7.29 0.071 0.750 0.205 2.183     475.358     380.000      11.302    7 
+    370000       74000.00      42.082      11.660      53.742   6.10 0.000 1.000 0.379 2.069     381.789     380.000       9.733    7 
+    380000       76000.00      42.271      -2.956      39.315   6.49 0.071 0.833 0.303 3.661     383.505     380.000       8.997    7 
+    390000       78000.00      38.231      -0.919      37.312   6.18 0.143 0.714 0.344 3.232     346.851     380.000       7.761    7 
+    400000       80000.00      36.046       3.362      39.408   6.25 0.071 0.667 0.303 2.587     327.024     380.000       7.938    7 
+    410000       82000.00      36.672     -10.738      25.933   5.94 0.071 0.500 0.500 2.552     332.705     370.000       8.668    7 
+    420000       84000.00      32.803     -10.679      22.124   6.52 0.000 1.000 0.455 2.334     297.605     370.000       9.960    7 
+    430000       86000.00      46.656      -3.512      43.143   5.13 0.071 0.000 0.136 1.277     423.284     370.000       9.255    7 
+    440000       88000.00      35.515      -1.567      33.948   4.92 0.071 0.500 0.182 1.163     322.208     370.000       9.729    7 
+    450000       90000.00      44.022      -0.243      43.780  10.65 0.071 0.667 0.227 2.861     399.394     370.000      13.318    7 
+    460000       92000.00      37.481       8.606      46.087   7.90 0.071 0.667 0.227 1.947     340.045     370.000      10.480    7 
+    470000       94000.00      41.601       0.201      41.802   8.82 0.000   NaN   NaN 0.872     377.426     370.000      11.178    7 
+    480000       96000.00      52.611      14.801      67.412  10.59 0.071 0.667 0.182 2.079     477.315     370.000      13.519    7 
+    490000       98000.00      47.514       0.362      47.876   9.70 0.071 0.000 0.182 1.938     431.075     370.000      12.793    7 
+    500000      100000.00      52.736      10.484      63.220   8.34 0.000 1.000 0.182 1.981     478.450     370.000      11.941    7 
+    510000      102000.00      48.888       0.531      49.419   6.41 0.000 1.000 0.136 1.187     443.536     360.000      10.715    7 
+    520000      104000.00      44.124      -8.167      35.958   6.04 0.000   NaN   NaN 1.519     400.320     360.000       9.491    7 
+    530000      106000.00      37.945     -12.808      25.137   6.58 0.143 0.750 0.369 3.197     344.256     360.000       7.796    7 
+    540000      108000.00      30.126     -16.162      13.964   6.26 0.143 0.778 0.439 0.980     273.318     360.000       7.063    7 
+    550000      110000.00      40.652     -12.963      27.689   5.57 0.143 0.600 0.191 1.299     368.816     360.000       7.744    7 
+    560000      112000.00      40.123     -11.280      28.843   5.04 0.143 0.800 0.368 4.025     364.018     360.000       7.258    7 
+    570000      114000.00      34.645     -17.794      16.851   4.72 0.071 0.833 0.288 2.250     314.318     360.000       8.475    7 
+    580000      116000.00      41.359     -11.174      30.184   4.38 0.071 0.857 0.442 1.446     375.226     360.000       7.538    7 
+    590000      118000.00      43.872      -1.592      42.281   5.93 0.000 1.000 0.614 2.062     398.034     360.000       9.436    7 
+    600000      120000.00      36.309     -16.821      19.488   7.97 0.000 1.000 0.209 3.490     329.417     360.000      11.150    7 
+    610000      122000.00      46.714     -18.503      28.210   5.75 0.071 0.875 0.438 1.043     423.810     350.000       8.714    7 
+    620000      124000.00      45.764     -14.970      30.794   5.03 0.143 0.333 0.167 1.169     415.194     350.000       8.012    7 
+    630000      126000.00      45.530       1.696      47.226   5.32 0.000 1.000 0.216 2.670     413.070     350.000       8.803    7 
+    640000      128000.00      33.524      -8.032      25.492   8.35 0.143 0.000 0.159 1.812     304.149     350.000      12.766    7 
+    650000      130000.00      41.350      -1.655      39.695   7.59 0.071 0.000 0.136 0.815     375.147     350.000       8.461    7 
+    660000      132000.00      34.042     -14.136      19.906   5.87 0.286 0.556 0.182 2.618     308.848     350.000       7.653    7 
+    670000      134000.00      34.390     -28.185       6.205   5.03 0.214 0.571 0.305 2.075     312.002     350.000       7.607    7 
+    680000      136000.00      39.170     -15.395      23.775   5.59 0.071 0.667 0.212 2.379     355.370     350.000       8.865    7 
+    690000      138000.00      42.162     -14.345      27.817   5.66 0.071 0.500 0.182 2.039     382.514     350.000       9.517    7 
+    700000      140000.00      50.961      -0.236      50.725   7.89 0.071 0.000 0.136 3.462     462.346     350.000      12.518    7 
+    710000      142000.00      33.498     -14.547      18.951  11.13 0.071 0.000 0.136 2.257     303.911     340.000      15.286    7 
+    720000      144000.00      39.479      -7.463      32.015  11.09 0.000   NaN   NaN 1.685     358.171     340.000      15.492    7 
+    730000      146000.00      34.333      -3.078      31.255  11.25 0.000   NaN   NaN 1.701     311.486     340.000      15.542    7 
+    740000      148000.00      37.793      -2.021      35.772  10.35 0.000   NaN   NaN 1.745     342.878     340.000      14.329    7 
+    750000      150000.00      37.350      -6.078      31.272   7.73 0.071 0.750 0.170 3.012     338.856     340.000      11.479    7 
+    760000      152000.00      43.634      -4.702      38.932   6.03 0.071 0.750 0.170 2.586     395.872     340.000       8.940    7 
+    770000      154000.00      38.907      -4.346      34.562   5.39 0.143 0.667 0.182 2.674     352.987     340.000       9.041    7 
+    780000      156000.00      32.786      -7.621      25.165   9.53 0.071 0.000 0.182 3.120     297.455     340.000      12.758    7 
+    790000      158000.00      30.410     -17.480      12.929   9.37 0.000 1.000 0.205 0.801     275.892     340.000      12.678    7 
+    800000      160000.00      43.906       6.825      50.731  10.38 0.000   NaN   NaN 2.027     398.339     340.000      13.937    7 
+    810000      162000.00      39.756       2.160      41.916  11.89 0.143 0.000 0.159 1.292     360.687     400.000      15.193    7 
+    820000      164000.00      55.187      18.835      74.022   8.82 0.071 0.500 0.182 1.762     500.685     400.000      12.542    7 
+    830000      166000.00      42.628      -1.354      41.274  10.14 0.143 0.000 0.159 1.684     386.740     400.000      12.815    7 
+    840000      168000.00      41.056      13.841      54.897  11.24 0.143 0.000 0.159 2.476     372.482     400.000      14.205    7 
+    850000      170000.00      53.054       7.251      60.305   9.66 0.000 1.000 0.182 2.164     481.330     400.000      13.645    7 
+    860000      172000.00      53.755       9.069      62.824  12.51 0.000   NaN   NaN 2.348     487.696     400.000      16.026    7 
+    870000      174000.00      34.003      -9.676      24.327   8.20 0.143 0.500 0.170 2.352     308.494     400.000      12.303    7 
+    880000      176000.00      44.342      -0.284      44.057   8.90 0.000   NaN   NaN 2.429     402.293     400.000      11.571    7 
+    890000      178000.00      39.846       3.982      43.829   8.64 0.071 0.000 0.182 2.287     361.506     400.000      13.152    7 
+    900000      180000.00      40.099       9.120      49.219   6.64 0.000 1.000 0.258 3.112     363.800     400.000       9.142    7 
+    910000      182000.00      39.000       7.486      46.486   7.20 0.000 1.000 0.136 1.273     353.831     390.000      11.067    7 
+    920000      184000.00      60.323      12.978      73.301   5.64 0.214 0.250 0.159 1.926     547.281     390.000      10.368    7 
+    930000      186000.00      42.004       7.784      49.788   6.96 0.143 0.000 0.182 5.481     381.086     390.000      11.731    7 
+    940000      188000.00      40.761       3.065      43.825   5.49 0.071 0.667 0.152 1.855     369.801     390.000       9.673    7 
+    950000      190000.00      45.979     -10.070      35.909   4.01 0.214 0.250 0.420 1.975     417.148     390.000       8.729    7 
+    960000      192000.00      39.128      -3.239      35.889   4.48 0.000 1.000 0.182 1.925     354.988     390.000       9.551    7 
+    970000      194000.00      47.643      -6.811      40.831   4.32 0.071 0.800 0.409 2.992     432.239     390.000       8.095    7 
+    980000      196000.00      44.534      12.074      56.608   4.48 0.143 0.667 0.485 2.528     404.038     390.000       8.584    7 
+    990000      198000.00      59.163      -1.699      57.464   5.58 0.000   NaN   NaN 1.001     536.756     390.000      10.595    7 
+   1000000      200000.00      47.523      -0.326      47.197   6.09 0.000 1.000 0.136 2.795     431.155     390.000      10.915    7 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB008.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB008.stat
index a42abb3..cd0ce55 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB008.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB008.stat
@@ -1,101 +1,101 @@
-         0           0.00      38.654      21.053      59.707  12.87 0.000   NaN   NaN 0.933     350.689     330.000      15.552    8 
-     10000        2000.00      42.597      -0.207      42.389  12.51 0.000 1.000 0.136 2.404     386.460     330.000      15.631    8 
-     20000        4000.00      30.893     -17.483      13.409  10.91 0.071 0.000 0.136 1.406     280.275     330.000      15.020    8 
-     30000        6000.00      29.982      -4.495      25.487   8.17 0.000   NaN   NaN 2.724     272.010     330.000      11.255    8 
-     40000        8000.00      32.995     -17.905      15.089   7.55 0.214 0.571 0.227 0.809     299.343     330.000      10.456    8 
-     50000       10000.00      37.847     -18.371      19.476   6.89 0.071 0.857 0.305 4.388     343.365     330.000       9.039    8 
-     60000       12000.00      37.879      -9.197      28.681   6.93 0.071 0.667 0.258 2.211     343.654     330.000       9.836    8 
-     70000       14000.00      43.362     -27.817      15.545   5.97 0.214 0.700 0.259 1.311     393.400     330.000       8.223    8 
-     80000       16000.00      43.255     -35.089       8.166   5.06 0.071 0.900 0.382 1.836     392.429     330.000       6.980    8 
-     90000       18000.00      34.624      -9.821      24.803   5.84 0.143 0.818 0.360 2.989     314.123     330.000       7.065    8 
-    100000       20000.00      33.381     -31.561       1.820   5.48 0.214 0.700 0.459 1.739     302.852     330.000       7.085    8 
-    110000       22000.00      40.881     -33.875       7.006   6.02 0.143 0.750 0.295 1.979     370.894     330.000       7.290    8 
-    120000       24000.00      35.340     -28.137       7.204   5.54 0.214 0.750 0.295 3.029     320.625     330.000       6.954    8 
-    130000       26000.00      39.607     -34.906       4.701   5.61 0.214 0.667 0.237 1.196     359.336     330.000       7.292    8 
-    140000       28000.00      34.337     -23.281      11.056   5.32 0.286 0.556 0.313 1.775     311.526     330.000       7.123    8 
-    150000       30000.00      35.099     -39.409      -4.310   5.06 0.214 0.750 0.292 2.040     318.439     330.000       7.708    8 
-    160000       32000.00      33.076     -38.170      -5.093   5.77 0.214 0.750 0.405 2.055     300.085     330.000       7.013    8 
-    170000       34000.00      31.037     -33.867      -2.829   5.89 0.214 0.625 0.244 1.646     281.587     330.000       7.932    8 
-    180000       36000.00      52.575     -29.831      22.744   5.45 0.143 0.778 0.318 1.579     476.985     330.000       7.145    8 
-    190000       38000.00      48.801     -28.587      20.215   5.48 0.214 0.786 0.432 3.200     442.752     330.000       6.809    8 
-    200000       40000.00      40.407     -34.709       5.698   5.59 0.214 0.727 0.364 1.532     366.597     330.000       6.961    8 
-    210000       42000.00      32.758     -25.929       6.830   4.94 0.214 0.500 0.364 1.958     297.201     340.000       7.652    8 
-    220000       44000.00      34.904     -23.373      11.531   5.16 0.214 0.625 0.324 1.384     316.669     340.000       7.292    8 
-    230000       46000.00      45.615     -19.721      25.894   5.33 0.286 0.556 0.359 2.301     413.841     340.000       7.152    8 
-    240000       48000.00      42.296     -33.344       8.952   4.31 0.429 0.600 0.342 2.084     383.730     340.000       6.928    8 
-    250000       50000.00      43.737     -29.803      13.934   5.17 0.286 0.714 0.393 0.994     396.806     340.000       6.707    8 
-    260000       52000.00      37.606     -18.316      19.290   4.63 0.286 0.733 0.279 2.968     341.181     340.000       6.798    8 
-    270000       54000.00      40.974     -32.476       8.499   4.83 0.143 0.750 0.324 0.940     371.741     340.000       7.295    8 
-    280000       56000.00      45.150      -3.969      41.181   4.83 0.000 1.000 0.455 2.259     409.626     340.000       7.361    8 
-    290000       58000.00      36.064     -23.840      12.224   5.97 0.143 0.750 0.392 2.332     327.189     340.000       7.840    8 
-    300000       60000.00      46.259     -18.743      27.516   5.06 0.000 1.000 0.359 1.579     419.684     340.000       7.532    8 
-    310000       62000.00      36.310     -19.906      16.404   6.31 0.071 0.889 0.394 2.194     329.425     330.000       7.038    8 
-    320000       64000.00      42.390     -34.143       8.247   6.67 0.071 0.929 0.481 3.780     384.584     330.000       7.051    8 
-    330000       66000.00      30.582     -28.630       1.952   4.13 0.143 0.714 0.383 1.525     277.453     330.000       8.001    8 
-    340000       68000.00      45.632     -33.108      12.524   3.65 0.214 0.800 0.394 1.355     414.001     330.000       6.950    8 
-    350000       70000.00      26.698     -38.898     -12.200   4.76 0.214 0.750 0.402 2.624     242.219     330.000       6.943    8 
-    360000       72000.00      33.520     -36.387      -2.868   4.31 0.357 0.643 0.325 1.867     304.108     330.000       6.934    8 
-    370000       74000.00      52.246     -43.722       8.524   3.87 0.071 0.900 0.309 1.159     474.000     330.000       6.971    8 
-    380000       76000.00      36.158     -38.736      -2.578   4.91 0.143 0.833 0.420 1.895     328.045     330.000       6.833    8 
-    390000       78000.00      40.429     -29.983      10.446   4.33 0.214 0.750 0.303 1.927     366.792     330.000       7.556    8 
-    400000       80000.00      32.071     -37.220      -5.149   3.31 0.143 0.818 0.393 3.086     290.964     330.000       6.949    8 
-    410000       82000.00      33.722     -15.059      18.663   3.79 0.071 0.857 0.234 1.339     305.943     340.000       8.131    8 
-    420000       84000.00      48.739     -26.237      22.502   3.63 0.429 0.647 0.324 1.753     442.185     340.000       6.624    8 
-    430000       86000.00      43.609     -30.278      13.332   5.85 0.214 0.727 0.298 1.682     395.648     340.000       7.217    8 
-    440000       88000.00      28.913     -14.780      14.134   6.79 0.143 0.778 0.192 1.427     262.318     340.000       7.785    8 
-    450000       90000.00      36.390     -14.359      22.031   7.31 0.071 0.889 0.313 2.041     330.149     340.000       7.223    8 
-    460000       92000.00      33.228     -24.496       8.732   5.36 0.071 0.875 0.239 0.253     301.462     340.000       7.971    8 
-    470000       94000.00      39.842     -28.239      11.603   4.21 0.214 0.625 0.222 1.932     361.466     340.000       7.570    8 
-    480000       96000.00      42.363     -15.585      26.779   4.55 0.143 0.750 0.233 2.793     384.341     340.000       7.707    8 
-    490000       98000.00      42.858     -28.780      14.078   3.80 0.143 0.778 0.258 1.386     388.831     340.000       6.878    8 
-    500000      100000.00      22.598     -24.201      -1.603   7.28 0.286 0.714 0.341 1.675     205.018     340.000       6.886    8 
-    510000      102000.00      33.685     -32.252       1.433   7.95 0.143 0.833 0.417 1.858     305.604     330.000       6.849    8 
-    520000      104000.00      36.862     -25.071      11.791   6.34 0.000 1.000 0.382 0.988     334.430     330.000       7.059    8 
-    530000      106000.00      36.683     -26.302      10.381   6.58 0.000 1.000 0.420 2.127     332.810     330.000       6.757    8 
-    540000      108000.00      44.124     -29.148      14.976   6.45 0.071 0.875 0.261 2.057     400.314     330.000       7.415    8 
-    550000      110000.00      34.499     -23.220      11.279   7.01 0.071 0.889 0.323 2.850     312.995     330.000       7.287    8 
-    560000      112000.00      33.361     -33.876      -0.515   5.62 0.143 0.833 0.345 2.077     302.670     330.000       7.271    8 
-    570000      114000.00      33.584     -29.293       4.291   6.69 0.214 0.700 0.373 2.028     304.695     330.000       7.189    8 
-    580000      116000.00      36.641     -29.494       7.147   7.32 0.000 1.000 0.364 2.178     332.427     330.000       7.805    8 
-    590000      118000.00      45.038     -26.354      18.683   5.89 0.143 0.714 0.305 1.278     408.603     330.000       7.219    8 
-    600000      120000.00      40.496     -27.609      12.888   5.40 0.214 0.700 0.368 1.389     367.405     330.000       6.935    8 
-    610000      122000.00      35.427     -19.419      16.008   5.70 0.071 0.889 0.414 1.579     321.410     320.000       7.356    8 
-    620000      124000.00      31.829     -20.018      11.811   5.76 0.000 1.000 0.470 2.075     288.769     320.000       7.523    8 
-    630000      126000.00      45.412     -21.719      23.693   7.56 0.000 1.000 0.312 3.744     412.000     320.000       7.111    8 
-    640000      128000.00      35.239     -38.028      -2.789   6.99 0.214 0.812 0.338 2.574     319.704     320.000       6.842    8 
-    650000      130000.00      39.209     -26.576      12.633   6.89 0.143 0.600 0.218 1.071     355.721     320.000       7.292    8 
-    660000      132000.00      41.691     -21.528      20.163   7.10 0.071 0.800 0.227 1.853     378.243     320.000       7.706    8 
-    670000      134000.00      33.725     -24.608       9.117   5.98 0.071 0.900 0.332 2.153     305.969     320.000       7.058    8 
-    680000      136000.00      38.241     -31.015       7.225   5.95 0.286 0.667 0.318 0.959     346.939     320.000       7.387    8 
-    690000      138000.00      36.357     -20.122      16.235   5.60 0.071 0.857 0.325 2.581     329.847     320.000       7.464    8 
-    700000      140000.00      35.837     -23.125      12.712   5.12 0.071 0.917 0.318 2.070     325.136     320.000       7.937    8 
-    710000      142000.00      43.002     -25.296      17.706   6.70 0.071 0.889 0.318 0.808     390.138     330.000       7.279    8 
-    720000      144000.00      45.283     -20.146      25.137   8.44 0.000 1.000 0.291 2.639     410.832     330.000      10.678    8 
-    730000      146000.00      39.417     -31.834       7.584   6.41 0.000 1.000 0.352 1.987     357.615     330.000       8.017    8 
-    740000      148000.00      36.882     -33.830       3.051   7.08 0.143 0.833 0.345 1.549     334.609     330.000       6.690    8 
-    750000      150000.00      39.918     -20.834      19.084   6.63 0.143 0.800 0.273 1.782     362.157     330.000       7.638    8 
-    760000      152000.00      37.685     -28.992       8.693   6.37 0.071 0.900 0.350 1.415     341.901     330.000       6.787    8 
-    770000      154000.00      33.123     -30.511       2.612   6.72 0.071 0.857 0.338 2.000     300.506     330.000       7.005    8 
-    780000      156000.00      41.092     -34.635       6.458   7.53 0.143 0.800 0.264 2.710     372.812     330.000       7.008    8 
-    790000      158000.00      33.379     -16.554      16.825   7.12 0.071 0.909 0.368 1.353     302.832     330.000       6.811    8 
-    800000      160000.00      36.456     -33.670       2.785   7.13 0.143 0.818 0.326 1.906     330.743     330.000       7.006    8 
-    810000      162000.00      35.263     -24.859      10.404   6.72 0.143 0.800 0.355 1.358     319.921     320.000       7.010    8 
-    820000      164000.00      42.566     -34.914       7.653   5.42 0.143 0.857 0.383 2.856     386.184     320.000       6.836    8 
-    830000      166000.00      35.793     -36.278      -0.485   6.51 0.143 0.714 0.448 2.964     324.733     320.000       7.265    8 
-    840000      168000.00      33.256     -30.738       2.519   5.88 0.214 0.786 0.364 1.428     301.719     320.000       7.177    8 
-    850000      170000.00      35.573     -36.183      -0.610   5.93 0.143 0.667 0.424 0.625     322.737     320.000       7.295    8 
-    860000      172000.00      36.371     -28.844       7.527   6.12 0.214 0.667 0.475 3.360     329.976     320.000       7.671    8 
-    870000      174000.00      33.591     -17.881      15.710   4.71 0.214 0.700 0.364 2.989     304.756     320.000       6.874    8 
-    880000      176000.00      31.587     -36.819      -5.231   5.84 0.286 0.556 0.242 2.430     286.578     320.000       8.207    8 
-    890000      178000.00      35.940     -35.840       0.100   4.79 0.214 0.667 0.318 1.290     326.070     320.000       7.559    8 
-    900000      180000.00      29.394     -35.561      -6.167   3.07 0.571 0.429 0.347 2.893     266.678     320.000       6.925    8 
-    910000      182000.00      38.242     -33.934       4.308   3.65 0.214 0.667 0.394 2.555     346.950     310.000       6.966    8 
-    920000      184000.00      30.401     -33.006      -2.605   3.69 0.214 0.800 0.288 1.897     275.815     310.000       7.212    8 
-    930000      186000.00      40.295     -52.985     -12.690   4.02 0.357 0.722 0.412 1.405     365.573     310.000       6.970    8 
-    940000      188000.00      42.128     -34.277       7.851   4.22 0.143 0.750 0.233 1.769     382.205     310.000       7.220    8 
-    950000      190000.00      40.519     -44.070      -3.550   4.10 0.143 0.714 0.208 1.267     367.612     310.000       7.288    8 
-    960000      192000.00      34.173     -34.203      -0.030   5.28 0.214 0.727 0.405 2.539     310.038     310.000       6.795    8 
-    970000      194000.00      29.314     -44.882     -15.568   4.33 0.357 0.615 0.234 2.368     265.952     310.000       7.168    8 
-    980000      196000.00      30.064     -37.272      -7.208   7.35 0.286 0.600 0.173 1.340     272.753     310.000       8.049    8 
-    990000      198000.00      36.522     -39.084      -2.562   6.70 0.214 0.667 0.212 1.506     331.342     310.000       8.742    8 
-   1000000      200000.00      26.395     -48.281     -21.886   6.97 0.286 0.692 0.227 2.949     239.469     310.000       7.494    8 
+         0           0.00      38.701      24.668      63.369  12.87 0.000   NaN   NaN 0.706     351.119     330.000      15.552    8 
+     10000        2000.00      37.477      -6.125      31.352  13.70 0.000   NaN   NaN 1.577     340.008     330.000      16.568    8 
+     20000        4000.00      49.608       5.041      54.648  10.68 0.000   NaN   NaN 3.133     450.066     330.000      14.951    8 
+     30000        6000.00      43.462     -12.256      31.205  11.22 0.000 1.000 0.136 2.324     394.308     330.000      14.611    8 
+     40000        8000.00      34.510      11.849      46.359  11.50 0.000   NaN   NaN 2.550     313.091     330.000      14.562    8 
+     50000       10000.00      35.852       6.278      42.131  13.60 0.214 0.250 0.148 3.260     325.271     330.000      16.566    8 
+     60000       12000.00      35.910      -2.867      33.043  11.85 0.214 0.000 0.152 1.138     325.792     330.000      14.869    8 
+     70000       14000.00      39.328     -15.861      23.468  11.24 0.071 0.000 0.136 1.610     356.806     330.000      15.170    8 
+     80000       16000.00      29.935      -9.795      20.139   7.66 0.143 0.500 0.148 2.961     271.585     330.000      10.689    8 
+     90000       18000.00      35.576     -26.862       8.714   6.98 0.071 0.857 0.266 1.175     322.767     330.000       7.983    8 
+    100000       20000.00      40.175     -16.829      23.346   5.91 0.071 0.500 0.250 1.517     364.486     330.000       8.354    8 
+    110000       22000.00      36.452     -16.421      20.031   5.91 0.000 1.000 0.379 1.920     330.713     320.000       7.929    8 
+    120000       24000.00      39.584     -18.620      20.964   5.71 0.071 0.900 0.236 3.193     359.127     320.000       8.060    8 
+    130000       26000.00      35.299      -9.171      26.129   9.33 0.071 0.000 0.182 1.228     320.254     320.000      12.951    8 
+    140000       28000.00      33.171      -6.914      26.257   9.54 0.214 0.500 0.167 2.276     300.942     320.000      11.958    8 
+    150000       30000.00      38.735     -18.372      20.364   6.26 0.214 0.400 0.173 1.606     351.426     320.000      10.283    8 
+    160000       32000.00      36.606     -26.987       9.619   5.73 0.214 0.625 0.188 1.300     332.112     320.000       9.766    8 
+    170000       34000.00      30.063     -26.084       3.979   3.89 0.143 0.667 0.235 1.240     272.748     320.000       7.687    8 
+    180000       36000.00      38.653      -3.707      34.947   4.18 0.357 0.375 0.318 3.518     350.684     320.000       7.784    8 
+    190000       38000.00      39.678     -17.854      21.824   4.60 0.071 0.857 0.299 2.794     359.980     320.000       8.134    8 
+    200000       40000.00      34.982     -17.180      17.802   5.21 0.143 0.500 0.182 2.673     317.377     320.000       9.230    8 
+    210000       42000.00      42.403     -20.845      21.559   7.25 0.143 0.500 0.159 1.087     384.706     310.000      11.129    8 
+    220000       44000.00      43.089      -7.955      35.135   8.53 0.143 0.333 0.152 2.305     390.930     310.000      12.358    8 
+    230000       46000.00      35.161     -19.120      16.041   7.53 0.143 0.500 0.182 1.974     318.995     310.000      11.321    8 
+    240000       48000.00      32.474     -10.717      21.758   5.61 0.214 0.500 0.182 1.967     294.623     310.000       9.567    8 
+    250000       50000.00      31.217     -33.589      -2.372   6.35 0.143 0.500 0.148 1.538     283.216     310.000      10.337    8 
+    260000       52000.00      31.446     -23.825       7.621   6.31 0.214 0.400 0.282 1.324     285.298     310.000       9.564    8 
+    270000       54000.00      39.234     -12.274      26.961   7.56 0.071 0.833 0.220 2.959     355.955     310.000       9.336    8 
+    280000       56000.00      37.517     -22.872      14.645   5.72 0.214 0.571 0.247 2.220     340.377     310.000       7.898    8 
+    290000       58000.00      34.000     -22.279      11.720   5.82 0.143 0.714 0.240 2.215     308.464     310.000       8.839    8 
+    300000       60000.00      46.348     -22.450      23.898   8.19 0.143 0.500 0.170 2.439     420.495     310.000      11.494    8 
+    310000       62000.00      44.683     -34.676      10.008   7.34 0.214 0.500 0.159 2.102     405.391     300.000      10.314    8 
+    320000       64000.00      31.885     -27.578       4.307   7.06 0.214 0.571 0.208 2.485     289.279     300.000       9.866    8 
+    330000       66000.00      37.979     -33.592       4.387   9.01 0.143 0.600 0.145 1.800     344.566     300.000      12.385    8 
+    340000       68000.00      29.812     -28.587       1.224  10.55 0.286 0.556 0.172 1.535     270.467     300.000      12.719    8 
+    350000       70000.00      31.660     -26.630       5.030   7.77 0.071 0.800 0.145 1.555     287.236     300.000      11.053    8 
+    360000       72000.00      28.847     -34.412      -5.565   2.66 0.214 0.625 0.159 2.230     261.716     300.000       7.670    8 
+    370000       74000.00      36.631     -24.631      12.000   4.21 0.286 0.636 0.260 1.702     332.338     300.000       6.866    8 
+    380000       76000.00      30.469     -16.631      13.838   5.49 0.143 0.750 0.403 2.671     276.428     300.000       7.490    8 
+    390000       78000.00      37.985     -30.843       7.142   4.61 0.214 0.571 0.227 1.646     344.617     300.000       7.321    8 
+    400000       80000.00      24.646     -16.136       8.510   4.60 0.357 0.615 0.220 1.702     223.597     300.000       7.091    8 
+    410000       82000.00      29.034     -47.023     -17.989   5.23 0.143 0.846 0.220 1.326     263.416     290.000       6.924    8 
+    420000       84000.00      31.989     -42.185     -10.195   4.92 0.214 0.667 0.242 1.526     290.224     290.000       7.263    8 
+    430000       86000.00      35.426     -28.315       7.111   5.26 0.143 0.778 0.242 3.125     321.404     290.000       7.472    8 
+    440000       88000.00      33.881     -39.991      -6.110   5.54 0.214 0.800 0.358 1.968     307.381     290.000       6.794    8 
+    450000       90000.00      40.272     -42.461      -2.189   4.74 0.071 0.889 0.318 1.792     365.371     290.000       6.889    8 
+    460000       92000.00      24.546     -47.487     -22.941   4.59 0.357 0.706 0.358 1.817     222.692     290.000       6.901    8 
+    470000       94000.00      31.839     -29.986       1.853   4.68 0.214 0.700 0.364 2.364     288.860     290.000       7.139    8 
+    480000       96000.00      30.367     -33.996      -3.629   5.96 0.214 0.800 0.324 2.221     275.502     290.000       6.552    8 
+    490000       98000.00      39.811     -40.189      -0.378   6.37 0.071 0.909 0.273 1.732     361.186     290.000       6.861    8 
+    500000      100000.00      38.160     -32.273       5.887   5.75 0.143 0.867 0.321 2.355     346.203     290.000       6.746    8 
+    510000      102000.00      32.205     -47.594     -15.389   6.07 0.143 0.833 0.318 0.930     292.185     290.000       6.836    8 
+    520000      104000.00      38.518     -31.228       7.290   5.85 0.143 0.857 0.351 2.731     349.456     290.000       6.671    8 
+    530000      106000.00      38.911     -35.418       3.493   6.31 0.071 0.889 0.354 1.580     353.023     290.000       6.670    8 
+    540000      108000.00      38.948     -36.022       2.927   3.96 0.286 0.600 0.273 1.036     353.359     290.000       7.740    8 
+    550000      110000.00      39.213     -31.195       8.019   5.07 0.143 0.667 0.242 1.400     355.762     290.000       7.222    8 
+    560000      112000.00      30.943     -37.007      -6.064   5.55 0.071 0.857 0.286 1.392     280.733     290.000       7.165    8 
+    570000      114000.00      29.828     -32.573      -2.744   5.04 0.143 0.818 0.360 2.365     270.617     290.000       7.192    8 
+    580000      116000.00      27.409     -33.253      -5.844   3.88 0.214 0.571 0.208 2.440     248.673     290.000       7.566    8 
+    590000      118000.00      36.221     -35.602       0.618   4.40 0.214 0.750 0.250 2.055     328.611     290.000       6.984    8 
+    600000      120000.00      41.562     -35.174       6.388   4.13 0.214 0.571 0.292 1.187     377.074     290.000       7.938    8 
+    610000      122000.00      39.080     -50.204     -11.124   4.07 0.214 0.750 0.265 0.807     354.553     280.000       6.966    8 
+    620000      124000.00      27.946     -29.015      -1.069   4.68 0.214 0.727 0.277 2.525     253.542     280.000       7.214    8 
+    630000      126000.00      31.493     -41.797     -10.303   5.33 0.286 0.600 0.305 2.575     285.725     280.000       6.528    8 
+    640000      128000.00      34.041     -26.183       7.858   4.25 0.429 0.538 0.308 2.026     308.837     280.000       6.904    8 
+    650000      130000.00      41.511     -47.986      -6.474   4.39 0.286 0.692 0.304 1.333     376.612     280.000       7.101    8 
+    660000      132000.00      32.035     -44.963     -12.927   5.06 0.286 0.714 0.250 1.689     290.641     280.000       6.829    8 
+    670000      134000.00      34.814     -45.086     -10.272   5.14 0.357 0.444 0.187 1.215     315.849     280.000       7.209    8 
+    680000      136000.00      26.164     -54.092     -27.928   5.74 0.214 0.800 0.324 3.279     237.373     280.000       7.456    8 
+    690000      138000.00      45.858     -37.445       8.413   5.60 0.286 0.556 0.354 2.613     416.049     280.000       7.085    8 
+    700000      140000.00      30.420     -32.094      -1.674   7.01 0.357 0.615 0.252 3.918     275.982     280.000       6.707    8 
+    710000      142000.00      41.206     -36.787       4.419   6.17 0.214 0.769 0.290 2.607     373.838     300.000       7.248    8 
+    720000      144000.00      37.903     -32.797       5.106   6.30 0.286 0.733 0.218 2.196     343.877     300.000       7.152    8 
+    730000      146000.00      36.129     -25.539      10.589   6.73 0.357 0.444 0.192 1.224     327.777     300.000       7.421    8 
+    740000      148000.00      38.767     -29.285       9.482   6.10 0.214 0.500 0.167 2.369     351.717     300.000       9.783    8 
+    750000      150000.00      38.086     -30.549       7.537   6.68 0.000 1.000 0.182 2.871     345.532     300.000       9.256    8 
+    760000      152000.00      36.536     -36.186       0.351   6.28 0.214 0.786 0.253 3.690     331.478     300.000       6.656    8 
+    770000      154000.00      37.765     -37.884      -0.119   5.29 0.143 0.750 0.199 2.313     342.623     300.000       7.750    8 
+    780000      156000.00      30.837     -39.191      -8.354   6.40 0.286 0.692 0.234 1.096     279.770     300.000       7.258    8 
+    790000      158000.00      36.769     -32.035       4.734   6.46 0.214 0.750 0.212 2.901     333.589     300.000       7.462    8 
+    800000      160000.00      36.665     -39.310      -2.645   6.67 0.214 0.571 0.208 2.652     332.644     300.000       8.470    8 
+    810000      162000.00      35.747     -45.897     -10.151   5.68 0.286 0.667 0.212 1.574     324.312     290.000       7.963    8 
+    820000      164000.00      30.604     -39.373      -8.770   6.63 0.357 0.545 0.202 1.469     277.652     290.000       7.816    8 
+    830000      166000.00      36.345     -21.914      14.431   7.08 0.143 0.778 0.217 1.559     329.740     290.000       7.658    8 
+    840000      168000.00      28.891     -37.207      -8.316   7.03 0.286 0.636 0.223 1.486     262.117     290.000       7.502    8 
+    850000      170000.00      39.562     -20.603      18.960   6.96 0.143 0.714 0.214 3.144     358.929     290.000       7.708    8 
+    860000      172000.00      31.564     -30.650       0.914   7.40 0.286 0.500 0.193 1.679     286.361     290.000      10.424    8 
+    870000      174000.00      38.807     -29.402       9.406   6.90 0.214 0.625 0.290 4.235     352.081     290.000       9.587    8 
+    880000      176000.00      33.243     -20.673      12.570   6.61 0.286 0.600 0.250 2.137     301.596     290.000       9.865    8 
+    890000      178000.00      28.244     -26.491       1.752   8.24 0.286 0.500 0.176 1.352     256.242     290.000      10.872    8 
+    900000      180000.00      35.670     -21.764      13.906   8.09 0.286 0.500 0.176 2.409     323.617     290.000      10.988    8 
+    910000      182000.00      40.146     -17.326      22.820   5.93 0.143 0.500 0.170 2.019     364.228     310.000      10.959    8 
+    920000      184000.00      38.996     -16.532      22.465   6.74 0.286 0.429 0.240 1.977     353.793     310.000       9.291    8 
+    930000      186000.00      30.729     -18.467      12.263   6.19 0.214 0.571 0.188 1.096     278.793     310.000       9.763    8 
+    940000      188000.00      37.045     -13.713      23.333   5.89 0.143 0.667 0.265 1.586     336.096     310.000       8.979    8 
+    950000      190000.00      46.275     -19.624      26.651   7.82 0.143 0.714 0.208 1.880     419.834     310.000      10.236    8 
+    960000      192000.00      33.104     -30.202       2.903   7.52 0.286 0.600 0.209 1.308     300.341     310.000       9.694    8 
+    970000      194000.00      35.343     -23.421      11.922   7.28 0.286 0.556 0.207 2.022     320.650     310.000       9.625    8 
+    980000      196000.00      28.771     -24.909       3.862   6.56 0.286 0.429 0.149 2.143     261.023     310.000       9.572    8 
+    990000      198000.00      32.891     -18.471      14.420   7.98 0.071 0.750 0.148 2.799     298.400     310.000      11.649    8 
+   1000000      200000.00      34.868     -31.263       3.605   8.10 0.143 0.500 0.136 2.164     316.337     310.000      11.162    8 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB009.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB009.stat
index 5627c86..ea9927f 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB009.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB009.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.538      21.011      54.549  12.87 0.000   NaN   NaN 0.933     304.270     340.000      15.552    9 
-     10000        2000.00      32.653       2.324      34.977   8.68 0.000 1.000 0.273 2.927     296.244     340.000      10.998    9 
-     20000        4000.00      52.847     -10.439      42.408   8.65 0.000 1.000 0.227 2.685     479.456     340.000      10.791    9 
-     30000        6000.00      47.483     -15.537      31.946   5.93 0.214 0.500 0.189 1.858     430.792     340.000       9.553    9 
-     40000        8000.00      39.311     -34.726       4.585   3.05 0.357 0.667 0.400 1.782     356.647     340.000       6.574    9 
-     50000       10000.00      40.739     -25.207      15.531   3.54 0.214 0.500 0.371 2.524     369.602     340.000       7.078    9 
-     60000       12000.00      41.506     -33.708       7.798   3.79 0.286 0.667 0.307 1.430     376.564     340.000       6.569    9 
-     70000       14000.00      37.528     -26.504      11.024   4.50 0.214 0.700 0.241 2.231     340.472     340.000       7.124    9 
-     80000       16000.00      46.619     -25.235      21.384   3.73 0.143 0.818 0.273 1.180     422.949     340.000       7.226    9 
-     90000       18000.00      35.105      -7.629      27.476   4.25 0.286 0.429 0.169 2.846     318.493     340.000       8.511    9 
-    100000       20000.00      44.096     -16.450      27.646   4.29 0.286 0.636 0.401 1.409     400.063     340.000       7.561    9 
-    110000       22000.00      42.720      -8.812      33.908   4.62 0.143 0.667 0.311 2.077     387.578     370.000       7.980    9 
-    120000       24000.00      48.786     -19.816      28.970   4.17 0.143 0.714 0.377 3.765     442.611     370.000       7.559    9 
-    130000       26000.00      34.437     -29.179       5.258   5.18 0.071 0.923 0.416 2.769     312.426     370.000       7.059    9 
-    140000       28000.00      58.996     -19.817      39.179   4.00 0.071 0.857 0.325 2.712     535.244     370.000       7.884    9 
-    150000       30000.00      43.208     -27.488      15.720   4.30 0.214 0.727 0.326 1.447     392.005     370.000       7.508    9 
-    160000       32000.00      42.485     -22.122      20.363   3.76 0.214 0.625 0.335 1.811     385.445     370.000       7.842    9 
-    170000       34000.00      39.119     -21.615      17.504   4.55 0.143 0.714 0.468 2.046     354.908     370.000       8.459    9 
-    180000       36000.00      45.345      -4.783      40.561   5.89 0.214 0.625 0.426 3.908     411.389     370.000       7.068    9 
-    190000       38000.00      44.331     -14.701      29.630   6.94 0.143 0.750 0.398 1.097     402.195     370.000       7.547    9 
-    200000       40000.00      41.131     -26.306      14.825   7.13 0.071 0.917 0.318 1.379     373.160     370.000       7.136    9 
-    210000       42000.00      39.893     -20.261      19.633   6.92 0.000 1.000 0.418 0.458     361.933     360.000       8.033    9 
-    220000       44000.00      33.386     -22.054      11.332   6.92 0.143 0.750 0.335 1.437     302.894     360.000       7.216    9 
-    230000       46000.00      41.228     -17.528      23.700   7.38 0.071 0.929 0.383 2.084     374.039     360.000       6.849    9 
-    240000       48000.00      41.263     -29.011      12.252   7.30 0.143 0.667 0.242 1.225     374.360     360.000       7.687    9 
-    250000       50000.00      48.580      -8.108      40.472   5.12 0.214 0.700 0.423 1.310     440.747     360.000       7.469    9 
-    260000       52000.00      45.755     -16.048      29.707   5.96 0.143 0.714 0.455 2.122     415.109     360.000       7.622    9 
-    270000       54000.00      49.342      -7.806      41.536   6.37 0.214 0.667 0.308 2.118     447.657     360.000       8.428    9 
-    280000       56000.00      38.199      -2.217      35.983   6.92 0.071 0.909 0.471 2.014     346.565     360.000       6.991    9 
-    290000       58000.00      48.304     -12.346      35.958   6.73 0.000 1.000 0.364 2.772     438.240     360.000       7.615    9 
-    300000       60000.00      49.348      -7.406      41.942   7.46 0.071 0.889 0.419 2.979     447.711     360.000       7.049    9 
-    310000       62000.00      33.382     -20.648      12.734   5.53 0.071 0.857 0.474 0.888     302.862     350.000       7.606    9 
-    320000       64000.00      27.001     -18.878       8.123   6.01 0.000 1.000 0.636 1.315     244.964     350.000       8.169    9 
-    330000       66000.00      43.717     -15.709      28.008   6.75 0.071 0.857 0.312 1.157     396.625     350.000       9.397    9 
-    340000       68000.00      39.189     -15.228      23.961   6.96 0.071 0.857 0.364 1.836     355.540     350.000       8.252    9 
-    350000       70000.00      40.677     -10.119      30.558   5.24 0.143 0.833 0.352 2.328     369.040     350.000       7.246    9 
-    360000       72000.00      39.621      -9.555      30.066   5.30 0.143 0.778 0.273 1.777     359.459     350.000       7.232    9 
-    370000       74000.00      48.071     -19.716      28.355   5.64 0.143 0.750 0.375 2.228     436.126     350.000       7.322    9 
-    380000       76000.00      38.610     -14.111      24.500   6.99 0.143 0.714 0.312 3.934     350.292     350.000       7.898    9 
-    390000       78000.00      38.920     -18.075      20.845   5.77 0.000 1.000 0.429 1.492     353.106     350.000       8.130    9 
-    400000       80000.00      43.304     -17.210      26.093   5.33 0.143 0.600 0.527 1.824     392.872     350.000       8.110    9 
-    410000       82000.00      46.978      -6.598      40.380   5.37 0.214 0.700 0.286 3.074     426.205     400.000       7.339    9 
-    420000       84000.00      52.906     -11.661      41.245   7.42 0.143 0.667 0.159 2.635     479.994     400.000       8.162    9 
-    430000       86000.00      46.291     -14.930      31.361   7.01 0.214 0.500 0.242 1.340     419.974     400.000       8.265    9 
-    440000       88000.00      52.751      -0.503      52.248   5.80 0.143 0.600 0.336 1.607     478.581     400.000       7.814    9 
-    450000       90000.00      49.293     -14.307      34.987   4.87 0.143 0.778 0.333 1.556     447.212     400.000       8.016    9 
-    460000       92000.00      46.140     -15.528      30.611   5.29 0.071 0.800 0.436 1.983     418.602     400.000       8.216    9 
-    470000       94000.00      54.147     -13.683      40.464   5.72 0.000 1.000 0.491 1.688     491.250     400.000       7.759    9 
-    480000       96000.00      46.081      -8.833      37.249   5.35 0.000 1.000 0.606 2.623     418.073     400.000       9.066    9 
-    490000       98000.00      46.718      -3.884      42.834   5.05 0.000 1.000 0.250 2.498     423.852     400.000       9.999    9 
-    500000      100000.00      32.390      -5.001      27.388   7.45 0.071 0.500 0.159 1.301     293.855     400.000      11.957    9 
-    510000      102000.00      69.459       4.191      73.650   5.66 0.000 1.000 0.352 2.455     630.166     400.000       9.581    9 
-    520000      104000.00      46.581      -9.854      36.727   5.68 0.000 1.000 0.712 1.724     422.611     400.000       9.104    9 
-    530000      106000.00      45.482     -15.843      29.639   4.90 0.429 0.333 0.263 2.053     412.640     400.000       8.250    9 
-    540000      108000.00      50.743     -20.326      30.417   5.43 0.143 0.600 0.518 1.041     460.363     400.000       7.993    9 
-    550000      110000.00      53.519     -12.140      41.379   6.41 0.214 0.400 0.155 1.447     485.553     400.000       9.571    9 
-    560000      112000.00      40.193      -4.874      35.319   5.53 0.143 0.714 0.338 2.370     364.650     400.000       8.654    9 
-    570000      114000.00      47.429      -2.841      44.588   6.77 0.000 1.000 0.318 2.320     430.303     400.000       8.396    9 
-    580000      116000.00      39.567     -20.609      18.957   6.67 0.143 0.818 0.442 1.604     358.968     400.000       7.285    9 
-    590000      118000.00      39.797     -12.952      26.845   5.79 0.071 0.667 0.379 1.622     361.059     400.000       8.447    9 
-    600000      120000.00      54.645     -10.619      44.026   6.33 0.000 1.000 0.326 2.380     495.770     400.000       7.454    9 
-    610000      122000.00      49.131      -3.754      45.376   6.43 0.000 1.000 0.545 3.060     445.738     390.000       7.816    9 
-    620000      124000.00      38.512      -0.089      38.424   6.71 0.000 1.000 0.455 2.209     349.403     390.000       9.772    9 
-    630000      126000.00      55.118       8.057      63.175   5.52 0.000   NaN   NaN 2.937     500.058     390.000       8.029    9 
-    640000      128000.00      47.175     -18.594      28.581   5.34 0.071 0.889 0.434 2.239     427.995     390.000       7.181    9 
-    650000      130000.00      38.758       8.355      47.112   6.11 0.071 0.800 0.473 4.797     351.630     390.000       8.475    9 
-    660000      132000.00      45.031      -8.004      37.027   5.10 0.071 0.857 0.500 2.311     408.544     390.000       8.056    9 
-    670000      134000.00      44.078     -16.834      27.244   5.06 0.214 0.571 0.351 1.696     399.897     390.000       7.381    9 
-    680000      136000.00      44.073      -9.225      34.847   4.52 0.071 0.800 0.409 2.223     399.850     390.000       8.471    9 
-    690000      138000.00      52.088     -20.162      31.926   4.87 0.143 0.667 0.523 1.602     472.566     390.000       7.436    9 
-    700000      140000.00      49.412     -10.391      39.021   4.64 0.000 1.000 0.330 3.349     448.293     390.000       8.008    9 
-    710000      142000.00      47.122     -21.744      25.378   4.14 0.286 0.600 0.300 2.526     427.517     380.000       7.208    9 
-    720000      144000.00      49.516      -9.609      39.907   4.78 0.000 1.000 0.375 1.034     449.233     380.000       7.613    9 
-    730000      146000.00      61.412     -10.940      50.472   5.78 0.143 0.500 0.182 3.117     557.157     380.000       9.503    9 
-    740000      148000.00      38.212     -13.641      24.572   8.22 0.000 1.000 0.273 1.439     346.682     380.000      10.551    9 
-    750000      150000.00      38.642      -6.148      32.494   6.18 0.071 0.000 0.136 2.095     350.579     380.000      10.402    9 
-    760000      152000.00      38.427     -19.097      19.330   3.92 0.357 0.615 0.381 3.790     348.629     380.000       7.763    9 
-    770000      154000.00      53.922     -15.847      38.075   5.41 0.071 0.750 0.307 1.954     489.206     380.000       8.874    9 
-    780000      156000.00      40.915       2.860      43.775   5.75 0.000   NaN   NaN 2.988     371.201     380.000       8.832    9 
-    790000      158000.00      36.790      -3.311      33.479   6.25 0.071 0.800 0.227 1.164     333.774     380.000       8.234    9 
-    800000      160000.00      41.590     -24.602      16.988   6.69 0.286 0.600 0.264 2.576     377.329     380.000       8.387    9 
-    810000      162000.00      44.092     -12.446      31.646   8.16 0.214 0.500 0.227 1.883     400.025     370.000      10.571    9 
-    820000      164000.00      43.335     -16.079      27.256   8.11 0.071 0.667 0.258 3.856     393.157     370.000      10.202    9 
-    830000      166000.00      42.485     -22.166      20.319   5.08 0.214 0.700 0.373 1.686     385.447     370.000       6.908    9 
-    840000      168000.00      30.739     -11.867      18.872   6.98 0.000 1.000 0.352 1.642     278.881     370.000       8.620    9 
-    850000      170000.00      43.910      -6.343      37.568   7.29 0.071 0.500 0.159 2.076     398.378     370.000      10.897    9 
-    860000      172000.00      53.034     -15.032      38.002   7.05 0.071 0.800 0.218 2.921     481.151     370.000      10.482    9 
-    870000      174000.00      41.328       4.539      45.867   7.00 0.000 1.000 0.209 2.676     374.947     370.000       9.261    9 
-    880000      176000.00      45.529       0.439      45.968  10.16 0.000   NaN   NaN 2.011     413.067     370.000      12.661    9 
-    890000      178000.00      37.268     -15.869      21.399   6.68 0.000 1.000 0.364 1.414     338.114     370.000       8.053    9 
-    900000      180000.00      41.902     -24.109      17.794   7.71 0.214 0.750 0.284 1.456     380.160     370.000       8.152    9 
-    910000      182000.00      37.928     -36.420       1.508   8.26 0.286 0.692 0.220 1.492     344.100     360.000       9.531    9 
-    920000      184000.00      39.524     -24.320      15.204   7.53 0.143 0.333 0.152 1.380     358.586     360.000      10.449    9 
-    930000      186000.00      34.948     -13.950      20.998   6.50 0.214 0.500 0.197 2.386     317.063     360.000       9.238    9 
-    940000      188000.00      46.774     -21.012      25.762   6.65 0.143 0.833 0.367 1.943     424.362     360.000       7.222    9 
-    950000      190000.00      39.866      -7.094      32.773   5.98 0.071 0.500 0.364 2.454     361.686     360.000       8.873    9 
-    960000      192000.00      47.218      -4.468      42.749   7.29 0.143 0.600 0.255 1.638     428.385     360.000       9.749    9 
-    970000      194000.00      54.294     -28.480      25.814   6.72 0.071 0.667 0.152 1.401     492.585     360.000       9.978    9 
-    980000      196000.00      50.226     -16.029      34.198   6.81 0.000 1.000 0.182 4.580     455.680     360.000       9.658    9 
-    990000      198000.00      32.221     -10.166      22.056   7.50 0.071 0.000 0.136 1.803     292.330     360.000      10.127    9 
-   1000000      200000.00      47.215      -5.778      41.437   6.28 0.071 0.667 0.167 2.543     428.359     360.000      10.839    9 
+         0           0.00      30.936      24.626      55.562  12.87 0.000   NaN   NaN 0.706     280.667     340.000      15.552    9 
+     10000        2000.00      38.207      -8.586      29.621  11.04 0.000   NaN   NaN 1.251     346.633     340.000      14.467    9 
+     20000        4000.00      54.222       0.115      54.337  10.26 0.143 0.000 0.205 3.487     491.929     340.000      13.222    9 
+     30000        6000.00      37.209     -11.184      26.025  10.19 0.071 0.667 0.182 2.214     337.576     340.000      13.410    9 
+     40000        8000.00      47.065     -16.315      30.750  10.52 0.000 1.000 0.136 1.135     426.996     340.000      13.774    9 
+     50000       10000.00      38.057       8.224      46.281   7.68 0.143 0.500 0.170 2.145     345.276     340.000      11.116    9 
+     60000       12000.00      41.041     -13.028      28.013   5.49 0.071 0.800 0.236 1.443     372.349     340.000       7.113    9 
+     70000       14000.00      43.496     -17.915      25.581   6.90 0.143 0.818 0.351 1.718     394.620     340.000       6.759    9 
+     80000       16000.00      38.553      -7.075      31.478   5.12 0.143 0.600 0.264 1.527     349.774     340.000       7.624    9 
+     90000       18000.00      39.384     -24.850      14.534   5.52 0.214 0.727 0.322 0.953     357.310     340.000       7.563    9 
+    100000       20000.00      37.162     -14.443      22.719   5.16 0.286 0.600 0.382 1.587     337.152     340.000       6.668    9 
+    110000       22000.00      35.053     -25.804       9.249   2.76 0.357 0.375 0.358 1.712     318.020     330.000       7.260    9 
+    120000       24000.00      48.250     -27.998      20.252   2.61 0.357 0.286 0.292 1.771     437.748     330.000       6.714    9 
+    130000       26000.00      38.518     -14.557      23.962   4.66 0.214 0.500 0.242 1.240     349.459     330.000       8.020    9 
+    140000       28000.00      45.626     -11.051      34.575   3.91 0.214 0.500 0.280 3.150     413.943     330.000       8.037    9 
+    150000       30000.00      37.028     -27.444       9.584   3.88 0.214 0.571 0.188 2.037     335.936     330.000       8.395    9 
+    160000       32000.00      39.959       2.120      42.079   7.00 0.000 1.000 0.205 1.786     362.532     330.000      10.133    9 
+    170000       34000.00      44.250     -19.148      25.102   6.84 0.214 0.625 0.318 1.627     401.458     330.000       7.506    9 
+    180000       36000.00      33.655     -33.730      -0.075   5.02 0.143 0.846 0.406 2.415     305.334     330.000       6.790    9 
+    190000       38000.00      38.846     -43.339      -4.494   3.79 0.286 0.714 0.367 1.880     352.428     330.000       6.887    9 
+    200000       40000.00      30.606     -15.710      14.896   4.66 0.214 0.625 0.324 2.735     277.673     330.000       7.531    9 
+    210000       42000.00      39.572     -18.974      20.598   4.81 0.286 0.429 0.364 3.035     359.019     320.000       7.500    9 
+    220000       44000.00      36.337     -17.121      19.215   4.35 0.071 0.500 0.477 3.125     329.667     320.000       8.774    9 
+    230000       46000.00      57.309      -3.733      53.577   4.95 0.071 0.667 0.455 1.932     519.941     320.000       8.378    9 
+    240000       48000.00      44.504     -24.479      20.025   4.91 0.143 0.800 0.464 1.265     403.765     320.000       7.818    9 
+    250000       50000.00      34.216     -38.783      -4.567   4.39 0.071 0.889 0.379 1.671     310.427     320.000       7.807    9 
+    260000       52000.00      37.533     -13.307      24.226   4.26 0.143 0.333 0.136 1.251     340.520     320.000       8.877    9 
+    270000       54000.00      45.167     -27.746      17.421   3.76 0.286 0.556 0.460 1.003     409.781     320.000       6.940    9 
+    280000       56000.00      35.435     -26.707       8.728   5.14 0.286 0.667 0.341 3.198     321.486     320.000       7.226    9 
+    290000       58000.00      38.106     -30.613       7.493   5.62 0.214 0.769 0.322 1.871     345.719     320.000       6.789    9 
+    300000       60000.00      37.334     -29.382       7.952   5.86 0.214 0.769 0.336 1.846     338.712     320.000       7.061    9 
+    310000       62000.00      33.234     -30.068       3.167   4.61 0.357 0.375 0.176 2.977     301.519     310.000       7.242    9 
+    320000       64000.00      37.908     -34.775       3.133   4.53 0.143 0.800 0.295 1.230     343.925     310.000       7.239    9 
+    330000       66000.00      36.214     -33.370       2.844   4.45 0.143 0.800 0.245 2.621     328.552     310.000       7.291    9 
+    340000       68000.00      44.717     -19.049      25.669   4.06 0.143 0.714 0.253 2.383     405.700     310.000       7.660    9 
+    350000       70000.00      32.445     -23.979       8.465   5.33 0.214 0.667 0.192 1.416     294.354     310.000       8.170    9 
+    360000       72000.00      37.387     -28.975       8.412   4.27 0.357 0.583 0.405 1.678     339.190     310.000       7.310    9 
+    370000       74000.00      33.197     -29.521       3.677   4.71 0.143 0.750 0.324 1.575     301.184     310.000       7.162    9 
+    380000       76000.00      35.338     -22.966      12.372   4.86 0.214 0.812 0.327 1.567     320.606     310.000       6.931    9 
+    390000       78000.00      38.775     -25.737      13.039   5.59 0.071 0.800 0.355 2.068     351.788     310.000       7.140    9 
+    400000       80000.00      38.303     -30.615       7.688   6.70 0.286 0.636 0.285 1.367     347.503     310.000       7.276    9 
+    410000       82000.00      39.207     -20.776      18.431   6.50 0.286 0.667 0.348 1.353     355.708     300.000       6.669    9 
+    420000       84000.00      33.556     -38.079      -4.523   7.32 0.357 0.583 0.193 2.275     304.433     300.000       7.854    9 
+    430000       86000.00      23.609     -19.574       4.035   6.08 0.143 0.778 0.202 0.852     214.190     300.000       7.503    9 
+    440000       88000.00      28.361     -27.995       0.366   5.39 0.000 1.000 0.182 1.490     257.308     300.000       7.316    9 
+    450000       90000.00      37.587     -37.217       0.370   5.47 0.214 0.625 0.273 2.425     341.009     300.000       7.078    9 
+    460000       92000.00      39.199     -30.365       8.834   4.99 0.286 0.600 0.300 1.840     355.630     300.000       7.077    9 
+    470000       94000.00      35.659     -31.522       4.137   7.14 0.214 0.800 0.252 2.900     323.515     300.000       6.938    9 
+    480000       96000.00      30.542     -35.702      -5.160   6.18 0.357 0.583 0.269 0.938     277.092     300.000       6.818    9 
+    490000       98000.00      36.898     -31.254       5.644   5.80 0.286 0.636 0.248 0.703     334.757     300.000       6.756    9 
+    500000      100000.00      27.265     -26.812       0.453   6.13 0.143 0.833 0.242 2.329     247.359     300.000       6.859    9 
+    510000      102000.00      39.989     -34.845       5.144   6.01 0.143 0.800 0.386 1.537     362.798     320.000       7.109    9 
+    520000      104000.00      46.909     -35.074      11.835   4.81 0.214 0.769 0.329 1.176     425.578     320.000       7.397    9 
+    530000      106000.00      46.042     -18.531      27.512   5.16 0.286 0.500 0.273 1.078     417.720     320.000       7.157    9 
+    540000      108000.00      37.716     -17.861      19.854   4.82 0.214 0.625 0.216 1.269     342.178     320.000       6.752    9 
+    550000      110000.00      30.724     -27.060       3.664   4.69 0.143 0.750 0.284 1.909     278.747     320.000       7.565    9 
+    560000      112000.00      32.087     -15.608      16.479   6.06 0.286 0.500 0.358 2.348     291.107     320.000       7.726    9 
+    570000      114000.00      31.421     -18.581      12.840   4.89 0.214 0.000 0.273 3.285     285.072     320.000       7.871    9 
+    580000      116000.00      39.234     -20.171      19.063   5.16 0.071 0.833 0.311 1.921     355.951     320.000       6.822    9 
+    590000      118000.00      33.513     -29.921       3.592   4.98 0.214 0.727 0.376 2.375     304.044     320.000       6.859    9 
+    600000      120000.00      32.433     -35.135      -2.702   5.72 0.143 0.778 0.434 1.303     294.250     320.000       7.238    9 
+    610000      122000.00      36.614     -29.568       7.046   6.49 0.143 0.750 0.290 0.889     332.182     310.000       7.226    9 
+    620000      124000.00      29.833     -32.821      -2.988   6.22 0.214 0.800 0.358 2.491     270.665     310.000       6.720    9 
+    630000      126000.00      40.703     -23.515      17.189   5.80 0.143 0.846 0.287 2.809     369.282     310.000       7.098    9 
+    640000      128000.00      36.812     -12.463      24.349   5.46 0.143 0.667 0.326 4.145     333.979     310.000       7.197    9 
+    650000      130000.00      28.203     -21.692       6.511   5.08 0.214 0.625 0.278 1.846     255.869     310.000       7.943    9 
+    660000      132000.00      40.832     -25.594      15.238   4.64 0.286 0.333 0.303 2.324     370.450     310.000       7.721    9 
+    670000      134000.00      39.760     -23.099      16.661   4.25 0.286 0.600 0.291 1.778     360.720     310.000       7.570    9 
+    680000      136000.00      37.360     -23.802      13.558   4.73 0.357 0.375 0.244 2.699     338.945     310.000       7.681    9 
+    690000      138000.00      38.667     -16.834      21.834   5.11 0.000 1.000 0.295 1.975     350.811     310.000       8.644    9 
+    700000      140000.00      44.340     -26.177      18.163   4.85 0.214 0.500 0.333 1.690     402.273     310.000       8.535    9 
+    710000      142000.00      30.659     -32.121      -1.462   4.18 0.286 0.333 0.197 1.041     278.157     330.000       8.699    9 
+    720000      144000.00      31.897     -18.254      13.643   4.69 0.000 1.000 0.159 2.357     289.386     330.000       8.741    9 
+    730000      146000.00      40.869     -10.559      30.310   4.49 0.286 0.429 0.370 3.068     370.784     330.000       7.724    9 
+    740000      148000.00      36.427     -20.553      15.875   4.62 0.143 0.750 0.335 3.634     330.487     330.000       7.620    9 
+    750000      150000.00      41.261     -24.312      16.949   4.28 0.214 0.400 0.355 2.077     374.342     330.000       7.860    9 
+    760000      152000.00      37.904      -5.163      32.742   4.22 0.143 0.667 0.348 1.815     343.888     330.000       7.618    9 
+    770000      154000.00      36.925     -26.050      10.875   5.01 0.286 0.600 0.395 1.089     334.998     330.000       7.666    9 
+    780000      156000.00      44.779     -20.400      24.379   4.96 0.143 0.500 0.352 1.811     406.261     330.000       7.773    9 
+    790000      158000.00      38.184     -22.757      15.427   4.86 0.143 0.778 0.414 2.113     346.427     330.000       7.604    9 
+    800000      160000.00      33.392     -22.032      11.360   5.76 0.214 0.667 0.354 1.765     302.948     330.000       6.910    9 
+    810000      162000.00      28.425     -31.630      -3.205   5.30 0.286 0.600 0.395 1.856     257.887     320.000       7.280    9 
+    820000      164000.00      40.632     -21.855      18.777   4.81 0.286 0.500 0.330 2.206     368.638     320.000       7.379    9 
+    830000      166000.00      34.997     -20.364      14.633   4.24 0.286 0.556 0.460 1.315     317.508     320.000       7.713    9 
+    840000      168000.00      41.531     -35.955       5.576   4.86 0.286 0.714 0.494 0.720     376.794     320.000       7.207    9 
+    850000      170000.00      31.375     -18.947      12.428   4.11 0.357 0.545 0.335 2.269     284.650     320.000       6.992    9 
+    860000      172000.00      38.279     -26.474      11.805   5.41 0.214 0.625 0.472 1.886     347.286     320.000       7.773    9 
+    870000      174000.00      39.120     -33.698       5.422   4.86 0.357 0.583 0.500 2.119     354.915     320.000       7.685    9 
+    880000      176000.00      37.399     -26.554      10.844   4.75 0.357 0.545 0.326 2.270     339.300     320.000       7.411    9 
+    890000      178000.00      46.452      -3.667      42.785   4.68 0.214 0.571 0.403 3.141     421.436     320.000       7.427    9 
+    900000      180000.00      38.702     -23.209      15.493   5.33 0.214 0.667 0.399 1.358     351.126     320.000       7.419    9 
+    910000      182000.00      38.516     -21.699      16.817   4.91 0.286 0.714 0.344 2.516     349.439     370.000       6.942    9 
+    920000      184000.00      64.201     -13.074      51.126   5.78 0.143 0.750 0.318 2.176     582.462     370.000       9.028    9 
+    930000      186000.00      37.757     -23.490      14.268   3.86 0.214 0.700 0.409 1.311     342.556     370.000       6.904    9 
+    940000      188000.00      44.035     -13.575      30.460   6.75 0.071 0.833 0.356 2.309     399.510     370.000       8.497    9 
+    950000      190000.00      35.922     -12.725      23.196   4.86 0.071 0.667 0.182 1.679     325.900     370.000       8.342    9 
+    960000      192000.00      41.562       0.301      41.863   5.09 0.000 1.000 0.227 1.795     377.069     370.000       8.941    9 
+    970000      194000.00      44.731      -2.376      42.354   4.67 0.071 0.750 0.364 1.387     405.818     370.000       8.519    9 
+    980000      196000.00      45.879       5.907      51.786   5.40 0.000 1.000 0.273 2.561     416.238     370.000      10.232    9 
+    990000      198000.00      56.980      -6.195      50.785   5.49 0.071 0.800 0.218 1.661     516.950     370.000       8.210    9 
+   1000000      200000.00      43.632       1.323      44.955   7.40 0.000 1.000 0.273 2.024     395.849     370.000      10.163    9 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB010.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB010.stat
index 476f154..e454a7a 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB010.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB010.stat
@@ -1,101 +1,101 @@
-         0           0.00      49.436      20.978      70.414  12.87 0.000   NaN   NaN 0.932     448.513     350.000      15.552   10 
-     10000        2000.00      54.096     -16.831      37.266   9.60 0.000   NaN   NaN 2.997     490.791     350.000      13.778   10 
-     20000        4000.00      38.259      -1.408      36.852  11.03 0.000 1.000 0.136 1.678     347.110     350.000      14.734   10 
-     30000        6000.00      42.868     -16.992      25.876   8.58 0.071 0.667 0.197 1.729     388.921     350.000      12.506   10 
-     40000        8000.00      36.470      -7.994      28.476  10.11 0.000 1.000 0.227 1.574     330.875     350.000      13.603   10 
-     50000       10000.00      41.661       0.243      41.905   7.26 0.143 0.333 0.152 2.241     377.974     350.000      10.233   10 
-     60000       12000.00      45.967     -17.049      28.917   6.22 0.143 0.500 0.148 1.391     417.033     350.000       9.617   10 
-     70000       14000.00      36.879     -14.869      22.010   7.35 0.071 0.800 0.164 2.385     334.584     350.000       9.233   10 
-     80000       16000.00      48.100     -23.978      24.122   7.04 0.143 0.800 0.300 2.234     436.384     350.000       7.287   10 
-     90000       18000.00      40.537      -7.699      32.839   6.68 0.143 0.667 0.273 2.492     367.775     350.000       7.491   10 
-    100000       20000.00      41.859     -21.490      20.368   7.18 0.143 0.750 0.233 2.049     379.763     350.000       7.840   10 
-    110000       22000.00      35.326     -19.569      15.757   4.61 0.214 0.769 0.437 1.520     320.499     340.000       6.978   10 
-    120000       24000.00      50.698     -28.941      21.757   3.94 0.071 0.857 0.357 1.984     459.961     340.000       7.523   10 
-    130000       26000.00      52.086     -24.969      27.118   5.10 0.143 0.800 0.355 2.441     472.555     340.000       8.174   10 
-    140000       28000.00      42.577     -16.079      26.498   7.06 0.071 0.833 0.364 1.260     386.280     340.000       9.786   10 
-    150000       30000.00      46.096     -27.279      18.817   6.07 0.143 0.714 0.357 1.543     418.206     340.000       7.466   10 
-    160000       32000.00      43.341     -18.056      25.285   5.62 0.143 0.833 0.307 2.071     393.216     340.000       7.276   10 
-    170000       34000.00      37.983     -13.751      24.232   4.82 0.214 0.769 0.399 3.101     344.602     340.000       6.998   10 
-    180000       36000.00      43.272     -19.150      24.123   4.86 0.143 0.800 0.514 2.713     392.590     340.000       7.557   10 
-    190000       38000.00      38.216     -14.148      24.068   6.16 0.143 0.714 0.188 1.605     346.713     340.000       7.171   10 
-    200000       40000.00      36.281     -40.780      -4.499   3.50 0.143 0.846 0.357 2.238     329.160     340.000       6.789   10 
-    210000       42000.00      34.740     -31.888       2.853   3.37 0.286 0.765 0.369 1.552     315.182     330.000       6.538   10 
-    220000       44000.00      40.351     -39.966       0.385   3.21 0.286 0.600 0.386 3.395     366.086     330.000       6.978   10 
-    230000       46000.00      35.101     -27.737       7.364   2.86 0.286 0.500 0.250 2.996     318.453     330.000       7.428   10 
-    240000       48000.00      33.227     -23.031      10.195   2.90 0.143 0.750 0.415 2.192     301.450     330.000       7.234   10 
-    250000       50000.00      35.922     -33.789       2.133   3.76 0.357 0.500 0.432 1.787     325.904     330.000       6.579   10 
-    260000       52000.00      39.171     -38.988       0.183   3.74 0.357 0.643 0.334 2.649     355.375     330.000       6.736   10 
-    270000       54000.00      42.263     -27.835      14.428   2.92 0.214 0.750 0.307 2.371     383.435     330.000       6.568   10 
-    280000       56000.00      34.595     -34.182       0.413   3.22 0.357 0.667 0.394 1.740     313.865     330.000       6.648   10 
-    290000       58000.00      38.104     -25.859      12.245   5.00 0.071 0.889 0.263 4.215     345.697     330.000       7.265   10 
-    300000       60000.00      46.253     -13.245      33.009   7.29 0.071 0.900 0.286 1.835     419.635     330.000       7.006   10 
-    310000       62000.00      58.993      -4.303      54.689   7.20 0.071 0.667 0.197 4.058     535.213     370.000      10.389   10 
-    320000       64000.00      34.367     -17.387      16.980   5.25 0.143 0.500 0.250 2.965     311.797     370.000       6.741   10 
-    330000       66000.00      53.861     -13.057      40.804   4.82 0.071 0.800 0.382 2.365     488.654     370.000       7.151   10 
-    340000       68000.00      38.107     -17.316      20.790   5.83 0.071 0.800 0.255 2.909     345.723     370.000       8.578   10 
-    350000       70000.00      53.342     -15.270      38.073   5.59 0.143 0.667 0.492 2.945     483.949     370.000       7.260   10 
-    360000       72000.00      45.920     -17.338      28.581   6.27 0.071 0.833 0.333 1.152     416.606     370.000       9.076   10 
-    370000       74000.00      50.680     -10.247      40.433   6.51 0.000 1.000 0.545 1.610     459.799     370.000       9.309   10 
-    380000       76000.00      47.093     -10.127      36.966   5.84 0.000 1.000 0.500 1.143     427.256     370.000       8.488   10 
-    390000       78000.00      41.448     -11.069      30.380   6.12 0.143 0.714 0.403 1.746     376.038     370.000       7.413   10 
-    400000       80000.00      42.534     -16.296      26.238   5.86 0.357 0.583 0.409 3.435     385.892     370.000       7.160   10 
-    410000       82000.00      44.737     -14.985      29.752   6.18 0.143 0.714 0.429 3.115     405.874     360.000       7.458   10 
-    420000       84000.00      42.636     -11.187      31.449   5.40 0.000 1.000 0.443 4.807     386.818     360.000       8.919   10 
-    430000       86000.00      47.668     -11.792      35.876   5.20 0.071 0.750 0.614 1.505     432.466     360.000       9.708   10 
-    440000       88000.00      32.924     -13.206      19.717   5.82 0.071 0.667 0.439 1.318     298.701     360.000       8.791   10 
-    450000       90000.00      53.609       5.613      59.222   4.45 0.071 0.667 0.333 1.436     486.367     360.000       8.369   10 
-    460000       92000.00      40.391       0.338      40.729   4.99 0.071 0.667 0.288 2.310     366.445     360.000       9.114   10 
-    470000       94000.00      39.636     -21.692      17.944   4.79 0.214 0.667 0.258 3.266     359.601     360.000       8.635   10 
-    480000       96000.00      49.175     -22.487      26.689   5.58 0.143 0.778 0.364 1.611     446.142     360.000       7.167   10 
-    490000       98000.00      34.378      -9.328      25.049   5.90 0.071 0.857 0.344 1.126     311.894     360.000       7.473   10 
-    500000      100000.00      40.973     -19.761      21.212   5.76 0.000 1.000 0.318 1.406     371.726     360.000       8.631   10 
-    510000      102000.00      41.662     -28.014      13.648   6.01 0.214 0.700 0.409 1.893     377.978     350.000       7.361   10 
-    520000      104000.00      39.478     -16.363      23.115   6.03 0.214 0.625 0.420 1.936     358.163     350.000       7.302   10 
-    530000      106000.00      45.805     -22.342      23.463   6.04 0.071 0.667 0.470 1.226     415.564     350.000       7.607   10 
-    540000      108000.00      37.204     -17.894      19.310   6.40 0.000 1.000 0.371 0.899     337.538     350.000       7.846   10 
-    550000      110000.00      36.598     -17.554      19.043   6.06 0.071 0.667 0.500 2.050     332.032     350.000       7.639   10 
-    560000      112000.00      44.024     -22.755      21.269   6.12 0.214 0.750 0.436 2.624     399.409     350.000       7.098   10 
-    570000      114000.00      41.469     -17.367      24.101   6.08 0.143 0.750 0.568 1.208     376.224     350.000       7.026   10 
-    580000      116000.00      34.015      -0.609      33.407   6.16 0.000 1.000 0.227 1.692     308.605     350.000       8.802   10 
-    590000      118000.00      38.957      -1.214      37.744   7.05 0.000 1.000 0.330 1.431     353.443     350.000       9.148   10 
-    600000      120000.00      39.166     -35.263       3.904   7.14 0.071 0.889 0.308 1.393     355.335     350.000       7.026   10 
-    610000      122000.00      44.445     -19.511      24.934   6.97 0.214 0.727 0.293 2.057     403.232     340.000       6.842   10 
-    620000      124000.00      37.609     -20.590      17.019   5.96 0.143 0.778 0.268 1.337     341.207     340.000       7.771   10 
-    630000      126000.00      39.841     -23.346      16.495   5.99 0.143 0.600 0.218 1.695     361.460     340.000       9.112   10 
-    640000      128000.00      36.821     -36.165       0.656   5.60 0.143 0.750 0.250 1.322     334.057     340.000       7.306   10 
-    650000      130000.00      33.307     -29.128       4.179   6.39 0.143 0.800 0.282 2.620     302.180     340.000       7.176   10 
-    660000      132000.00      36.148     -28.238       7.910   7.21 0.214 0.750 0.341 0.801     327.956     340.000       6.805   10 
-    670000      134000.00      42.309     -20.407      21.902   6.50 0.143 0.778 0.278 1.836     383.845     340.000       7.123   10 
-    680000      136000.00      37.615     -15.159      22.456   5.21 0.214 0.500 0.364 1.795     341.259     340.000       7.824   10 
-    690000      138000.00      45.296     -21.376      23.920   4.97 0.214 0.571 0.545 1.475     410.949     340.000       8.277   10 
-    700000      140000.00      34.099     -22.850      11.249   5.26 0.143 0.600 0.282 3.912     309.364     340.000       8.641   10 
-    710000      142000.00      38.869      -6.962      31.907   5.74 0.143 0.333 0.439 1.985     352.641     390.000       9.999   10 
-    720000      144000.00      61.738      -9.276      52.463   5.54 0.000 1.000 0.515 1.502     560.120     390.000       8.553   10 
-    730000      146000.00      44.335      -8.421      35.915   5.91 0.000 1.000 0.398 2.198     402.234     390.000       8.458   10 
-    740000      148000.00      42.475      -0.955      41.520   4.78 0.000 1.000 0.439 2.255     385.359     390.000       8.637   10 
-    750000      150000.00      50.096     -12.241      37.855   5.57 0.000 1.000 0.455 2.032     454.499     390.000       9.061   10 
-    760000      152000.00      38.851     -13.782      25.069   5.96 0.143 0.600 0.627 1.607     352.476     390.000       8.908   10 
-    770000      154000.00      33.053     -10.738      22.315   5.81 0.143 0.667 0.417 2.538     299.874     390.000       7.969   10 
-    780000      156000.00      51.627      -3.598      48.029   8.14 0.071 0.500 0.159 1.522     468.385     390.000      11.528   10 
-    790000      158000.00      40.544       9.849      50.392   8.30 0.071 0.667 0.242 1.379     367.834     390.000      10.782   10 
-    800000      160000.00      46.787      -7.443      39.344   7.05 0.071 0.500 0.182 1.470     424.474     390.000      10.492   10 
-    810000      162000.00      61.204       0.678      61.882   9.99 0.000   NaN   NaN 1.525     555.270     400.000      13.970   10 
-    820000      164000.00      48.968      -4.217      44.751   8.33 0.000   NaN   NaN 1.878     444.265     400.000      12.762   10 
-    830000      166000.00      62.925      28.857      91.781   5.83 0.000   NaN   NaN 2.515     570.885     400.000      10.944   10 
-    840000      168000.00      43.729      -8.933      34.796   9.04 0.071 0.500 0.182 1.578     396.730     400.000      13.131   10 
-    850000      170000.00      55.646      15.143      70.789   9.21 0.000   NaN   NaN 2.346     504.846     400.000      13.916   10 
-    860000      172000.00      51.661      -0.444      51.217   9.54 0.071 0.000 0.136 2.562     468.696     400.000      13.042   10 
-    870000      174000.00      60.950     -17.827      43.122   9.56 0.000   NaN   NaN 0.893     552.966     400.000      12.460   10 
-    880000      176000.00      37.873       8.658      46.531  12.86 0.000   NaN   NaN 2.907     343.601     400.000      15.782   10 
-    890000      178000.00      49.138       5.593      54.730  12.06 0.000   NaN   NaN 1.663     445.803     400.000      15.979   10 
-    900000      180000.00      48.699       9.654      58.353  11.32 0.000   NaN   NaN 1.571     441.823     400.000      15.268   10 
-    910000      182000.00      44.966       0.627      45.594  11.88 0.071 0.000 0.136 2.858     407.958     390.000      14.992   10 
-    920000      184000.00      34.417     -13.879      20.537   8.67 0.214 0.400 0.173 1.970     312.248     390.000      10.382   10 
-    930000      186000.00      38.752       6.900      45.652   7.33 0.071 0.750 0.205 2.493     351.578     390.000      11.534   10 
-    940000      188000.00      52.346       5.824      58.170   6.59 0.000   NaN   NaN 3.139     474.913     390.000      11.783   10 
-    950000      190000.00      39.573      -4.869      34.704   6.30 0.071 0.000 0.136 2.562     359.025     390.000      11.408   10 
-    960000      192000.00      38.333      -7.599      30.734   4.76 0.071 0.000 0.136 1.570     347.777     390.000       9.582   10 
-    970000      194000.00      39.238      -5.070      34.168   4.86 0.000 1.000 0.182 1.761     355.986     390.000       9.238   10 
-    980000      196000.00      37.340       4.328      41.668   5.73 0.143 0.333 0.182 1.565     338.769     390.000      10.267   10 
-    990000      198000.00      46.138     -11.236      34.902   6.30 0.071 0.500 0.182 1.507     418.586     390.000       9.925   10 
-   1000000      200000.00      39.103     -12.795      26.307   8.54 0.000   NaN   NaN 2.215     354.758     390.000      12.520   10 
+         0           0.00      40.911      24.593      65.504  12.87 0.000   NaN   NaN 0.708     371.162     350.000      15.552   10 
+     10000        2000.00      48.718      -4.695      44.022  12.31 0.000   NaN   NaN 2.724     441.992     350.000      16.463   10 
+     20000        4000.00      31.639      -9.259      22.380  10.07 0.000   NaN   NaN 1.205     287.043     350.000      14.371   10 
+     30000        6000.00      39.119     -20.432      18.687   9.15 0.000 1.000 0.258 1.429     354.907     350.000      13.011   10 
+     40000        8000.00      39.902       7.947      47.849   9.96 0.000 1.000 0.227 1.531     362.009     350.000      13.694   10 
+     50000       10000.00      38.258     -14.752      23.506   5.27 0.143 0.750 0.267 1.659     347.100     350.000       8.877   10 
+     60000       12000.00      35.838       0.423      36.261   7.80 0.071 0.500 0.205 3.506     325.138     350.000      12.119   10 
+     70000       14000.00      41.434      -3.988      37.447   7.40 0.071 0.667 0.167 2.503     375.913     350.000      11.111   10 
+     80000       16000.00      48.520      -9.025      39.495   7.79 0.071 0.500 0.227 1.350     440.195     350.000      11.460   10 
+     90000       18000.00      52.983     -12.752      40.231   7.12 0.071 0.667 0.258 2.856     480.686     350.000      10.502   10 
+    100000       20000.00      48.508       0.055      48.563  10.96 0.143 0.333 0.182 2.282     440.088     350.000      13.700   10 
+    110000       22000.00      35.223     -12.501      22.722   6.29 0.143 0.000 0.136 1.134     319.560     340.000      10.440   10 
+    120000       24000.00      36.654      -1.105      35.549   8.52 0.143 0.333 0.152 2.818     332.545     340.000      11.458   10 
+    130000       26000.00      28.521      -5.705      22.815   7.52 0.071 0.667 0.167 2.465     258.753     340.000      11.347   10 
+    140000       28000.00      39.139     -10.284      28.855   7.30 0.000 1.000 0.318 0.973     355.088     340.000      10.615   10 
+    150000       30000.00      44.108      -7.965      36.144   7.54 0.000   NaN   NaN 1.924     400.175     340.000       9.906   10 
+    160000       32000.00      32.576      -1.306      31.270   7.70 0.000 1.000 0.250 2.024     295.543     340.000       9.955   10 
+    170000       34000.00      41.542       2.846      44.388   8.13 0.000 1.000 0.307 3.480     376.890     340.000      10.128   10 
+    180000       36000.00      36.905       0.469      37.374   8.42 0.000 1.000 0.284 1.256     334.822     340.000      11.841   10 
+    190000       38000.00      46.807     -19.395      27.411   7.19 0.000 1.000 0.189 1.277     424.653     340.000       8.690   10 
+    200000       40000.00      44.578      -8.264      36.315   6.36 0.000 1.000 0.164 2.008     404.436     340.000       8.708   10 
+    210000       42000.00      43.200     -19.993      23.207   6.21 0.143 0.800 0.318 1.377     391.934     330.000       7.238   10 
+    220000       44000.00      34.778     -29.639       5.139   5.84 0.214 0.625 0.335 4.146     315.520     330.000       7.343   10 
+    230000       46000.00      41.710     -12.318      29.392   5.02 0.143 0.667 0.167 1.660     378.412     330.000       8.425   10 
+    240000       48000.00      31.807     -26.802       5.005   5.22 0.071 0.900 0.355 2.359     288.567     330.000       7.124   10 
+    250000       50000.00      36.636     -27.797       8.839   5.99 0.286 0.600 0.318 1.335     332.378     330.000       6.853   10 
+    260000       52000.00      47.519     -14.510      33.009   4.05 0.286 0.000 0.295 3.356     431.115     330.000       8.831   10 
+    270000       54000.00      38.622      -8.128      30.494   4.88 0.143 0.667 0.326 1.777     350.398     330.000       8.218   10 
+    280000       56000.00      33.516     -22.870      10.646   5.96 0.143 0.714 0.461 2.759     304.075     330.000       7.855   10 
+    290000       58000.00      43.394     -17.018      26.376   5.76 0.000 1.000 0.386 2.105     393.697     330.000       8.535   10 
+    300000       60000.00      35.707      -9.028      26.679   6.86 0.000 1.000 0.205 2.725     323.952     330.000       8.488   10 
+    310000       62000.00      35.860     -15.826      20.035   7.80 0.000 1.000 0.341 1.229     325.343     340.000       9.752   10 
+    320000       64000.00      36.585       3.792      40.377   7.07 0.071 0.667 0.182 2.089     331.917     340.000      10.770   10 
+    330000       66000.00      44.032     -10.475      33.557   7.80 0.000 1.000 0.227 1.750     399.486     340.000      11.047   10 
+    340000       68000.00      35.015      -2.687      32.328   6.64 0.000 1.000 0.273 1.030     317.672     340.000       9.490   10 
+    350000       70000.00      36.780      -1.396      35.384   8.26 0.071 0.500 0.136 1.544     333.688     340.000      11.731   10 
+    360000       72000.00      42.554       5.958      48.511  11.01 0.071 0.667 0.182 3.192     386.069     340.000      13.606   10 
+    370000       74000.00      44.590      -0.474      44.116  11.71 0.000   NaN   NaN 1.842     404.545     340.000      14.780   10 
+    380000       76000.00      42.872      -0.411      42.461  11.21 0.000 1.000 0.182 1.151     388.958     340.000      14.806   10 
+    390000       78000.00      36.639      -0.819      35.820  12.61 0.071 0.000 0.136 2.016     332.407     340.000      16.406   10 
+    400000       80000.00      35.482      -1.202      34.280  13.03 0.071 0.000 0.136 2.805     321.914     340.000      16.422   10 
+    410000       82000.00      37.701      -2.033      35.667  14.06 0.000   NaN   NaN 1.437     342.040     330.000      17.011   10 
+    420000       84000.00      50.343     -17.060      33.283  11.40 0.000 1.000 0.136 1.902     456.740     330.000      15.129   10 
+    430000       86000.00      33.708      -6.350      27.358   8.23 0.071 0.667 0.197 2.253     305.812     330.000      11.822   10 
+    440000       88000.00      35.690     -10.573      25.118   8.59 0.143 0.333 0.182 2.481     323.801     330.000      10.898   10 
+    450000       90000.00      43.504     -11.792      31.712   7.78 0.000 1.000 0.250 0.886     394.694     330.000      10.026   10 
+    460000       92000.00      39.594      -9.237      30.357  10.42 0.000   NaN   NaN 2.917     359.216     330.000      14.030   10 
+    470000       94000.00      31.068      -6.822      24.246   8.05 0.071 0.750 0.193 1.076     281.865     330.000      10.536   10 
+    480000       96000.00      41.567      -7.446      34.121   8.26 0.143 0.500 0.170 1.994     377.115     330.000      11.612   10 
+    490000       98000.00      33.963      -3.629      30.334   9.20 0.071 0.500 0.227 0.916     308.134     330.000      12.760   10 
+    500000      100000.00      41.797      -2.247      39.551  11.07 0.000 1.000 0.318 1.881     379.207     330.000      14.148   10 
+    510000      102000.00      50.217       5.924      56.141  11.12 0.071 0.000 0.182 3.200     455.596     380.000      13.907   10 
+    520000      104000.00      49.830      -2.495      47.335   7.89 0.143 0.600 0.173 1.519     452.083     380.000      10.841   10 
+    530000      106000.00      60.834       5.772      66.605   5.69 0.143 0.600 0.191 2.264     551.915     380.000       8.664   10 
+    540000      108000.00      39.222      -2.598      36.624   7.55 0.000 1.000 0.318 1.833     355.842     380.000      11.031   10 
+    550000      110000.00      35.921      -3.949      31.972   6.72 0.071 0.500 0.205 1.340     325.894     380.000      11.211   10 
+    560000      112000.00      39.357      -0.078      39.280   8.08 0.000 1.000 0.227 1.804     357.069     380.000      11.116   10 
+    570000      114000.00      49.409       9.863      59.272   5.99 0.071 0.750 0.239 2.290     448.263     380.000       9.965   10 
+    580000      116000.00      38.031       6.023      44.054   6.84 0.000   NaN   NaN 2.415     345.035     380.000      10.623   10 
+    590000      118000.00      39.359     -11.793      27.566   6.70 0.000 1.000 0.288 1.342     357.083     380.000       9.738   10 
+    600000      120000.00      35.022     -12.502      22.520   8.88 0.000 1.000 0.242 1.010     317.739     380.000      12.840   10 
+    610000      122000.00      43.113     -14.567      28.546   8.76 0.286 0.333 0.167 2.155     391.147     370.000      11.921   10 
+    620000      124000.00      47.562      -3.717      43.845   8.68 0.000   NaN   NaN 1.507     431.511     370.000      12.975   10 
+    630000      126000.00      39.074      -2.422      36.652   8.10 0.000   NaN   NaN 2.132     354.498     370.000      11.314   10 
+    640000      128000.00      43.680       7.980      51.660   7.89 0.071 0.500 0.159 2.801     396.290     370.000      11.046   10 
+    650000      130000.00      50.075      -3.040      47.034   8.30 0.071 0.667 0.227 1.307     454.302     370.000      11.451   10 
+    660000      132000.00      51.922      -2.699      49.222   8.18 0.071 0.000 0.182 2.445     471.061     370.000      12.400   10 
+    670000      134000.00      49.894       6.690      56.584   8.00 0.000 1.000 0.273 1.388     452.666     370.000      11.134   10 
+    680000      136000.00      39.981       0.716      40.697   9.54 0.000 1.000 0.136 1.528     362.729     370.000      12.604   10 
+    690000      138000.00      35.834      -1.168      34.666  11.33 0.071 0.000 0.136 1.141     325.108     370.000      15.262   10 
+    700000      140000.00      41.384       0.633      42.018  13.53 0.000   NaN   NaN 4.002     375.461     370.000      17.261   10 
+    710000      142000.00      44.571     -12.450      32.122   9.58 0.071 0.000 0.182 1.983     404.375     360.000      14.322   10 
+    720000      144000.00      34.340      -1.385      32.955   6.23 0.071 0.000 0.136 1.914     311.546     360.000      11.568   10 
+    730000      146000.00      40.693      -8.654      32.039   8.43 0.071 0.500 0.136 1.295     369.184     360.000      11.790   10 
+    740000      148000.00      33.279      -7.285      25.994   6.76 0.071 0.500 0.205 1.605     301.926     360.000       8.983   10 
+    750000      150000.00      54.278     -15.853      38.425   6.72 0.071 0.750 0.318 1.746     492.434     360.000       9.431   10 
+    760000      152000.00      42.776       2.411      45.187   6.01 0.000 1.000 0.182 1.697     388.090     360.000       9.278   10 
+    770000      154000.00      43.245      -0.195      43.049   6.47 0.071 0.800 0.482 1.038     392.339     360.000       8.284   10 
+    780000      156000.00      46.361      -1.804      44.557   6.31 0.000 1.000 0.455 4.022     420.612     360.000       7.367   10 
+    790000      158000.00      39.001       5.414      44.414   6.32 0.000 1.000 0.470 2.055     353.833     360.000       7.883   10 
+    800000      160000.00      50.979      -1.478      49.500   6.82 0.000 1.000 0.239 1.378     462.503     360.000       8.425   10 
+    810000      162000.00      41.963     -16.932      25.031   6.56 0.071 0.667 0.273 3.031     380.713     350.000       9.539   10 
+    820000      164000.00      34.922       7.715      42.637   7.84 0.000 1.000 0.227 2.391     316.832     350.000      11.354   10 
+    830000      166000.00      42.977       1.913      44.890   7.53 0.000 1.000 0.227 1.545     389.909     350.000      10.742   10 
+    840000      168000.00      37.972       4.928      42.900   7.23 0.143 0.333 0.152 2.084     344.505     350.000      10.314   10 
+    850000      170000.00      46.984     -14.152      32.832   8.23 0.071 0.500 0.295 2.546     426.259     350.000       9.881   10 
+    860000      172000.00      48.600     -17.871      30.730   9.22 0.143 0.000 0.159 1.011     440.927     350.000      11.663   10 
+    870000      174000.00      38.052      -3.073      34.979   6.85 0.071 0.800 0.300 1.641     345.228     350.000       9.164   10 
+    880000      176000.00      38.613      -9.252      29.361   6.31 0.071 0.800 0.291 2.928     350.318     350.000       9.382   10 
+    890000      178000.00      60.245       4.339      64.584   8.16 0.071 0.000 0.136 1.301     546.570     350.000      11.429   10 
+    900000      180000.00      39.837      -3.905      35.932   8.88 0.071 0.500 0.182 2.086     361.419     350.000      11.337   10 
+    910000      182000.00      37.222       0.818      38.039   7.33 0.000 1.000 0.227 1.439     337.693     340.000      10.572   10 
+    920000      184000.00      45.907     -10.996      34.911   6.38 0.071 0.800 0.209 1.504     416.494     340.000      10.210   10 
+    930000      186000.00      32.932      -6.542      26.390   7.75 0.071 0.500 0.159 2.045     298.780     340.000      10.738   10 
+    940000      188000.00      33.346      -8.789      24.557   7.06 0.143 0.500 0.193 2.282     302.536     340.000       9.967   10 
+    950000      190000.00      43.021      -9.600      33.421   8.27 0.000 1.000 0.227 2.512     390.305     340.000      11.776   10 
+    960000      192000.00      42.665     -11.503      31.162   5.21 0.000 1.000 0.197 1.489     387.079     340.000       9.596   10 
+    970000      194000.00      39.160       2.175      41.335   8.20 0.071 0.500 0.159 1.228     355.279     340.000      11.756   10 
+    980000      196000.00      43.081       4.019      47.100   8.38 0.071 0.500 0.182 1.102     390.850     340.000      11.986   10 
+    990000      198000.00      41.816      -9.966      31.850   8.53 0.071 0.667 0.152 3.537     379.375     340.000      12.460   10 
+   1000000      200000.00      41.860      -9.763      32.097  12.13 0.000   NaN   NaN 4.267     379.776     340.000      15.037   10 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB011.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB011.stat
index a15e0c7..4b78aa7 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB011.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB011.stat
@@ -1,101 +1,101 @@
-         0           0.00      34.644      20.954      55.598  12.87 0.000   NaN   NaN 0.932     314.306     360.000      15.552   11 
-     10000        2000.00      44.535       6.768      51.303   9.64 0.000   NaN   NaN 2.360     404.045     360.000      14.304   11 
-     20000        4000.00      46.272       5.799      52.071   9.67 0.071 0.500 0.205 2.480     419.803     360.000      12.814   11 
-     30000        6000.00      42.413     -14.329      28.084   9.30 0.000 1.000 0.136 2.569     384.796     360.000      13.039   11 
-     40000        8000.00      54.386     -15.661      38.725   5.00 0.071 0.800 0.300 1.383     493.420     360.000       8.320   11 
-     50000       10000.00      37.885     -14.650      23.235   8.15 0.071 0.500 0.364 1.521     343.716     360.000      10.747   11 
-     60000       12000.00      49.104     -13.799      35.305   4.81 0.214 0.727 0.285 4.122     445.494     360.000       7.213   11 
-     70000       14000.00      42.378       2.836      45.214   4.94 0.143 0.667 0.364 2.854     384.477     360.000       8.729   11 
-     80000       16000.00      39.915     -22.214      17.701   4.78 0.143 0.778 0.263 1.854     362.131     360.000       7.736   11 
-     90000       18000.00      42.443       3.754      46.197   5.42 0.214 0.625 0.398 1.677     385.068     360.000       7.604   11 
-    100000       20000.00      33.847     -23.599      10.248   4.54 0.286 0.333 0.333 1.936     307.079     360.000       7.698   11 
-    110000       22000.00      42.618     -28.847      13.771   4.50 0.286 0.636 0.310 2.415     386.649     350.000       7.407   11 
-    120000       24000.00      28.869     -22.270       6.599   5.35 0.143 0.500 0.170 3.128     261.913     350.000       7.363   11 
-    130000       26000.00      33.473     -24.527       8.945   5.30 0.143 0.800 0.268 1.337     303.682     350.000       7.171   11 
-    140000       28000.00      40.869     -17.228      23.640   5.49 0.214 0.667 0.278 1.745     370.781     350.000       7.198   11 
-    150000       30000.00      37.385     -13.411      23.974   6.04 0.214 0.500 0.311 2.010     339.177     350.000       8.580   11 
-    160000       32000.00      36.893     -23.584      13.308   5.34 0.071 0.800 0.455 2.557     334.708     350.000       8.391   11 
-    170000       34000.00      32.940     -11.769      21.171   5.29 0.143 0.667 0.212 1.451     298.848     350.000       8.183   11 
-    180000       36000.00      44.545     -19.054      25.491   6.36 0.071 0.800 0.318 0.720     404.137     350.000       7.742   11 
-    190000       38000.00      35.606     -22.320      13.286   4.77 0.071 0.857 0.416 2.859     323.039     350.000       7.605   11 
-    200000       40000.00      33.757     -17.949      15.808   6.26 0.071 0.833 0.303 1.867     306.260     350.000       8.476   11 
-    210000       42000.00      44.999     -20.885      24.114   5.54 0.214 0.750 0.417 1.675     408.257     370.000       7.083   11 
-    220000       44000.00      43.566     -25.419      18.147   5.31 0.286 0.556 0.308 3.090     395.258     370.000       7.560   11 
-    230000       46000.00      43.798      -0.693      43.104   5.08 0.286 0.600 0.291 4.850     397.356     370.000       7.777   11 
-    240000       48000.00      51.378      -3.976      47.402   5.14 0.071 0.857 0.422 3.794     466.132     370.000       8.419   11 
-    250000       50000.00      33.247     -15.847      17.400   4.82 0.214 0.571 0.227 1.771     301.633     370.000       7.920   11 
-    260000       52000.00      40.357     -21.088      19.269   5.01 0.071 0.667 0.288 2.994     366.142     370.000       9.274   11 
-    270000       54000.00      50.213     -19.463      30.750   5.18 0.143 0.600 0.309 4.259     455.561     370.000       8.135   11 
-    280000       56000.00      42.515     -20.755      21.760   4.60 0.286 0.333 0.250 1.632     385.719     370.000       7.593   11 
-    290000       58000.00      49.146     -25.750      23.396   4.98 0.143 0.600 0.518 1.390     445.876     370.000       7.988   11 
-    300000       60000.00      36.863     -12.280      24.583   4.67 0.143 0.500 0.386 2.327     334.440     370.000       8.329   11 
-    310000       62000.00      49.475     -16.351      33.124   4.58 0.000 1.000 0.159 2.759     448.864     360.000       7.759   11 
-    320000       64000.00      32.506     -15.268      17.238   4.48 0.071 0.833 0.303 1.915     294.913     360.000       7.458   11 
-    330000       66000.00      37.965     -18.689      19.276   4.52 0.143 0.714 0.338 3.600     344.435     360.000       8.263   11 
-    340000       68000.00      43.070     -15.032      28.037   3.59 0.143 0.500 0.432 0.716     390.749     360.000       8.441   11 
-    350000       70000.00      36.359     -11.076      25.284   4.08 0.143 0.800 0.295 1.829     329.869     360.000       7.739   11 
-    360000       72000.00      37.621      -7.889      29.732   6.60 0.071 0.500 0.182 2.370     341.321     360.000       8.981   11 
-    370000       74000.00      64.259       4.937      69.197   7.42 0.071 0.000 0.136 1.760     582.993     360.000      10.308   11 
-    380000       76000.00      38.363     -15.915      22.447   6.78 0.143 0.333 0.136 2.006     348.045     360.000      10.361   11 
-    390000       78000.00      35.114     -19.903      15.211   8.11 0.071 0.500 0.159 1.771     318.574     360.000      11.031   11 
-    400000       80000.00      46.601      -8.349      38.252   6.30 0.071 0.750 0.239 0.933     422.792     360.000      11.047   11 
-    410000       82000.00      43.852     -26.112      17.740   8.41 0.071 0.500 0.159 1.131     397.848     350.000      12.233   11 
-    420000       84000.00      36.709     -13.372      23.337   7.91 0.000 1.000 0.212 1.021     333.043     350.000      11.943   11 
-    430000       86000.00      58.153     -13.920      44.233   7.83 0.071 0.500 0.136 1.674     527.591     350.000       9.610   11 
-    440000       88000.00      53.184     -16.764      36.420   7.20 0.071 0.800 0.191 2.135     482.510     350.000       9.769   11 
-    450000       90000.00      37.499     -27.411      10.088   9.09 0.214 0.400 0.145 1.001     340.211     350.000      11.882   11 
-    460000       92000.00      34.015     -19.885      14.130   8.16 0.214 0.250 0.170 1.942     308.603     350.000       9.574   11 
-    470000       94000.00      41.317      -6.615      34.702   5.76 0.143 0.000 0.136 1.580     374.848     350.000       9.627   11 
-    480000       96000.00      43.647      -6.248      37.400   6.89 0.071 0.500 0.182 1.760     395.992     350.000       9.106   11 
-    490000       98000.00      40.519     -28.117      12.402   5.33 0.286 0.667 0.330 1.647     367.611     350.000       6.949   11 
-    500000      100000.00      34.519     -23.532      10.987   5.79 0.286 0.600 0.405 3.138     313.173     350.000       7.585   11 
-    510000      102000.00      38.151     -21.714      16.437   6.64 0.143 0.600 0.300 2.153     346.126     340.000       7.780   11 
-    520000      104000.00      37.632     -17.204      20.429   6.35 0.286 0.714 0.351 2.270     341.420     340.000       6.876   11 
-    530000      106000.00      49.034     -34.362      14.672   6.14 0.214 0.500 0.364 1.544     444.862     340.000       7.475   11 
-    540000      108000.00      45.931     -18.023      27.907   6.64 0.071 0.800 0.218 3.331     416.707     340.000       8.196   11 
-    550000      110000.00      29.923     -17.209      12.714   6.40 0.143 0.750 0.210 2.437     271.479     340.000       7.943   11 
-    560000      112000.00      39.149     -16.713      22.436   6.80 0.143 0.833 0.345 1.209     355.184     340.000       7.434   11 
-    570000      114000.00      41.532     -17.111      24.421   6.05 0.214 0.571 0.273 2.088     376.802     340.000       7.226   11 
-    580000      116000.00      46.935      -6.551      40.384   5.09 0.000 1.000 0.591 2.315     425.820     340.000       8.249   11 
-    590000      118000.00      35.621     -11.250      24.371   5.72 0.143 0.600 0.336 2.061     323.173     340.000       7.795   11 
-    600000      120000.00      40.297     -17.298      22.999   6.91 0.071 0.875 0.330 2.609     365.596     340.000       7.288   11 
-    610000      122000.00      44.281     -11.586      32.695   6.36 0.143 0.667 0.258 1.338     401.743     380.000       7.389   11 
-    620000      124000.00      39.206      -4.243      34.964  11.34 0.071 0.000 0.136 1.828     355.701     380.000      15.300   11 
-    630000      126000.00      42.238       1.737      43.974   8.21 0.143 0.333 0.152 3.380     383.201     380.000      12.371   11 
-    640000      128000.00      37.953     -16.543      21.410   6.61 0.000 1.000 0.227 2.106     344.330     380.000      10.076   11 
-    650000      130000.00      47.173      -6.271      40.902   7.82 0.071 0.800 0.209 3.011     427.977     380.000       9.501   11 
-    660000      132000.00      41.904      -7.327      34.576   5.88 0.000 1.000 0.491 2.086     380.171     380.000       7.880   11 
-    670000      134000.00      41.475      -8.422      33.053   6.30 0.286 0.556 0.298 4.082     376.281     380.000       8.512   11 
-    680000      136000.00      38.002     -10.922      27.081   4.96 0.143 0.667 0.235 3.138     344.776     380.000       8.395   11 
-    690000      138000.00      48.439     -13.693      34.746   6.22 0.071 0.750 0.318 1.436     439.462     380.000       8.056   11 
-    700000      140000.00      44.676      -8.961      35.715   5.88 0.071 0.875 0.324 1.405     405.321     380.000       7.214   11 
-    710000      142000.00      48.791     -26.692      22.099   6.39 0.214 0.667 0.389 4.137     442.660     370.000       7.385   11 
-    720000      144000.00      37.495     -18.972      18.523   5.04 0.214 0.727 0.302 1.347     340.174     370.000       7.001   11 
-    730000      146000.00      42.994       5.801      48.796   4.83 0.071 0.750 0.182 1.780     390.067     370.000       8.767   11 
-    740000      148000.00      70.998      -6.076      64.922   5.71 0.071 0.875 0.347 1.628     644.133     370.000       7.924   11 
-    750000      150000.00      47.214     -11.311      35.904   5.74 0.143 0.600 0.400 4.275     428.350     370.000       8.094   11 
-    760000      152000.00      48.818      -7.255      41.563   4.73 0.143 0.000 0.477 1.858     442.899     370.000       8.908   11 
-    770000      154000.00      45.192      -2.576      42.616   4.65 0.214 0.250 0.148 4.563     410.004     370.000       9.172   11 
-    780000      156000.00      38.874     -21.302      17.572   4.78 0.214 0.727 0.360 1.503     352.686     370.000       7.223   11 
-    790000      158000.00      41.067     -15.758      25.309   5.00 0.071 0.667 0.364 2.785     372.583     370.000       8.343   11 
-    800000      160000.00      41.197     -21.338      19.859   5.34 0.071 0.667 0.227 2.491     373.757     370.000       8.102   11 
-    810000      162000.00      38.389     -14.542      23.847   5.42 0.071 0.800 0.418 1.531     348.289     360.000       8.018   11 
-    820000      164000.00      50.942     -17.232      33.710   4.93 0.143 0.833 0.394 1.330     462.176     360.000       6.905   11 
-    830000      166000.00      28.774     -26.848       1.925   5.01 0.071 0.900 0.373 2.804     261.049     360.000       7.348   11 
-    840000      168000.00      46.833     -13.095      33.739   5.38 0.143 0.750 0.398 1.623     424.897     360.000       8.869   11 
-    850000      170000.00      47.471     -24.751      22.720   4.57 0.071 0.750 0.307 1.209     430.678     360.000       8.048   11 
-    860000      172000.00      45.144     -24.449      20.695   4.84 0.214 0.786 0.354 2.648     409.572     360.000       6.900   11 
-    870000      174000.00      43.354     -26.448      16.906   3.73 0.286 0.556 0.384 2.001     393.333     360.000       7.112   11 
-    880000      176000.00      40.881     -13.180      27.701   4.50 0.071 0.875 0.312 2.870     370.897     360.000       7.197   11 
-    890000      178000.00      42.352     -17.503      24.848   4.52 0.286 0.556 0.273 1.843     384.236     360.000       7.669   11 
-    900000      180000.00      42.280     -24.650      17.630   4.69 0.214 0.500 0.303 1.533     383.589     360.000       7.771   11 
-    910000      182000.00      47.698      -9.722      37.976   4.23 0.214 0.750 0.311 1.267     432.744     350.000       7.464   11 
-    920000      184000.00      32.940     -29.963       2.977   4.15 0.143 0.750 0.273 1.529     298.848     350.000       7.263   11 
-    930000      186000.00      53.740     -34.666      19.074   5.68 0.214 0.700 0.368 3.351     487.553     350.000       7.580   11 
-    940000      188000.00      47.641     -35.437      12.204   6.20 0.214 0.727 0.343 0.976     432.225     350.000       6.898   11 
-    950000      190000.00      39.098     -35.261       3.837   4.94 0.357 0.706 0.324 1.420     354.716     350.000       6.767   11 
-    960000      192000.00      41.706     -41.416       0.290   4.97 0.286 0.556 0.359 1.995     378.377     350.000       7.795   11 
-    970000      194000.00      30.471     -23.943       6.528   3.88 0.214 0.571 0.526 1.887     276.451     350.000       7.642   11 
-    980000      196000.00      41.537     -33.595       7.942   4.18 0.357 0.583 0.337 1.098     376.846     350.000       7.084   11 
-    990000      198000.00      33.072     -31.863       1.209   4.71 0.429 0.500 0.394 1.537     300.049     350.000       7.389   11 
-   1000000      200000.00      43.676     -18.986      24.690   5.19 0.071 0.667 0.364 2.113     396.247     350.000       7.959   11 
+         0           0.00      43.968      24.569      68.538  12.87 0.000   NaN   NaN 0.709     398.905     360.000      15.552   11 
+     10000        2000.00      48.392      -5.254      43.138  12.61 0.000   NaN   NaN 3.506     439.034     360.000      15.564   11 
+     20000        4000.00      44.108     -13.745      30.364  11.58 0.143 0.000 0.159 2.348     400.172     360.000      14.756   11 
+     30000        6000.00      49.600      11.356      60.955  10.72 0.071 0.500 0.205 2.867     449.996     360.000      14.306   11 
+     40000        8000.00      41.150     -10.124      31.026  10.31 0.071 0.500 0.159 1.356     373.335     360.000      13.824   11 
+     50000       10000.00      35.339       0.811      36.150  11.36 0.000   NaN   NaN 1.521     320.617     360.000      16.019   11 
+     60000       12000.00      45.095      -1.931      43.164   9.86 0.000   NaN   NaN 5.582     409.127     360.000      13.468   11 
+     70000       14000.00      41.250     -23.956      17.294   9.06 0.000   NaN   NaN 2.095     374.245     360.000      12.218   11 
+     80000       16000.00      56.124       1.872      57.996   9.05 0.000 1.000 0.227 2.316     509.186     360.000      10.858   11 
+     90000       18000.00      49.779       2.740      52.519   8.35 0.000 1.000 0.182 1.950     451.619     360.000      11.530   11 
+    100000       20000.00      43.986       4.000      47.986   5.88 0.000   NaN   NaN 2.415     399.064     360.000      10.294   11 
+    110000       22000.00      38.398       0.178      38.576   5.55 0.071 0.667 0.182 1.143     348.365     350.000       9.346   11 
+    120000       24000.00      35.739       2.827      38.565   5.51 0.071 0.500 0.455 2.933     324.242     350.000       8.443   11 
+    130000       26000.00      32.335     -10.723      21.612   4.68 0.214 0.500 0.371 3.271     293.364     350.000       8.339   11 
+    140000       28000.00      34.254     -12.049      22.205   5.08 0.143 0.333 0.348 1.431     310.770     350.000       8.456   11 
+    150000       30000.00      36.929     -10.195      26.734   6.17 0.071 0.800 0.227 2.061     335.041     350.000       9.551   11 
+    160000       32000.00      37.008     -13.268      23.740   8.22 0.071 0.000 0.227 2.197     335.760     350.000      11.003   11 
+    170000       34000.00      39.029      -3.993      35.036   7.44 0.000   NaN   NaN 1.519     354.090     350.000      10.940   11 
+    180000       36000.00      32.555       6.756      39.311   8.53 0.000   NaN   NaN 2.841     295.359     350.000      11.053   11 
+    190000       38000.00      44.963      -2.983      41.981   6.05 0.000 1.000 0.436 2.358     407.932     350.000       8.115   11 
+    200000       40000.00      52.433       2.489      54.922   7.99 0.143 0.667 0.220 1.055     475.698     350.000      10.034   11 
+    210000       42000.00      54.417       0.029      54.446   5.03 0.143 0.500 0.659 2.910     493.703     400.000       7.677   11 
+    220000       44000.00      40.821      -6.259      34.562   5.36 0.071 0.800 0.555 2.045     370.354     400.000       8.115   11 
+    230000       46000.00      43.406     -16.768      26.638   5.22 0.000 1.000 0.509 2.920     393.803     400.000       7.699   11 
+    240000       48000.00      48.059       0.897      48.957   4.46 0.071 0.000 0.227 1.411     436.017     400.000       8.331   11 
+    250000       50000.00      49.446     -14.984      34.461   6.31 0.000 1.000 0.364 1.234     448.597     400.000       7.708   11 
+    260000       52000.00      48.541      -4.474      44.067   6.43 0.071 0.833 0.523 2.444     440.391     400.000       7.519   11 
+    270000       54000.00      43.496      -2.712      40.784   5.08 0.143 0.000 0.159 2.158     394.617     400.000       8.904   11 
+    280000       56000.00      45.617      -6.995      38.622   5.04 0.000 1.000 0.398 2.145     413.858     400.000       9.960   11 
+    290000       58000.00      42.802      -9.420      33.382   5.47 0.000 1.000 0.182 1.594     388.323     400.000       9.807   11 
+    300000       60000.00      47.562      10.933      58.495   6.55 0.000 1.000 0.136 0.248     431.511     400.000      11.219   11 
+    310000       62000.00      40.345      -0.551      39.794   8.28 0.000   NaN   NaN 1.804     366.031     390.000      11.849   11 
+    320000       64000.00      57.528       6.331      63.859  11.03 0.000   NaN   NaN 3.572     521.920     390.000      14.960   11 
+    330000       66000.00      53.708       4.573      58.280   7.23 0.000   NaN   NaN 1.714     487.265     390.000      12.020   11 
+    340000       68000.00      59.264       3.548      62.812   5.80 0.071 0.500 0.205 1.976     537.670     390.000      10.836   11 
+    350000       70000.00      38.970      -0.260      38.710   5.91 0.000 1.000 0.136 1.775     353.558     390.000      10.690   11 
+    360000       72000.00      37.800      -2.739      35.061   5.68 0.071 0.800 0.391 1.767     342.941     390.000       9.651   11 
+    370000       74000.00      48.556      -0.935      47.621   4.77 0.000 1.000 0.614 1.900     440.526     390.000       8.393   11 
+    380000       76000.00      47.403       4.151      51.554   5.91 0.143 0.818 0.351 2.764     430.069     390.000       7.724   11 
+    390000       78000.00      49.216       1.514      50.730   7.10 0.071 0.800 0.245 1.765     446.509     390.000       9.843   11 
+    400000       80000.00      49.768     -11.879      37.889   5.89 0.143 0.500 0.205 2.373     451.523     390.000       7.548   11 
+    410000       82000.00      38.397     -11.280      27.116   5.03 0.071 0.750 0.239 1.778     348.355     380.000       7.434   11 
+    420000       84000.00      30.929       5.175      36.104   4.54 0.143 0.500 0.261 4.353     280.606     380.000       8.483   11 
+    430000       86000.00      45.896       8.125      54.022   5.13 0.071 0.500 0.136 1.210     416.397     380.000      10.076   11 
+    440000       88000.00      51.792       0.812      52.604   6.57 0.000 1.000 0.227 2.481     469.883     380.000      10.784   11 
+    450000       90000.00      43.884       9.329      53.213   6.43 0.000 1.000 0.364 2.835     398.140     380.000       9.997   11 
+    460000       92000.00      37.798     -10.040      27.758   6.89 0.143 0.667 0.326 1.537     342.921     380.000       9.938   11 
+    470000       94000.00      43.235       6.058      49.293   8.63 0.071 0.000 0.182 1.443     392.253     380.000      11.836   11 
+    480000       96000.00      41.647      -1.369      40.278   5.97 0.143 0.750 0.307 2.445     377.843     380.000       9.050   11 
+    490000       98000.00      37.784     -11.622      26.162   7.56 0.143 0.778 0.414 1.822     342.796     380.000       9.683   11 
+    500000      100000.00      36.752       4.984      41.736   5.95 0.071 0.500 0.273 2.749     333.430     380.000       9.274   11 
+    510000      102000.00      38.246     -16.139      22.107   5.70 0.143 0.750 0.494 2.251     346.988     370.000       7.898   11 
+    520000      104000.00      44.851      -3.037      41.814   6.43 0.071 0.750 0.364 1.556     406.911     370.000       9.201   11 
+    530000      106000.00      34.491      -7.002      27.489   6.16 0.000 1.000 0.336 1.272     312.921     370.000       7.853   11 
+    540000      108000.00      35.317     -22.874      12.443   5.42 0.071 0.750 0.239 1.649     320.415     370.000       8.050   11 
+    550000      110000.00      41.723      -7.109      34.614   4.98 0.143 0.750 0.273 2.295     378.530     370.000       6.908   11 
+    560000      112000.00      43.985      -3.307      40.679   5.42 0.143 0.500 0.295 2.726     399.057     370.000       7.206   11 
+    570000      114000.00      48.107     -11.954      36.154   5.91 0.071 0.800 0.282 1.873     436.456     370.000       6.985   11 
+    580000      116000.00      31.760       3.664      35.423   7.30 0.000 1.000 0.545 2.694     288.142     370.000       9.142   11 
+    590000      118000.00      27.012       8.362      35.374   7.83 0.000 1.000 0.136 3.274     245.064     370.000       9.929   11 
+    600000      120000.00      46.145      -6.762      39.383   9.08 0.000   NaN   NaN 1.082     418.651     370.000      11.001   11 
+    610000      122000.00      36.938      -6.513      30.425  10.17 0.071 0.667 0.167 1.866     335.117     360.000      14.104   11 
+    620000      124000.00      31.800      -4.831      26.969   8.03 0.000 1.000 0.182 2.663     288.506     360.000      12.151   11 
+    630000      126000.00      47.797      -6.270      41.527   6.61 0.071 0.500 0.182 1.058     433.642     360.000       9.876   11 
+    640000      128000.00      48.907       5.507      54.413   9.11 0.071 0.000 0.136 1.623     443.706     360.000      12.948   11 
+    650000      130000.00      44.031      16.040      60.071   9.79 0.000 1.000 0.182 2.945     399.468     360.000      12.860   11 
+    660000      132000.00      31.120       6.117      37.238   7.57 0.000 1.000 0.136 0.995     282.339     360.000      11.654   11 
+    670000      134000.00      45.327     -15.759      29.568   9.29 0.143 0.000 0.159 2.524     411.228     360.000      11.669   11 
+    680000      136000.00      48.392      -4.690      43.702   9.88 0.143 0.333 0.182 2.393     439.034     360.000      13.275   11 
+    690000      138000.00      47.438     -14.111      33.327  12.60 0.000   NaN   NaN 0.794     430.384     360.000      15.830   11 
+    700000      140000.00      43.881       9.517      53.398  10.91 0.000   NaN   NaN 1.361     398.111     360.000      14.347   11 
+    710000      142000.00      47.504       6.670      54.174   8.55 0.071 0.667 0.227 2.506     430.980     400.000      12.422   11 
+    720000      144000.00      57.437       9.275      66.712   6.61 0.000   NaN   NaN 4.028     521.100     400.000      11.163   11 
+    730000      146000.00      39.662      18.561      58.222   6.99 0.000   NaN   NaN 3.158     359.832     400.000      11.869   11 
+    740000      148000.00      53.745     -11.404      42.341   6.68 0.000 1.000 0.418 2.696     487.606     400.000       8.110   11 
+    750000      150000.00      58.984       1.891      60.875   6.28 0.000 1.000 0.455 1.836     535.129     400.000       7.953   11 
+    760000      152000.00      68.958      21.375      90.333   6.11 0.000 1.000 0.500 2.944     625.623     400.000       8.213   11 
+    770000      154000.00      53.320      -3.557      49.763   7.03 0.214 0.571 0.299 3.075     483.743     400.000       7.725   11 
+    780000      156000.00      59.801       7.280      67.081   6.04 0.071 0.667 0.318 2.821     542.550     400.000       7.926   11 
+    790000      158000.00      50.040      10.883      60.923   7.29 0.071 0.500 0.205 2.770     453.987     400.000      10.480   11 
+    800000      160000.00      40.788      -7.266      33.522   8.03 0.071 0.500 0.159 3.559     370.054     400.000      11.980   11 
+    810000      162000.00      54.654      -2.910      51.744   9.22 0.000   NaN   NaN 2.183     495.850     390.000      14.202   11 
+    820000      164000.00      51.691      -0.318      51.373  12.21 0.000   NaN   NaN 4.018     468.966     390.000      15.644   11 
+    830000      166000.00      50.729       6.055      56.784   8.40 0.000   NaN   NaN 1.894     460.241     390.000      11.895   11 
+    840000      168000.00      46.779      -0.877      45.901   7.45 0.143 0.333 0.182 3.194     424.399     390.000      11.362   11 
+    850000      170000.00      43.366       4.014      47.380  10.12 0.000   NaN   NaN 1.728     393.440     390.000      14.706   11 
+    860000      172000.00      42.063      -3.979      38.084   8.30 0.000   NaN   NaN 2.412     381.615     390.000      13.090   11 
+    870000      174000.00      57.972       6.883      64.855   5.61 0.000 1.000 0.182 1.786     525.956     390.000       9.924   11 
+    880000      176000.00      47.835       3.884      51.719   6.93 0.000 1.000 0.398 2.971     433.983     390.000       8.967   11 
+    890000      178000.00      38.393     -11.108      27.285   6.66 0.143 0.500 0.205 1.440     348.322     390.000       9.262   11 
+    900000      180000.00      49.539      -4.407      45.131   6.19 0.143 0.500 0.159 0.766     449.439     390.000       8.836   11 
+    910000      182000.00      48.468       4.151      52.619   6.46 0.143 0.750 0.324 1.078     439.724     380.000       8.224   11 
+    920000      184000.00      42.237       3.132      45.368   5.28 0.000 1.000 0.136 2.754     383.195     380.000       9.793   11 
+    930000      186000.00      39.872      -6.814      33.058   5.27 0.143 0.600 0.518 3.403     361.736     380.000       9.095   11 
+    940000      188000.00      40.992     -16.799      24.193   5.57 0.071 0.800 0.418 2.200     371.897     380.000       7.663   11 
+    950000      190000.00      38.112      -2.448      35.664   4.97 0.000   NaN   NaN 1.868     345.772     380.000       7.995   11 
+    960000      192000.00      37.917      -7.815      30.103   5.14 0.071 0.750 0.500 1.595     344.007     380.000       8.216   11 
+    970000      194000.00      57.563       6.279      63.842   4.80 0.071 0.800 0.373 1.727     522.242     380.000       7.905   11 
+    980000      196000.00      45.910      -1.876      44.033   5.53 0.143 0.000 0.159 2.157     416.518     380.000       7.694   11 
+    990000      198000.00      47.949       0.695      48.644   6.07 0.071 0.875 0.443 1.302     435.014     380.000       7.301   11 
+   1000000      200000.00      38.172       1.044      39.217   5.48 0.000 1.000 0.418 2.039     346.321     380.000       7.977   11 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB012.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB012.stat
index 4043537..59c843c 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB012.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB012.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.472      20.939      48.411  12.87 0.000   NaN   NaN 0.931     249.239     370.000      15.552   12 
-     10000        2000.00      39.750      -5.531      34.218   7.33 0.000   NaN   NaN 2.191     360.630     370.000      12.414   12 
-     20000        4000.00      44.226     -10.738      33.488   9.91 0.071 0.000 0.136 1.313     401.244     370.000      14.204   12 
-     30000        6000.00      38.889       5.422      44.311   7.02 0.071 0.667 0.182 1.892     352.820     370.000      11.021   12 
-     40000        8000.00      46.213     -17.585      28.628   8.82 0.143 0.667 0.242 2.033     419.264     370.000      10.226   12 
-     50000       10000.00      43.212     -15.036      28.176   5.09 0.214 0.727 0.264 1.295     392.043     370.000       7.424   12 
-     60000       12000.00      43.601     -11.345      32.255   4.94 0.143 0.600 0.236 1.979     395.568     370.000       8.113   12 
-     70000       14000.00      45.476      -9.084      36.392   4.85 0.286 0.500 0.409 2.522     412.581     370.000       7.920   12 
-     80000       16000.00      43.669      -9.846      33.824   4.38 0.143 0.750 0.420 1.528     396.191     370.000       8.531   12 
-     90000       18000.00      41.184     -13.794      27.390   4.91 0.071 0.000 0.136 1.312     373.646     370.000       9.563   12 
-    100000       20000.00      47.242     -19.956      27.286   4.67 0.000 1.000 0.432 1.984     428.603     370.000       8.662   12 
-    110000       22000.00      45.900     -20.913      24.987   4.30 0.143 0.778 0.429 2.670     416.427     360.000       7.776   12 
-    120000       24000.00      36.598     -15.430      21.168   4.32 0.071 0.667 0.197 1.392     332.034     360.000       8.085   12 
-    130000       26000.00      37.884     -17.829      20.055   4.12 0.214 0.571 0.292 4.354     343.699     360.000       7.632   12 
-    140000       28000.00      40.872     -14.568      26.304   4.65 0.071 0.900 0.345 2.267     370.810     360.000       7.391   12 
-    150000       30000.00      41.040     -18.301      22.739   3.86 0.143 0.600 0.209 2.555     372.334     360.000       7.578   12 
-    160000       32000.00      50.157     -22.182      27.976   3.82 0.143 0.500 0.398 2.971     455.051     360.000       7.891   12 
-    170000       34000.00      49.103     -26.367      22.735   4.58 0.143 0.750 0.415 1.177     445.483     360.000       7.347   12 
-    180000       36000.00      39.302     -15.335      23.967   4.39 0.214 0.727 0.401 1.436     356.571     360.000       7.301   12 
-    190000       38000.00      43.283     -26.467      16.816   3.77 0.000 1.000 0.216 1.327     392.685     360.000       7.577   12 
-    200000       40000.00      36.270     -14.217      22.053   4.59 0.071 0.750 0.432 1.056     329.062     360.000       8.852   12 
-    210000       42000.00      42.674     -23.548      19.125   4.33 0.143 0.778 0.384 1.256     387.159     350.000       8.336   12 
-    220000       44000.00      35.656     -28.984       6.672   5.54 0.214 0.786 0.295 1.940     323.487     350.000       7.195   12 
-    230000       46000.00      36.126     -25.435      10.691   5.04 0.071 0.909 0.401 1.287     327.753     350.000       7.169   12 
-    240000       48000.00      50.760     -34.122      16.638   5.37 0.286 0.636 0.401 2.439     460.522     350.000       7.400   12 
-    250000       50000.00      48.667     -23.349      25.318   4.93 0.286 0.500 0.347 1.116     441.536     350.000       7.680   12 
-    260000       52000.00      45.199     -21.080      24.119   4.65 0.143 0.800 0.323 1.551     410.065     350.000       7.803   12 
-    270000       54000.00      44.350     -17.880      26.470   5.26 0.143 0.750 0.193 1.576     402.368     350.000       8.609   12 
-    280000       56000.00      52.368     -38.994      13.374   4.64 0.286 0.556 0.303 0.743     475.110     350.000       7.385   12 
-    290000       58000.00      39.601     -30.988       8.614   5.19 0.286 0.692 0.315 0.936     359.283     350.000       7.458   12 
-    300000       60000.00      46.047     -27.396      18.650   5.71 0.143 0.714 0.370 3.420     417.759     350.000       7.887   12 
-    310000       62000.00      45.992      12.438      58.430   5.08 0.071 0.875 0.290 3.606     417.262     340.000       8.032   12 
-    320000       64000.00      34.686     -22.306      12.380   5.73 0.214 0.500 0.182 3.140     314.693     340.000       8.326   12 
-    330000       66000.00      39.448     -30.543       8.905   5.60 0.214 0.750 0.417 0.626     357.895     340.000       7.081   12 
-    340000       68000.00      46.743     -27.655      19.088   4.69 0.214 0.400 0.418 4.387     424.073     340.000       8.176   12 
-    350000       70000.00      47.836     -23.050      24.786   6.19 0.143 0.800 0.373 1.767     433.997     340.000       7.709   12 
-    360000       72000.00      38.220     -31.474       6.746   4.77 0.214 0.727 0.463 1.666     346.754     340.000       7.327   12 
-    370000       74000.00      46.201     -37.690       8.510   4.50 0.071 0.875 0.369 2.107     419.157     340.000       7.456   12 
-    380000       76000.00      42.809     -15.929      26.879   5.32 0.071 0.889 0.434 2.844     388.382     340.000       7.531   12 
-    390000       78000.00      47.289     -29.498      17.791   3.92 0.214 0.769 0.322 1.651     429.031     340.000       7.096   12 
-    400000       80000.00      44.740     -20.743      23.998   4.90 0.286 0.600 0.386 2.298     405.908     340.000       7.714   12 
-    410000       82000.00      30.720     -36.371      -5.651   4.85 0.214 0.727 0.401 2.842     278.707     330.000       7.697   12 
-    420000       84000.00      38.054     -33.039       5.015   3.54 0.286 0.714 0.318 1.531     345.242     330.000       6.660   12 
-    430000       86000.00      32.970     -28.659       4.311   4.60 0.214 0.700 0.318 2.675     299.118     330.000       6.931   12 
-    440000       88000.00      41.876     -18.899      22.977   6.25 0.286 0.429 0.188 2.444     379.925     330.000       9.255   12 
-    450000       90000.00      37.001     -22.396      14.604   7.99 0.214 0.625 0.193 1.210     335.689     330.000       8.315   12 
-    460000       92000.00      42.084     -17.007      25.077   7.14 0.286 0.500 0.261 1.826     381.806     330.000      10.039   12 
-    470000       94000.00      38.846     -22.858      15.988   6.57 0.071 0.857 0.260 1.570     352.433     330.000       9.659   12 
-    480000       96000.00      42.984     -24.104      18.879   5.76 0.143 0.750 0.330 2.033     389.969     330.000       8.542   12 
-    490000       98000.00      45.262     -22.539      22.724   5.37 0.143 0.800 0.332 2.311     410.643     330.000       7.231   12 
-    500000      100000.00      31.769     -19.083      12.686   4.93 0.143 0.500 0.250 1.635     288.229     330.000       7.693   12 
-    510000      102000.00      44.912     -25.163      19.749   6.06 0.071 0.875 0.455 2.063     407.469     390.000       6.977   12 
-    520000      104000.00      50.944     -19.760      31.184   4.82 0.143 0.800 0.359 1.183     462.189     390.000       7.265   12 
-    530000      106000.00      35.357      -8.059      27.298   5.53 0.071 0.875 0.358 1.267     320.776     390.000       7.031   12 
-    540000      108000.00      36.724     -11.215      25.509   6.01 0.214 0.571 0.331 2.029     333.178     390.000       7.828   12 
-    550000      110000.00      51.890     -10.417      41.473   5.50 0.071 0.500 0.409 1.615     470.774     390.000       7.896   12 
-    560000      112000.00      47.879     -10.861      37.018   4.63 0.143 0.500 0.477 2.151     434.385     390.000       9.209   12 
-    570000      114000.00      32.538      -6.503      26.035   6.31 0.000 1.000 0.333 2.274     295.198     390.000       8.621   12 
-    580000      116000.00      42.839      -7.800      35.039   6.11 0.071 0.833 0.364 1.604     388.659     390.000       7.728   12 
-    590000      118000.00      42.221     -18.883      23.337   5.57 0.000 1.000 0.591 2.115     383.049     390.000       8.334   12 
-    600000      120000.00      56.143     -13.287      42.856   5.29 0.071 0.857 0.500 2.437     509.355     390.000       8.506   12 
-    610000      122000.00      45.312     -16.542      28.770   5.68 0.000 1.000 0.568 1.754     411.094     400.000       9.357   12 
-    620000      124000.00      50.212     -12.360      37.853   6.66 0.000 1.000 0.515 2.385     455.553     400.000       7.530   12 
-    630000      126000.00      55.039      -2.188      52.852   6.66 0.000 1.000 0.273 2.572     499.347     400.000       9.482   12 
-    640000      128000.00      47.845      14.494      62.339   6.72 0.143 0.500 0.193 3.399     434.073     400.000      10.919   12 
-    650000      130000.00      41.426      -7.597      33.830   7.48 0.071 0.750 0.170 1.636     375.842     400.000      11.089   12 
-    660000      132000.00      50.955      -9.906      41.049   6.43 0.000 1.000 0.227 1.333     462.289     400.000      10.164   12 
-    670000      134000.00      58.452       1.012      59.464   9.18 0.071 0.500 0.159 3.034     530.303     400.000      12.164   12 
-    680000      136000.00      47.945       2.711      50.657  12.36 0.000   NaN   NaN 1.812     434.986     400.000      15.948   12 
-    690000      138000.00      43.721      -6.738      36.984   7.89 0.143 0.500 0.159 1.419     396.661     400.000      11.064   12 
-    700000      140000.00      35.231      -1.007      34.224   7.89 0.000 1.000 0.261 2.219     319.636     400.000      10.403   12 
-    710000      142000.00      48.316      10.390      58.706   5.18 0.071 0.750 0.307 2.495     438.351     400.000       7.782   12 
-    720000      144000.00      54.336     -12.150      42.186   5.48 0.071 0.857 0.331 1.402     492.968     400.000       8.044   12 
-    730000      146000.00      55.363       0.344      55.707   9.81 0.071 0.500 0.159 3.256     502.280     400.000      12.959   12 
-    740000      148000.00      56.403      11.235      67.638   8.61 0.000   NaN   NaN 2.836     511.718     400.000      12.157   12 
-    750000      150000.00      45.962       8.942      54.904   6.72 0.071 0.500 0.205 1.242     416.989     400.000      10.365   12 
-    760000      152000.00      48.516      -3.470      45.046   8.37 0.143 0.333 0.182 1.606     440.163     400.000      12.376   12 
-    770000      154000.00      47.653       4.668      52.321   7.22 0.000   NaN   NaN 2.319     432.332     400.000      12.556   12 
-    780000      156000.00      42.182      -0.320      41.862   6.32 0.000   NaN   NaN 2.656     382.696     400.000      10.862   12 
-    790000      158000.00      37.781      -2.811      34.970   4.43 0.000 1.000 0.382 2.072     342.772     400.000       8.438   12 
-    800000      160000.00      46.135     -12.025      34.110   5.09 0.214 0.400 0.445 3.449     418.558     400.000       8.557   12 
-    810000      162000.00      45.304      -3.106      42.198   6.97 0.071 0.500 0.159 1.763     411.022     390.000      11.449   12 
-    820000      164000.00      52.266      -0.203      52.063   6.13 0.071 0.800 0.209 2.277     474.187     390.000       9.589   12 
-    830000      166000.00      47.033       3.390      50.423   6.61 0.071 0.667 0.136 1.938     426.708     390.000      10.507   12 
-    840000      168000.00      37.424       7.180      44.604   5.67 0.000 1.000 0.455 4.489     339.527     390.000       9.911   12 
-    850000      170000.00      33.091      -6.398      26.693   6.25 0.000 1.000 0.136 1.936     300.219     390.000       8.557   12 
-    860000      172000.00      40.702     -11.146      29.556   6.07 0.071 0.800 0.536 1.212     369.270     390.000       8.231   12 
-    870000      174000.00      50.624     -21.501      29.124   5.84 0.071 0.667 0.485 3.062     459.289     390.000       7.439   12 
-    880000      176000.00      47.721     -20.334      27.387   5.73 0.000 1.000 0.436 1.886     432.950     390.000       7.588   12 
-    890000      178000.00      41.707     -17.088      24.618   5.49 0.071 0.875 0.352 1.459     378.383     390.000       8.424   12 
-    900000      180000.00      55.173     -24.279      30.894   5.73 0.143 0.750 0.472 2.981     500.560     390.000       7.097   12 
-    910000      182000.00      53.384     -15.846      37.538   4.67 0.071 0.800 0.291 1.791     484.329     380.000       8.348   12 
-    920000      184000.00      47.161      -4.481      42.680   5.63 0.000 1.000 0.682 2.715     427.869     380.000       9.107   12 
-    930000      186000.00      47.098     -15.839      31.260   6.52 0.000 1.000 0.455 3.000     427.302     380.000       8.619   12 
-    940000      188000.00      39.514     -11.002      28.512   4.78 0.071 0.667 0.394 1.174     358.494     380.000       8.389   12 
-    950000      190000.00      50.056      -2.363      47.693   4.54 0.071 0.667 0.394 4.142     454.137     380.000       9.240   12 
-    960000      192000.00      43.711     -12.698      31.012  10.03 0.286 0.000 0.148 0.854     396.565     380.000      13.024   12 
-    970000      194000.00      41.607      -5.095      36.512  10.88 0.000   NaN   NaN 2.303     377.479     380.000      14.082   12 
-    980000      196000.00      43.681      -7.272      36.409   8.74 0.143 0.000 0.136 1.671     396.298     380.000      13.020   12 
-    990000      198000.00      39.174      -9.052      30.122   4.74 0.071 0.750 0.318 1.700     355.405     380.000       8.764   12 
-   1000000      200000.00      45.107      -2.755      42.352   5.28 0.143 0.667 0.447 3.790     409.233     380.000       8.742   12 
+         0           0.00      27.576      24.554      52.130  12.87 0.000   NaN   NaN 0.711     250.183     370.000      15.552   12 
+     10000        2000.00      40.906       2.581      43.488  10.77 0.071 0.667 0.152 2.774     371.124     370.000      13.499   12 
+     20000        4000.00      44.918       4.820      49.738  11.34 0.000 1.000 0.136 1.894     407.519     370.000      14.922   12 
+     30000        6000.00      41.832      -3.091      38.741  11.14 0.000 1.000 0.182 5.252     379.520     370.000      14.589   12 
+     40000        8000.00      46.331       3.723      50.054   9.71 0.000   NaN   NaN 1.348     420.337     370.000      14.296   12 
+     50000       10000.00      39.954      -1.880      38.074   8.01 0.000   NaN   NaN 1.607     362.484     370.000      12.273   12 
+     60000       12000.00      37.721       0.307      38.029   7.60 0.071 0.000 0.182 3.525     342.227     370.000      11.866   12 
+     70000       14000.00      53.936      -8.196      45.740   7.74 0.000   NaN   NaN 0.664     489.332     370.000      12.940   12 
+     80000       16000.00      48.087      25.279      73.366   7.80 0.000   NaN   NaN 3.374     436.273     370.000      12.733   12 
+     90000       18000.00      39.632       4.237      43.869   9.10 0.143 0.000 0.159 3.291     359.564     370.000      13.468   12 
+    100000       20000.00      45.517      -5.176      40.341   7.12 0.071 0.000 0.182 1.836     412.956     370.000       9.756   12 
+    110000       22000.00      50.830      -1.584      49.246   9.11 0.071 0.667 0.152 2.625     461.155     360.000      11.482   12 
+    120000       24000.00      40.585     -13.932      26.653   9.04 0.071 0.500 0.159 1.156     368.206     360.000      12.517   12 
+    130000       26000.00      42.760       0.851      43.612   9.73 0.000   NaN   NaN 4.416     387.944     360.000      13.673   12 
+    140000       28000.00      38.161      -0.769      37.392   9.25 0.071 0.500 0.136 2.884     346.214     360.000      12.754   12 
+    150000       30000.00      36.008     -11.129      24.879   7.73 0.143 0.333 0.182 2.650     326.685     360.000      11.124   12 
+    160000       32000.00      42.642      -3.367      39.274   8.15 0.143 0.333 0.197 2.005     386.867     360.000      11.549   12 
+    170000       34000.00      47.705      11.044      58.748   6.87 0.000   NaN   NaN 3.064     432.800     360.000       9.890   12 
+    180000       36000.00      43.961     -10.656      33.305   6.94 0.071 0.900 0.223 2.817     398.838     360.000       7.918   12 
+    190000       38000.00      45.636       5.795      51.431   7.88 0.000 1.000 0.227 2.593     414.032     360.000      11.690   12 
+    200000       40000.00      36.548      -8.764      27.785   8.11 0.071 0.667 0.182 3.059     331.586     360.000      10.567   12 
+    210000       42000.00      44.517     -13.540      30.977   7.04 0.214 0.400 0.145 4.052     403.878     350.000      10.943   12 
+    220000       44000.00      44.921     -10.034      34.887   5.81 0.071 0.800 0.218 2.146     407.543     350.000       8.498   12 
+    230000       46000.00      36.094       6.140      42.234   5.95 0.071 0.800 0.227 2.077     327.466     350.000       7.931   12 
+    240000       48000.00      30.646     -27.249       3.397   4.90 0.214 0.625 0.312 2.033     278.038     350.000       7.226   12 
+    250000       50000.00      37.766     -12.001      25.765   4.69 0.143 0.800 0.332 4.012     342.632     350.000       7.435   12 
+    260000       52000.00      41.574     -20.044      21.530   5.69 0.214 0.500 0.144 2.905     377.185     350.000       9.630   12 
+    270000       54000.00      31.065      -7.305      23.760   4.73 0.214 0.625 0.426 2.186     281.838     350.000       8.287   12 
+    280000       56000.00      46.819     -17.013      29.806   4.74 0.214 0.500 0.333 0.773     424.763     350.000       7.414   12 
+    290000       58000.00      39.902      -5.120      34.782   5.47 0.071 0.800 0.264 2.128     362.010     350.000       8.152   12 
+    300000       60000.00      39.994      -9.649      30.345   4.71 0.000 1.000 0.364 2.722     362.848     350.000       7.368   12 
+    310000       62000.00      41.661     -17.752      23.908   5.31 0.143 0.800 0.418 2.830     377.968     370.000       7.043   12 
+    320000       64000.00      45.904      -1.575      44.329   4.79 0.143 0.778 0.359 2.770     416.465     370.000       7.769   12 
+    330000       66000.00      50.844       1.423      52.267   4.52 0.071 0.500 0.159 1.232     461.282     370.000       8.971   12 
+    340000       68000.00      42.722      -9.787      32.935   4.90 0.000 1.000 0.424 1.989     387.598     370.000       9.137   12 
+    350000       70000.00      33.625       6.400      40.025   5.26 0.000   NaN   NaN 2.506     305.064     370.000       9.491   12 
+    360000       72000.00      45.787      -4.569      41.218   6.91 0.000 1.000 0.136 1.162     415.400     370.000      11.438   12 
+    370000       74000.00      47.480      -5.684      41.795   6.91 0.143 0.500 0.170 2.044     430.760     370.000      10.511   12 
+    380000       76000.00      53.967      14.536      68.504   8.38 0.000   NaN   NaN 2.738     489.618     370.000      13.002   12 
+    390000       78000.00      40.574      -6.358      34.216   8.65 0.000   NaN   NaN 1.312     368.107     370.000      12.653   12 
+    400000       80000.00      37.604       3.937      41.541   8.76 0.071 0.500 0.159 3.355     341.166     370.000      12.261   12 
+    410000       82000.00      40.591      10.136      50.728   8.43 0.000 1.000 0.182 2.552     368.266     360.000      13.243   12 
+    420000       84000.00      41.616       2.643      44.259   8.13 0.071 0.000 0.182 1.410     377.561     360.000      12.829   12 
+    430000       86000.00      40.212      -2.400      37.812  12.26 0.000   NaN   NaN 1.293     364.828     360.000      16.006   12 
+    440000       88000.00      36.598      -7.117      29.481   9.65 0.000   NaN   NaN 2.785     332.035     360.000      14.293   12 
+    450000       90000.00      34.812      12.189      47.001  11.26 0.071 0.500 0.159 2.276     315.835     360.000      13.921   12 
+    460000       92000.00      38.766      -4.306      34.460  10.96 0.000   NaN   NaN 1.685     351.703     360.000      14.656   12 
+    470000       94000.00      40.951      -1.197      39.754   8.18 0.000 1.000 0.182 1.436     371.525     360.000      10.581   12 
+    480000       96000.00      36.703      -8.518      28.185   5.97 0.000 1.000 0.258 1.699     332.986     360.000       9.485   12 
+    490000       98000.00      45.771       8.744      54.514   5.39 0.143 0.800 0.345 2.414     415.257     360.000       7.981   12 
+    500000      100000.00      43.634      -6.262      37.372   5.00 0.000 1.000 0.682 1.419     395.873     360.000       8.563   12 
+    510000      102000.00      37.360     -12.317      25.043   6.92 0.071 0.500 0.205 1.180     338.948     350.000      11.254   12 
+    520000      104000.00      40.856      -7.977      32.879   6.33 0.143 0.600 0.300 1.398     370.668     350.000       8.695   12 
+    530000      106000.00      36.590      -1.481      35.109   8.80 0.143 0.000 0.205 2.062     331.965     350.000       9.961   12 
+    540000      108000.00      46.165      -4.144      42.022   8.41 0.071 0.500 0.364 2.450     418.836     350.000      10.933   12 
+    550000      110000.00      39.137     -19.961      19.176   6.16 0.143 0.667 0.205 3.279     355.069     350.000       8.889   12 
+    560000      112000.00      40.985       8.258      49.243   6.45 0.071 0.000 0.136 1.598     371.841     350.000      11.348   12 
+    570000      114000.00      36.099      -2.564      33.536   5.85 0.000 1.000 0.500 2.229     327.513     350.000      10.140   12 
+    580000      116000.00      38.503       2.457      40.960   5.00 0.000 1.000 0.545 1.647     349.319     350.000       9.534   12 
+    590000      118000.00      46.322      -9.521      36.801   5.14 0.071 0.667 0.303 1.315     420.257     350.000       9.139   12 
+    600000      120000.00      33.719      11.091      44.810   6.10 0.143 0.667 0.295 3.598     305.917     350.000       8.574   12 
+    610000      122000.00      41.646     -24.964      16.682   5.92 0.214 0.571 0.305 1.294     377.830     340.000       7.755   12 
+    620000      124000.00      55.090     -13.816      41.274   5.17 0.143 0.778 0.283 2.712     499.801     340.000       8.071   12 
+    630000      126000.00      38.996     -22.610      16.385   3.40 0.214 0.625 0.250 1.713     353.788     340.000       7.054   12 
+    640000      128000.00      47.499     -18.032      29.468   5.88 0.143 0.750 0.290 1.883     430.938     340.000       7.529   12 
+    650000      130000.00      33.242      -5.500      27.741   3.77 0.071 0.875 0.347 3.171     301.584     340.000       7.678   12 
+    660000      132000.00      35.684      -7.342      28.342   3.38 0.286 0.200 0.464 2.077     323.743     340.000       7.617   12 
+    670000      134000.00      34.741     -15.759      18.982   3.10 0.286 0.556 0.389 2.194     315.187     340.000       7.180   12 
+    680000      136000.00      43.535     -18.985      24.550   4.42 0.143 0.846 0.409 1.341     394.971     340.000       6.533   12 
+    690000      138000.00      33.039       1.288      34.327   5.64 0.000 1.000 0.409 1.153     299.748     340.000       8.731   12 
+    700000      140000.00      43.322      -6.540      36.782   5.38 0.071 0.800 0.391 2.636     393.039     340.000       9.611   12 
+    710000      142000.00      45.887     -18.462      27.425   5.78 0.071 0.667 0.667 1.259     416.310     350.000       9.713   12 
+    720000      144000.00      37.230      -4.259      32.972   5.17 0.071 0.500 0.386 1.151     337.772     350.000       9.213   12 
+    730000      146000.00      41.856      -9.243      32.614   5.32 0.000   NaN   NaN 2.619     379.743     350.000       9.041   12 
+    740000      148000.00      40.523      -6.186      34.337   7.85 0.000   NaN   NaN 2.061     367.647     350.000      12.659   12 
+    750000      150000.00      41.367     -17.039      24.328   5.61 0.000 1.000 0.432 1.761     375.302     350.000       8.878   12 
+    760000      152000.00      40.564      -0.976      39.588   6.28 0.000 1.000 0.600 1.444     368.017     350.000       9.367   12 
+    770000      154000.00      43.459      -6.092      37.367   6.57 0.071 0.000 0.182 1.839     394.279     350.000      10.666   12 
+    780000      156000.00      35.878     -21.059      14.820   6.54 0.143 0.667 0.265 0.935     325.507     350.000       9.040   12 
+    790000      158000.00      32.500     -11.373      21.127   6.68 0.071 0.800 0.309 1.727     294.858     350.000       9.255   12 
+    800000      160000.00      41.351     -10.272      31.079   6.05 0.071 0.750 0.364 1.794     375.162     350.000       8.741   12 
+    810000      162000.00      50.997     -15.666      35.331   5.52 0.143 0.667 0.348 2.487     462.676     340.000       8.160   12 
+    820000      164000.00      43.170      -8.227      34.942   4.80 0.071 0.500 0.205 2.375     391.657     340.000       9.091   12 
+    830000      166000.00      44.090     -24.398      19.692   4.97 0.071 0.889 0.551 2.639     400.009     340.000       7.231   12 
+    840000      168000.00      41.992      -9.918      32.075   5.22 0.214 0.700 0.259 3.143     380.977     340.000       7.195   12 
+    850000      170000.00      32.759     -27.828       4.932   5.08 0.143 0.750 0.335 3.510     297.211     340.000       7.627   12 
+    860000      172000.00      48.558     -20.544      28.014   5.55 0.214 0.571 0.292 2.338     440.540     340.000       7.511   12 
+    870000      174000.00      37.886      -5.526      32.360   5.58 0.143 0.667 0.356 1.903     343.718     340.000       7.346   12 
+    880000      176000.00      36.832      -9.940      26.891   4.99 0.357 0.500 0.373 4.632     334.155     340.000       7.298   12 
+    890000      178000.00      38.803     -35.170       3.633   6.03 0.286 0.636 0.343 0.925     352.045     340.000       6.930   12 
+    900000      180000.00      41.782     -15.719      26.062   4.77 0.071 0.750 0.455 3.019     379.066     340.000       8.140   12 
+    910000      182000.00      42.766     -26.475      16.291   4.41 0.143 0.714 0.273 3.431     387.996     330.000       7.263   12 
+    920000      184000.00      31.910     -23.675       8.235   5.74 0.286 0.600 0.327 2.828     289.507     330.000       7.254   12 
+    930000      186000.00      29.145     -23.416       5.729   7.51 0.143 0.333 0.197 1.875     264.419     330.000       8.445   12 
+    940000      188000.00      42.118     -33.097       9.022   5.04 0.214 0.500 0.174 4.009     382.119     330.000       7.287   12 
+    950000      190000.00      34.272     -16.162      18.110   4.42 0.214 0.400 0.173 4.299     310.931     330.000       8.044   12 
+    960000      192000.00      33.556     -24.597       8.960   4.49 0.286 0.600 0.282 2.117     304.441     330.000       7.511   12 
+    970000      194000.00      37.306     -19.117      18.189   4.23 0.214 0.667 0.328 3.275     338.458     330.000       7.365   12 
+    980000      196000.00      37.974     -21.704      16.270   4.92 0.286 0.200 0.164 1.494     344.523     330.000       7.682   12 
+    990000      198000.00      33.742     -40.755      -7.013   4.46 0.286 0.714 0.344 1.243     306.124     330.000       7.103   12 
+   1000000      200000.00      38.025     -10.530      27.495   5.15 0.143 0.500 0.239 1.617     344.981     330.000       7.887   12 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB013.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB013.stat
index 219f2af..3eca600 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB013.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB013.stat
@@ -1,101 +1,101 @@
-         0           0.00      42.203      20.934      63.137  12.87 0.000   NaN   NaN 0.931     382.891     380.000      15.552   13 
-     10000        2000.00      52.773       8.905      61.678   7.65 0.000 1.000 0.318 2.140     478.786     380.000      10.449   13 
-     20000        4000.00      42.088       0.025      42.113   9.57 0.000   NaN   NaN 2.557     381.843     380.000      12.434   13 
-     30000        6000.00      43.756       4.811      48.567  10.38 0.000 1.000 0.250 2.788     396.978     380.000      14.069   13 
-     40000        8000.00      49.986       7.230      57.216  11.24 0.000 1.000 0.136 2.663     453.499     380.000      14.612   13 
-     50000       10000.00      39.120     -12.524      26.596  12.26 0.000 1.000 0.136 1.910     354.913     380.000      15.339   13 
-     60000       12000.00      54.260      -7.485      46.775  10.04 0.000 1.000 0.159 4.036     492.271     380.000      13.380   13 
-     70000       14000.00      42.842      -7.689      35.152   8.34 0.143 0.500 0.182 1.305     388.683     380.000      11.701   13 
-     80000       16000.00      39.353      -2.269      37.084  12.60 0.071 0.500 0.136 1.692     357.032     380.000      15.818   13 
-     90000       18000.00      49.646       7.927      57.572   9.49 0.071 0.000 0.136 1.570     450.410     380.000      13.017   13 
-    100000       20000.00      50.070      -5.021      45.048   9.01 0.143 0.600 0.291 1.513     454.260     380.000      11.125   13 
-    110000       22000.00      57.186       7.480      64.667   8.84 0.143 0.000 0.159 2.829     518.823     400.000      10.738   13 
-    120000       24000.00      48.000       1.298      49.297   7.94 0.000 1.000 0.250 2.173     435.479     400.000      10.845   13 
-    130000       26000.00      60.878      -4.678      56.200   7.53 0.143 0.500 0.227 1.739     552.317     400.000       9.241   13 
-    140000       28000.00      44.507      -6.634      37.873   7.93 0.143 0.333 0.182 1.129     403.786     400.000      10.957   13 
-    150000       30000.00      34.808      -2.358      32.450   8.35 0.000 1.000 0.136 1.157     315.795     400.000      12.471   13 
-    160000       32000.00      55.979      -3.162      52.817   7.43 0.000   NaN   NaN 3.088     507.871     400.000      12.075   13 
-    170000       34000.00      44.576      -4.004      40.572   9.10 0.071 0.500 0.182 3.280     404.419     400.000      12.088   13 
-    180000       36000.00      50.789      -9.711      41.079   7.63 0.143 0.333 0.152 1.922     460.787     400.000      10.574   13 
-    190000       38000.00      47.877      -1.437      46.441   5.38 0.000 1.000 0.530 1.854     434.368     400.000       8.271   13 
-    200000       40000.00      48.806      -6.084      42.722   8.91 0.143 0.333 0.273 1.336     442.792     400.000      10.332   13 
-    210000       42000.00      32.611      -6.474      26.137   8.70 0.071 0.000 0.136 3.187     295.865     390.000      11.987   13 
-    220000       44000.00      38.664      -5.255      33.409   7.42 0.000 1.000 0.545 1.365     350.781     390.000       9.640   13 
-    230000       46000.00      45.748       6.437      52.185   7.37 0.071 0.667 0.136 2.564     415.048     390.000      10.733   13 
-    240000       48000.00      41.553      -3.909      37.644   5.58 0.000 1.000 0.205 1.697     376.990     390.000       9.515   13 
-    250000       50000.00      40.832      -1.077      39.755   5.71 0.071 0.500 0.341 2.367     370.447     390.000       9.226   13 
-    260000       52000.00      39.798      -7.022      32.776   4.81 0.000 1.000 0.455 1.468     361.072     390.000       9.045   13 
-    270000       54000.00      43.487      -8.959      34.528   5.26 0.143 0.667 0.402 2.091     394.533     390.000       7.512   13 
-    280000       56000.00      46.551      -9.999      36.552   5.48 0.143 0.667 0.288 2.194     422.337     390.000       8.309   13 
-    290000       58000.00      48.893      -3.301      45.592   5.20 0.000 1.000 0.500 1.877     443.585     390.000       8.345   13 
-    300000       60000.00      41.469     -15.513      25.956   5.35 0.286 0.500 0.420 1.634     376.231     390.000       8.529   13 
-    310000       62000.00      35.439       2.576      38.015   5.83 0.071 0.800 0.291 3.289     321.522     380.000       8.637   13 
-    320000       64000.00      42.575      -1.557      41.019   5.87 0.214 0.700 0.568 2.436     386.267     380.000       8.015   13 
-    330000       66000.00      46.424      -9.608      36.816   5.64 0.071 0.667 0.561 2.585     421.185     380.000       7.939   13 
-    340000       68000.00      45.010     -18.122      26.888   5.77 0.071 0.875 0.341 2.345     408.356     380.000       7.246   13 
-    350000       70000.00      42.067     -10.589      31.478   5.58 0.000 1.000 0.573 1.051     381.657     380.000       9.031   13 
-    360000       72000.00      50.499     -29.565      20.934   4.37 0.214 0.700 0.314 1.898     458.149     380.000       7.708   13 
-    370000       74000.00      49.532      -1.778      47.755   6.66 0.071 0.750 0.182 2.342     449.381     380.000       9.615   13 
-    380000       76000.00      30.995     -15.322      15.673   5.53 0.143 0.750 0.318 2.810     281.204     380.000       6.972   13 
-    390000       78000.00      41.760     -18.521      23.239   7.32 0.071 0.667 0.227 1.040     378.864     380.000       8.884   13 
-    400000       80000.00      38.191     -13.358      24.833   6.80 0.000 1.000 0.258 1.533     346.488     380.000       8.415   13 
-    410000       82000.00      52.613      -5.652      46.961   7.20 0.071 0.667 0.152 5.164     477.331     370.000      10.403   13 
-    420000       84000.00      43.335       4.536      47.871   7.91 0.071 0.500 0.136 3.502     393.159     370.000      11.293   13 
-    430000       86000.00      47.474      -6.855      40.619   9.07 0.000 1.000 0.242 2.416     430.709     370.000      12.300   13 
-    440000       88000.00      37.050       5.565      42.615   6.78 0.214 0.625 0.188 2.702     336.140     370.000       9.744   13 
-    450000       90000.00      52.864      -6.825      46.039   8.01 0.071 0.667 0.197 2.449     479.611     370.000      11.319   13 
-    460000       92000.00      38.830       6.789      45.619   7.34 0.000 1.000 0.159 3.026     352.284     370.000      10.467   13 
-    470000       94000.00      47.604     -19.399      28.205   5.81 0.071 0.889 0.384 1.429     431.888     370.000       7.674   13 
-    480000       96000.00      41.182     -10.107      31.075   6.07 0.000 1.000 0.491 1.649     373.621     370.000       7.724   13 
-    490000       98000.00      39.486     -10.577      28.909   5.77 0.071 0.875 0.511 2.990     358.237     370.000       7.524   13 
-    500000      100000.00      45.676     -22.488      23.188   6.46 0.143 0.800 0.414 1.834     414.394     370.000       7.152   13 
-    510000      102000.00      58.951     -16.741      42.210   5.73 0.214 0.700 0.459 1.213     534.834     360.000       7.084   13 
-    520000      104000.00      53.341       7.317      60.658   5.17 0.071 0.875 0.426 1.584     483.934     360.000       7.346   13 
-    530000      106000.00      44.174     -10.873      33.301   5.20 0.071 0.800 0.573 1.643     400.769     360.000       8.768   13 
-    540000      108000.00      42.755     -14.789      27.966   5.68 0.143 0.600 0.209 2.262     387.900     360.000       7.776   13 
-    550000      110000.00      44.931     -25.448      19.482   5.01 0.214 0.625 0.324 0.727     407.633     360.000       7.305   13 
-    560000      112000.00      55.731     -17.715      38.016   6.24 0.143 0.714 0.273 0.525     505.621     360.000       7.583   13 
-    570000      114000.00      42.326     -27.586      14.739   6.18 0.143 0.714 0.539 2.430     383.999     360.000       7.450   13 
-    580000      116000.00      35.151     -16.420      18.730   6.65 0.071 0.667 0.379 3.445     318.906     360.000       7.888   13 
-    590000      118000.00      47.368     -18.818      28.550   4.08 0.143 0.667 0.508 2.916     429.747     360.000       8.163   13 
-    600000      120000.00      42.282     -13.306      28.976   5.14 0.143 0.667 0.485 1.396     383.608     360.000       8.572   13 
-    610000      122000.00      40.904     -29.744      11.160   5.12 0.214 0.625 0.335 1.308     371.101     350.000       8.771   13 
-    620000      124000.00      52.091     -19.281      32.811   5.53 0.000 1.000 0.326 1.352     472.600     350.000       8.506   13 
-    630000      126000.00      44.708     -19.376      25.332   5.92 0.071 0.875 0.614 1.301     405.613     350.000       8.203   13 
-    640000      128000.00      43.486     -16.085      27.402   4.69 0.071 0.750 0.659 1.450     394.528     350.000       8.089   13 
-    650000      130000.00      44.872     -11.833      33.039   4.83 0.143 0.500 0.477 2.594     407.102     350.000       8.819   13 
-    660000      132000.00      33.357     -33.301       0.055   5.35 0.214 0.667 0.242 0.927     302.630     350.000       8.110   13 
-    670000      134000.00      29.663     -30.062      -0.399   6.58 0.071 0.500 0.273 0.982     269.115     350.000       9.854   13 
-    680000      136000.00      37.591     -16.972      20.619   4.88 0.071 0.800 0.200 1.471     341.047     350.000       8.988   13 
-    690000      138000.00      35.737     -15.446      20.291   3.99 0.143 0.800 0.423 1.225     324.227     350.000       7.929   13 
-    700000      140000.00      34.817     -39.268      -4.451   5.17 0.214 0.727 0.388 2.945     315.881     350.000       7.676   13 
-    710000      142000.00      37.507     -20.622      16.885   5.98 0.143 0.778 0.434 1.919     340.284     340.000       8.559   13 
-    720000      144000.00      37.705     -28.460       9.245   5.20 0.143 0.750 0.477 1.399     342.081     340.000       7.441   13 
-    730000      146000.00      39.250     -35.978       3.273   6.10 0.143 0.846 0.476 1.391     356.101     340.000       7.633   13 
-    740000      148000.00      39.393     -32.048       7.345   5.73 0.143 0.714 0.325 1.051     357.391     340.000       8.107   13 
-    750000      150000.00      31.399     -13.991      17.408   5.30 0.000 1.000 0.439 1.231     284.872     340.000       7.983   13 
-    760000      152000.00      40.951     -33.331       7.619   5.01 0.143 0.833 0.394 1.901     371.525     340.000       6.860   13 
-    770000      154000.00      32.572     -30.679       1.892   5.08 0.143 0.800 0.327 1.260     295.507     340.000       7.273   13 
-    780000      156000.00      37.782     -29.676       8.107   5.18 0.429 0.600 0.339 1.024     342.782     340.000       7.296   13 
-    790000      158000.00      37.798     -26.586      11.211   3.96 0.143 0.500 0.386 1.853     342.919     340.000       7.613   13 
-    800000      160000.00      38.081     -28.631       9.450   4.53 0.143 0.778 0.389 1.335     345.487     340.000       7.309   13 
-    810000      162000.00      33.972     -26.531       7.440   4.26 0.286 0.692 0.388 1.328     308.211     330.000       7.465   13 
-    820000      164000.00      40.084     -32.604       7.480   4.46 0.214 0.700 0.318 2.145     363.664     330.000       7.390   13 
-    830000      166000.00      38.662     -32.086       6.576   3.73 0.286 0.600 0.309 2.691     350.764     330.000       7.270   13 
-    840000      168000.00      30.477     -22.301       8.176   4.14 0.286 0.500 0.426 1.487     276.502     330.000       7.406   13 
-    850000      170000.00      34.587     -33.025       1.562   3.78 0.214 0.727 0.376 1.747     313.789     330.000       6.821   13 
-    860000      172000.00      33.526     -29.078       4.448   4.54 0.071 0.909 0.318 2.335     304.166     330.000       6.750   13 
-    870000      174000.00      47.483     -32.098      15.385   4.18 0.286 0.714 0.403 1.270     430.789     330.000       7.293   13 
-    880000      176000.00      40.343     -25.687      14.655   3.90 0.143 0.750 0.341 1.972     366.009     330.000       7.468   13 
-    890000      178000.00      41.381     -32.716       8.664   4.84 0.286 0.200 0.282 1.133     375.426     330.000       7.470   13 
-    900000      180000.00      39.834     -36.316       3.518   4.85 0.357 0.583 0.458 1.622     361.393     330.000       7.078   13 
-    910000      182000.00      45.105     -25.858      19.247   5.01 0.143 0.800 0.491 1.922     409.213     320.000       7.571   13 
-    920000      184000.00      40.209     -30.043      10.166   4.48 0.143 0.500 0.273 1.858     364.799     320.000       7.905   13 
-    930000      186000.00      32.193     -37.337      -5.144   5.56 0.214 0.769 0.458 2.709     292.069     320.000       7.083   13 
-    940000      188000.00      35.729     -35.647       0.082   5.55 0.143 0.800 0.400 1.462     324.150     320.000       6.845   13 
-    950000      190000.00      33.664     -30.957       2.707   5.99 0.143 0.818 0.376 2.807     305.417     320.000       7.292   13 
-    960000      192000.00      38.127     -42.916      -4.789   4.71 0.143 0.833 0.367 1.635     345.909     320.000       7.220   13 
-    970000      194000.00      36.767     -30.937       5.831   5.12 0.143 0.800 0.445 0.789     333.574     320.000       7.114   13 
-    980000      196000.00      42.895     -32.293      10.602   5.01 0.286 0.556 0.318 2.816     389.167     320.000       7.066   13 
-    990000      198000.00      35.122     -21.677      13.445   5.65 0.214 0.769 0.336 2.791     318.646     320.000       6.718   13 
-   1000000      200000.00      39.191     -44.424      -5.234   3.82 0.286 0.636 0.347 2.389     355.557     320.000       6.940   13 
+         0           0.00      37.698      24.549      62.247  12.87 0.000   NaN   NaN 0.712     342.015     380.000      15.552   13 
+     10000        2000.00      60.055      14.221      74.276  11.49 0.000 1.000 0.136 3.652     544.852     380.000      15.403   13 
+     20000        4000.00      49.853      11.893      61.746   9.31 0.071 0.500 0.136 2.543     452.290     380.000      13.640   13 
+     30000        6000.00      49.478       0.062      49.540  10.99 0.071 0.500 0.136 2.434     448.886     380.000      13.380   13 
+     40000        8000.00      49.315       5.538      54.853   7.20 0.000 1.000 0.136 1.741     447.411     380.000      10.398   13 
+     50000       10000.00      44.717      -2.035      42.682   5.90 0.143 0.500 0.170 3.011     405.693     380.000       8.946   13 
+     60000       12000.00      49.484       3.499      52.983   8.34 0.071 0.000 0.136 2.428     448.942     380.000      13.003   13 
+     70000       14000.00      47.686      20.079      67.765  10.62 0.000   NaN   NaN 3.047     432.635     380.000      13.659   13 
+     80000       16000.00      50.789       7.501      58.290  11.47 0.071 0.000 0.136 1.288     460.788     380.000      14.636   13 
+     90000       18000.00      41.998      -8.898      33.099  11.24 0.071 0.000 0.182 2.709     381.023     380.000      14.550   13 
+    100000       20000.00      45.395     -11.317      34.078   7.16 0.143 0.500 0.182 1.478     411.847     380.000       9.294   13 
+    110000       22000.00      34.713      -9.489      25.223   7.46 0.071 0.500 0.205 1.630     314.930     370.000       9.258   13 
+    120000       24000.00      46.774     -16.695      30.079   7.99 0.071 0.857 0.273 1.231     424.355     370.000       8.520   13 
+    130000       26000.00      40.833      -4.721      36.112   7.36 0.071 0.667 0.258 1.425     370.460     370.000       9.697   13 
+    140000       28000.00      47.400       3.072      50.472   8.13 0.000 1.000 0.227 2.677     430.041     370.000      11.851   13 
+    150000       30000.00      47.652      -5.109      42.543   4.46 0.214 0.500 0.227 1.301     432.327     370.000       8.560   13 
+    160000       32000.00      46.214     -13.051      33.162   4.87 0.143 0.667 0.379 2.698     419.274     370.000       8.415   13 
+    170000       34000.00      53.663      -5.967      47.696   6.63 0.143 0.714 0.331 1.786     486.860     370.000       7.881   13 
+    180000       36000.00      43.764       4.497      48.262   5.95 0.071 0.857 0.390 1.638     397.052     370.000       8.115   13 
+    190000       38000.00      47.792     -11.080      36.712   4.94 0.214 0.700 0.386 2.377     433.591     370.000       7.203   13 
+    200000       40000.00      36.705     -13.600      23.106   3.83 0.143 0.333 0.379 1.686     333.011     370.000       8.354   13 
+    210000       42000.00      42.907     -13.390      29.517   4.76 0.071 0.667 0.530 4.572     389.277     360.000       8.888   13 
+    220000       44000.00      32.303      -2.468      29.835   5.14 0.000 1.000 0.327 0.991     293.070     360.000       8.520   13 
+    230000       46000.00      36.622      -2.620      34.002   5.14 0.071 0.000 0.136 0.542     332.255     360.000       9.087   13 
+    240000       48000.00      37.241      -3.386      33.855   4.57 0.000 1.000 0.614 2.279     337.870     360.000       8.677   13 
+    250000       50000.00      41.551     -14.275      27.276   4.66 0.143 0.333 0.227 1.540     376.976     360.000       8.549   13 
+    260000       52000.00      37.742       0.925      38.667   4.60 0.000 1.000 0.439 2.364     342.411     360.000       8.626   13 
+    270000       54000.00      40.778     -13.006      27.772   4.79 0.286 0.556 0.273 1.584     369.962     360.000       9.274   13 
+    280000       56000.00      40.143     -11.994      28.149   5.88 0.143 0.500 0.330 2.535     364.201     360.000       8.779   13 
+    290000       58000.00      29.841      -4.137      25.704   4.27 0.214 0.571 0.182 1.707     270.732     360.000       8.242   13 
+    300000       60000.00      38.486     -16.347      22.139   4.30 0.214 0.250 0.352 2.958     349.168     360.000       8.286   13 
+    310000       62000.00      46.662     -22.073      24.588   6.15 0.071 0.667 0.273 1.048     423.337     350.000       9.040   13 
+    320000       64000.00      49.285       2.319      51.604   6.60 0.000 1.000 0.402 1.655     447.142     350.000       8.916   13 
+    330000       66000.00      37.266      -0.561      36.705   6.62 0.000 1.000 0.250 0.984     338.094     350.000       9.188   13 
+    340000       68000.00      33.799      -5.484      28.314   5.88 0.143 0.500 0.330 1.927     306.639     350.000       9.013   13 
+    350000       70000.00      42.802      -7.805      34.997   5.36 0.000 1.000 0.424 1.933     388.324     350.000       8.679   13 
+    360000       72000.00      33.557      -2.693      30.864   5.93 0.000 1.000 0.489 2.417     304.442     350.000       8.839   13 
+    370000       74000.00      44.913      -8.949      35.964   6.01 0.071 0.667 0.424 1.892     407.473     350.000       8.872   13 
+    380000       76000.00      41.395      -9.722      31.673   6.12 0.000 1.000 0.318 1.929     375.553     350.000       7.745   13 
+    390000       78000.00      36.801     -10.679      26.122   5.68 0.071 0.500 0.614 1.651     333.882     350.000       7.340   13 
+    400000       80000.00      36.073      -0.932      35.141   5.37 0.071 0.750 0.409 3.082     327.273     350.000       7.900   13 
+    410000       82000.00      46.912      -2.461      44.451   5.07 0.071 0.500 0.386 3.322     425.605     390.000       8.871   13 
+    420000       84000.00      48.196       4.621      52.816   5.88 0.071 0.667 0.136 1.093     437.255     390.000      10.717   13 
+    430000       86000.00      46.856       1.913      48.769   5.82 0.000 1.000 0.242 1.486     425.102     390.000       9.688   13 
+    440000       88000.00      47.308       9.484      56.792   7.66 0.071 0.500 0.273 2.455     429.203     390.000      11.375   13 
+    450000       90000.00      51.744       4.564      56.308   7.35 0.000 1.000 0.409 1.349     469.447     390.000       9.276   13 
+    460000       92000.00      52.456      -4.587      47.869   5.51 0.071 0.750 0.193 1.193     475.907     390.000       8.185   13 
+    470000       94000.00      55.098       6.937      62.035   5.39 0.000 1.000 0.600 2.222     499.881     390.000       9.353   13 
+    480000       96000.00      42.801       9.617      52.418   3.79 0.071 0.750 0.159 2.510     388.316     390.000       8.432   13 
+    490000       98000.00      46.250     -16.450      29.799   6.72 0.071 0.500 0.159 1.342     419.599     390.000      10.098   13 
+    500000      100000.00      38.195       4.301      42.495   7.98 0.000   NaN   NaN 4.161     346.522     390.000      12.276   13 
+    510000      102000.00      56.182      20.404      76.585   9.37 0.071 0.500 0.227 2.733     509.709     400.000      12.024   13 
+    520000      104000.00      52.488      14.188      66.676  10.54 0.000 1.000 0.273 1.920     476.195     400.000      12.479   13 
+    530000      106000.00      53.958       2.550      56.507  12.56 0.071 0.500 0.159 1.833     489.530     400.000      15.616   13 
+    540000      108000.00      60.452      22.744      83.197   7.42 0.000   NaN   NaN 2.308     548.455     400.000      12.150   13 
+    550000      110000.00      60.928      -0.729      60.199   7.90 0.143 0.000 0.136 2.712     552.774     400.000      12.311   13 
+    560000      112000.00      41.662      17.118      58.780   6.32 0.000   NaN   NaN 1.961     377.980     400.000      11.113   13 
+    570000      114000.00      52.809     -14.161      38.648   7.34 0.071 0.800 0.255 2.079     479.112     400.000       8.215   13 
+    580000      116000.00      49.597      -1.111      48.486  11.62 0.000 1.000 0.136 1.720     449.974     400.000      14.210   13 
+    590000      118000.00      45.958       1.485      47.444  12.23 0.000   NaN   NaN 1.952     416.958     400.000      16.029   13 
+    600000      120000.00      56.339       8.424      64.764  10.15 0.000   NaN   NaN 3.149     511.141     400.000      14.425   13 
+    610000      122000.00      39.980       3.145      43.125   7.27 0.000 1.000 0.182 2.399     362.719     390.000      11.484   13 
+    620000      124000.00      43.288      -6.054      37.233   7.83 0.071 0.000 0.182 1.798     392.729     390.000      10.427   13 
+    630000      126000.00      55.319       6.180      61.499   9.61 0.071 0.500 0.205 2.831     501.879     390.000      13.196   13 
+    640000      128000.00      46.802      -3.584      43.218  11.06 0.000   NaN   NaN 1.821     424.613     390.000      14.338   13 
+    650000      130000.00      39.907      -4.192      35.716   9.13 0.000 1.000 0.227 3.351     362.061     390.000      10.977   13 
+    660000      132000.00      48.479      11.492      59.971   7.69 0.000   NaN   NaN 2.903     439.828     390.000      11.541   13 
+    670000      134000.00      40.131       3.207      43.337   8.94 0.000   NaN   NaN 2.008     364.087     390.000      13.011   13 
+    680000      136000.00      54.057       4.137      58.194   5.95 0.071 0.500 0.205 2.301     490.429     390.000       8.874   13 
+    690000      138000.00      56.437       1.486      57.923   6.85 0.000   NaN   NaN 2.116     512.025     390.000      10.690   13 
+    700000      140000.00      36.837       2.267      39.103   5.99 0.071 0.000 0.136 1.131     334.202     390.000      10.514   13 
+    710000      142000.00      38.395       0.715      39.110   4.95 0.071 0.667 0.652 2.139     348.336     380.000       9.782   13 
+    720000      144000.00      45.979     -10.209      35.770   4.71 0.214 0.500 0.432 1.097     417.145     380.000       8.201   13 
+    730000      146000.00      37.263      -6.552      30.711   3.95 0.214 0.571 0.403 3.447     338.067     380.000       8.486   13 
+    740000      148000.00      39.467      -8.379      31.088   4.08 0.000 1.000 0.227 2.011     358.069     380.000       8.481   13 
+    750000      150000.00      50.193      -5.729      44.464   4.52 0.000 1.000 0.348 2.434     455.375     380.000       8.570   13 
+    760000      152000.00      36.747      -7.564      29.183   6.09 0.143 0.333 0.152 1.734     333.389     380.000      10.254   13 
+    770000      154000.00      43.580      -0.449      43.132   5.93 0.000 1.000 0.159 2.250     395.382     380.000      10.537   13 
+    780000      156000.00      44.624      -3.832      40.792   9.49 0.071 0.000 0.136 3.700     404.848     380.000      12.722   13 
+    790000      158000.00      48.614       0.793      49.406   7.18 0.071 0.667 0.182 2.819     441.049     380.000       8.930   13 
+    800000      160000.00      49.976      -8.974      41.002   7.53 0.000 1.000 0.500 2.255     453.409     380.000       7.439   13 
+    810000      162000.00      43.100       2.718      45.817   5.74 0.143 0.333 0.152 1.963     391.023     370.000      10.612   13 
+    820000      164000.00      57.020      12.540      69.560   7.44 0.000   NaN   NaN 1.687     517.315     370.000      11.941   13 
+    830000      166000.00      35.083       2.864      37.947   5.61 0.000 1.000 0.318 1.322     318.291     370.000      10.143   13 
+    840000      168000.00      42.029     -11.389      30.640   5.88 0.071 0.500 0.409 1.850     381.312     370.000       9.630   13 
+    850000      170000.00      33.228      -5.691      27.537   6.04 0.071 0.800 0.255 2.728     301.464     370.000       7.997   13 
+    860000      172000.00      41.704       4.006      45.710   6.72 0.000 1.000 0.580 2.393     378.363     370.000       9.804   13 
+    870000      174000.00      44.020      -9.358      34.662   6.88 0.143 0.500 0.295 1.149     399.370     370.000       9.241   13 
+    880000      176000.00      46.423      10.512      56.935   6.22 0.071 0.500 0.182 3.584     421.172     370.000       9.947   13 
+    890000      178000.00      60.935      -3.356      57.579  10.04 0.000 1.000 0.227 1.417     552.836     370.000      14.216   13 
+    900000      180000.00      42.398     -13.872      28.526  12.50 0.071 0.500 0.182 1.395     384.655     370.000      15.316   13 
+    910000      182000.00      38.436      -7.892      30.544  10.01 0.071 0.750 0.205 3.671     348.715     360.000      13.900   13 
+    920000      184000.00      55.496      -0.566      54.929  10.45 0.000   NaN   NaN 3.192     503.485     360.000      14.495   13 
+    930000      186000.00      33.322       7.603      40.925   9.38 0.071 0.000 0.136 2.342     302.318     360.000      12.761   13 
+    940000      188000.00      38.216       6.851      45.067  11.67 0.000   NaN   NaN 3.030     346.717     360.000      14.777   13 
+    950000      190000.00      48.343      -8.536      39.807   9.56 0.071 0.000 0.182 1.944     438.592     360.000      12.821   13 
+    960000      192000.00      48.675      -4.639      44.036   8.12 0.143 0.000 0.136 1.378     441.605     360.000      12.005   13 
+    970000      194000.00      46.552     -17.395      29.157   9.18 0.143 0.500 0.159 1.357     422.346     360.000      13.154   13 
+    980000      196000.00      42.352       5.725      48.077   7.56 0.143 0.333 0.152 3.389     384.240     360.000      11.886   13 
+    990000      198000.00      42.175     -15.420      26.755   6.27 0.000 1.000 0.386 2.743     382.631     360.000       8.308   13 
+   1000000      200000.00      39.246      -5.244      34.002   5.58 0.071 0.500 0.682 1.848     356.062     360.000       8.519   13 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB014.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB014.stat
index 03317d0..ec2262f 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB014.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB014.stat
@@ -1,101 +1,101 @@
-         0           0.00      51.727      20.936      72.664  12.87 0.000   NaN   NaN 0.931     469.297     390.000      15.552   14 
-     10000        2000.00      45.994      -7.498      38.496  10.77 0.071 0.000 0.182 1.134     417.281     390.000      13.950   14 
-     20000        4000.00      40.323      -0.059      40.264   9.76 0.000 1.000 0.136 1.207     365.829     390.000      13.113   14 
-     30000        6000.00      46.226       1.066      47.292   5.99 0.000 1.000 0.159 1.174     419.386     390.000      10.493   14 
-     40000        8000.00      42.155     -10.794      31.361   4.66 0.143 0.500 0.148 2.980     382.450     390.000       8.886   14 
-     50000       10000.00      40.651     -14.622      26.030   4.75 0.143 0.500 0.466 1.172     368.809     390.000       9.203   14 
-     60000       12000.00      41.089     -12.025      29.064   4.65 0.143 0.714 0.442 1.700     372.782     390.000       8.506   14 
-     70000       14000.00      38.177     -17.998      20.179   5.09 0.143 0.714 0.390 1.404     346.359     390.000       8.773   14 
-     80000       16000.00      38.082      -7.333      30.748   5.00 0.071 0.800 0.545 0.927     345.497     390.000       8.141   14 
-     90000       18000.00      40.008      -9.349      30.659   3.82 0.000 1.000 0.455 1.071     362.973     390.000       8.649   14 
-    100000       20000.00      45.251     -13.323      31.928   4.88 0.000 1.000 0.333 1.443     410.542     390.000       8.229   14 
-    110000       22000.00      49.711      10.714      60.424   5.43 0.214 0.700 0.473 2.043     451.001     380.000       8.600   14 
-    120000       24000.00      46.070     -15.701      30.369   3.68 0.071 0.750 0.420 1.595     417.973     380.000       8.366   14 
-    130000       26000.00      41.589      -8.437      33.152   6.60 0.000 1.000 0.364 1.839     377.315     380.000       7.927   14 
-    140000       28000.00      43.748     -14.871      28.878   5.69 0.071 0.800 0.464 2.319     396.909     380.000       7.651   14 
-    150000       30000.00      43.720     -20.163      23.558   6.83 0.000 1.000 0.379 1.503     396.652     380.000       8.259   14 
-    160000       32000.00      41.655     -13.445      28.209   6.44 0.071 0.667 0.455 2.233     377.914     380.000       7.207   14 
-    170000       34000.00      50.037      -8.099      41.939   5.59 0.000 1.000 0.500 2.032     453.964     380.000       9.488   14 
-    180000       36000.00      39.483     -15.891      23.591   6.18 0.143 0.714 0.481 2.019     358.207     380.000       7.400   14 
-    190000       38000.00      46.415      -3.052      43.363   4.82 0.071 0.800 0.327 3.650     421.100     380.000       7.193   14 
-    200000       40000.00      48.893       4.516      53.410   4.72 0.000   NaN   NaN 3.425     443.586     380.000       9.498   14 
-    210000       42000.00      41.732      -2.472      39.259   3.99 0.143 0.333 0.182 2.173     378.611     400.000       8.724   14 
-    220000       44000.00      46.592      -6.415      40.177   5.08 0.000 1.000 0.443 2.032     422.709     400.000       8.474   14 
-    230000       46000.00      47.599       3.427      51.026   5.14 0.143 0.600 0.464 1.836     431.845     400.000       8.297   14 
-    240000       48000.00      54.840      -2.805      52.034   5.96 0.000 1.000 0.432 2.811     497.533     400.000       8.827   14 
-    250000       50000.00      49.839     -17.356      32.483   4.88 0.214 0.500 0.288 2.703     452.161     400.000       8.682   14 
-    260000       52000.00      45.400      -2.152      43.248   5.99 0.000 1.000 0.386 2.366     411.889     400.000       8.398   14 
-    270000       54000.00      50.082      -0.908      49.174   5.69 0.071 0.833 0.432 1.447     454.373     400.000       7.910   14 
-    280000       56000.00      55.059     -14.772      40.287   7.12 0.071 0.917 0.318 2.941     499.520     400.000       7.469   14 
-    290000       58000.00      44.459      -9.979      34.480   6.36 0.071 0.857 0.247 2.018     403.355     400.000       8.332   14 
-    300000       60000.00      49.454     -13.496      35.958   7.41 0.071 0.000 0.136 2.782     448.675     400.000      11.321   14 
-    310000       62000.00      38.147     -13.466      24.681   5.53 0.143 0.500 0.205 2.648     346.088     390.000       8.707   14 
-    320000       64000.00      36.938      -6.475      30.463   6.14 0.000 1.000 0.424 1.970     335.122     390.000       8.226   14 
-    330000       66000.00      50.708       5.837      56.545   7.46 0.000 1.000 0.364 1.174     460.051     390.000       8.857   14 
-    340000       68000.00      53.194      -0.152      53.041   4.70 0.000 1.000 0.682 3.610     482.600     390.000       8.854   14 
-    350000       70000.00      48.867     -12.314      36.553   4.17 0.143 0.667 0.492 1.275     443.346     390.000       8.181   14 
-    360000       72000.00      54.252      -7.710      46.542   6.26 0.143 0.778 0.439 2.293     492.205     390.000       7.634   14 
-    370000       74000.00      49.960      -2.966      46.993   6.01 0.000 1.000 0.227 1.628     453.259     390.000       9.772   14 
-    380000       76000.00      45.810      -8.498      37.313   5.49 0.071 0.500 0.227 0.659     415.615     390.000       8.619   14 
-    390000       78000.00      46.847     -14.992      31.854   5.23 0.143 0.500 0.568 1.901     425.017     390.000       8.591   14 
-    400000       80000.00      55.996     -10.571      45.425   3.90 0.143 0.778 0.389 2.023     508.026     390.000       8.119   14 
-    410000       82000.00      47.412     -19.584      27.828   5.58 0.071 0.909 0.351 2.040     430.145     380.000       7.124   14 
-    420000       84000.00      55.277     -17.176      38.100   5.49 0.000 1.000 0.288 2.184     501.498     380.000       8.344   14 
-    430000       86000.00      39.737      -2.627      37.110   5.10 0.000 1.000 0.386 1.801     360.513     380.000       8.816   14 
-    440000       88000.00      57.013       7.149      64.161   5.33 0.000 1.000 0.379 2.922     517.250     380.000       9.099   14 
-    450000       90000.00      52.009     -20.078      31.930   5.07 0.000 1.000 0.565 1.588     471.849     380.000       7.969   14 
-    460000       92000.00      44.100     -13.518      30.582   5.48 0.000 1.000 0.286 1.705     400.101     380.000       7.937   14 
-    470000       94000.00      45.772      -2.523      43.249   7.39 0.143 0.500 0.227 1.208     415.270     380.000      10.655   14 
-    480000       96000.00      53.355     -14.375      38.980   5.11 0.071 0.833 0.265 2.201     484.061     380.000       8.385   14 
-    490000       98000.00      52.743     -15.654      37.089   5.90 0.286 0.500 0.210 1.063     478.509     380.000       8.902   14 
-    500000      100000.00      56.462     -13.078      43.384   5.28 0.071 0.800 0.209 3.446     512.256     380.000       8.688   14 
-    510000      102000.00      49.464      -1.419      48.045   7.26 0.071 0.750 0.170 2.401     448.764     370.000      10.806   14 
-    520000      104000.00      43.775       1.595      45.370   9.06 0.000 1.000 0.212 1.595     397.148     370.000      12.669   14 
-    530000      106000.00      43.665      -8.090      35.575   8.34 0.000 1.000 0.136 2.350     396.151     370.000      13.029   14 
-    540000      108000.00      55.620       2.347      57.967   7.80 0.071 0.750 0.193 3.330     504.611     370.000      10.032   14 
-    550000      110000.00      34.185      -7.775      26.410   7.90 0.071 0.800 0.364 2.324     310.148     370.000      10.232   14 
-    560000      112000.00      45.286     -12.870      32.416   7.68 0.071 0.667 0.227 2.532     410.859     370.000      10.855   14 
-    570000      114000.00      41.984      -7.693      34.291   8.59 0.071 0.000 0.182 1.248     380.903     370.000      13.064   14 
-    580000      116000.00      51.877      -3.970      47.907   7.36 0.071 0.000 0.136 3.723     470.654     370.000      11.085   14 
-    590000      118000.00      47.836      -1.994      45.842   6.24 0.071 0.667 0.136 1.506     433.991     370.000       8.162   14 
-    600000      120000.00      43.357     -16.118      27.239   4.63 0.143 0.750 0.358 2.329     393.356     370.000       7.571   14 
-    610000      122000.00      34.570     -21.843      12.727   4.83 0.071 0.900 0.332 1.635     313.635     360.000       7.172   14 
-    620000      124000.00      44.611     -18.874      25.738   4.83 0.143 0.833 0.383 1.565     404.738     360.000       7.213   14 
-    630000      126000.00      42.303     -19.767      22.536   4.15 0.214 0.500 0.280 1.516     383.794     360.000       7.944   14 
-    640000      128000.00      48.221     -37.951      10.270   5.36 0.071 0.833 0.235 2.341     437.487     360.000       7.672   14 
-    650000      130000.00      35.563     -22.565      12.998   5.92 0.143 0.800 0.241 2.038     322.645     360.000       6.836   14 
-    660000      132000.00      43.734     -27.213      16.522   7.11 0.143 0.818 0.293 2.204     396.781     360.000       6.785   14 
-    670000      134000.00      47.337     -20.244      27.093   6.78 0.071 0.875 0.278 1.287     429.464     360.000       7.154   14 
-    680000      136000.00      33.880     -17.385      16.495   6.92 0.214 0.700 0.214 2.305     307.373     360.000       7.115   14 
-    690000      138000.00      39.822     -12.005      27.817   6.87 0.143 0.500 0.182 5.004     361.285     360.000       8.243   14 
-    700000      140000.00      38.278      -9.269      29.009   4.96 0.071 0.500 0.205 2.975     347.277     360.000       7.798   14 
-    710000      142000.00      37.841     -27.025      10.816   5.19 0.071 0.875 0.415 1.810     343.317     350.000       7.418   14 
-    720000      144000.00      32.911     -11.297      21.614   5.68 0.071 0.857 0.377 2.470     298.581     350.000       7.672   14 
-    730000      146000.00      39.326       5.596      44.922   6.39 0.000 1.000 0.318 1.971     356.786     350.000       9.822   14 
-    740000      148000.00      37.310     -15.088      22.222   4.51 0.071 0.800 0.536 1.067     338.494     350.000       8.807   14 
-    750000      150000.00      35.830     -28.425       7.405   3.40 0.286 0.667 0.394 3.605     325.065     350.000       7.633   14 
-    760000      152000.00      40.251     -15.940      24.311   3.97 0.143 0.714 0.286 1.149     365.179     350.000       7.393   14 
-    770000      154000.00      57.130     -13.577      43.553   5.46 0.000 1.000 0.473 3.128     518.315     350.000       8.581   14 
-    780000      156000.00      36.722      -6.698      30.024   5.34 0.143 0.600 0.418 1.972     333.157     350.000       8.906   14 
-    790000      158000.00      42.428     -22.057      20.371   5.85 0.071 0.833 0.432 2.315     384.933     350.000       7.536   14 
-    800000      160000.00      38.532     -14.100      24.432   5.64 0.071 0.800 0.664 1.923     349.581     350.000       9.268   14 
-    810000      162000.00      36.053     -23.086      12.967   5.59 0.071 0.800 0.264 2.626     327.094     340.000       8.484   14 
-    820000      164000.00      44.034     -17.680      26.354   5.73 0.143 0.750 0.472 2.124     399.503     340.000       8.630   14 
-    830000      166000.00      50.116      -4.888      45.229   5.96 0.000 1.000 0.682 2.238     454.683     340.000       8.603   14 
-    840000      168000.00      38.647      -7.707      30.939   5.28 0.143 0.750 0.494 3.182     350.621     340.000       8.239   14 
-    850000      170000.00      42.228     -23.583      18.645   5.62 0.143 0.500 0.500 1.951     383.118     340.000       8.943   14 
-    860000      172000.00      39.218     -28.978      10.240   5.51 0.143 0.714 0.565 2.391     355.803     340.000       8.810   14 
-    870000      174000.00      34.299     -24.535       9.763   6.39 0.071 0.889 0.419 1.292     311.174     340.000       7.643   14 
-    880000      176000.00      31.933     -28.685       3.249   5.73 0.071 0.857 0.545 1.582     289.717     340.000       8.030   14 
-    890000      178000.00      39.045     -16.186      22.859   5.69 0.143 0.750 0.438 3.188     354.238     340.000       9.017   14 
-    900000      180000.00      53.661     -17.096      36.565   6.15 0.000 1.000 0.700 3.723     486.840     340.000       8.398   14 
-    910000      182000.00      41.919     -35.579       6.341   6.06 0.071 0.833 0.417 1.371     380.313     340.000       7.095   14 
-    920000      184000.00      28.764     -20.663       8.101   6.77 0.071 0.900 0.464 1.896     260.966     340.000       6.723   14 
-    930000      186000.00      41.342     -32.192       9.150   6.46 0.214 0.700 0.332 1.513     375.079     340.000       6.762   14 
-    940000      188000.00      45.464     -31.417      14.047   7.03 0.071 0.900 0.386 1.148     412.476     340.000       7.239   14 
-    950000      190000.00      33.051     -14.120      18.931   6.60 0.214 0.727 0.479 2.230     299.857     340.000       7.277   14 
-    960000      192000.00      34.694     -32.306       2.388   6.84 0.214 0.727 0.426 2.328     314.761     340.000       7.361   14 
-    970000      194000.00      29.094     -17.719      11.375   6.31 0.071 0.889 0.303 1.609     263.953     340.000       7.175   14 
-    980000      196000.00      47.253     -12.288      34.965   6.06 0.000 1.000 0.328 1.415     428.701     340.000       7.336   14 
-    990000      198000.00      45.752     -15.382      30.370   6.99 0.071 0.833 0.394 1.595     415.086     340.000       7.447   14 
-   1000000      200000.00      51.528     -25.470      26.058   6.07 0.286 0.556 0.414 1.242     467.492     340.000       7.192   14 
+         0           0.00      53.926      24.551      78.477  12.87 0.000   NaN   NaN 0.714     489.243     390.000      15.552   14 
+     10000        2000.00      39.117      -0.091      39.026  10.50 0.000   NaN   NaN 3.003     354.888     390.000      13.955   14 
+     20000        4000.00      34.820      -9.224      25.596   9.15 0.000 1.000 0.136 2.175     315.908     390.000      13.242   14 
+     30000        6000.00      43.745       7.016      50.760   5.78 0.071 0.500 0.159 2.796     396.875     390.000      10.526   14 
+     40000        8000.00      45.676       0.096      45.772   7.29 0.000 1.000 0.258 3.350     414.394     390.000      10.805   14 
+     50000       10000.00      55.259       3.422      58.680   6.16 0.071 0.800 0.300 1.505     501.335     390.000       8.928   14 
+     60000       12000.00      36.375      -1.926      34.449   5.99 0.214 0.000 0.152 2.678     330.013     390.000      10.117   14 
+     70000       14000.00      47.942       1.769      49.712   7.04 0.071 0.000 0.136 2.751     434.956     390.000      11.624   14 
+     80000       16000.00      45.090      -4.230      40.860   6.81 0.000 1.000 0.455 1.451     409.080     390.000      10.740   14 
+     90000       18000.00      49.554      -5.363      44.191   4.84 0.071 0.800 0.427 2.868     449.584     390.000       8.432   14 
+    100000       20000.00      38.727      -3.508      35.219   4.56 0.000 1.000 0.239 1.903     351.352     390.000       8.406   14 
+    110000       22000.00      52.070      -6.373      45.697   4.58 0.000 1.000 0.182 2.962     472.408     380.000       7.701   14 
+    120000       24000.00      38.819      15.073      53.892   7.47 0.143 0.500 0.148 3.058     352.183     380.000      11.586   14 
+    130000       26000.00      51.566     -11.407      40.159   7.80 0.143 0.333 0.167 2.592     467.833     380.000      12.031   14 
+    140000       28000.00      41.080     -10.882      30.199   8.57 0.071 0.000 0.136 1.973     372.702     380.000      11.205   14 
+    150000       30000.00      50.795      12.571      63.365   9.32 0.071 0.000 0.136 3.016     460.836     380.000      12.539   14 
+    160000       32000.00      44.296      -2.002      42.294   6.64 0.000 1.000 0.136 2.999     401.879     380.000      11.411   14 
+    170000       34000.00      40.609       3.497      44.107   7.38 0.071 0.500 0.227 1.799     368.429     380.000      10.945   14 
+    180000       36000.00      43.977      -7.041      36.936   8.78 0.000 1.000 0.242 1.436     398.981     380.000      11.552   14 
+    190000       38000.00      50.593      -5.886      44.707   7.94 0.000 1.000 0.227 3.456     459.006     380.000      11.999   14 
+    200000       40000.00      52.834     -11.287      41.547   8.84 0.000   NaN   NaN 2.019     479.335     380.000      12.770   14 
+    210000       42000.00      46.315      -4.594      41.721   9.38 0.143 0.000 0.136 2.814     420.196     370.000      12.939   14 
+    220000       44000.00      52.218      -5.220      46.998   8.62 0.143 0.500 0.193 0.669     473.747     370.000      11.216   14 
+    230000       46000.00      47.680      -4.412      43.268   6.79 0.143 0.333 0.348 2.742     432.575     370.000       8.068   14 
+    240000       48000.00      48.910     -15.393      33.517   7.13 0.143 0.333 0.152 2.161     443.734     370.000      10.283   14 
+    250000       50000.00      47.826      -5.686      42.141   7.87 0.000 1.000 0.227 1.796     433.906     370.000       9.241   14 
+    260000       52000.00      40.029      11.237      51.266   7.68 0.000 1.000 0.250 2.539     363.168     370.000      10.092   14 
+    270000       54000.00      47.781       1.286      49.066   5.37 0.000 1.000 0.409 1.449     433.492     370.000       7.921   14 
+    280000       56000.00      49.902       5.088      54.989   5.42 0.143 0.667 0.356 1.889     452.734     370.000       7.536   14 
+    290000       58000.00      41.319     -27.097      14.222   5.69 0.214 0.625 0.312 1.249     374.868     370.000       6.959   14 
+    300000       60000.00      38.613     -16.851      21.763   5.60 0.071 0.750 0.273 2.472     350.321     370.000       7.414   14 
+    310000       62000.00      44.549     -21.463      23.085   5.76 0.000 1.000 0.420 1.508     404.169     360.000       7.646   14 
+    320000       64000.00      37.632      -2.010      35.622   6.28 0.071 0.000 0.182 1.389     341.418     360.000      10.157   14 
+    330000       66000.00      51.925     -11.275      40.649   5.52 0.000 1.000 0.636 2.416     471.088     360.000       8.579   14 
+    340000       68000.00      44.439       0.088      44.528   4.70 0.071 0.000 0.545 2.541     403.178     360.000       9.530   14 
+    350000       70000.00      43.176       5.073      48.249   5.55 0.071 0.000 0.136 2.755     391.713     360.000       8.284   14 
+    360000       72000.00      55.424      -5.208      50.215   5.22 0.143 0.333 0.470 1.956     502.831     360.000       7.850   14 
+    370000       74000.00      31.851      -3.492      28.359   5.18 0.071 0.833 0.470 2.118     288.966     360.000       9.249   14 
+    380000       76000.00      36.553      -2.543      34.010   5.38 0.071 0.857 0.357 1.685     331.631     360.000       8.011   14 
+    390000       78000.00      38.529      -1.878      36.651   5.35 0.071 0.889 0.525 2.614     349.559     360.000       8.692   14 
+    400000       80000.00      49.103       7.715      56.819   4.78 0.000 1.000 0.318 1.919     445.491     360.000       7.988   14 
+    410000       82000.00      45.019     -13.723      31.295   4.21 0.000 1.000 0.364 1.903     408.432     350.000       7.523   14 
+    420000       84000.00      48.287       5.210      53.497   5.44 0.143 0.714 0.500 1.698     438.084     350.000       8.520   14 
+    430000       86000.00      38.971       4.427      43.398   5.30 0.000 1.000 0.136 1.679     353.565     350.000      10.444   14 
+    440000       88000.00      28.600      -7.743      20.857   4.94 0.071 0.800 0.373 1.702     259.473     350.000       8.236   14 
+    450000       90000.00      38.662     -18.597      20.065   7.02 0.071 0.000 0.136 2.172     350.758     350.000      11.939   14 
+    460000       92000.00      44.654      -3.316      41.338   5.57 0.071 0.500 0.523 1.757     405.123     350.000      10.243   14 
+    470000       94000.00      43.746     -15.275      28.470   5.86 0.000 1.000 0.545 2.162     396.883     350.000      10.581   14 
+    480000       96000.00      50.216      10.071      60.287   6.53 0.000 1.000 0.136 2.418     455.581     350.000      11.085   14 
+    490000       98000.00      43.495      -9.342      34.154  10.14 0.071 0.000 0.182 2.026     394.614     350.000      13.846   14 
+    500000      100000.00      38.739      -8.416      30.323   8.78 0.143 0.500 0.330 1.536     351.459     350.000      11.116   14 
+    510000      102000.00      44.061      -6.753      37.309   6.84 0.071 0.750 0.295 1.985     399.749     340.000       9.614   14 
+    520000      104000.00      42.348     -11.465      30.883   6.46 0.214 0.250 0.148 1.859     384.204     340.000       9.249   14 
+    530000      106000.00      33.518     -24.099       9.419   7.37 0.071 0.800 0.227 1.221     304.093     340.000      10.621   14 
+    540000      108000.00      41.727     -20.350      21.377   7.98 0.286 0.636 0.256 1.552     378.568     340.000       9.866   14 
+    550000      110000.00      33.116      -8.374      24.741   8.96 0.286 0.429 0.227 1.536     300.444     340.000      10.881   14 
+    560000      112000.00      30.733     -13.570      17.163   7.31 0.143 0.833 0.337 1.522     278.824     340.000       8.678   14 
+    570000      114000.00      37.978     -16.472      21.505   6.42 0.071 0.750 0.409 1.794     344.555     340.000       7.970   14 
+    580000      116000.00      37.230     -10.608      26.623   6.64 0.071 0.857 0.390 1.644     337.773     340.000       7.663   14 
+    590000      118000.00      53.373      -3.666      49.707   5.85 0.214 0.625 0.295 1.599     484.226     340.000       7.568   14 
+    600000      120000.00      34.331     -14.720      19.611   5.21 0.071 0.875 0.364 1.672     311.467     340.000       7.200   14 
+    610000      122000.00      44.443     -15.196      29.247   5.89 0.143 0.714 0.357 1.855     403.209     330.000       7.329   14 
+    620000      124000.00      34.714     -21.469      13.245   6.27 0.143 0.778 0.384 2.216     314.944     330.000       7.342   14 
+    630000      126000.00      38.653     -31.374       7.279   5.02 0.143 0.800 0.364 2.206     350.681     330.000       7.118   14 
+    640000      128000.00      47.855      -5.250      42.605   6.27 0.143 0.333 0.182 1.250     434.164     330.000       9.665   14 
+    650000      130000.00      44.959      -3.359      41.600   5.18 0.071 0.667 0.636 1.702     407.892     330.000       9.357   14 
+    660000      132000.00      34.945      -2.535      32.410   5.88 0.071 0.800 0.464 3.640     317.038     330.000      10.094   14 
+    670000      134000.00      45.284     -11.039      34.245   4.67 0.000 1.000 0.379 2.582     410.842     330.000       9.734   14 
+    680000      136000.00      36.719     -23.141      13.578   4.34 0.143 0.778 0.500 2.668     333.136     330.000       7.705   14 
+    690000      138000.00      44.012     -18.596      25.416   6.06 0.071 0.750 0.318 3.027     399.304     330.000       8.828   14 
+    700000      140000.00      39.183     -13.023      26.160   5.50 0.143 0.800 0.532 2.068     355.486     330.000       9.046   14 
+    710000      142000.00      41.003      -2.334      38.669   4.86 0.143 0.600 0.591 2.403     372.002     320.000       8.769   14 
+    720000      144000.00      41.546     -21.292      20.254   5.90 0.071 0.875 0.369 1.822     376.928     320.000       7.591   14 
+    730000      146000.00      35.260      -3.279      31.981   5.60 0.071 0.750 0.364 1.310     319.897     320.000       8.919   14 
+    740000      148000.00      32.720      -8.515      24.205   5.68 0.143 0.600 0.218 1.836     296.854     320.000       8.080   14 
+    750000      150000.00      41.738     -17.524      24.214   5.39 0.214 0.750 0.254 1.628     378.673     320.000       7.148   14 
+    760000      152000.00      31.229     -26.688       4.541   6.06 0.214 0.400 0.264 2.132     283.322     320.000       7.405   14 
+    770000      154000.00      37.293     -32.162       5.131   6.51 0.214 0.667 0.242 2.538     338.337     320.000       7.131   14 
+    780000      156000.00      29.006     -22.264       6.742   7.33 0.214 0.625 0.250 2.507     263.156     320.000       7.697   14 
+    790000      158000.00      43.285     -26.623      16.662   7.43 0.286 0.636 0.244 4.145     392.699     320.000       7.921   14 
+    800000      160000.00      44.812     -17.800      27.013   7.30 0.143 0.600 0.191 2.017     406.560     320.000       8.362   14 
+    810000      162000.00      40.285     -14.154      26.131   6.72 0.071 0.667 0.182 1.408     365.482     330.000       9.037   14 
+    820000      164000.00      36.748     -22.045      14.703   5.19 0.143 0.714 0.208 0.854     333.398     330.000       8.128   14 
+    830000      166000.00      32.837     -21.707      11.129   6.96 0.214 0.625 0.199 1.373     297.913     330.000       7.444   14 
+    840000      168000.00      37.157     -23.790      13.366   5.62 0.000 1.000 0.182 1.744     337.103     330.000       8.227   14 
+    850000      170000.00      32.976     -23.682       9.293   4.86 0.357 0.615 0.269 1.313     299.174     330.000       7.164   14 
+    860000      172000.00      39.459     -17.191      22.267   6.77 0.214 0.667 0.460 3.529     357.989     330.000       7.349   14 
+    870000      174000.00      44.252     -21.456      22.796   5.80 0.143 0.000 0.364 1.839     401.481     330.000       7.424   14 
+    880000      176000.00      37.077     -24.813      12.264   5.92 0.286 0.556 0.424 1.940     336.382     330.000       7.149   14 
+    890000      178000.00      36.149     -22.808      13.341   5.23 0.143 0.500 0.341 1.255     327.964     330.000       7.614   14 
+    900000      180000.00      46.468     -30.410      16.058   4.38 0.286 0.636 0.351 2.070     421.586     330.000       6.756   14 
+    910000      182000.00      41.496     -30.980      10.515   5.60 0.286 0.556 0.192 1.283     376.470     320.000       7.271   14 
+    920000      184000.00      42.634     -31.782      10.853   5.35 0.286 0.636 0.388 1.210     386.800     320.000       6.803   14 
+    930000      186000.00      43.070     -38.371       4.699   4.93 0.286 0.636 0.372 0.929     390.755     320.000       6.991   14 
+    940000      188000.00      40.626     -33.298       7.328   5.00 0.429 0.500 0.307 1.163     368.579     320.000       7.299   14 
+    950000      190000.00      35.590     -30.933       4.657   4.54 0.357 0.444 0.298 0.834     322.893     320.000       7.198   14 
+    960000      192000.00      35.561     -27.603       7.957   5.19 0.286 0.600 0.259 1.897     322.624     320.000       7.518   14 
+    970000      194000.00      39.740     -29.205      10.535   5.48 0.286 0.600 0.259 2.052     360.542     320.000       7.285   14 
+    980000      196000.00      48.329     -21.624      26.705   5.53 0.143 0.833 0.333 2.238     438.465     320.000       7.336   14 
+    990000      198000.00      39.468     -22.119      17.349   5.61 0.357 0.375 0.261 2.908     358.076     320.000       7.477   14 
+   1000000      200000.00      38.778      -9.671      29.107   6.19 0.286 0.667 0.235 1.828     351.817     320.000       7.421   14 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB015.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB015.stat
index 306dfef..5fa6bb8 100644
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB015.stat
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB015.stat
@@ -1,101 +1,101 @@
-         0           0.00      43.069      20.946      64.015  12.87 0.000   NaN   NaN 0.931     390.743     400.000      15.552   15 
-     10000        2000.00      44.470      -4.104      40.367  10.95 0.000   NaN   NaN 1.266     403.459     400.000      14.735   15 
-     20000        4000.00      44.785      11.536      56.321  10.41 0.000   NaN   NaN 2.314     406.316     400.000      13.114   15 
-     30000        6000.00      48.653       4.654      53.307  10.19 0.000 1.000 0.182 2.261     441.405     400.000      12.819   15 
-     40000        8000.00      50.711       3.140      53.851   9.81 0.071 0.500 0.159 2.836     460.075     400.000      13.497   15 
-     50000       10000.00      47.996      -1.468      46.528  11.86 0.000   NaN   NaN 3.443     435.441     400.000      15.668   15 
-     60000       12000.00      40.662       4.580      45.242  10.68 0.000   NaN   NaN 1.511     368.909     400.000      14.370   15 
-     70000       14000.00      50.013      -5.418      44.595   9.00 0.143 0.000 0.159 1.894     453.746     400.000      12.725   15 
-     80000       16000.00      52.280      11.786      64.065   7.32 0.071 0.667 0.212 4.114     474.309     400.000       9.345   15 
-     90000       18000.00      56.012     -17.194      38.817   7.40 0.286 0.500 0.222 4.083     508.167     400.000       7.843   15 
-    100000       20000.00      41.477     -22.575      18.902   7.17 0.000 1.000 0.301 2.483     376.298     400.000      10.018   15 
-    110000       22000.00      39.665      -9.907      29.758   5.87 0.071 0.833 0.364 1.223     359.857     390.000       8.710   15 
-    120000       24000.00      40.009      -0.800      39.209   6.57 0.143 0.600 0.409 2.189     362.985     390.000       7.951   15 
-    130000       26000.00      35.217     -22.648      12.569   5.97 0.071 0.833 0.523 2.444     319.505     390.000       7.305   15 
-    140000       28000.00      43.834     -13.305      30.529   5.92 0.071 0.750 0.466 1.670     397.689     390.000       8.911   15 
-    150000       30000.00      41.664     -16.443      25.221   5.81 0.143 0.750 0.455 2.164     377.994     390.000       8.757   15 
-    160000       32000.00      57.440      -7.226      50.214   5.25 0.071 0.000 0.773 3.673     521.128     390.000       9.236   15 
-    170000       34000.00      46.841     -11.393      35.448   5.90 0.071 0.800 0.573 1.206     424.965     390.000       9.176   15 
-    180000       36000.00      44.801     -15.968      28.833   4.55 0.071 0.750 0.523 2.695     406.455     390.000       8.968   15 
-    190000       38000.00      42.845      -6.999      35.846   4.75 0.071 0.667 0.182 1.370     388.712     390.000       8.480   15 
-    200000       40000.00      57.881     -13.742      44.138   4.92 0.143 0.667 0.402 2.918     525.123     390.000       7.444   15 
-    210000       42000.00      42.123     -10.343      31.780   4.18 0.000 1.000 0.518 1.580     382.165     380.000       8.415   15 
-    220000       44000.00      33.908     -12.406      21.502   4.69 0.000 1.000 0.386 1.810     307.628     380.000       8.430   15 
-    230000       46000.00      44.660     -11.570      33.090   5.07 0.143 0.778 0.419 0.794     405.179     380.000       8.235   15 
-    240000       48000.00      44.196     -12.561      31.635   5.52 0.214 0.625 0.312 1.876     400.971     380.000       8.730   15 
-    250000       50000.00      39.872      -2.324      37.548   5.28 0.071 0.500 0.136 2.173     361.740     380.000      10.226   15 
-    260000       52000.00      50.715     -11.960      38.754   4.38 0.286 0.200 0.182 1.820     460.110     380.000       8.464   15 
-    270000       54000.00      52.051     -14.410      37.640   5.14 0.071 0.667 0.409 2.654     472.230     380.000       8.578   15 
-    280000       56000.00      41.764       5.643      47.407   5.89 0.071 0.857 0.422 2.552     378.905     380.000       8.551   15 
-    290000       58000.00      58.649     -11.196      47.453   5.82 0.143 0.600 0.318 1.184     532.094     380.000       8.099   15 
-    300000       60000.00      44.152       3.645      47.797   5.13 0.071 0.800 0.255 2.651     400.571     380.000       7.978   15 
-    310000       62000.00      39.176     -18.577      20.598   5.43 0.214 0.625 0.347 1.694     355.423     400.000       7.750   15 
-    320000       64000.00      41.273       2.584      43.857   4.62 0.214 0.571 0.312 3.243     374.447     400.000       7.870   15 
-    330000       66000.00      47.774      -1.382      46.392   5.61 0.071 0.750 0.284 1.468     433.434     400.000       7.936   15 
-    340000       68000.00      49.095       0.255      49.349   6.10 0.000 1.000 0.295 3.559     445.412     400.000      10.492   15 
-    350000       70000.00      42.273       2.719      44.992   8.42 0.000   NaN   NaN 1.262     383.521     400.000      13.291   15 
-    360000       72000.00      43.749      11.620      55.369   7.31 0.071 0.500 0.205 3.577     396.912     400.000      12.079   15 
-    370000       74000.00      53.580     -12.223      41.357   9.53 0.000   NaN   NaN 1.385     486.109     400.000      14.239   15 
-    380000       76000.00      43.425      -9.097      34.328  10.28 0.071 0.667 0.182 2.103     393.972     400.000      12.581   15 
-    390000       78000.00      52.656      -0.185      52.471  10.38 0.000   NaN   NaN 1.993     477.722     400.000      13.323   15 
-    400000       80000.00      44.832       4.673      49.505  11.15 0.143 0.000 0.159 1.726     406.741     400.000      13.801   15 
-    410000       82000.00      51.801      -8.048      43.753   7.42 0.071 0.000 0.182 1.726     469.963     390.000      11.979   15 
-    420000       84000.00      26.823       7.781      34.603   9.49 0.143 0.333 0.167 1.666     243.350     390.000      12.332   15 
-    430000       86000.00      48.742       1.155      49.897   9.75 0.071 0.500 0.159 1.414     442.215     390.000      12.456   15 
-    440000       88000.00      48.343      -6.089      42.253   8.09 0.071 0.000 0.182 1.053     438.590     390.000      12.135   15 
-    450000       90000.00      42.758      -6.139      36.619   7.14 0.143 0.500 0.182 1.964     387.925     390.000       8.794   15 
-    460000       92000.00      43.105      -4.960      38.146   7.96 0.000 1.000 0.338 2.065     391.075     390.000       8.182   15 
-    470000       94000.00      38.416      -1.734      36.682   7.37 0.071 0.500 0.227 3.007     348.528     390.000       9.015   15 
-    480000       96000.00      44.417       5.384      49.801   7.62 0.143 0.600 0.182 2.086     402.976     390.000      10.110   15 
-    490000       98000.00      49.915      -2.888      47.027   7.40 0.143 0.333 0.182 2.503     452.851     390.000      10.048   15 
-    500000      100000.00      52.275       5.043      57.318   6.13 0.000 1.000 0.273 3.353     474.265     390.000      10.148   15 
-    510000      102000.00      64.760      -3.813      60.947   6.17 0.071 0.000 0.136 1.585     587.534     380.000      10.582   15 
-    520000      104000.00      38.010      -4.329      33.681   6.13 0.000 1.000 0.205 3.497     344.850     380.000      10.564   15 
-    530000      106000.00      42.148      -8.909      33.239   7.54 0.071 0.857 0.266 2.596     382.387     380.000       8.125   15 
-    540000      108000.00      49.745      -9.208      40.538   5.76 0.214 0.000 0.197 1.782     451.317     380.000       8.936   15 
-    550000      110000.00      31.435     -18.223      13.211   4.80 0.143 0.500 0.295 1.630     285.192     380.000       8.304   15 
-    560000      112000.00      43.527      -9.009      34.518   6.00 0.000 1.000 0.500 0.991     394.900     380.000       8.483   15 
-    570000      114000.00      55.532      -4.542      50.990   5.42 0.143 0.667 0.311 4.942     503.811     380.000       7.727   15 
-    580000      116000.00      44.896      -0.454      44.443   6.64 0.071 0.833 0.356 1.747     407.324     380.000       8.227   15 
-    590000      118000.00      47.923     -13.723      34.200   5.91 0.143 0.333 0.242 4.919     434.784     380.000       9.497   15 
-    600000      120000.00      59.811      12.804      72.615   5.13 0.143 0.333 0.333 2.623     542.633     380.000       9.254   15 
-    610000      122000.00      43.005     -16.956      26.049   5.07 0.071 0.800 0.518 0.980     390.166     370.000       9.097   15 
-    620000      124000.00      33.284      -8.732      24.552   7.82 0.143 0.500 0.170 2.031     301.967     370.000      10.525   15 
-    630000      126000.00      44.264     -15.759      28.504   7.15 0.143 0.333 0.182 1.921     401.583     370.000       8.573   15 
-    640000      128000.00      49.991       0.466      50.457   9.15 0.071 0.000 0.182 0.757     453.546     370.000      11.260   15 
-    650000      130000.00      40.724      -3.548      37.176   6.57 0.071 0.500 0.182 2.337     369.471     370.000      10.681   15 
-    660000      132000.00      42.809     -10.143      32.666   6.89 0.071 0.667 0.242 1.767     388.385     370.000       9.892   15 
-    670000      134000.00      45.729      -3.980      41.749   6.37 0.071 0.667 0.197 3.564     414.876     370.000       8.588   15 
-    680000      136000.00      34.262     -23.417      10.845   5.11 0.071 0.833 0.265 1.210     310.839     370.000       7.630   15 
-    690000      138000.00      52.187     -18.818      33.370   5.47 0.071 0.800 0.255 2.240     473.469     370.000       7.754   15 
-    700000      140000.00      44.255      -8.478      35.777   6.17 0.071 0.667 0.167 1.134     401.508     370.000       7.471   15 
-    710000      142000.00      51.588     -17.527      34.061   6.06 0.071 0.875 0.420 5.085     468.029     360.000       6.937   15 
-    720000      144000.00      34.616     -21.687      12.930   5.47 0.214 0.667 0.258 1.337     314.058     360.000       7.396   15 
-    730000      146000.00      40.472     -11.091      29.381   7.08 0.071 0.750 0.273 2.408     367.185     360.000       8.627   15 
-    740000      148000.00      48.320     -25.318      23.002   5.66 0.214 0.667 0.359 1.765     438.380     360.000       7.178   15 
-    750000      150000.00      41.882     -18.081      23.801   5.66 0.071 0.667 0.182 1.800     379.976     360.000       7.923   15 
-    760000      152000.00      47.885     -18.750      29.135   5.20 0.143 0.714 0.481 1.566     434.433     360.000       7.187   15 
-    770000      154000.00      40.537     -21.267      19.271   5.53 0.214 0.625 0.347 2.056     367.775     360.000       6.993   15 
-    780000      156000.00      49.952     -28.728      21.224   5.92 0.000 1.000 0.331 1.071     453.190     360.000       7.478   15 
-    790000      158000.00      32.950     -31.741       1.209   5.15 0.143 0.818 0.302 1.140     298.943     360.000       6.865   15 
-    800000      160000.00      37.782     -34.132       3.650   5.87 0.143 0.846 0.360 2.280     342.778     360.000       6.903   15 
-    810000      162000.00      38.354     -16.193      22.161   6.60 0.143 0.714 0.227 4.074     347.964     350.000       7.476   15 
-    820000      164000.00      39.059     -34.585       4.475   5.97 0.143 0.778 0.394 1.419     354.368     350.000       7.442   15 
-    830000      166000.00      38.588     -30.022       8.566   6.27 0.143 0.833 0.398 2.455     350.089     350.000       6.953   15 
-    840000      168000.00      44.084     -23.302      20.782   6.59 0.143 0.800 0.391 2.586     399.957     350.000       7.413   15 
-    850000      170000.00      34.591     -30.329       4.262   5.55 0.143 0.818 0.401 2.536     313.828     350.000       7.175   15 
-    860000      172000.00      36.649      -7.669      28.980   6.26 0.000 1.000 0.255 3.291     332.499     350.000       9.821   15 
-    870000      174000.00      40.882       4.414      45.296   7.57 0.071 0.500 0.182 1.685     370.905     350.000      11.516   15 
-    880000      176000.00      37.940     -21.261      16.679   8.25 0.000 1.000 0.205 2.386     344.207     350.000      11.363   15 
-    890000      178000.00      31.413      -3.428      27.985  10.87 0.071 0.000 0.136 1.089     284.992     350.000      14.298   15 
-    900000      180000.00      42.101      -4.572      37.529  10.97 0.000 1.000 0.227 3.171     381.960     350.000      13.779   15 
-    910000      182000.00      72.864      -0.011      72.853   7.48 0.071 0.500 0.182 1.370     661.060     400.000      11.720   15 
-    920000      184000.00      41.787      -3.481      38.306   8.33 0.071 0.500 0.205 2.900     379.117     400.000      11.359   15 
-    930000      186000.00      41.577      -3.533      38.045   8.57 0.071 0.667 0.136 1.239     377.210     400.000      10.786   15 
-    940000      188000.00      54.673      -2.995      51.679   6.63 0.071 0.000 0.136 1.176     496.024     400.000       9.393   15 
-    950000      190000.00      47.285     -11.849      35.436   6.04 0.000 1.000 0.682 2.053     428.990     400.000       9.109   15 
-    960000      192000.00      44.042       4.248      48.289   4.99 0.071 0.800 0.264 2.045     399.568     400.000       9.221   15 
-    970000      194000.00      49.316     -24.136      25.180   7.86 0.214 0.400 0.200 2.218     447.420     400.000      11.281   15 
-    980000      196000.00      48.120     -10.807      37.313   8.49 0.143 0.000 0.159 1.698     436.573     400.000      12.057   15 
-    990000      198000.00      41.574      -1.420      40.154   8.77 0.000   NaN   NaN 2.673     377.181     400.000      13.413   15 
-   1000000      200000.00      49.566      -7.419      42.147  10.04 0.143 0.333 0.152 2.708     449.685     400.000      13.343   15 
+         0           0.00      41.798      24.561      66.359  12.87 0.000   NaN   NaN 0.715     379.213     400.000      15.552   15 
+     10000        2000.00      31.414      11.098      42.512   9.89 0.143 0.333 0.182 3.330     285.008     400.000      13.159   15 
+     20000        4000.00      54.437      14.327      68.764   9.22 0.214 0.000 0.152 1.730     493.883     400.000      12.292   15 
+     30000        6000.00      50.698       9.269      59.967   6.34 0.000 1.000 0.182 2.295     459.960     400.000      10.393   15 
+     40000        8000.00      44.813       3.288      48.101   7.28 0.000 1.000 0.250 1.382     406.567     400.000      10.452   15 
+     50000       10000.00      50.792      14.007      64.799   6.59 0.143 0.333 0.182 3.268     460.813     400.000      11.261   15 
+     60000       12000.00      42.942      10.069      53.011   8.94 0.000   NaN   NaN 2.028     389.592     400.000      12.321   15 
+     70000       14000.00      45.952      -0.526      45.425   7.87 0.071 0.500 0.159 0.725     416.896     400.000      12.196   15 
+     80000       16000.00      46.821      -6.048      40.774   6.79 0.000   NaN   NaN 2.625     424.787     400.000      11.991   15 
+     90000       18000.00      49.815      13.167      62.983  10.12 0.071 0.000 0.136 2.195     451.951     400.000      13.498   15 
+    100000       20000.00      47.499       1.008      48.508   8.91 0.000 1.000 0.227 2.853     430.939     400.000      12.970   15 
+    110000       22000.00      37.772       4.027      41.799  11.05 0.071 0.000 0.136 3.667     342.689     390.000      14.049   15 
+    120000       24000.00      41.697       8.753      50.450   9.72 0.143 0.000 0.159 1.266     378.294     390.000      12.761   15 
+    130000       26000.00      48.497       2.620      51.116   8.07 0.143 0.333 0.167 3.926     439.986     390.000      11.413   15 
+    140000       28000.00      49.300      -7.509      41.790   7.37 0.071 0.750 0.170 1.318     447.272     390.000       9.043   15 
+    150000       30000.00      42.534      -0.149      42.385   7.82 0.071 0.800 0.236 2.340     385.886     390.000       8.609   15 
+    160000       32000.00      48.285       0.093      48.378   7.67 0.000 1.000 0.227 1.910     438.069     390.000      11.812   15 
+    170000       34000.00      40.550      11.250      51.800   8.72 0.000   NaN   NaN 2.164     367.891     390.000      12.817   15 
+    180000       36000.00      44.443       8.717      53.160   9.88 0.071 0.500 0.205 2.066     403.206     390.000      12.443   15 
+    190000       38000.00      39.230     -11.595      27.635   8.57 0.000   NaN   NaN 2.153     355.916     390.000      11.648   15 
+    200000       40000.00      48.701      -2.082      46.619   7.81 0.143 0.714 0.195 1.725     441.838     390.000       8.973   15 
+    210000       42000.00      40.828      -8.613      32.215   7.88 0.000 1.000 0.409 2.196     370.411     380.000       8.778   15 
+    220000       44000.00      37.738      -6.456      31.282   6.31 0.000 1.000 0.258 2.783     342.377     380.000       8.372   15 
+    230000       46000.00      43.949      23.449      67.398   7.59 0.000   NaN   NaN 3.809     398.732     380.000      12.055   15 
+    240000       48000.00      38.269       7.213      45.483   6.67 0.000 1.000 0.227 1.767     347.198     380.000      11.391   15 
+    250000       50000.00      61.570      15.223      76.793   6.56 0.000 1.000 0.318 1.213     558.592     380.000      10.729   15 
+    260000       52000.00      43.934       9.055      52.989   8.08 0.000   NaN   NaN 1.579     398.595     380.000      11.031   15 
+    270000       54000.00      53.206      10.985      64.191  11.50 0.000 1.000 0.182 1.310     482.709     380.000      14.337   15 
+    280000       56000.00      38.059       4.006      42.066   7.58 0.071 0.500 0.136 3.178     345.294     380.000      10.136   15 
+    290000       58000.00      49.229       8.264      57.494   6.94 0.071 0.000 0.136 2.042     446.634     380.000      11.883   15 
+    300000       60000.00      37.864      -5.222      32.642  12.49 0.000 1.000 0.182 3.359     343.525     380.000      15.311   15 
+    310000       62000.00      45.921       8.947      54.868  10.65 0.000   NaN   NaN 1.822     416.618     400.000      13.597   15 
+    320000       64000.00      55.259       7.171      62.430   7.02 0.000 1.000 0.273 1.312     501.337     400.000      10.746   15 
+    330000       66000.00      40.865       6.481      47.346   7.82 0.071 0.750 0.182 2.577     370.749     400.000       8.523   15 
+    340000       68000.00      48.529      11.763      60.292   6.53 0.000 1.000 0.136 2.949     440.280     400.000      10.522   15 
+    350000       70000.00      47.365       7.346      54.711   5.59 0.000 1.000 0.205 1.693     429.717     400.000      10.140   15 
+    360000       72000.00      46.760       2.803      49.563   5.38 0.071 0.500 0.295 3.251     424.230     400.000       9.357   15 
+    370000       74000.00      47.548       0.648      48.196   4.29 0.071 0.500 0.500 2.667     431.383     400.000       8.797   15 
+    380000       76000.00      47.811      -1.043      46.768   6.24 0.000   NaN   NaN 2.683     433.762     400.000       9.094   15 
+    390000       78000.00      62.191       4.491      66.681   5.94 0.000 1.000 0.295 1.332     564.225     400.000       7.995   15 
+    400000       80000.00      40.449       3.430      43.878   4.97 0.071 0.500 0.182 1.487     366.970     400.000       8.685   15 
+    410000       82000.00      42.267       4.137      46.404   6.06 0.000   NaN   NaN 2.019     383.470     400.000      10.096   15 
+    420000       84000.00      40.677      -8.669      32.007   5.83 0.071 0.800 0.455 2.063     369.042     400.000       8.419   15 
+    430000       86000.00      48.348     -12.090      36.258   5.23 0.286 0.200 0.482 1.932     438.634     400.000       8.050   15 
+    440000       88000.00      45.186      -5.474      39.712   5.35 0.143 0.333 0.152 2.814     409.951     400.000       9.526   15 
+    450000       90000.00      51.137      -3.621      47.516   7.23 0.071 0.000 0.136 1.797     463.944     400.000      11.190   15 
+    460000       92000.00      53.649       8.182      61.831   6.70 0.000 1.000 0.364 2.584     486.731     400.000       9.751   15 
+    470000       94000.00      47.752      18.800      66.552   8.57 0.000   NaN   NaN 1.667     433.233     400.000      12.636   15 
+    480000       96000.00      56.345      -4.251      52.094   8.34 0.143 0.333 0.182 2.778     511.189     400.000      12.567   15 
+    490000       98000.00      51.803       9.289      61.092   9.27 0.000 1.000 0.136 2.654     469.983     400.000      13.043   15 
+    500000      100000.00      47.575       7.319      54.894   7.30 0.071 0.000 0.136 2.417     431.622     400.000      11.625   15 
+    510000      102000.00      68.323      -4.025      64.298   7.37 0.000 1.000 0.227 2.017     619.859     390.000      11.432   15 
+    520000      104000.00      45.227      -0.785      44.442   4.24 0.071 0.667 0.167 2.742     410.327     390.000       8.785   15 
+    530000      106000.00      46.102       2.598      48.700   4.79 0.071 0.750 0.455 2.299     418.264     390.000       8.813   15 
+    540000      108000.00      40.903       5.646      46.548   4.41 0.071 0.500 0.477 1.838     371.089     390.000       9.010   15 
+    550000      110000.00      47.386       2.234      49.620   6.55 0.071 0.800 0.273 1.677     429.910     390.000       9.504   15 
+    560000      112000.00      63.054      16.357      79.411  10.09 0.000   NaN   NaN 2.447     572.056     390.000      13.690   15 
+    570000      114000.00      47.412       2.982      50.395   8.46 0.143 0.000 0.159 3.764     430.149     390.000      11.124   15 
+    580000      116000.00      47.603       3.784      51.386   7.61 0.071 0.667 0.197 1.317     431.877     390.000      11.205   15 
+    590000      118000.00      49.000       3.617      52.616   6.62 0.071 0.500 0.182 1.901     444.551     390.000      10.139   15 
+    600000      120000.00      48.776     -10.228      38.548   7.79 0.000   NaN   NaN 2.811     442.524     390.000      12.725   15 
+    610000      122000.00      47.281       3.393      50.673   7.17 0.000   NaN   NaN 3.423     428.953     380.000      11.442   15 
+    620000      124000.00      36.450       6.091      42.540   7.73 0.071 0.667 0.167 2.204     330.689     380.000      11.504   15 
+    630000      126000.00      44.360      -3.470      40.890   4.94 0.000 1.000 0.382 5.107     402.461     380.000       9.097   15 
+    640000      128000.00      48.065       8.919      56.984   5.40 0.071 0.833 0.424 2.590     436.070     380.000       8.275   15 
+    650000      130000.00      55.606       6.667      62.273   5.06 0.071 0.857 0.383 3.522     504.487     380.000       8.158   15 
+    660000      132000.00      49.121       9.987      59.108   5.86 0.000 1.000 0.303 3.031     445.647     380.000       8.540   15 
+    670000      134000.00      51.599       4.806      56.405   4.97 0.000 1.000 0.455 2.252     468.134     380.000       9.487   15 
+    680000      136000.00      41.312       8.945      50.256   5.30 0.000 1.000 0.818 2.291     374.800     380.000       9.685   15 
+    690000      138000.00      42.057     -14.374      27.683   5.50 0.000 1.000 0.561 1.592     381.562     380.000       9.073   15 
+    700000      140000.00      35.780       1.837      37.617   6.15 0.000 1.000 0.682 1.670     324.619     380.000       9.043   15 
+    710000      142000.00      41.373       4.656      46.028   4.88 0.071 0.750 0.523 2.663     375.356     370.000       7.766   15 
+    720000      144000.00      46.495      -1.173      45.322   5.69 0.000 1.000 0.455 1.221     421.829     370.000       9.345   15 
+    730000      146000.00      56.506      16.969      73.475   6.52 0.071 0.750 0.432 2.025     512.654     370.000       8.481   15 
+    740000      148000.00      40.126     -11.368      28.758   5.74 0.071 0.900 0.509 1.764     364.045     370.000       7.420   15 
+    750000      150000.00      37.860       8.914      46.774   5.72 0.071 0.500 0.477 3.559     343.481     370.000       9.974   15 
+    760000      152000.00      41.874      -9.633      32.241   5.75 0.071 0.750 0.420 1.710     379.899     370.000       9.546   15 
+    770000      154000.00      37.868       9.524      47.392   4.45 0.000 1.000 0.418 1.194     343.557     370.000       8.966   15 
+    780000      156000.00      43.863       0.758      44.621   5.12 0.071 0.800 0.364 1.635     397.951     370.000       8.587   15 
+    790000      158000.00      42.210       1.631      43.841   5.63 0.071 0.667 0.182 3.569     382.951     370.000       8.275   15 
+    800000      160000.00      38.333     -17.126      21.207   3.07 0.071 0.857 0.474 1.090     347.774     370.000       7.300   15 
+    810000      162000.00      45.273     -19.525      25.748   3.87 0.214 0.500 0.409 2.101     410.742     360.000       8.652   15 
+    820000      164000.00      40.794     -15.962      24.832   4.50 0.214 0.571 0.377 1.742     370.108     360.000       8.188   15 
+    830000      166000.00      39.685     -25.124      14.561   6.34 0.071 0.750 0.352 1.884     360.042     360.000       6.976   15 
+    840000      168000.00      39.981      -5.287      34.694   5.86 0.071 0.750 0.284 1.743     362.730     360.000       7.580   15 
+    850000      170000.00      43.025     -16.625      26.400   4.48 0.214 0.667 0.237 1.955     390.342     360.000       8.056   15 
+    860000      172000.00      48.062       3.537      51.599   7.26 0.071 0.500 0.182 1.996     436.043     360.000       9.320   15 
+    870000      174000.00      38.464      -5.757      32.707   6.32 0.000 1.000 0.205 1.413     348.964     360.000       9.341   15 
+    880000      176000.00      48.820      -6.257      42.563   6.68 0.143 0.600 0.182 1.608     442.921     360.000      11.107   15 
+    890000      178000.00      44.655      -8.289      36.366   6.54 0.143 0.500 0.182 1.497     405.135     360.000       9.937   15 
+    900000      180000.00      46.993     -14.754      32.238  10.72 0.071 0.667 0.167 1.896     426.341     360.000      13.752   15 
+    910000      182000.00      49.348      -0.668      48.679  10.79 0.000   NaN   NaN 2.100     447.709     350.000      14.129   15 
+    920000      184000.00      40.639      -8.874      31.765   7.96 0.000 1.000 0.227 1.321     368.695     350.000      10.334   15 
+    930000      186000.00      37.454      -1.582      35.872   8.79 0.000   NaN   NaN 1.903     339.805     350.000      12.701   15 
+    940000      188000.00      34.689      -9.446      25.243  10.09 0.000   NaN   NaN 1.633     314.719     350.000      13.824   15 
+    950000      190000.00      39.889       6.210      46.099   7.91 0.071 0.000 0.136 1.638     361.894     350.000      12.580   15 
+    960000      192000.00      31.296      -2.255      29.041   5.83 0.000   NaN   NaN 1.171     283.931     350.000       9.794   15 
+    970000      194000.00      45.738     -15.142      30.596   3.44 0.214 0.400 0.509 1.561     414.958     350.000       8.637   15 
+    980000      196000.00      36.638      -8.146      28.493   6.15 0.071 0.750 0.216 5.064     332.402     350.000       8.732   15 
+    990000      198000.00      52.159      -1.709      50.450   7.15 0.000   NaN   NaN 1.807     473.212     350.000       8.521   15 
+   1000000      200000.00      41.564      -5.102      36.463   6.29 0.071 0.857 0.409 2.006     377.094     350.000       7.216   15 
diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_MD000.cx b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_MD000.cx
index e95d72ae0abce1703000a48746644772d2af8883..7d8f88b80df86c2b57b651ed06eefe519639b46f 100644
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diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_mremd.rst b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_mremd.rst
index 5060bbeeff6a5a424d7cf6915a184036a4b78513..619bfb2bcdc55df263df004ef54723756f8c7f49 100644
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diff --git a/examples/unres/new/REMD/Langevin/ff_gab/unres.csh b/examples/unres/new/REMD/Langevin/ff_gab/unres.csh
index 9416d51..bf4dafe 100755
--- a/examples/unres/new/REMD/Langevin/ff_gab/unres.csh
+++ b/examples/unres/new/REMD/Langevin/ff_gab/unres.csh
@@ -1,25 +1,24 @@
-#!/bin/csh
+#!/bin/csh -f
 setenv FGPROCS 1
 setenv POT GB
-setenv PREFIX  1L2Y_REMD
+setenv PREFIX 1L2Y_REMD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_oldparm.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv DD /users/czarek/UNRES/export_v3/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
-setenv THETPARPDB $DD/thetaml.5parm
-setenv ROTPARPDB $DD/scgauss.parm
 setenv ROTPAR $DD/scgauss.parm
 setenv TORPAR $DD/torsion_631Gdp.parm
 setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm
-setenv SIDEPAR $DD/scinter_${POT}.parm
+setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-setenv SCCORPAR $DD/rotcorr_AM1.parm
+#setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
-setenv PRINT_PARM NO
 #-----------------------------------------------------------------------------
 $UNRES_BIN $*
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/1L2Y_REMD.out_GB000
index 152bc32..88e686a 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/1L2Y_REMD.out_GB000
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/1L2Y_REMD.out_GB000
@@ -5,33 +5,33 @@
  Output file                     : 1L2Y_REMD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 298
- compiled Thu Jul  5 05:49:13 2012
+ Version 2.5 build 303
+ compiled Mon Jul 23 17:44:56 2012
  compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
@@ -304,7 +304,7 @@ Replica exchange molecular dynamics (REMD) calculation.
 
  Calling chainbuild
  Calling REMD
- MREMD          16 time before  1.562500000000000E-002
+ MREMD          16 time before  1.953125000000000E-002
  NREP=          16
  i2rep      1      2      3      4      5      6      7      8      9     10
      11     12     13     14     15     16
@@ -460,13 +460,13 @@ Initial:
 
     maximum acceleration    4.85077E+00
 
- Setup time  1.953125000000000E-002
+ Setup time  2.343750000000000E-002
  REMD synchro at      100000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   40.8437500000000       0.000000000000000E+000
+ REMD gather times=   40.7187500000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.00000    1
 ACC   2   260.00000     0.00000    1
@@ -484,11 +484,11 @@ ACC  13   370.00000     1.00000    1
 ACC  14   380.00000     1.00000    1
 ACC  15   390.00000     1.00000    1
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  3.906250000000000E-003
  REMD synchro at      200000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   81.8085937500000       0.000000000000000E+000
+ REMD gather times=   81.8632812500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
@@ -512,9 +512,9 @@ ACC  15   390.00000     1.00000    2
  REMD synchro at      300000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   123.050781250000       0.000000000000000E+000
+ REMD gather times=   123.097656250000       0.000000000000000E+000
  REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  7.812500000000000E-003
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.00000    3
 ACC   2   260.00000     0.66667    3
@@ -532,13 +532,13 @@ ACC  13   370.00000     1.00000    3
 ACC  14   380.00000     1.00000    3
 ACC  15   390.00000     0.66667    3
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
+ REMD exchange time=  3.906250000000000E-003
  REMD synchro at      400000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   167.738281250000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD gather times=   164.328125000000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.25000    4
 ACC   2   260.00000     0.50000    4
@@ -560,7 +560,7 @@ ACC  15   390.00000     0.75000    4
  REMD synchro at      500000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   208.859375000000       0.000000000000000E+000
+ REMD gather times=   205.671875000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
@@ -584,9 +584,9 @@ ACC  15   390.00000     0.60000    5
  REMD synchro at      600000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   250.097656250000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
+ REMD gather times=   246.761718750000       0.000000000000000E+000
+ REMD writing rst time=  7.812500000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.16667    6
 ACC   2   260.00000     0.66667    6
@@ -608,9 +608,9 @@ ACC  15   390.00000     0.66667    6
  REMD synchro at      700000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   291.156250000000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD gather times=   287.773437500000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.28571    7
 ACC   2   260.00000     0.71429    7
@@ -632,8 +632,8 @@ ACC  15   390.00000     0.71429    7
  REMD synchro at      800000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   332.488281250000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
+ REMD gather times=   328.542968750000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.25000    8
@@ -652,11 +652,11 @@ ACC  13   370.00000     1.00000    8
 ACC  14   380.00000     0.87500    8
 ACC  15   390.00000     0.62500    8
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
  REMD synchro at      900000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   373.636718750000       0.000000000000000E+000
+ REMD gather times=   369.570312500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
@@ -686,12 +686,12 @@ ACC  15   390.00000     0.66667    9
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.79074E+02
+           Energy & gradient evaluation:    3.74051E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.14688E+02
+                               MD steps:    4.10902E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   414.710937500000       sec
+ Total wall clock time   410.925781250000       sec
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/fort.2 b/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/fort.2
index e8a0260..65d5f38 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/fort.2
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/fort.2
@@ -5,7 +5,7 @@ Mol.Phys. 87 1117 (1996) Martyna et al.
 NVT-XI-RESPA algorithm
                                                 Temperature: 300.00000
                                                          Q =   1.00000
- H0=    234.175071150677     
+ H0=    216.062823208447     
  acceleration/energy drift too large   60509.0840965407     
    2009862066.08707       split increased to            2  itime      615542 
   itsplit           1
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/unres.csh b/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/unres.csh
index 822da15..c8394f9 100755
--- a/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/unres.csh
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD.out_GB000
index 08c1701..9520de4 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD.out_GB000
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD.out_GB000
@@ -5,35 +5,41 @@
  Output file                     : 1L2Y_REMD.out_GB000
  
  Sidechain potential file        : 
- /users/adam/unres//PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
- SCp potential file              : /users/adam/unres//PARAM/scp.parm
- Electrostatic potential file    : /users/adam/unres//PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ p8g-sc
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/adam/unres//PARAM/fourier_opt.parm.1igd_hc_iter3_3
- Torsional parameter file        : /users/adam/unres//PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/adam/unres//PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/adam/unres//PARAM/rotcorr_AM1.parm
- Bond & inertia constant file    : /users/adam/unres//PARAM/bond.parm
- Bending parameter file          : /users/adam/unres//PARAM/thetaml.5parm
- Rotamer parameter file          : /users/adam/unres//PARAM/scgauss.parm
- Threading database              : /users/adam/unres//PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 62
- compiled Sun May 13 16:07:22 2012
- compiled by adam@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
  OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
  flags:
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
  FC= ifort
- OPT =  -O3 -ip -w 
+ OPT =  -g -ip -w -CB 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
  FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
  FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
@@ -365,7 +371,7 @@ ndowna  16:  15
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
- -1.347581050579500E-017  1.082148419404750E-017  4.083578941150001E-018
+  2.286804207044001E-017  1.061730524699000E-017 -3.266863152920001E-018
 
 
               alpha-carbon coordinates            centroid coordinates
@@ -452,22 +458,22 @@ Initial:
 
     maximum acceleration    7.10627E-01
 
- Setup time  1.562500000000000E-002
+ Setup time  1.953125000000000E-002
  REMD synchro at      100000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   32.7773437500000       0.000000000000000E+000
+ REMD gather times=   41.2968750000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     1.00000    1
 ACC   2   260.00000     1.00000    1
-ACC   3   270.00000     1.00000    1
+ACC   3   270.00000     0.00000    1
 ACC   4   280.00000     1.00000    1
 ACC   5   290.00000     1.00000    1
 ACC   6   300.00000     0.00000    1
-ACC   7   310.00000     0.00000    1
-ACC   8   320.00000     0.00000    1
+ACC   7   310.00000     1.00000    1
+ACC   8   320.00000     1.00000    1
 ACC   9   330.00000     0.00000    1
 ACC  10   340.00000     0.00000    1
 ACC  11   350.00000     0.00000    1
@@ -477,248 +483,233 @@ ACC  14   380.00000     1.00000    1
 ACC  15   390.00000     1.00000    1
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   10.2692475218536     
-   9.19801076866059       split increased to            2  itime      144660 
-  itsplit           1
  REMD synchro at      200000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   65.5507812500000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
+ REMD gather times=   82.8515625000000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.50000    2
 ACC   2   260.00000     0.50000    2
-ACC   3   270.00000     1.00000    2
+ACC   3   270.00000     0.00000    2
 ACC   4   280.00000     1.00000    2
-ACC   5   290.00000     0.50000    2
+ACC   5   290.00000     1.00000    2
 ACC   6   300.00000     0.50000    2
 ACC   7   310.00000     0.50000    2
-ACC   8   320.00000     0.50000    2
+ACC   8   320.00000     1.00000    2
 ACC   9   330.00000     0.00000    2
 ACC  10   340.00000     0.50000    2
 ACC  11   350.00000     0.50000    2
-ACC  12   360.00000     0.50000    2
+ACC  12   360.00000     1.00000    2
 ACC  13   370.00000     1.00000    2
 ACC  14   380.00000     1.00000    2
 ACC  15   390.00000     1.00000    2
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   14.4778838599469     
-   22.1867930678403       split increased to            2  itime      216480 
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   11.7947192637743     
+   12.6185934898872       split increased to            2  itime      205273 
   itsplit           1
  REMD synchro at      300000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   98.2890625000000       0.000000000000000E+000
+ REMD gather times=   125.027343750000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.33333    3
-ACC   2   260.00000     0.66667    3
-ACC   3   270.00000     1.00000    3
-ACC   4   280.00000     0.66667    3
+ACC   2   260.00000     0.33333    3
+ACC   3   270.00000     0.33333    3
+ACC   4   280.00000     1.00000    3
 ACC   5   290.00000     0.66667    3
-ACC   6   300.00000     0.66667    3
+ACC   6   300.00000     0.33333    3
 ACC   7   310.00000     0.66667    3
 ACC   8   320.00000     0.66667    3
-ACC   9   330.00000     0.00000    3
+ACC   9   330.00000     0.33333    3
 ACC  10   340.00000     0.66667    3
 ACC  11   350.00000     0.66667    3
-ACC  12   360.00000     0.66667    3
-ACC  13   370.00000     1.00000    3
+ACC  12   360.00000     1.00000    3
+ACC  13   370.00000     0.66667    3
 ACC  14   380.00000     0.66667    3
-ACC  15   390.00000     0.66667    3
- REMD scatter time=  3.906250000000000E-003
- REMD exchange time=  7.812500000000000E-003
- acceleration/energy drift too large   13.5949337110146     
-   17.1429155690109       split increased to            2  itime      382676 
+ACC  15   390.00000     1.00000    3
+ REMD scatter time=  0.000000000000000E+000
+ REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   11.2341422335143     
+   16.0955510188413       split increased to            2  itime      348226 
   itsplit           1
  REMD synchro at      400000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   131.164062500000       0.000000000000000E+000
+ REMD gather times=   166.632812500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.25000    4
-ACC   2   260.00000     0.75000    4
-ACC   3   270.00000     0.75000    4
-ACC   4   280.00000     0.75000    4
-ACC   5   290.00000     0.50000    4
-ACC   6   300.00000     0.75000    4
-ACC   7   310.00000     0.75000    4
+ACC   2   260.00000     0.25000    4
+ACC   3   270.00000     0.25000    4
+ACC   4   280.00000     1.00000    4
+ACC   5   290.00000     0.75000    4
+ACC   6   300.00000     0.50000    4
+ACC   7   310.00000     0.50000    4
 ACC   8   320.00000     0.50000    4
-ACC   9   330.00000     0.25000    4
+ACC   9   330.00000     0.50000    4
 ACC  10   340.00000     0.75000    4
 ACC  11   350.00000     0.75000    4
-ACC  12   360.00000     0.50000    4
-ACC  13   370.00000     1.00000    4
+ACC  12   360.00000     1.00000    4
+ACC  13   370.00000     0.75000    4
 ACC  14   380.00000     0.75000    4
-ACC  15   390.00000     0.75000    4
+ACC  15   390.00000     1.00000    4
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   9.21361849793341     
-   10.8677442555886       split increased to            2  itime      406798 
-  itsplit           1
- acceleration/energy drift too large   11.4661661903248     
-   11.3565746853763       split increased to            2  itime      431285 
-  itsplit           1
- acceleration/energy drift too large   9.12510327664018     
-   11.8795729175046       split increased to            2  itime      453653 
+ acceleration/energy drift too large   11.1581687600111     
+   11.8937809741821       split increased to            2  itime      450747 
   itsplit           1
  REMD synchro at      500000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   164.027343750000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
+ REMD gather times=   208.304687500000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.20000    5
-ACC   2   260.00000     0.80000    5
-ACC   3   270.00000     0.80000    5
-ACC   4   280.00000     0.60000    5
-ACC   5   290.00000     0.60000    5
-ACC   6   300.00000     0.80000    5
-ACC   7   310.00000     0.80000    5
-ACC   8   320.00000     0.40000    5
+ACC   1   250.00000     0.40000    5
+ACC   2   260.00000     0.20000    5
+ACC   3   270.00000     0.20000    5
+ACC   4   280.00000     0.80000    5
+ACC   5   290.00000     0.80000    5
+ACC   6   300.00000     0.60000    5
+ACC   7   310.00000     0.40000    5
+ACC   8   320.00000     0.60000    5
 ACC   9   330.00000     0.40000    5
 ACC  10   340.00000     0.80000    5
-ACC  11   350.00000     0.60000    5
-ACC  12   360.00000     0.60000    5
-ACC  13   370.00000     1.00000    5
-ACC  14   380.00000     0.60000    5
+ACC  11   350.00000     0.80000    5
+ACC  12   360.00000     1.00000    5
+ACC  13   370.00000     0.80000    5
+ACC  14   380.00000     0.80000    5
 ACC  15   390.00000     0.80000    5
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
- acceleration/energy drift too large   13.5831722409554     
-   18.1557409044710       split increased to            2  itime      521515 
-  itsplit           1
- acceleration/energy drift too large   10.8154809994798     
-   11.2590526452597       split increased to            2  itime      555749 
+ REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   11.9473386275269     
+   16.6003287460296       split increased to            2  itime      529448 
   itsplit           1
- acceleration/energy drift too large   9.87865643855208     
-   11.2237001105368       split increased to            2  itime      575938 
+ acceleration/energy drift too large   10.7642600253068     
+   13.4561498306359       split increased to            2  itime      578217 
   itsplit           1
  REMD synchro at      600000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   198.058593750000       0.000000000000000E+000
+ REMD gather times=   250.296875000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.16667    6
-ACC   2   260.00000     0.66667    6
-ACC   3   270.00000     0.66667    6
-ACC   4   280.00000     0.50000    6
-ACC   5   290.00000     0.50000    6
-ACC   6   300.00000     0.83333    6
-ACC   7   310.00000     0.66667    6
-ACC   8   320.00000     0.50000    6
-ACC   9   330.00000     0.50000    6
-ACC  10   340.00000     0.83333    6
-ACC  11   350.00000     0.50000    6
-ACC  12   360.00000     0.66667    6
+ACC   1   250.00000     0.50000    6
+ACC   2   260.00000     0.33333    6
+ACC   3   270.00000     0.16667    6
+ACC   4   280.00000     0.83333    6
+ACC   5   290.00000     0.66667    6
+ACC   6   300.00000     0.50000    6
+ACC   7   310.00000     0.50000    6
+ACC   8   320.00000     0.66667    6
+ACC   9   330.00000     0.33333    6
+ACC  10   340.00000     0.66667    6
+ACC  11   350.00000     0.83333    6
+ACC  12   360.00000     1.00000    6
 ACC  13   370.00000     0.83333    6
-ACC  14   380.00000     0.66667    6
+ACC  14   380.00000     0.83333    6
 ACC  15   390.00000     0.83333    6
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
- acceleration/energy drift too large   10.1405477752545     
-   14.0455054892036       split increased to            2  itime      651174 
-  itsplit           1
+ REMD exchange time=  3.906250000000000E-003
  REMD synchro at      700000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   231.082031250000       0.000000000000000E+000
+ REMD gather times=   291.777343750000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.28571    7
-ACC   2   260.00000     0.57143    7
-ACC   3   270.00000     0.57143    7
-ACC   4   280.00000     0.42857    7
+ACC   1   250.00000     0.57143    7
+ACC   2   260.00000     0.42857    7
+ACC   3   270.00000     0.14286    7
+ACC   4   280.00000     0.71429    7
 ACC   5   290.00000     0.57143    7
-ACC   6   300.00000     0.85714    7
-ACC   7   310.00000     0.57143    7
-ACC   8   320.00000     0.42857    7
-ACC   9   330.00000     0.57143    7
+ACC   6   300.00000     0.57143    7
+ACC   7   310.00000     0.42857    7
+ACC   8   320.00000     0.71429    7
+ACC   9   330.00000     0.42857    7
 ACC  10   340.00000     0.71429    7
-ACC  11   350.00000     0.57143    7
-ACC  12   360.00000     0.71429    7
+ACC  11   350.00000     0.71429    7
+ACC  12   360.00000     1.00000    7
 ACC  13   370.00000     0.85714    7
-ACC  14   380.00000     0.71429    7
-ACC  15   390.00000     0.85714    7
+ACC  14   380.00000     0.85714    7
+ACC  15   390.00000     0.71429    7
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   8.23162588035763     
-   10.7407015461566       split increased to            2  itime      722736 
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   10.7793195017638     
+   13.5481889000988       split increased to            2  itime      789154 
   itsplit           1
  REMD synchro at      800000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   263.644531250000       0.000000000000000E+000
+ REMD gather times=   333.242187500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.25000    8
-ACC   2   260.00000     0.62500    8
-ACC   3   270.00000     0.50000    8
-ACC   4   280.00000     0.50000    8
+ACC   1   250.00000     0.62500    8
+ACC   2   260.00000     0.50000    8
+ACC   3   270.00000     0.25000    8
+ACC   4   280.00000     0.62500    8
 ACC   5   290.00000     0.62500    8
-ACC   6   300.00000     0.75000    8
-ACC   7   310.00000     0.62500    8
-ACC   8   320.00000     0.37500    8
-ACC   9   330.00000     0.50000    8
-ACC  10   340.00000     0.62500    8
-ACC  11   350.00000     0.62500    8
-ACC  12   360.00000     0.75000    8
-ACC  13   370.00000     0.87500    8
-ACC  14   380.00000     0.75000    8
-ACC  15   390.00000     0.87500    8
+ACC   6   300.00000     0.62500    8
+ACC   7   310.00000     0.50000    8
+ACC   8   320.00000     0.62500    8
+ACC   9   330.00000     0.37500    8
+ACC  10   340.00000     0.75000    8
+ACC  11   350.00000     0.75000    8
+ACC  12   360.00000     1.00000    8
+ACC  13   370.00000     0.75000    8
+ACC  14   380.00000     0.87500    8
+ACC  15   390.00000     0.75000    8
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   13.8949382919279     
-   21.6043010255298       split increased to            2  itime      858374 
+ acceleration/energy drift too large   9.66071688513195     
+   12.0796171071504       split increased to            2  itime      833577 
   itsplit           1
  REMD synchro at      900000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   296.550781250000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
+ REMD gather times=   375.066406250000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.22222    9
-ACC   2   260.00000     0.66667    9
-ACC   3   270.00000     0.55556    9
-ACC   4   280.00000     0.44444    9
-ACC   5   290.00000     0.66667    9
-ACC   6   300.00000     0.77778    9
-ACC   7   310.00000     0.55556    9
-ACC   8   320.00000     0.33333    9
-ACC   9   330.00000     0.55556    9
-ACC  10   340.00000     0.55556    9
-ACC  11   350.00000     0.66667    9
-ACC  12   360.00000     0.77778    9
-ACC  13   370.00000     0.88889    9
-ACC  14   380.00000     0.77778    9
-ACC  15   390.00000     0.88889    9
+ACC   1   250.00000     0.66667    9
+ACC   2   260.00000     0.44444    9
+ACC   3   270.00000     0.33333    9
+ACC   4   280.00000     0.66667    9
+ACC   5   290.00000     0.55556    9
+ACC   6   300.00000     0.66667    9
+ACC   7   310.00000     0.44444    9
+ACC   8   320.00000     0.66667    9
+ACC   9   330.00000     0.44444    9
+ACC  10   340.00000     0.66667    9
+ACC  11   350.00000     0.77778    9
+ACC  12   360.00000     0.88889    9
+ACC  13   370.00000     0.77778    9
+ACC  14   380.00000     0.88889    9
+ACC  15   390.00000     0.77778    9
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   9.17292539795275     
-   11.2544574789226       split increased to            2  itime      916641 
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   12.3943859835290     
+   15.4572766810046       split increased to            2  itime      946232 
   itsplit           1
- acceleration/energy drift too large   10.4284087174099     
-   13.3595980214727       split increased to            2  itime      949590 
+ acceleration/energy drift too large   10.5294013063566     
+   33.6470754235687       split increased to            2  itime      960546 
   itsplit           1
- acceleration/energy drift too large   12.0116953600714     
-   18.1187559464182       split increased to            2  itime      967312 
+ acceleration/energy drift too large   9.09627417363667     
+   10.9619024170769       split increased to            2  itime      972893 
   itsplit           1
- acceleration/energy drift too large   9.02648828637489     
-   13.7756790232264       split increased to            2  itime      972032 
+ acceleration/energy drift too large   10.8429639456552     
+   15.8998725659601       split increased to            2  itime      985022 
   itsplit           1
- acceleration/energy drift too large   10.6947954889208     
-   13.0967923555457       split increased to            2  itime      976695 
+ acceleration/energy drift too large   9.22390726200052     
+   25.4291482188530       split increased to            2  itime      993966 
   itsplit           1
  REMD synchro at     1000000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
@@ -728,13 +719,13 @@ ACC  15   390.00000     0.88889    9
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.05223E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.81410E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.29453E+02
+                               MD steps:    4.19094E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   329.468750000000       sec
+ Total wall clock time   419.113281250000       sec
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB000.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB000.stat
index 549ef13..28ec0ce 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB000.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB000.stat
@@ -1,101 +1,101 @@
          0           0.00      26.352      24.996      51.347    0.000000  12.87 0.000   NaN   NaN 0.711     239.075     250.000      15.552    0 
-     10000        1000.00      24.508     -31.371      -6.863   11.022341   7.83 0.071 0.900 0.350 0.735     222.347     250.000      10.048    0 
-     20000        2000.00      27.783     -29.329      -1.546   33.902143   7.95 0.071 0.857 0.279 0.536     252.064     250.000      10.339    0 
-     30000        3000.00      27.445     -24.322       3.123   38.090606   6.72 0.000 1.000 0.364 0.461     248.994     250.000       9.445    0 
-     40000        4000.00      22.592     -37.105     -14.513   43.147929   5.88 0.143 0.778 0.490 0.587     204.963     250.000       7.610    0 
-     50000        5000.00      28.753     -40.991     -12.238   48.675347   5.19 0.071 0.889 0.323 0.752     260.861     250.000       7.113    0 
-     60000        6000.00      33.745     -34.028      -0.283   65.224036   5.36 0.000 1.000 0.333 1.390     306.152     250.000       7.104    0 
-     70000        7000.00      24.377     -35.497     -11.120   84.104658   5.19 0.214 0.769 0.406 0.795     221.163     250.000       6.405    0 
-     80000        8000.00      27.501     -36.383      -8.882   94.310014   5.17 0.357 0.722 0.419 0.613     249.503     250.000       6.598    0 
-     90000        9000.00      24.222     -39.117     -14.895  100.906966   5.34 0.214 0.769 0.392 0.513     219.756     250.000       6.631    0 
-    100000       10000.00      27.195     -43.751     -16.556  114.165698   6.49 0.071 0.909 0.496 0.802     246.727     250.000       7.007    0 
-    110000       11000.00      30.780     -14.300      16.481  172.501605   5.80 0.000 1.000 0.568 0.613     279.255     300.000       7.919    0 
-    120000       12000.00      28.775     -27.778       0.997  192.260559   6.26 0.143 0.750 0.386 0.684     261.064     300.000       7.603    0 
-    130000       13000.00      23.677     -22.292       1.385  198.434066   6.92 0.000 1.000 0.420 0.528     214.810     300.000       7.039    0 
-    140000       14000.00      37.971     -27.123      10.848  210.545295   7.40 0.071 0.889 0.313 0.768     344.493     300.000       7.404    0 
-    150000       15000.00      27.259     -18.251       9.008  220.127850   4.45 0.214 0.727 0.384 0.599     247.308     300.000       7.352    0 
-    160000       16000.00      36.148     -20.404      15.744  227.179089   5.67 0.143 0.778 0.439 1.040     327.957     300.000       7.180    0 
-    170000       17000.00      35.478     -21.840      13.638  240.136705   4.33 0.214 0.727 0.347 0.885     321.876     300.000       7.032    0 
-    180000       18000.00      29.542     -16.956      12.587  252.324087   5.42 0.143 0.778 0.328 0.792     268.024     300.000       7.260    0 
-    190000       19000.00      31.116     -25.472       5.643  306.717282   5.08 0.214 0.700 0.245 0.701     282.299     300.000       7.249    0 
-    200000       20000.00      33.175     -27.572       5.603  315.268725   5.27 0.214 0.625 0.233 0.703     300.983     300.000       7.331    0 
-    210000       21000.00      39.543     -26.230      13.313  401.471430   4.90 0.143 0.750 0.290 1.236     358.755     330.000       7.359    0 
-    220000       22000.00      32.079     -15.731      16.348  408.406667   5.74 0.143 0.778 0.449 0.458     291.036     330.000       7.328    0 
-    230000       23000.00      42.664     -29.516      13.148  435.971245   5.79 0.071 0.889 0.404 0.594     387.072     330.000       7.452    0 
-    240000       24000.00      30.316     -17.562      12.754  461.251193   5.12 0.143 0.600 0.300 0.885     275.040     330.000       7.823    0 
-    250000       25000.00      38.650     -25.335      13.315  487.269306   4.31 0.143 0.750 0.312 0.366     350.650     330.000       7.395    0 
-    260000       26000.00      37.098     -19.987      17.111  500.334480   3.52 0.143 0.600 0.600 1.716     336.575     330.000       7.472    0 
-    270000       27000.00      41.528     -17.132      24.396  517.698657   4.60 0.143 0.750 0.227 0.608     376.764     330.000       8.035    0 
-    280000       28000.00      40.319     -23.647      16.672  536.945914   3.93 0.143 0.600 0.291 0.694     365.793     330.000       8.150    0 
-    290000       29000.00      36.782     -31.124       5.658  560.312829   6.21 0.214 0.625 0.352 0.703     333.703     330.000       7.350    0 
-    300000       30000.00      30.784     -27.992       2.792  568.863199   7.20 0.214 0.700 0.223 0.565     279.288     330.000       7.859    0 
-    310000       31000.00      35.175     -30.910       4.265  549.128231   5.35 0.357 0.500 0.173 0.601     319.122     320.000       7.969    0 
-    320000       32000.00      38.558     -24.407      14.151  559.051566   5.89 0.286 0.600 0.305 0.740     349.818     320.000       7.223    0 
-    330000       33000.00      41.100     -22.070      19.031  610.622073   6.60 0.214 0.571 0.312 1.218     372.884     320.000       7.041    0 
-    340000       34000.00      30.550     -33.193      -2.644  618.178354   4.78 0.286 0.200 0.409 0.852     277.162     320.000       7.556    0 
-    350000       35000.00      33.300     -22.979      10.321  650.817020   5.35 0.214 0.727 0.372 0.837     302.112     320.000       7.062    0 
-    360000       36000.00      41.143     -25.724      15.419  671.838165   5.48 0.143 0.818 0.388 0.706     373.267     320.000       6.959    0 
-    370000       37000.00      30.205     -27.337       2.869  697.487923   4.74 0.214 0.250 0.205 0.375     274.038     320.000       7.908    0 
-    380000       38000.00      33.221     -24.409       8.812  721.319319   5.55 0.286 0.636 0.285 1.347     301.395     320.000       7.017    0 
-    390000       39000.00      38.826     -33.756       5.070  743.078881   4.81 0.286 0.556 0.328 0.666     352.250     320.000       6.862    0 
-    400000       40000.00      37.547     -35.760       1.787  758.204192   6.07 0.214 0.727 0.368 0.550     340.642     320.000       6.548    0 
-    410000       41000.00      33.824     -31.836       1.987  748.534643   6.83 0.357 0.375 0.176 0.408     306.865     310.000      10.184    0 
-    420000       42000.00      25.295     -23.523       1.772  764.077308   5.11 0.143 0.667 0.212 0.662     229.491     310.000       8.569    0 
-    430000       43000.00      39.351     -27.090      12.261  772.581105   6.83 0.143 0.600 0.227 0.430     357.015     310.000       9.605    0 
-    440000       44000.00      36.170     -22.164      14.006  795.735438   5.93 0.214 0.500 0.205 0.492     328.150     310.000       9.932    0 
-    450000       45000.00      40.546     -26.612      13.934  835.511310   4.21 0.214 0.700 0.332 0.951     367.851     310.000       7.519    0 
-    460000       46000.00      32.922     -35.412      -2.490  845.037189   5.77 0.071 0.900 0.332 1.068     298.687     310.000       6.914    0 
-    470000       47000.00      31.321     -35.218      -3.897  843.865294   4.26 0.286 0.600 0.323 0.781     284.162     310.000       7.556    0 
-    480000       48000.00      36.034     -45.275      -9.241  861.938793   4.79 0.071 0.857 0.247 0.873     326.918     310.000       7.108    0 
-    490000       49000.00      24.663     -35.048     -10.386  885.000080   5.48 0.143 0.800 0.264 0.445     223.751     310.000       7.136    0 
-    500000       50000.00      37.028     -37.280      -0.252  900.493407   4.96 0.286 0.636 0.264 0.601     335.941     310.000       7.442    0 
-    510000       51000.00      31.937     -45.717     -13.780  890.200463   4.39 0.357 0.615 0.364 0.629     289.746     300.000       6.989    0 
-    520000       52000.00      32.745     -23.586       9.158  896.516907   5.33 0.357 0.583 0.231 0.421     297.077     300.000       6.974    0 
-    530000       53000.00      28.618     -33.837      -5.219  921.983861   4.79 0.214 0.750 0.330 0.280     259.633     300.000       7.010    0 
-    540000       54000.00      29.900     -33.390      -3.490  922.087489   4.93 0.143 0.818 0.264 0.646     271.269     300.000       6.732    0 
-    550000       55000.00      30.047     -39.328      -9.281  944.308921   4.35 0.143 0.667 0.182 0.877     272.605     300.000       7.686    0 
-    560000       56000.00      30.073     -43.189     -13.116  973.419258   4.57 0.214 0.727 0.397 0.945     272.836     300.000       7.365    0 
-    570000       57000.00      36.046     -40.508      -4.462 1007.296383   4.88 0.286 0.667 0.379 0.703     327.025     300.000       7.076    0 
-    580000       58000.00      27.565     -35.392      -7.827 1018.059455   4.19 0.357 0.545 0.455 1.027     250.081     300.000       7.373    0 
-    590000       59000.00      29.509     -36.781      -7.272 1042.446300   3.93 0.286 0.667 0.326 0.853     267.717     300.000       7.497    0 
-    600000       60000.00      36.716     -26.127      10.589 1070.918639   4.53 0.286 0.600 0.209 0.686     333.108     300.000       7.332    0 
-    610000       61000.00      40.207     -34.415       5.792 1131.695446   4.67 0.357 0.583 0.436 0.734     364.782     310.000       7.161    0 
-    620000       62000.00      30.039     -40.272     -10.233 1144.253333   5.54 0.286 0.750 0.344 0.886     272.526     310.000       6.851    0 
-    630000       63000.00      27.284     -44.035     -16.751 1172.013063   5.62 0.357 0.688 0.338 0.312     247.538     310.000       6.786    0 
-    640000       64000.00      33.010     -34.511      -1.502 1196.801885   4.13 0.286 0.556 0.389 1.252     299.482     310.000       7.456    0 
-    650000       65000.00      32.453     -31.696       0.757 1206.850978   3.83 0.143 0.500 0.148 0.396     294.427     310.000       7.820    0 
-    660000       66000.00      36.229     -32.049       4.180 1220.140266   5.44 0.143 0.667 0.205 0.959     328.690     310.000       7.524    0 
-    670000       67000.00      33.166     -32.916       0.249 1245.297423   4.67 0.143 0.667 0.258 0.521     300.899     310.000       7.501    0 
-    680000       68000.00      38.900     -40.117      -1.217 1270.932982   5.15 0.286 0.692 0.301 0.803     352.922     310.000       6.763    0 
-    690000       69000.00      33.353     -33.872      -0.520 1284.280412   6.04 0.071 0.857 0.175 1.346     302.592     310.000       7.777    0 
-    700000       70000.00      44.343     -39.229       5.114 1290.084295   4.12 0.143 0.667 0.265 0.484     402.301     310.000       7.446    0 
-    710000       71000.00      34.166     -34.130       0.036 1255.777972   6.46 0.214 0.727 0.277 0.520     309.976     300.000       6.873    0 
-    720000       72000.00      40.683     -39.626       1.057 1294.660702   5.48 0.357 0.688 0.239 0.770     369.100     300.000       7.013    0 
-    730000       73000.00      37.351     -44.276      -6.925 1319.559238   7.15 0.286 0.556 0.207 0.762     338.871     300.000       7.857    0 
-    740000       74000.00      30.311     -37.875      -7.565 1326.207145   4.27 0.357 0.545 0.182 0.419     274.993     300.000       7.920    0 
-    750000       75000.00      31.059     -42.627     -11.568 1330.172493   2.51 0.357 0.583 0.223 0.250     281.784     300.000       7.014    0 
-    760000       76000.00      31.661     -33.534      -1.873 1341.250618   5.87 0.286 0.500 0.210 0.637     287.246     300.000       7.685    0 
-    770000       77000.00      34.101     -32.093       2.008 1355.892821   5.12 0.286 0.600 0.241 0.427     309.379     300.000       6.991    0 
-    780000       78000.00      35.887     -38.067      -2.180 1362.305689   3.46 0.286 0.667 0.413 0.616     325.583     300.000       6.674    0 
-    790000       79000.00      35.031     -35.111      -0.080 1387.774221   4.21 0.143 0.750 0.278 0.607     317.816     300.000       7.041    0 
-    800000       80000.00      29.988     -35.521      -5.533 1415.275965   3.89 0.143 0.818 0.310 0.754     272.064     300.000       6.845    0 
-    810000       81000.00      29.952     -41.070     -11.118 1394.197267   3.27 0.429 0.647 0.436 0.756     271.737     290.000       7.003    0 
-    820000       82000.00      44.963     -43.736       1.227 1415.757956   3.84 0.286 0.667 0.352 0.951     407.925     290.000       6.786    0 
-    830000       83000.00      35.838     -43.057      -7.219 1430.088155   2.80 0.357 0.444 0.207 1.363     325.143     290.000       7.254    0 
-    840000       84000.00      37.565     -44.291      -6.725 1439.489655   3.42 0.500 0.533 0.327 1.181     340.813     290.000       6.688    0 
-    850000       85000.00      33.224     -41.365      -8.142 1447.253581   3.51 0.286 0.500 0.267 0.765     301.423     290.000       7.233    0 
-    860000       86000.00      33.125     -41.963      -8.838 1460.627851   6.91 0.214 0.727 0.211 0.800     300.527     290.000       7.046    0 
-    870000       87000.00      36.913     -32.188       4.725 1466.426433   4.06 0.214 0.667 0.263 0.812     334.896     290.000       6.668    0 
-    880000       88000.00      32.386     -30.105       2.282 1469.001627   6.16 0.286 0.600 0.332 0.535     293.827     290.000       6.964    0 
-    890000       89000.00      35.225     -35.996      -0.771 1484.750041   6.33 0.143 0.857 0.266 0.822     319.577     290.000       7.232    0 
-    900000       90000.00      32.232     -41.726      -9.494 1527.101327   5.99 0.286 0.714 0.318 0.763     292.430     290.000       7.012    0 
-    910000       91000.00      39.637     -28.223      11.414 1664.286557   6.45 0.286 0.667 0.409 0.631     359.605     310.000       6.825    0 
-    920000       92000.00      44.371     -24.014      20.357 1662.868710   5.79 0.214 0.500 0.189 1.159     402.552     310.000       8.179    0 
-    930000       93000.00      33.552     -41.628      -8.076 1672.182769   4.86 0.214 0.750 0.413 0.596     304.402     310.000       6.869    0 
-    940000       94000.00      28.025     -29.357      -1.332 1691.604417   4.19 0.286 0.600 0.395 1.015     254.257     310.000       7.652    0 
-    950000       95000.00      38.027     -27.575      10.451 1704.084939   3.84 0.286 0.667 0.322 0.805     344.998     310.000       7.154    0 
-    960000       96000.00      35.572     -30.903       4.669 1722.081209   4.30 0.071 0.857 0.214 0.448     322.726     310.000       7.200    0 
-    970000       97000.00      37.664     -40.770      -3.106 1743.377631   4.47 0.214 0.667 0.379 1.015     341.707     310.000       6.902    0 
-    980000       98000.00      35.318     -33.083       2.235 1769.257370   4.64 0.286 0.692 0.308 0.567     320.424     310.000       7.481    0 
-    990000       99000.00      32.251     -36.022      -3.771 1777.834496   3.03 0.286 0.600 0.291 0.519     292.597     310.000       6.978    0 
-   1000000      100000.00      26.276     -38.142     -11.865 1806.935262   3.17 0.500 0.533 0.303 0.469     238.393     310.000       6.784    0 
+     10000        1000.00      28.687     -22.505       6.182    2.833513   5.22 0.071 0.667 0.182 0.264     260.264     250.000       9.812    0 
+     20000        2000.00      35.766     -36.411      -0.645    9.271028   5.91 0.214 0.769 0.332 0.536     324.488     250.000       7.386    0 
+     30000        3000.00      29.068     -43.015     -13.947   22.863291   5.29 0.143 0.833 0.409 0.483     263.716     250.000       6.958    0 
+     40000        4000.00      19.590     -41.864     -22.274   33.854089   5.68 0.286 0.667 0.383 0.674     177.733     250.000       6.517    0 
+     50000        5000.00      26.338     -37.445     -11.106   42.646447   5.39 0.286 0.667 0.299 0.803     238.952     250.000       6.625    0 
+     60000        6000.00      23.130     -39.475     -16.345   50.420362   5.88 0.357 0.615 0.325 0.775     209.851     250.000       6.678    0 
+     70000        7000.00      33.643     -49.389     -15.746   65.337030   6.30 0.214 0.800 0.376 0.766     305.224     250.000       6.653    0 
+     80000        8000.00      26.497     -44.802     -18.305   71.988770   5.65 0.357 0.615 0.315 1.008     240.399     250.000       6.843    0 
+     90000        9000.00      27.639     -42.097     -14.458   89.920655   5.02 0.214 0.750 0.390 0.577     250.757     250.000       6.846    0 
+    100000       10000.00      31.595     -42.594     -11.000  105.830410   4.97 0.357 0.722 0.407 0.701     286.643     250.000       6.583    0 
+    110000       11000.00      28.204     -41.364     -13.160  146.663624   5.43 0.214 0.667 0.333 0.358     255.880     270.000       7.206    0 
+    120000       12000.00      26.244     -44.157     -17.913  161.371579   5.38 0.214 0.786 0.429 1.119     238.099     270.000       7.098    0 
+    130000       13000.00      32.965     -39.014      -6.049  165.227208   5.89 0.286 0.692 0.332 0.437     299.072     270.000       6.775    0 
+    140000       14000.00      29.594     -41.247     -11.652  168.811788   5.53 0.214 0.700 0.441 0.359     268.494     270.000       7.191    0 
+    150000       15000.00      29.612     -43.354     -13.742  182.781241   5.39 0.143 0.818 0.488 0.355     268.658     270.000       6.902    0 
+    160000       16000.00      41.125     -45.994      -4.869  195.631332   5.66 0.214 0.667 0.359 0.747     373.104     270.000       6.900    0 
+    170000       17000.00      33.843     -44.300     -10.457  213.698348   6.46 0.286 0.667 0.330 0.590     307.044     270.000       6.904    0 
+    180000       18000.00      32.834     -41.197      -8.363  229.927763   6.17 0.286 0.556 0.288 1.010     297.884     270.000       7.148    0 
+    190000       19000.00      33.534     -31.887       1.647  245.897933   4.85 0.286 0.765 0.372 1.041     304.241     270.000       7.048    0 
+    200000       20000.00      30.477     -37.723      -7.245  269.811066   5.45 0.143 0.778 0.374 0.942     276.507     270.000       6.977    0 
+    210000       21000.00      27.238     -31.916      -4.678  281.138365   6.41 0.143 0.750 0.341 0.428     247.113     270.000       6.759    0 
+    220000       22000.00      29.016     -46.503     -17.487  288.073074   5.66 0.143 0.800 0.441 0.962     263.250     270.000       6.796    0 
+    230000       23000.00      30.263     -50.806     -20.543  290.686563   4.83 0.286 0.733 0.270 0.462     274.563     270.000       6.979    0 
+    240000       24000.00      33.224     -55.057     -21.832  302.659685   4.90 0.214 0.800 0.367 0.838     301.430     270.000       6.640    0 
+    250000       25000.00      29.726     -42.459     -12.733  306.356943   4.88 0.214 0.727 0.289 1.079     269.686     270.000       6.999    0 
+    260000       26000.00      23.366     -49.411     -26.045  310.351637   6.83 0.143 0.818 0.281 0.521     211.985     270.000       7.087    0 
+    270000       27000.00      26.121     -44.682     -18.562  318.016523   6.91 0.143 0.818 0.240 0.570     236.981     270.000       7.451    0 
+    280000       28000.00      30.141     -49.415     -19.273  321.016786   6.14 0.286 0.667 0.205 0.796     273.457     270.000       7.648    0 
+    290000       29000.00      32.560     -46.998     -14.438  333.905395   3.58 0.357 0.667 0.245 1.221     295.404     270.000       6.927    0 
+    300000       30000.00      28.393     -50.325     -21.932  348.051413   4.37 0.286 0.714 0.201 0.752     257.597     270.000       6.909    0 
+    310000       31000.00      31.739     -48.944     -17.205  397.256118   1.69 0.500 0.562 0.270 0.731     287.955     290.000       6.641    0 
+    320000       32000.00      31.914     -43.142     -11.228  401.247696   2.99 0.357 0.643 0.367 2.399     289.540     290.000       6.838    0 
+    330000       33000.00      32.586     -27.775       4.811  417.957913   3.54 0.286 0.636 0.347 0.748     295.634     290.000       6.740    0 
+    340000       34000.00      33.276     -40.704      -7.428  432.573249   4.26 0.429 0.667 0.429 1.071     301.898     290.000       6.331    0 
+    350000       35000.00      30.622     -43.944     -13.321  446.497379   4.02 0.429 0.571 0.367 0.533     277.823     290.000       6.757    0 
+    360000       36000.00      30.434     -45.004     -14.570  453.247470   3.28 0.357 0.643 0.432 0.734     276.114     290.000       6.684    0 
+    370000       37000.00      31.592     -33.048      -1.456  469.765559   3.63 0.357 0.643 0.325 0.966     286.620     290.000       6.595    0 
+    380000       38000.00      34.210     -38.834      -4.624  486.835083   3.62 0.500 0.611 0.396 0.557     310.370     290.000       6.438    0 
+    390000       39000.00      42.929     -47.945      -5.016  486.554451   3.77 0.429 0.625 0.332 0.479     389.474     290.000       6.513    0 
+    400000       40000.00      31.256     -30.196       1.060  503.851796   4.47 0.214 0.727 0.240 0.920     283.570     290.000       6.905    0 
+    410000       41000.00      34.375     -46.522     -12.147  486.444184   4.02 0.286 0.733 0.361 0.367     311.870     280.000       6.608    0 
+    420000       42000.00      22.382     -48.029     -25.647  497.394069   3.34 0.429 0.600 0.352 0.932     203.061     280.000       6.686    0 
+    430000       43000.00      38.983     -50.272     -11.289  510.170489   3.51 0.286 0.636 0.318 0.999     353.676     280.000       6.798    0 
+    440000       44000.00      31.129     -46.432     -15.303  520.942045   2.93 0.500 0.125 0.176 0.864     282.416     280.000       7.037    0 
+    450000       45000.00      32.194     -44.984     -12.789  518.737325   3.78 0.286 0.692 0.283 0.392     292.085     280.000       6.984    0 
+    460000       46000.00      30.621     -45.630     -15.009  529.072436   3.41 0.357 0.643 0.383 1.299     277.813     280.000       6.438    0 
+    470000       47000.00      31.640     -48.981     -17.342  541.970038   3.40 0.286 0.667 0.390 0.843     287.050     280.000       6.528    0 
+    480000       48000.00      26.651     -53.041     -26.390  558.337008   2.97 0.286 0.765 0.345 0.544     241.790     280.000       6.737    0 
+    490000       49000.00      22.174     -47.681     -25.506  575.837355   4.02 0.429 0.684 0.409 0.484     201.178     280.000       6.164    0 
+    500000       50000.00      27.371     -49.216     -21.845  583.874614   4.73 0.214 0.833 0.399 0.966     248.325     280.000       6.409    0 
+    510000       51000.00      26.226     -46.466     -20.240  600.101477   5.77 0.357 0.545 0.186 1.005     237.940     280.000       8.058    0 
+    520000       52000.00      26.206     -46.156     -19.950  609.488094   7.00 0.214 0.800 0.221 0.514     237.757     280.000       7.255    0 
+    530000       53000.00      29.718     -36.613      -6.895  617.495050   7.00 0.214 0.769 0.206 0.892     269.619     280.000       7.088    0 
+    540000       54000.00      32.556     -42.388      -9.832  622.574875   6.72 0.286 0.714 0.231 0.692     295.364     280.000       7.393    0 
+    550000       55000.00      27.908     -53.401     -25.493  631.922498   6.78 0.286 0.667 0.208 1.086     253.193     280.000       7.291    0 
+    560000       56000.00      36.802     -44.255      -7.453  643.249732   7.39 0.143 0.846 0.255 0.738     333.890     280.000       7.371    0 
+    570000       57000.00      34.281     -53.237     -18.956  654.599332   7.01 0.143 0.846 0.273 0.362     311.017     280.000       7.317    0 
+    580000       58000.00      28.600     -50.465     -21.866  660.575736   6.19 0.286 0.556 0.232 0.554     259.470     280.000       7.373    0 
+    590000       59000.00      28.624     -47.803     -19.180  665.256971   5.26 0.429 0.600 0.309 0.904     259.689     280.000       7.159    0 
+    600000       60000.00      30.596     -40.397      -9.801  668.685015   5.22 0.214 0.727 0.347 0.433     277.586     280.000       6.859    0 
+    610000       61000.00      37.833     -47.793      -9.961  699.515132   4.88 0.214 0.750 0.284 0.594     343.238     290.000       6.988    0 
+    620000       62000.00      31.641     -40.427      -8.786  707.549678   6.86 0.071 0.900 0.241 0.331     287.065     290.000       7.616    0 
+    630000       63000.00      32.894     -37.900      -5.006  716.497651   5.12 0.143 0.750 0.205 0.526     298.436     290.000       8.120    0 
+    640000       64000.00      27.805     -32.831      -5.025  720.402966   7.12 0.071 0.800 0.182 0.672     252.265     290.000       7.545    0 
+    650000       65000.00      33.400     -27.677       5.723  732.039156   4.31 0.143 0.750 0.216 0.578     303.018     290.000       7.102    0 
+    660000       66000.00      28.692     -41.662     -12.970  743.937202   4.29 0.286 0.750 0.344 0.332     260.309     290.000       6.378    0 
+    670000       67000.00      34.248     -45.302     -11.053  759.758180   3.42 0.429 0.571 0.286 0.941     310.719     290.000       6.771    0 
+    680000       68000.00      33.594     -39.409      -5.816  774.621140   4.09 0.286 0.778 0.366 0.945     304.780     290.000       6.457    0 
+    690000       69000.00      36.328     -38.750      -2.423  784.604850   3.88 0.214 0.750 0.273 0.533     329.583     290.000       7.494    0 
+    700000       70000.00      21.448     -42.711     -21.263  800.773400   2.82 0.286 0.692 0.332 0.407     194.590     290.000       6.541    0 
+    710000       71000.00      32.860     -36.946      -4.087  814.987782   4.16 0.286 0.500 0.347 0.847     298.121     290.000       6.918    0 
+    720000       72000.00      36.490     -47.003     -10.512  822.561061   4.35 0.571 0.619 0.442 0.815     331.059     290.000       6.263    0 
+    730000       73000.00      31.232     -40.704      -9.471  837.796620   4.60 0.357 0.667 0.452 0.890     283.353     290.000       6.526    0 
+    740000       74000.00      27.387     -42.175     -14.788  852.983281   3.30 0.357 0.545 0.364 0.665     248.469     290.000       6.916    0 
+    750000       75000.00      36.931     -41.133      -4.203  883.535738   3.24 0.429 0.571 0.331 1.404     335.055     290.000       6.773    0 
+    760000       76000.00      28.929     -42.558     -13.629  891.803658   2.14 0.429 0.455 0.269 0.337     262.460     290.000       7.145    0 
+    770000       77000.00      38.217     -32.814       5.403  904.345974   1.46 0.357 0.375 0.335 0.792     346.723     290.000       7.082    0 
+    780000       78000.00      25.426     -37.267     -11.841  914.290050   3.98 0.286 0.600 0.241 0.523     230.680     290.000       7.687    0 
+    790000       79000.00      31.321     -45.754     -14.433  925.650755   2.92 0.429 0.600 0.300 0.528     284.161     290.000       6.539    0 
+    800000       80000.00      28.261     -36.530      -8.269  928.617458   3.78 0.429 0.538 0.234 0.581     256.399     290.000       7.814    0 
+    810000       81000.00      27.391     -36.622      -9.230 1060.543826   3.51 0.143 0.846 0.392 0.567     248.507     320.000       6.393    0 
+    820000       82000.00      32.648     -27.402       5.246 1070.552083   6.04 0.214 0.500 0.182 0.682     296.202     320.000       8.922    0 
+    830000       83000.00      39.878     -34.862       5.016 1096.176395   5.93 0.286 0.600 0.205 0.875     361.796     320.000       7.702    0 
+    840000       84000.00      33.096     -30.558       2.538 1102.119645   5.96 0.286 0.500 0.193 0.813     300.261     320.000       8.364    0 
+    850000       85000.00      32.908     -30.412       2.496 1102.647977   6.20 0.143 0.667 0.212 0.526     298.556     320.000       7.732    0 
+    860000       86000.00      35.934     -30.674       5.260 1152.318453   4.66 0.286 0.714 0.211 0.814     326.012     320.000       6.840    0 
+    870000       87000.00      25.985     -25.058       0.927 1154.892632   5.30 0.214 0.727 0.405 1.021     235.749     320.000       6.969    0 
+    880000       88000.00      34.715     -24.268      10.447 1162.697941   4.82 0.357 0.500 0.191 0.710     314.950     320.000       7.483    0 
+    890000       89000.00      37.372     -29.524       7.848 1190.977475   6.24 0.214 0.400 0.273 0.860     339.061     320.000       7.703    0 
+    900000       90000.00      34.443     -29.022       5.421 1197.650575   4.95 0.286 0.600 0.395 0.751     312.481     320.000       7.388    0 
+    910000       91000.00      42.367     -14.115      28.252 1312.674063   5.34 0.214 0.769 0.311 0.696     384.377     340.000       7.401    0 
+    920000       92000.00      41.099     -24.074      17.026 1349.902398   5.13 0.071 0.857 0.513 0.818     372.874     340.000       7.385    0 
+    930000       93000.00      36.470      -4.824      31.646 1365.643781   5.58 0.143 0.600 0.300 0.922     330.876     340.000       8.279    0 
+    940000       94000.00      28.818      -9.573      19.245 1397.901372   6.43 0.000 1.000 0.489 0.430     261.455     340.000       9.522    0 
+    950000       95000.00      40.550      -9.969      30.581 1428.650395  11.19 0.000 1.000 0.227 0.912     367.890     340.000      13.871    0 
+    960000       96000.00      35.918       5.933      41.851 1480.407739   9.29 0.000   NaN   NaN 0.757     325.866     340.000      14.036    0 
+    970000       97000.00      39.373      -5.870      33.504 1559.999467   9.36 0.000 1.000 0.273 0.814     357.215     340.000      12.362    0 
+    980000       98000.00      40.961     -16.182      24.779 1575.013163   6.68 0.143 0.000 0.159 0.711     371.615     340.000      10.550    0 
+    990000       99000.00      25.253     -23.922       1.332 1594.106415   7.88 0.143 0.333 0.152 1.570     229.109     340.000       8.446    0 
+   1000000      100000.00      33.225     -25.351       7.873 1684.049519   5.90 0.071 0.889 0.242 0.561     301.434     340.000       7.393    0 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB001.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB001.stat
index ff5ba39..341759d 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB001.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB001.stat
@@ -1,101 +1,101 @@
          0           0.00      26.348      24.992      51.340    0.000000  12.87 0.000   NaN   NaN 0.710     239.041     260.000      15.552    1 
-     10000        1000.00      26.602     -39.413     -12.811   20.188178   6.49 0.071 0.900 0.305 0.382     241.350     260.000       7.074    1 
-     20000        2000.00      29.448     -24.016       5.432   39.562582   6.56 0.071 0.889 0.348 0.622     267.170     260.000       7.349    1 
-     30000        3000.00      29.569     -41.772     -12.202   46.700539   4.83 0.214 0.812 0.395 0.421     268.270     260.000       6.885    1 
-     40000        4000.00      31.565     -38.597      -7.032   73.713522   6.48 0.071 0.889 0.278 0.724     286.371     260.000       6.730    1 
-     50000        5000.00      32.695     -47.765     -15.070   85.684905   4.41 0.429 0.571 0.390 0.751     296.627     260.000       6.771    1 
-     60000        6000.00      28.124     -42.763     -14.639  109.141207   3.61 0.286 0.667 0.239 0.422     255.154     260.000       6.685    1 
-     70000        7000.00      29.302     -44.855     -15.553  124.190094   4.84 0.357 0.500 0.268 1.177     265.846     260.000       6.738    1 
-     80000        8000.00      27.221     -51.774     -24.554  139.592242   4.42 0.214 0.824 0.372 0.660     246.958     260.000       6.768    1 
-     90000        9000.00      32.116     -46.051     -13.935  151.898669   4.55 0.286 0.556 0.283 0.537     291.371     260.000       7.399    1 
-    100000       10000.00      30.260     -47.994     -17.734  152.633073   4.26 0.286 0.667 0.216 0.699     274.536     260.000       6.930    1 
-    110000       11000.00      30.541     -53.318     -22.777  148.390975   4.47 0.357 0.615 0.304 0.403     277.080     250.000       7.022    1 
-    120000       12000.00      27.796     -58.723     -30.927  155.564374   4.81 0.357 0.643 0.315 0.464     252.176     250.000       6.625    1 
-    130000       13000.00      24.633     -50.129     -25.496  158.644160   4.72 0.214 0.700 0.286 0.851     223.486     250.000       6.888    1 
-    140000       14000.00      23.679     -53.123     -29.445  165.521169   5.28 0.286 0.667 0.273 0.687     214.826     250.000       6.596    1 
-    150000       15000.00      32.233     -56.158     -23.924  175.807613   4.64 0.143 0.833 0.337 0.916     292.436     250.000       6.715    1 
-    160000       16000.00      30.825     -60.370     -29.545  183.232068   4.73 0.500 0.632 0.321 0.601     279.661     250.000       6.650    1 
-    170000       17000.00      28.655     -57.165     -28.510  191.767989   4.16 0.429 0.600 0.309 0.746     259.970     250.000       6.915    1 
-    180000       18000.00      29.519     -56.963     -27.444  201.382662   4.82 0.286 0.765 0.353 0.592     267.808     250.000       6.351    1 
-    190000       19000.00      29.743     -63.009     -33.266  204.255654   4.48 0.143 0.857 0.341 0.668     269.842     250.000       6.399    1 
-    200000       20000.00      28.965     -56.673     -27.709  230.535653   4.48 0.357 0.667 0.288 0.711     262.783     250.000       6.603    1 
-    210000       21000.00      24.178     -55.269     -31.091  233.410878   4.46 0.429 0.625 0.244 0.692     219.353     250.000       7.016    1 
-    220000       22000.00      25.324     -56.755     -31.430  241.832234   5.47 0.286 0.692 0.332 0.573     229.754     250.000       6.730    1 
-    230000       23000.00      27.884     -55.868     -27.984  246.386094   5.16 0.286 0.714 0.295 0.361     252.975     250.000       6.736    1 
-    240000       24000.00      28.730     -56.064     -27.334  250.226165   4.21 0.429 0.600 0.264 0.524     260.653     250.000       6.983    1 
-    250000       25000.00      25.663     -52.632     -26.969  258.564268   4.97 0.357 0.688 0.264 0.603     232.825     250.000       6.668    1 
-    260000       26000.00      27.707     -54.859     -27.152  273.661827   4.47 0.500 0.500 0.256 0.981     251.369     250.000       6.995    1 
-    270000       27000.00      23.795     -53.557     -29.762  282.332421   4.41 0.357 0.667 0.370 0.534     215.876     250.000       6.743    1 
-    280000       28000.00      22.905     -44.491     -21.585  288.419004   4.65 0.429 0.571 0.227 1.492     207.810     250.000       6.811    1 
-    290000       29000.00      27.515     -50.145     -22.630  289.417136   3.58 0.357 0.667 0.236 0.872     249.628     250.000       6.868    1 
-    300000       30000.00      31.617     -62.467     -30.849  297.291295   4.70 0.143 0.857 0.357 0.625     286.848     250.000       6.433    1 
-    310000       31000.00      28.721     -46.854     -18.133  299.129697   4.88 0.214 0.750 0.299 0.793     260.572     250.000       6.547    1 
-    320000       32000.00      20.724     -61.133     -40.409  301.701256   3.16 0.357 0.688 0.247 0.382     188.019     250.000       6.950    1 
-    330000       33000.00      33.343     -59.700     -26.357  302.127429   3.54 0.429 0.667 0.275 0.546     302.507     250.000       6.718    1 
-    340000       34000.00      29.421     -56.850     -27.429  316.945155   3.08 0.286 0.789 0.313 0.540     266.922     250.000       6.533    1 
-    350000       35000.00      27.276     -60.204     -32.928  316.885859   3.15 0.357 0.706 0.321 0.744     247.461     250.000       6.500    1 
-    360000       36000.00      36.669     -62.225     -25.556  326.851064   3.04 0.429 0.700 0.302 0.701     332.680     250.000       6.733    1 
-    370000       37000.00      21.545     -61.629     -40.084  326.801974   3.79 0.286 0.714 0.321 0.399     195.465     250.000       6.618    1 
-    380000       38000.00      29.737     -54.563     -24.826  332.177528   3.58 0.286 0.714 0.256 0.441     269.792     250.000       6.665    1 
-    390000       39000.00      27.545     -64.433     -36.888  334.423636   3.95 0.286 0.714 0.276 0.813     249.906     250.000       7.157    1 
-    400000       40000.00      34.255     -56.551     -22.296  338.849021   4.00 0.214 0.700 0.218 1.002     310.779     250.000       7.570    1 
-    410000       41000.00      31.821     -49.968     -18.147  342.211958   4.21 0.071 0.933 0.348 0.590     288.697     250.000       7.093    1 
-    420000       42000.00      27.762     -58.224     -30.462  349.033874   4.96 0.214 0.786 0.318 0.418     251.872     250.000       6.732    1 
-    430000       43000.00      26.232     -57.310     -31.078  349.216064   4.99 0.214 0.700 0.273 0.289     237.989     250.000       7.569    1 
-    440000       44000.00      29.337     -52.753     -23.416  349.690127   4.78 0.286 0.600 0.268 0.731     266.162     250.000       7.688    1 
-    450000       45000.00      29.030     -60.371     -31.341  353.597125   4.99 0.214 0.769 0.290 0.450     263.373     250.000       6.730    1 
-    460000       46000.00      24.502     -60.822     -36.319  354.426826   4.19 0.214 0.769 0.269 0.539     222.295     250.000       7.096    1 
-    470000       47000.00      29.452     -60.284     -30.833  364.304202   4.44 0.429 0.647 0.219 0.466     267.199     250.000       7.290    1 
-    480000       48000.00      25.075     -51.181     -26.106  372.246274   4.80 0.357 0.545 0.207 0.542     227.492     250.000       7.857    1 
-    490000       49000.00      30.202     -55.093     -24.891  373.696248   4.24 0.286 0.733 0.282 1.014     274.012     250.000       7.226    1 
-    500000       50000.00      24.575     -59.725     -35.150  377.868699   4.07 0.286 0.692 0.196 0.402     222.961     250.000       7.295    1 
-    510000       51000.00      33.378     -58.154     -24.776  378.106866   4.12 0.214 0.750 0.235 0.985     302.821     250.000       6.973    1 
-    520000       52000.00      25.391     -55.174     -29.783  395.356823   3.99 0.357 0.688 0.261 0.885     230.357     250.000       6.902    1 
-    530000       53000.00      33.690     -51.983     -18.293  397.939795   5.58 0.071 0.889 0.182 1.020     305.654     250.000       7.812    1 
-    540000       54000.00      26.215     -62.996     -36.781  407.095890   4.17 0.357 0.706 0.281 0.577     237.838     250.000       6.881    1 
-    550000       55000.00      27.989     -59.322     -31.334  411.356533   4.01 0.357 0.688 0.281 0.593     253.928     250.000       6.826    1 
-    560000       56000.00      23.897     -55.748     -31.851  414.842349   2.92 0.429 0.600 0.285 0.422     216.810     250.000       6.838    1 
-    570000       57000.00      28.934     -68.731     -39.797  418.958993   2.93 0.571 0.636 0.300 0.724     262.507     250.000       6.789    1 
-    580000       58000.00      27.491     -65.571     -38.080  422.931897   3.07 0.429 0.727 0.318 0.578     249.416     250.000       6.633    1 
-    590000       59000.00      24.938     -59.461     -34.523  447.506231   2.70 0.500 0.667 0.279 0.455     226.249     250.000       6.694    1 
-    600000       60000.00      27.756     -66.159     -38.403  458.986426   2.97 0.500 0.611 0.210 0.830     251.818     250.000       6.851    1 
-    610000       61000.00      36.537     -61.521     -24.984  465.621063   2.84 0.286 0.765 0.332 1.614     331.482     250.000       6.815    1 
-    620000       62000.00      30.511     -67.608     -37.097  473.198462   2.95 0.429 0.684 0.297 0.438     276.811     250.000       6.953    1 
-    630000       63000.00      22.869     -66.051     -43.182  483.330928   2.98 0.571 0.652 0.259 0.581     207.476     250.000       6.794    1 
-    640000       64000.00      32.650     -58.149     -25.499  486.399656   3.00 0.357 0.643 0.185 0.532     296.213     250.000       7.015    1 
-    650000       65000.00      25.440     -54.818     -29.378  491.715969   2.93 0.286 0.714 0.250 0.528     230.807     250.000       6.906    1 
-    660000       66000.00      26.941     -61.770     -34.829  499.195443   3.02 0.357 0.773 0.335 1.014     244.422     250.000       6.601    1 
-    670000       67000.00      30.266     -57.603     -27.337  507.198639   2.62 0.429 0.684 0.304 0.483     274.585     250.000       6.766    1 
-    680000       68000.00      31.937     -59.316     -27.379  509.403654   3.07 0.357 0.722 0.331 0.455     289.749     250.000       6.861    1 
-    690000       69000.00      22.972     -62.725     -39.753  516.293330   2.68 0.429 0.714 0.242 0.585     208.416     250.000       6.855    1 
-    700000       70000.00      25.862     -56.739     -30.877  540.416233   4.69 0.357 0.667 0.206 0.743     234.631     250.000       7.261    1 
-    710000       71000.00      25.462     -49.694     -24.232  581.921561   4.57 0.357 0.667 0.236 0.525     231.001     260.000       7.211    1 
-    720000       72000.00      30.058     -45.629     -15.571  590.164302   4.21 0.357 0.667 0.270 0.705     272.703     260.000       7.247    1 
-    730000       73000.00      23.575     -45.628     -22.052  595.760262   4.65 0.286 0.692 0.224 0.517     213.889     260.000       7.354    1 
-    740000       74000.00      25.048     -48.410     -23.362  634.384385   4.78 0.357 0.583 0.212 0.448     227.248     260.000       7.047    1 
-    750000       75000.00      28.569     -49.496     -20.927  637.261644   3.96 0.286 0.636 0.174 0.378     259.188     260.000       7.421    1 
-    760000       76000.00      23.293     -50.635     -27.342  643.118484   3.65 0.214 0.786 0.286 0.626     211.323     260.000       6.986    1 
-    770000       77000.00      22.337     -48.512     -26.175  643.919196   4.23 0.214 0.700 0.209 0.547     202.652     260.000       7.352    1 
-    780000       78000.00      30.808     -53.823     -23.014  651.792398   4.06 0.357 0.706 0.281 0.721     279.510     260.000       6.902    1 
-    790000       79000.00      34.871     -52.817     -17.945  651.652609   3.77 0.143 0.846 0.273 1.100     316.369     260.000       7.191    1 
-    800000       80000.00      25.660     -52.530     -26.870  655.415272   4.00 0.286 0.750 0.287 0.614     232.798     260.000       6.983    1 
-    810000       81000.00      33.428     -42.725      -9.297  690.196488   4.76 0.143 0.750 0.312 0.643     303.274     270.000       6.811    1 
-    820000       82000.00      26.734     -47.354     -20.621  698.973502   4.32 0.143 0.778 0.283 0.737     242.540     270.000       7.163    1 
-    830000       83000.00      30.653     -49.545     -18.892  709.470692   4.86 0.286 0.667 0.280 0.728     278.103     270.000       6.870    1 
-    840000       84000.00      28.581     -40.724     -12.143  711.863990   5.04 0.286 0.692 0.371 0.827     259.302     270.000       6.886    1 
-    850000       85000.00      36.457     -50.337     -13.880  715.561028   4.80 0.214 0.727 0.277 0.842     330.757     270.000       6.834    1 
-    860000       86000.00      31.225     -45.607     -14.383  723.033355   4.92 0.286 0.714 0.312 1.076     283.286     270.000       6.417    1 
-    870000       87000.00      31.182     -52.250     -21.068  727.159612   4.51 0.286 0.714 0.250 0.912     282.896     270.000       6.722    1 
-    880000       88000.00      28.747     -46.202     -17.455  728.147191   5.19 0.357 0.706 0.305 0.678     260.812     270.000       6.968    1 
-    890000       89000.00      25.031     -53.644     -28.613  739.343787   4.82 0.286 0.636 0.269 0.315     227.095     270.000       7.021    1 
-    900000       90000.00      33.180     -45.470     -12.290  763.874216   6.04 0.286 0.692 0.241 0.994     301.027     270.000       6.873    1 
-    910000       91000.00      32.928     -49.488     -16.560  747.226374   4.97 0.214 0.750 0.307 0.863     298.738     260.000       6.804    1 
-    920000       92000.00      32.319     -46.814     -14.495  749.121420   5.53 0.429 0.625 0.290 0.879     293.213     260.000       6.569    1 
-    930000       93000.00      26.203     -48.773     -22.570  766.061956   4.94 0.357 0.583 0.330 0.887     237.732     260.000       6.821    1 
-    940000       94000.00      24.438     -51.547     -27.110  781.195322   3.77 0.286 0.667 0.273 0.412     221.711     260.000       7.130    1 
-    950000       95000.00      30.108     -51.963     -21.855  789.647699   3.80 0.286 0.778 0.356 0.659     273.155     260.000       6.637    1 
-    960000       96000.00      34.270     -49.663     -15.394  789.859942   4.77 0.286 0.667 0.246 0.653     310.912     260.000       7.103    1 
-    970000       97000.00      30.481     -54.745     -24.263  797.574904   4.49 0.286 0.636 0.231 0.811     276.543     260.000       7.123    1 
-    980000       98000.00      27.084     -58.609     -31.525  801.212296   5.14 0.571 0.529 0.313 0.850     245.720     260.000       6.635    1 
-    990000       99000.00      21.636     -45.563     -23.927  810.488664   5.79 0.071 0.900 0.341 0.383     196.291     260.000       6.828    1 
-   1000000      100000.00      25.575     -51.918     -26.344  809.784561   4.49 0.286 0.667 0.364 0.395     232.027     260.000       6.771    1 
+     10000        1000.00      29.220     -40.566     -11.346   23.564182   3.33 0.357 0.643 0.279 0.221     265.102     260.000       6.618    1 
+     20000        2000.00      28.240     -48.561     -20.320   33.270752   4.32 0.286 0.778 0.285 0.590     256.212     260.000       6.296    1 
+     30000        3000.00      23.495     -53.289     -29.794   40.102880   4.13 0.286 0.765 0.380 0.449     213.159     260.000       6.005    1 
+     40000        4000.00      36.711     -54.599     -17.888   46.865966   4.01 0.286 0.789 0.354 0.615     333.064     260.000       6.272    1 
+     50000        5000.00      31.497     -50.414     -18.917   47.546192   3.74 0.286 0.750 0.412 0.932     285.758     260.000       6.369    1 
+     60000        6000.00      29.975     -46.613     -16.638   54.346154   4.09 0.286 0.750 0.256 0.322     271.949     260.000       6.078    1 
+     70000        7000.00      25.233     -39.548     -14.315   69.255199   4.82 0.143 0.867 0.291 0.643     228.925     260.000       6.347    1 
+     80000        8000.00      31.063     -50.242     -19.179   73.160494   3.39 0.214 0.833 0.381 0.559     281.815     260.000       6.336    1 
+     90000        9000.00      29.917     -46.892     -16.975   76.223985   2.97 0.357 0.545 0.360 0.354     271.424     260.000       6.655    1 
+    100000       10000.00      31.552     -64.854     -33.302   86.123716   2.35 0.500 0.632 0.301 0.938     286.254     260.000       6.867    1 
+    110000       11000.00      28.967     -59.917     -30.950   74.955220   2.41 0.429 0.739 0.348 0.531     262.800     250.000       6.317    1 
+    120000       12000.00      25.979     -60.617     -34.638   76.258294   3.32 0.357 0.688 0.298 0.938     235.697     250.000       6.823    1 
+    130000       13000.00      26.425     -46.182     -19.757   78.408468   2.26 0.357 0.615 0.332 0.540     239.740     250.000       6.797    1 
+    140000       14000.00      28.469     -58.300     -29.831   86.679901   2.86 0.429 0.667 0.333 1.603     258.284     250.000       6.537    1 
+    150000       15000.00      24.514     -64.070     -39.556   88.153189   2.60 0.429 0.667 0.341 0.744     222.402     250.000       6.440    1 
+    160000       16000.00      24.811     -63.909     -39.099   91.451789   3.12 0.286 0.750 0.338 1.080     225.095     250.000       6.864    1 
+    170000       17000.00      23.146     -53.820     -30.673  100.211771   2.34 0.286 0.765 0.281 0.524     209.996     250.000       6.463    1 
+    180000       18000.00      28.520     -48.182     -19.662  100.791569   3.02 0.357 0.615 0.346 0.316     258.750     250.000       6.667    1 
+    190000       19000.00      29.548     -56.648     -27.101  100.986869   2.88 0.357 0.688 0.256 0.458     268.072     250.000       6.539    1 
+    200000       20000.00      29.329     -60.034     -30.705  102.690337   3.07 0.357 0.688 0.301 0.673     266.091     250.000       6.521    1 
+    210000       21000.00      28.473     -63.010     -34.537  117.098462   3.53 0.357 0.783 0.328 0.576     258.321     250.000       6.100    1 
+    220000       22000.00      36.818     -59.014     -22.196  138.731658   4.11 0.286 0.765 0.278 0.602     334.033     250.000       6.816    1 
+    230000       23000.00      24.509     -57.394     -32.885  141.852092   3.42 0.286 0.692 0.220 0.346     222.359     250.000       6.843    1 
+    240000       24000.00      21.317     -65.087     -43.770  148.630860   3.56 0.357 0.706 0.283 0.570     193.397     250.000       6.754    1 
+    250000       25000.00      25.578     -58.073     -32.495  150.015138   3.75 0.214 0.812 0.298 0.431     232.058     250.000       6.422    1 
+    260000       26000.00      24.400     -59.889     -35.489  157.811256   3.46 0.214 0.824 0.291 0.642     221.370     250.000       6.821    1 
+    270000       27000.00      26.579     -55.906     -29.327  170.341246   4.39 0.143 0.857 0.282 0.789     241.141     250.000       6.461    1 
+    280000       28000.00      25.949     -49.105     -23.156  172.257748   4.33 0.143 0.846 0.231 1.652     235.423     250.000       6.842    1 
+    290000       29000.00      22.825     -58.933     -36.108  183.440335   3.67 0.214 0.800 0.264 0.544     207.081     250.000       7.018    1 
+    300000       30000.00      28.621     -54.866     -26.245  187.227597   3.62 0.071 0.923 0.318 0.460     259.663     250.000       6.481    1 
+    310000       31000.00      33.737     -53.190     -19.453  187.918334   4.33 0.143 0.867 0.236 0.434     306.082     250.000       6.862    1 
+    320000       32000.00      21.455     -65.559     -44.104  193.466349   4.02 0.286 0.765 0.289 0.653     194.649     250.000       6.793    1 
+    330000       33000.00      23.642     -57.566     -33.924  201.737214   3.64 0.357 0.667 0.306 0.456     214.490     250.000       6.741    1 
+    340000       34000.00      26.696     -49.601     -22.905  207.172754   3.89 0.071 0.923 0.329 0.681     242.204     250.000       6.858    1 
+    350000       35000.00      25.680     -64.977     -39.296  220.340462   4.02 0.214 0.812 0.321 1.153     232.987     250.000       6.766    1 
+    360000       36000.00      19.744     -54.988     -35.243  228.565184   3.34 0.286 0.750 0.264 0.534     179.131     250.000       6.561    1 
+    370000       37000.00      34.847     -64.067     -29.221  228.481426   3.58 0.143 0.875 0.330 0.731     316.147     250.000       6.765    1 
+    380000       38000.00      25.388     -52.108     -26.720  237.226481   3.29 0.286 0.667 0.193 0.591     230.332     250.000       6.749    1 
+    390000       39000.00      20.474     -60.622     -40.148  243.395203   4.50 0.143 0.867 0.261 0.534     185.751     250.000       6.580    1 
+    400000       40000.00      24.299     -64.880     -40.582  244.124469   3.25 0.429 0.684 0.313 0.338     220.451     250.000       6.495    1 
+    410000       41000.00      22.369     -61.084     -38.715  253.154401   2.62 0.500 0.562 0.270 0.551     202.944     250.000       6.507    1 
+    420000       42000.00      27.635     -56.733     -29.098  256.149118   2.45 0.357 0.706 0.313 0.694     250.720     250.000       6.537    1 
+    430000       43000.00      29.085     -59.634     -30.549  260.204345   3.31 0.429 0.647 0.262 0.521     263.872     250.000       6.599    1 
+    440000       44000.00      26.197     -61.509     -35.312  262.676142   2.48 0.500 0.632 0.287 0.433     237.672     250.000       6.473    1 
+    450000       45000.00      23.669     -60.182     -36.513  265.250979   2.89 0.429 0.571 0.295 0.646     214.734     250.000       6.677    1 
+    460000       46000.00      26.606     -66.528     -39.922  274.899457   2.75 0.500 0.667 0.301 1.250     241.382     250.000       6.546    1 
+    470000       47000.00      31.802     -60.694     -28.893  278.338325   2.81 0.500 0.667 0.297 0.686     288.520     250.000       6.612    1 
+    480000       48000.00      31.275     -62.023     -30.748  278.749726   2.45 0.643 0.550 0.323 0.510     283.742     250.000       6.481    1 
+    490000       49000.00      22.007     -53.107     -31.101  278.773648   2.31 0.357 0.706 0.337 0.471     199.654     250.000       6.689    1 
+    500000       50000.00      29.957     -56.179     -26.223  284.634041   3.41 0.500 0.682 0.343 0.468     271.782     250.000       6.398    1 
+    510000       51000.00      28.681     -59.184     -30.503  308.273232   2.72 0.429 0.684 0.301 0.326     260.212     260.000       6.457    1 
+    520000       52000.00      25.486     -59.440     -33.954  312.814461   2.91 0.500 0.650 0.266 0.670     231.222     260.000       6.670    1 
+    530000       53000.00      31.549     -63.586     -32.037  315.107317   2.98 0.357 0.688 0.267 0.530     286.227     260.000       6.625    1 
+    540000       54000.00      23.762     -58.231     -34.469  328.880818   2.88 0.500 0.696 0.322 0.763     215.577     260.000       6.500    1 
+    550000       55000.00      31.087     -57.371     -26.284  330.791989   3.08 0.357 0.688 0.253 0.497     282.037     260.000       6.718    1 
+    560000       56000.00      24.771     -57.318     -32.547  336.372875   2.75 0.429 0.684 0.313 0.447     224.733     260.000       6.481    1 
+    570000       57000.00      32.428     -57.635     -25.207  337.387859   2.95 0.500 0.632 0.390 0.897     294.207     260.000       6.671    1 
+    580000       58000.00      29.125     -53.515     -24.390  342.122136   2.67 0.571 0.636 0.308 0.420     264.235     260.000       6.596    1 
+    590000       59000.00      28.245     -55.516     -27.271  348.933728   3.50 0.429 0.667 0.293 1.067     256.251     260.000       6.691    1 
+    600000       60000.00      27.514     -60.484     -32.970  350.787274   3.54 0.500 0.696 0.318 0.741     249.622     260.000       6.269    1 
+    610000       61000.00      28.492     -53.684     -25.192  346.072657   2.92 0.500 0.588 0.374 0.657     258.494     250.000       6.566    1 
+    620000       62000.00      28.514     -63.391     -34.877  358.013186   2.93 0.500 0.682 0.267 0.727     258.692     250.000       6.762    1 
+    630000       63000.00      22.027     -69.776     -47.748  362.151953   2.59 0.429 0.727 0.302 0.622     199.844     250.000       6.652    1 
+    640000       64000.00      34.773     -59.466     -24.693  362.761398   3.06 0.500 0.682 0.318 0.384     315.477     250.000       6.496    1 
+    650000       65000.00      25.615     -61.591     -35.976  365.635830   2.89 0.643 0.550 0.305 0.388     232.397     250.000       6.517    1 
+    660000       66000.00      20.061     -62.580     -42.519  366.531587   2.55 0.429 0.667 0.293 0.296     182.000     250.000       6.608    1 
+    670000       67000.00      25.066     -58.996     -33.930  366.732712   3.12 0.500 0.667 0.273 0.862     227.416     250.000       6.563    1 
+    680000       68000.00      24.705     -56.828     -32.123  369.187522   2.29 0.429 0.667 0.346 0.962     224.136     250.000       6.534    1 
+    690000       69000.00      26.418     -58.830     -32.413  373.540279   2.72 0.571 0.556 0.242 0.434     239.674     250.000       6.607    1 
+    700000       70000.00      27.486     -60.837     -33.351  374.592143   2.20 0.357 0.737 0.280 0.448     249.367     250.000       6.679    1 
+    710000       71000.00      33.511     -56.085     -22.573  421.028897   2.71 0.357 0.667 0.327 0.498     304.031     270.000       6.675    1 
+    720000       72000.00      34.568     -52.876     -18.309  451.520656   3.08 0.500 0.650 0.336 0.844     313.614     270.000       6.357    1 
+    730000       73000.00      27.415     -55.437     -28.022  453.040615   2.73 0.500 0.588 0.281 0.646     248.727     270.000       6.489    1 
+    740000       74000.00      28.580     -50.768     -22.188  464.468736   2.60 0.429 0.538 0.238 0.587     259.289     270.000       6.914    1 
+    750000       75000.00      26.223     -43.662     -17.439  475.209396   2.62 0.357 0.667 0.270 0.808     237.910     270.000       6.918    1 
+    760000       76000.00      32.910     -54.249     -21.339  495.830287   3.76 0.429 0.667 0.306 0.569     298.574     270.000       6.512    1 
+    770000       77000.00      29.386     -40.538     -11.152  508.343778   3.42 0.286 0.636 0.289 0.651     266.604     270.000       6.679    1 
+    780000       78000.00      34.586     -52.312     -17.726  508.412484   2.85 0.500 0.611 0.215 0.512     313.786     270.000       6.792    1 
+    790000       79000.00      34.018     -45.827     -11.809  516.099010   2.29 0.286 0.714 0.286 0.704     308.629     270.000       6.945    1 
+    800000       80000.00      25.850     -42.098     -16.248  519.307995   3.15 0.357 0.688 0.278 0.574     234.528     270.000       6.659    1 
+    810000       81000.00      35.933     -56.470     -20.537  500.162699   3.49 0.357 0.667 0.288 0.620     325.999     260.000       6.503    1 
+    820000       82000.00      35.434     -60.461     -25.027  508.127437   3.61 0.500 0.632 0.337 0.637     321.475     260.000       6.430    1 
+    830000       83000.00      29.204     -61.946     -32.742  513.908370   2.72 0.429 0.727 0.331 0.642     264.953     260.000       6.690    1 
+    840000       84000.00      23.322     -58.832     -35.510  514.586682   2.40 0.571 0.500 0.284 0.948     211.586     260.000       6.484    1 
+    850000       85000.00      26.561     -51.545     -24.984  514.202737   3.02 0.286 0.692 0.322 1.045     240.975     260.000       7.251    1 
+    860000       86000.00      29.263     -53.001     -23.738  519.413229   3.57 0.357 0.667 0.276 0.882     265.489     260.000       6.389    1 
+    870000       87000.00      28.601     -53.597     -24.996  521.929594   3.25 0.357 0.643 0.224 1.006     259.482     260.000       6.653    1 
+    880000       88000.00      32.726     -53.696     -20.970  532.681278   3.05 0.286 0.750 0.341 0.830     296.904     260.000       6.859    1 
+    890000       89000.00      33.762     -59.216     -25.454  541.553402   2.40 0.500 0.562 0.273 0.511     306.307     260.000       6.360    1 
+    900000       90000.00      31.571     -57.917     -26.346  542.693412   2.64 0.357 0.667 0.321 0.812     286.428     260.000       6.598    1 
+    910000       91000.00      28.287     -59.994     -31.707  518.347427   3.17 0.286 0.789 0.321 0.829     256.631     250.000       6.302    1 
+    920000       92000.00      25.124     -58.669     -33.545  522.285214   3.52 0.286 0.765 0.275 0.746     227.936     250.000       6.589    1 
+    930000       93000.00      25.776     -56.898     -31.122  525.489551   3.09 0.500 0.650 0.341 0.934     233.852     250.000       6.407    1 
+    940000       94000.00      28.838     -56.179     -27.342  527.204666   3.44 0.357 0.737 0.337 1.192     261.630     250.000       6.237    1 
+    950000       95000.00      28.141     -63.111     -34.970  527.679533   3.71 0.357 0.750 0.332 0.526     255.307     250.000       6.315    1 
+    960000       96000.00      25.767     -59.937     -34.170  527.896236   3.15 0.429 0.600 0.330 0.886     233.771     250.000       6.442    1 
+    970000       97000.00      22.763     -64.055     -41.292  550.032643   3.76 0.357 0.737 0.313 0.876     206.516     250.000       6.481    1 
+    980000       98000.00      27.338     -56.443     -29.106  553.339776   2.91 0.286 0.714 0.286 0.998     248.021     250.000       6.596    1 
+    990000       99000.00      33.852     -50.463     -16.611  560.046701   3.32 0.286 0.765 0.326 0.730     307.119     250.000       6.301    1 
+   1000000      100000.00      27.987     -59.530     -31.543  563.933138   3.90 0.286 0.750 0.276 1.012     253.913     250.000       6.669    1 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB002.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB002.stat
index beb9470..bad6b56 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB002.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB002.stat
@@ -1,101 +1,101 @@
          0           0.00      30.100      24.969      55.069    0.000000  12.87 0.000   NaN   NaN 0.709     273.080     270.000      15.552    2 
-     10000        1000.00      33.231     -18.710      14.521   39.022304   4.89 0.286 0.636 0.376 1.206     301.485     270.000       8.082    2 
-     20000        2000.00      28.831     -52.844     -24.012   45.333760   4.62 0.286 0.765 0.372 0.561     261.574     270.000       6.683    2 
-     30000        3000.00      27.609     -42.332     -14.724   52.514748   4.76 0.357 0.615 0.308 0.815     250.481     270.000       7.040    2 
-     40000        4000.00      27.139     -48.781     -21.642   73.940723   5.11 0.143 0.867 0.391 1.106     246.223     270.000       6.554    2 
-     50000        5000.00      31.141     -47.195     -16.054   85.446640   6.12 0.143 0.857 0.331 0.712     282.529     270.000       6.806    2 
-     60000        6000.00      29.609     -48.895     -19.286   91.704718   3.93 0.429 0.571 0.328 0.781     268.628     270.000       6.932    2 
-     70000        7000.00      24.159     -48.049     -23.890  105.666006   4.97 0.214 0.750 0.311 0.360     219.186     270.000       6.807    2 
-     80000        8000.00      27.632     -51.688     -24.056  119.142686   4.26 0.357 0.706 0.353 0.809     250.692     270.000       6.584    2 
-     90000        9000.00      30.272     -46.251     -15.979  119.176498   4.86 0.143 0.818 0.293 0.680     274.640     270.000       7.201    2 
-    100000       10000.00      30.563     -44.207     -13.644  120.788304   4.77 0.143 0.857 0.367 0.718     277.285     270.000       6.952    2 
-    110000       11000.00      26.114     -58.755     -32.641  120.051125   4.65 0.214 0.727 0.364 0.729     236.916     260.000       6.579    2 
-    120000       12000.00      24.303     -53.849     -29.546  123.235002   4.68 0.214 0.786 0.354 0.871     220.491     260.000       6.628    2 
-    130000       13000.00      28.429     -55.451     -27.022  135.061694   4.18 0.286 0.733 0.361 0.628     257.924     260.000       6.507    2 
-    140000       14000.00      32.257     -54.465     -22.208  140.591479   4.52 0.429 0.647 0.286 0.736     292.656     260.000       6.631    2 
-    150000       15000.00      34.691     -50.202     -15.511  153.022561   3.83 0.357 0.643 0.266 0.840     314.734     260.000       6.550    2 
-    160000       16000.00      27.038     -61.419     -34.381  167.198595   3.98 0.286 0.714 0.269 0.655     245.303     260.000       6.635    2 
-    170000       17000.00      31.602     -56.301     -24.700  174.913877   4.05 0.429 0.700 0.295 0.673     286.705     260.000       6.629    2 
-    180000       18000.00      28.152     -52.580     -24.428  175.988646   4.51 0.214 0.769 0.280 0.333     255.406     260.000       7.121    2 
-    190000       19000.00      24.478     -51.117     -26.638  189.380535   4.45 0.143 0.867 0.315 0.636     222.080     260.000       6.374    2 
-    200000       20000.00      26.454     -54.502     -28.049  201.045101   4.04 0.071 0.917 0.322 0.550     240.001     260.000       6.738    2 
-    210000       21000.00      26.364     -59.038     -32.674  202.379473   4.20 0.286 0.714 0.302 0.248     239.189     260.000       6.614    2 
-    220000       22000.00      31.023     -57.198     -26.175  208.949656   3.84 0.286 0.692 0.262 0.560     281.455     260.000       6.739    2 
-    230000       23000.00      29.962     -51.812     -21.850  214.660367   4.17 0.286 0.750 0.315 1.120     271.827     260.000       6.476    2 
-    240000       24000.00      23.034     -53.976     -30.941  216.745336   3.99 0.286 0.733 0.306 0.389     208.981     260.000       6.850    2 
-    250000       25000.00      27.536     -58.425     -30.888  226.884326   4.44 0.357 0.583 0.277 0.754     249.823     260.000       7.099    2 
-    260000       26000.00      27.294     -50.397     -23.103  236.927813   3.79 0.357 0.688 0.327 0.691     247.624     260.000       6.509    2 
-    270000       27000.00      27.472     -52.151     -24.679  239.791689   4.53 0.214 0.786 0.312 0.695     249.242     260.000       6.407    2 
-    280000       28000.00      30.888     -50.033     -19.144  246.867834   4.31 0.286 0.750 0.284 0.681     280.235     260.000       6.946    2 
-    290000       29000.00      34.849     -52.955     -18.106  251.181845   3.94 0.357 0.643 0.302 0.536     316.166     260.000       6.682    2 
-    300000       30000.00      31.907     -60.502     -28.595  253.005537   4.62 0.286 0.765 0.297 0.474     289.480     260.000       6.563    2 
-    310000       31000.00      29.529     -43.861     -14.332  310.085546   4.56 0.143 0.818 0.360 0.987     267.902     280.000       6.891    2 
-    320000       32000.00      26.586     -41.458     -14.872  340.822243   4.59 0.143 0.846 0.343 0.631     241.200     280.000       6.732    2 
-    330000       33000.00      28.228     -44.831     -16.603  356.518557   4.31 0.214 0.769 0.350 1.362     256.098     280.000       7.026    2 
-    340000       34000.00      28.658     -37.545      -8.887  357.533697   3.68 0.071 0.857 0.312 0.421     260.001     280.000       7.318    2 
-    350000       35000.00      25.282     -40.424     -15.142  373.104493   4.19 0.357 0.545 0.293 1.220     229.369     280.000       7.010    2 
-    360000       36000.00      22.032     -31.688      -9.656  391.142645   3.98 0.286 0.636 0.306 0.727     199.883     280.000       6.821    2 
-    370000       37000.00      32.418     -49.102     -16.684  403.253635   4.34 0.286 0.636 0.256 1.419     294.110     280.000       7.086    2 
-    380000       38000.00      30.904     -46.419     -15.516  407.389182   3.78 0.143 0.833 0.348 0.762     280.374     280.000       7.120    2 
-    390000       39000.00      30.730     -48.632     -17.902  409.714083   5.23 0.071 0.917 0.273 1.001     278.799     280.000       6.887    2 
-    400000       40000.00      27.425     -46.975     -19.550  412.324425   6.01 0.000 1.000 0.305 0.849     248.811     280.000       6.896    2 
-    410000       41000.00      32.292     -42.728     -10.436  444.331733   4.40 0.143 0.800 0.345 0.631     292.974     290.000       6.947    2 
-    420000       42000.00      29.254     -43.206     -13.952  457.932336   3.99 0.286 0.692 0.329 0.606     265.405     290.000       6.837    2 
-    430000       43000.00      35.864     -50.986     -15.122  458.325840   4.39 0.214 0.786 0.292 1.405     325.374     290.000       6.920    2 
-    440000       44000.00      29.838     -41.406     -11.568  470.803708   4.77 0.143 0.833 0.261 0.566     270.702     290.000       7.045    2 
-    450000       45000.00      33.600     -52.856     -19.256  479.659768   4.36 0.214 0.769 0.336 0.671     304.837     290.000       6.825    2 
-    460000       46000.00      31.922     -34.900      -2.978  493.123288   3.66 0.357 0.706 0.251 0.805     289.615     290.000       6.865    2 
-    470000       47000.00      26.548     -25.092       1.456  498.009219   6.04 0.214 0.824 0.316 0.637     240.858     290.000       6.737    2 
-    480000       48000.00      26.455     -32.818      -6.363  513.385808   5.82 0.214 0.700 0.277 0.380     240.015     290.000       7.031    2 
-    490000       49000.00      34.915     -44.453      -9.538  518.516144   6.37 0.143 0.846 0.364 0.585     316.766     290.000       6.524    2 
-    500000       50000.00      34.834     -39.956      -5.122  532.217062   5.51 0.143 0.846 0.262 0.689     316.036     290.000       7.066    2 
-    510000       51000.00      38.609     -30.709       7.901  624.634210   4.42 0.214 0.727 0.364 0.396     350.285     320.000       7.277    2 
-    520000       52000.00      44.117     -23.184      20.933  667.474228   4.08 0.143 0.714 0.416 1.074     400.254     320.000       7.694    2 
-    530000       53000.00      35.744     -32.699       3.046  674.502457   4.06 0.214 0.750 0.348 0.958     324.290     320.000       7.073    2 
-    540000       54000.00      35.078     -14.479      20.599  685.940744   4.34 0.143 0.778 0.308 0.863     318.244     320.000       7.448    2 
-    550000       55000.00      33.383     -26.333       7.049  709.972625   4.17 0.143 0.714 0.253 1.061     302.864     320.000       8.492    2 
-    560000       56000.00      32.958     -20.731      12.227  723.670235   4.56 0.000 1.000 0.545 0.516     299.015     320.000       8.414    2 
-    570000       57000.00      35.113     -22.022      13.091  740.330542   4.98 0.214 0.625 0.358 0.638     318.560     320.000       7.578    2 
-    580000       58000.00      29.277     -17.929      11.348  765.733694   4.34 0.214 0.500 0.311 0.800     265.619     320.000       8.394    2 
-    590000       59000.00      33.079     -27.590       5.489  785.879988   4.04 0.214 0.625 0.403 0.950     300.110     320.000       7.631    2 
-    600000       60000.00      36.681     -28.807       7.874  806.654644   4.95 0.214 0.667 0.449 0.856     332.792     320.000       7.050    2 
-    610000       61000.00      30.575     -19.287      11.288  916.711207   4.66 0.286 0.333 0.462 0.642     277.394     350.000       7.862    2 
-    620000       62000.00      44.085     -28.505      15.580  944.443909   4.19 0.143 0.500 0.420 0.731     399.964     350.000       7.532    2 
-    630000       63000.00      28.764     -14.861      13.903  972.340544   5.39 0.143 0.333 0.561 0.686     260.965     350.000       8.613    2 
-    640000       64000.00      31.327      -9.515      21.813 1004.987484   5.31 0.071 0.750 0.455 1.335     284.217     350.000       8.334    2 
-    650000       65000.00      35.851      -7.346      28.506 1109.189339   5.71 0.071 0.500 0.318 1.807     325.263     350.000       9.614    2 
-    660000       66000.00      35.400     -19.969      15.431 1144.824571   6.09 0.143 0.714 0.435 0.603     321.166     350.000       8.539    2 
-    670000       67000.00      40.127      -6.321      33.806 1159.540174   5.21 0.000 1.000 0.197 0.877     364.052     350.000       8.912    2 
-    680000       68000.00      41.861     -19.271      22.590 1208.414983   5.42 0.071 0.833 0.394 1.394     379.785     350.000       8.014    2 
-    690000       69000.00      34.881      -8.775      26.106 1245.722593   6.23 0.000 1.000 0.136 0.515     316.455     350.000      10.508    2 
-    700000       70000.00      40.197      -4.672      35.525 1263.224806   6.08 0.000 1.000 0.409 0.496     364.685     350.000      10.398    2 
-    710000       71000.00      54.150      -2.236      51.914 1481.795872  11.41 0.000 1.000 0.136 0.963     491.276     400.000      14.742    2 
-    720000       72000.00      39.127       1.822      40.949 1532.092137   6.77 0.000   NaN   NaN 0.763     354.981     400.000      11.352    2 
-    730000       73000.00      50.226      11.267      61.493 1555.974965   6.75 0.000 1.000 0.409 0.987     455.681     400.000       9.925    2 
-    740000       74000.00      49.423      -4.187      45.236 1575.844045   5.48 0.000   NaN   NaN 0.605     448.389     400.000      10.051    2 
-    750000       75000.00      40.757      -2.368      38.389 1601.183840   5.27 0.143 0.714 0.494 0.935     369.769     400.000       8.638    2 
-    760000       76000.00      33.672       5.968      39.640 1623.587021   6.49 0.071 0.667 0.485 1.102     305.488     400.000       7.175    2 
-    770000       77000.00      54.139       3.081      57.220 1657.907681   6.09 0.143 0.714 0.247 0.716     491.176     400.000       8.781    2 
-    780000       78000.00      52.924       7.379      60.302 1704.231627   8.29 0.071 0.750 0.273 0.926     480.150     400.000       9.159    2 
-    790000       79000.00      32.400      -9.446      22.955 1757.941255   6.03 0.071 0.833 0.417 0.920     293.951     400.000       9.164    2 
-    800000       80000.00      41.844     -12.038      29.806 1792.902219   5.06 0.071 0.500 0.477 0.707     379.632     400.000       9.316    2 
-    810000       81000.00      41.016     -11.802      29.214 1776.096498   9.70 0.000 1.000 0.136 1.440     372.117     390.000      12.861    2 
-    820000       82000.00      38.776      -5.688      33.087 1813.566894   6.40 0.143 0.333 0.288 0.424     351.793     390.000       8.673    2 
-    830000       83000.00      40.867     -15.598      25.269 1829.764876   4.86 0.143 0.600 0.318 0.825     370.763     390.000       7.696    2 
-    840000       84000.00      45.324     -10.902      34.422 1870.628217   4.79 0.214 0.571 0.474 1.255     411.199     390.000       8.931    2 
-    850000       85000.00      46.117      -0.134      45.983 1918.325556  10.48 0.000   NaN   NaN 1.371     418.400     390.000      14.556    2 
-    860000       86000.00      42.588     -10.681      31.907 1957.013994   5.96 0.071 0.000 0.591 0.583     386.382     390.000       9.041    2 
-    870000       87000.00      37.211      -9.451      27.761 2042.015342   5.82 0.000 1.000 0.464 0.747     337.602     390.000       7.518    2 
-    880000       88000.00      44.276     -24.473      19.803 2066.235340   6.54 0.000 1.000 0.464 0.715     401.693     390.000       7.974    2 
-    890000       89000.00      31.304      -9.230      22.074 2125.571215   5.41 0.071 0.000 0.136 0.613     284.008     390.000       8.994    2 
-    900000       90000.00      53.743     -18.663      35.080 2167.683352   4.27 0.143 0.778 0.485 1.020     487.584     390.000       7.447    2 
-    910000       91000.00      48.985      -6.392      42.593 2151.891996   7.09 0.000 1.000 0.227 0.647     444.417     380.000      11.287    2 
-    920000       92000.00      45.911      -0.078      45.833 2186.127828   9.14 0.071 0.500 0.159 0.942     416.524     380.000      11.643    2 
-    930000       93000.00      38.271       0.888      39.159 2257.685791   6.92 0.000 1.000 0.303 0.345     347.215     380.000       9.357    2 
-    940000       94000.00      36.223      -1.922      34.301 2296.540420   7.88 0.000 1.000 0.136 0.541     328.631     380.000      11.339    2 
-    950000       95000.00      32.491      -7.721      24.770 2329.474564   7.28 0.071 0.000 0.136 1.199     294.776     380.000      11.632    2 
-    960000       96000.00      40.728      -9.781      30.947 2384.479997   6.84 0.000 1.000 0.318 0.603     369.505     380.000       9.888    2 
-    970000       97000.00      45.245      -1.261      43.983 2403.803205   6.94 0.071 0.667 0.197 0.788     410.484     380.000       9.398    2 
-    980000       98000.00      35.746      -7.654      28.092 2463.961249   7.61 0.000 1.000 0.273 1.000     324.310     380.000      10.662    2 
-    990000       99000.00      51.051     -19.814      31.237 2497.410089   6.00 0.000 1.000 0.295 0.942     463.163     380.000       8.688    2 
-   1000000      100000.00      42.705      -0.889      41.816 2544.796911   8.79 0.000   NaN   NaN 0.760     387.441     380.000      13.498    2 
+     10000        1000.00      25.127     -33.431      -8.304   32.648777   6.03 0.214 0.500 0.167 1.350     227.967     270.000      10.392    2 
+     20000        2000.00      26.150     -43.945     -17.794   48.283277   7.43 0.429 0.455 0.178 0.735     237.250     270.000      10.340    2 
+     30000        3000.00      28.879     -49.917     -21.038   53.631673   3.07 0.357 0.444 0.288 0.626     262.009     270.000       6.926    2 
+     40000        4000.00      28.658     -48.577     -19.919   57.831252   4.39 0.286 0.692 0.318 0.502     260.000     270.000       6.616    2 
+     50000        5000.00      30.256     -48.625     -18.369   63.435595   2.70 0.286 0.636 0.219 0.516     274.499     270.000       6.714    2 
+     60000        6000.00      25.594     -47.632     -22.038   66.800671   2.54 0.286 0.692 0.301 0.332     232.202     270.000       6.718    2 
+     70000        7000.00      25.965     -57.733     -31.768   79.819650   3.34 0.286 0.692 0.294 0.829     235.567     270.000       6.646    2 
+     80000        8000.00      24.390     -53.529     -29.140   89.901708   2.90 0.357 0.643 0.338 0.490     221.275     270.000       6.705    2 
+     90000        9000.00      36.779     -56.314     -19.534   95.458807   2.90 0.429 0.647 0.267 0.581     333.681     270.000       6.765    2 
+    100000       10000.00      38.048     -50.811     -12.764  113.031152   3.58 0.429 0.538 0.241 0.818     345.190     270.000       6.893    2 
+    110000       11000.00      24.541     -57.724     -33.183  105.795505   2.07 0.571 0.429 0.273 0.796     222.651     260.000       6.716    2 
+    120000       12000.00      35.110     -56.891     -21.781  107.192669   2.40 0.500 0.588 0.297 0.650     318.540     260.000       6.557    2 
+    130000       13000.00      28.243     -57.606     -29.363  110.933802   3.14 0.571 0.579 0.275 0.538     256.236     260.000       6.508    2 
+    140000       14000.00      24.333     -61.422     -37.089  125.413609   2.58 0.571 0.500 0.244 0.972     220.758     260.000       6.647    2 
+    150000       15000.00      29.250     -57.143     -27.892  129.694857   3.32 0.429 0.625 0.261 0.473     265.373     260.000       6.919    2 
+    160000       16000.00      33.884     -55.274     -21.390  157.001706   2.38 0.357 0.688 0.310 0.911     307.409     260.000       6.653    2 
+    170000       17000.00      30.966     -61.331     -30.365  160.159530   1.81 0.714 0.524 0.236 0.435     280.939     260.000       6.582    2 
+    180000       18000.00      26.422     -49.917     -23.496  172.911599   2.05 0.500 0.417 0.223 0.518     239.710     260.000       6.470    2 
+    190000       19000.00      32.069     -59.245     -27.175  173.368271   2.02 0.571 0.529 0.310 0.659     290.950     260.000       6.188    2 
+    200000       20000.00      38.792     -56.100     -17.308  174.616115   3.55 0.500 0.632 0.333 1.860     351.938     260.000       7.036    2 
+    210000       21000.00      22.685     -51.256     -28.571  178.501053   1.82 0.571 0.467 0.282 0.437     205.814     260.000       6.712    2 
+    220000       22000.00      33.894     -61.124     -27.229  179.329774   2.12 0.571 0.579 0.268 0.465     307.508     260.000       6.540    2 
+    230000       23000.00      29.782     -66.743     -36.961  202.587765   1.91 0.500 0.533 0.288 0.359     270.201     260.000       6.484    2 
+    240000       24000.00      24.117     -57.196     -33.079  203.314938   2.00 0.643 0.471 0.225 0.414     218.803     260.000       6.562    2 
+    250000       25000.00      36.631     -48.297     -11.666  205.385143   3.23 0.357 0.583 0.193 0.303     332.332     260.000       7.117    2 
+    260000       26000.00      30.097     -59.643     -29.547  209.840483   3.07 0.571 0.556 0.306 0.828     273.052     260.000       6.731    2 
+    270000       27000.00      25.990     -56.853     -30.863  219.719494   3.25 0.500 0.611 0.316 1.058     235.793     260.000       6.556    2 
+    280000       28000.00      34.214     -56.968     -22.754  231.233254   2.57 0.429 0.600 0.312 0.853     310.406     260.000       6.717    2 
+    290000       29000.00      28.414     -45.921     -17.507  237.652256   2.89 0.500 0.500 0.211 0.612     257.784     260.000       6.863    2 
+    300000       30000.00      24.098     -43.090     -18.992  243.270709   1.76 0.571 0.429 0.221 0.432     218.631     260.000       7.108    2 
+    310000       31000.00      17.639     -54.758     -37.119  256.977891   2.96 0.571 0.529 0.246 0.717     160.028     260.000       6.816    2 
+    320000       32000.00      24.476     -48.343     -23.867  262.098949   3.72 0.500 0.533 0.267 1.020     222.061     260.000       7.099    2 
+    330000       33000.00      27.505     -59.477     -31.972  264.614054   2.68 0.500 0.500 0.273 0.800     249.537     260.000       6.649    2 
+    340000       34000.00      28.261     -57.869     -29.609  276.156361   2.72 0.500 0.500 0.247 0.520     256.394     260.000       6.527    2 
+    350000       35000.00      32.960     -64.335     -31.375  276.959574   2.80 0.429 0.667 0.270 0.879     299.026     260.000       6.549    2 
+    360000       36000.00      23.719     -58.877     -35.158  279.359095   2.86 0.500 0.500 0.279 0.643     215.195     260.000       6.571    2 
+    370000       37000.00      24.059     -62.103     -38.044  283.509248   3.18 0.571 0.600 0.268 1.172     218.274     260.000       6.410    2 
+    380000       38000.00      30.984     -56.871     -25.888  299.342914   2.81 0.571 0.556 0.240 0.636     281.100     260.000       6.538    2 
+    390000       39000.00      27.492     -58.200     -30.708  314.082804   2.60 0.571 0.619 0.307 0.435     249.419     260.000       6.562    2 
+    400000       40000.00      32.634     -57.470     -24.836  323.932028   2.77 0.500 0.562 0.210 0.617     296.074     260.000       6.737    2 
+    410000       41000.00      27.014     -49.874     -22.860  336.844511   1.77 0.714 0.444 0.321 0.333     245.085     260.000       6.670    2 
+    420000       42000.00      29.866     -58.213     -28.348  349.515178   2.00 0.571 0.467 0.297 0.347     270.957     260.000       6.393    2 
+    430000       43000.00      27.434     -53.985     -26.551  351.241404   4.00 0.357 0.688 0.270 0.419     248.894     260.000       6.613    2 
+    440000       44000.00      22.503     -56.216     -33.714  352.871142   1.99 0.643 0.471 0.275 0.745     204.157     260.000       6.524    2 
+    450000       45000.00      32.165     -51.290     -19.124  366.337075   1.83 0.429 0.455 0.231 0.404     291.821     260.000       7.031    2 
+    460000       46000.00      30.882     -58.300     -27.418  377.441132   2.50 0.571 0.500 0.230 0.734     280.176     260.000       6.907    2 
+    470000       47000.00      37.471     -53.112     -15.640  380.447820   2.86 0.500 0.611 0.247 0.601     339.958     260.000       6.794    2 
+    480000       48000.00      29.592     -49.501     -19.909  392.712922   3.76 0.429 0.684 0.273 0.729     268.470     260.000       6.556    2 
+    490000       49000.00      22.959     -59.770     -36.811  409.657338   2.62 0.571 0.385 0.248 0.829     208.296     260.000       6.869    2 
+    500000       50000.00      25.473     -59.576     -34.103  425.118835   2.86 0.500 0.611 0.278 0.596     231.104     260.000       6.511    2 
+    510000       51000.00      32.282     -58.293     -26.010  407.581142   2.95 0.500 0.650 0.327 0.439     292.882     250.000       6.314    2 
+    520000       52000.00      28.798     -59.608     -30.811  413.212303   2.43 0.500 0.588 0.281 0.635     261.267     250.000       6.643    2 
+    530000       53000.00      27.532     -53.980     -26.449  422.360898   2.56 0.571 0.429 0.247 0.614     249.781     250.000       6.469    2 
+    540000       54000.00      29.365     -67.529     -38.164  426.320929   2.67 0.357 0.643 0.224 1.031     266.416     250.000       6.659    2 
+    550000       55000.00      22.743     -57.680     -34.936  428.021612   2.94 0.429 0.571 0.286 1.083     206.339     250.000       6.567    2 
+    560000       56000.00      30.081     -61.779     -31.698  438.918985   2.01 0.500 0.533 0.264 0.592     272.914     250.000       6.563    2 
+    570000       57000.00      27.089     -57.481     -30.392  439.200611   2.77 0.500 0.533 0.291 0.660     245.769     250.000       6.744    2 
+    580000       58000.00      24.011     -57.406     -33.395  454.378434   2.74 0.571 0.556 0.321 0.649     217.841     250.000       6.447    2 
+    590000       59000.00      26.789     -46.493     -19.705  467.757707   3.05 0.286 0.636 0.318 0.525     243.039     250.000       6.304    2 
+    600000       60000.00      29.699     -52.970     -23.272  480.791315   2.50 0.571 0.529 0.281 0.359     269.443     250.000       6.413    2 
+    610000       61000.00      25.520     -43.184     -17.664  535.073270   3.43 0.500 0.611 0.384 0.689     231.529     270.000       6.511    2 
+    620000       62000.00      33.219     -58.332     -25.113  543.024601   3.90 0.429 0.714 0.403 0.573     301.375     270.000       6.100    2 
+    630000       63000.00      34.206     -50.621     -16.415  552.583227   3.01 0.429 0.500 0.223 0.628     310.336     270.000       6.827    2 
+    640000       64000.00      31.684     -47.021     -15.337  552.346386   2.98 0.571 0.529 0.302 0.562     287.449     270.000       6.480    2 
+    650000       65000.00      29.804     -55.018     -25.214  558.446451   2.69 0.429 0.647 0.278 0.731     270.397     270.000       7.013    2 
+    660000       66000.00      29.837     -47.732     -17.895  565.198907   3.32 0.429 0.700 0.320 0.860     270.692     270.000       6.366    2 
+    670000       67000.00      29.638     -50.159     -20.521  572.837220   3.06 0.286 0.692 0.241 0.441     268.891     270.000       7.253    2 
+    680000       68000.00      29.458     -53.996     -24.538  602.016564   3.48 0.571 0.529 0.321 0.356     267.258     270.000       6.893    2 
+    690000       69000.00      24.815     -50.628     -25.813  614.944405   3.50 0.500 0.533 0.345 0.679     225.137     270.000       7.148    2 
+    700000       70000.00      27.079     -54.806     -27.727  619.623452   3.00 0.214 0.769 0.311 0.827     245.672     270.000       7.038    2 
+    710000       71000.00      24.703     -60.674     -35.971  591.711847   3.08 0.214 0.769 0.245 0.473     224.120     260.000       6.788    2 
+    720000       72000.00      36.061     -52.663     -16.602  600.274959   3.02 0.429 0.571 0.364 0.887     327.167     260.000       6.915    2 
+    730000       73000.00      31.695     -56.959     -25.264  600.706856   3.06 0.357 0.615 0.259 0.724     287.550     260.000       6.871    2 
+    740000       74000.00      25.728     -56.172     -30.444  621.911612   3.30 0.214 0.824 0.278 0.353     233.418     260.000       6.501    2 
+    750000       75000.00      28.015     -60.122     -32.107  636.741114   2.58 0.714 0.333 0.306 0.479     254.163     260.000       7.048    2 
+    760000       76000.00      27.707     -67.635     -39.927  647.542007   2.59 0.500 0.562 0.210 0.567     251.374     260.000       6.786    2 
+    770000       77000.00      27.084     -64.417     -37.333  649.657833   3.02 0.286 0.778 0.293 0.550     245.719     260.000       6.447    2 
+    780000       78000.00      25.342     -50.428     -25.086  669.961735   2.83 0.429 0.647 0.270 0.564     229.914     260.000       7.008    2 
+    790000       79000.00      27.302     -61.994     -34.692  669.009101   2.73 0.357 0.667 0.285 0.864     247.697     260.000       6.701    2 
+    800000       80000.00      36.148     -59.366     -23.218  670.295986   2.60 0.357 0.667 0.291 0.974     327.957     260.000       6.714    2 
+    810000       81000.00      26.542     -66.469     -39.927  643.910641   2.78 0.429 0.625 0.250 0.864     240.806     250.000       6.867    2 
+    820000       82000.00      28.834     -57.166     -28.331  648.748468   2.88 0.500 0.562 0.227 0.799     261.601     250.000       6.854    2 
+    830000       83000.00      26.001     -63.405     -37.403  650.604221   2.96 0.500 0.650 0.227 0.337     235.897     250.000       6.487    2 
+    840000       84000.00      27.724     -68.317     -40.593  659.443563   3.20 0.429 0.667 0.220 0.451     251.526     250.000       6.915    2 
+    850000       85000.00      28.314     -59.286     -30.971  663.250927   2.72 0.429 0.600 0.312 1.002     256.883     250.000       6.693    2 
+    860000       86000.00      27.782     -59.698     -31.916  668.740286   3.15 0.286 0.636 0.236 0.858     252.051     250.000       6.765    2 
+    870000       87000.00      24.398     -68.799     -44.401  671.702813   2.69 0.643 0.526 0.266 0.545     221.349     250.000       6.557    2 
+    880000       88000.00      32.740     -62.765     -30.025  677.639481   2.72 0.571 0.579 0.337 0.586     297.037     250.000       6.660    2 
+    890000       89000.00      22.693     -67.846     -45.152  678.488978   2.74 0.286 0.733 0.330 0.574     205.886     250.000       6.646    2 
+    900000       90000.00      28.819     -52.925     -24.106  682.149501   2.69 0.286 0.714 0.237 0.641     261.463     250.000       6.969    2 
+    910000       91000.00      23.641     -50.084     -26.443  727.854830   2.52 0.357 0.643 0.263 0.551     214.483     260.000       6.869    2 
+    920000       92000.00      24.127     -57.805     -33.677  731.038613   2.81 0.286 0.714 0.282 0.464     218.897     260.000       6.623    2 
+    930000       93000.00      29.786     -58.706     -28.920  739.474569   2.87 0.286 0.733 0.285 0.606     270.230     260.000       6.893    2 
+    940000       94000.00      26.334     -58.368     -32.034  749.957319   3.08 0.500 0.611 0.301 0.568     238.912     260.000       6.851    2 
+    950000       95000.00      25.034     -50.983     -25.949  757.225762   2.93 0.500 0.562 0.332 0.554     227.120     260.000       7.040    2 
+    960000       96000.00      24.223     -64.581     -40.357  768.967342   2.99 0.500 0.500 0.305 0.348     219.767     260.000       6.855    2 
+    970000       97000.00      32.978     -53.262     -20.285  773.366550   3.15 0.429 0.571 0.240 1.072     299.190     260.000       7.125    2 
+    980000       98000.00      29.645     -57.715     -28.070  781.862134   2.73 0.500 0.533 0.267 1.220     268.954     260.000       6.859    2 
+    990000       99000.00      28.151     -69.028     -40.877  789.948178   2.69 0.429 0.647 0.278 0.310     255.404     260.000       6.666    2 
+   1000000      100000.00      27.626     -56.513     -28.886  787.731872   3.02 0.357 0.583 0.212 0.578     250.642     260.000       6.670    2 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB003.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB003.stat
index d8a45d9..2067a5b 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB003.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB003.stat
@@ -1,101 +1,101 @@
          0           0.00      26.454      24.932      51.385    0.000000  12.87 0.000   NaN   NaN 0.709     240.001     280.000      15.552    3 
-     10000        1000.00      22.899     -16.694       6.205   25.836230   6.38 0.071 0.750 0.250 0.730     207.752     280.000       8.658    3 
-     20000        2000.00      27.201     -29.944      -2.743   58.982128   5.01 0.071 0.889 0.404 0.722     246.779     280.000       7.798    3 
-     30000        3000.00      37.234     -36.514       0.720   74.956356   5.45 0.143 0.833 0.432 0.486     337.804     280.000       6.956    3 
-     40000        4000.00      29.797     -32.672      -2.874   86.467549   5.11 0.214 0.727 0.355 0.639     270.337     280.000       7.125    3 
-     50000        5000.00      28.834     -41.390     -12.557   95.005162   3.46 0.571 0.429 0.341 0.610     261.592     280.000       6.630    3 
-     60000        6000.00      33.678     -32.456       1.222  103.941486   4.48 0.214 0.769 0.374 0.524     305.547     280.000       6.718    3 
-     70000        7000.00      31.644     -39.639      -7.996  110.750553   4.03 0.286 0.714 0.412 0.279     287.090     280.000       6.766    3 
-     80000        8000.00      39.652     -42.109      -2.457  142.374569   3.55 0.214 0.750 0.455 0.865     359.744     280.000       6.472    3 
-     90000        9000.00      33.992     -34.877      -0.885  154.763510   3.84 0.214 0.700 0.359 0.792     308.394     280.000       6.671    3 
-    100000       10000.00      26.823     -37.082     -10.259  163.590039   3.95 0.357 0.615 0.388 0.870     243.356     280.000       6.876    3 
-    110000       11000.00      37.255     -47.783     -10.528  175.182336   4.50 0.500 0.562 0.386 0.864     337.994     270.000       6.285    3 
-    120000       12000.00      35.921     -29.583       6.338  189.590513   3.88 0.143 0.667 0.197 0.593     325.892     270.000       7.406    3 
-    130000       13000.00      31.471     -38.123      -6.652  207.751389   4.33 0.214 0.727 0.409 0.558     285.522     270.000       6.664    3 
-    140000       14000.00      34.908     -48.529     -13.621  225.071099   4.76 0.143 0.818 0.368 0.453     316.701     270.000       7.368    3 
-    150000       15000.00      34.498     -46.479     -11.981  244.937057   4.71 0.214 0.667 0.338 0.639     312.986     270.000       7.146    3 
-    160000       16000.00      28.324     -39.909     -11.585  255.436266   4.18 0.286 0.765 0.396 0.973     256.974     270.000       6.524    3 
-    170000       17000.00      33.188     -35.679      -2.491  268.077952   4.21 0.357 0.545 0.380 0.545     301.102     270.000       7.045    3 
-    180000       18000.00      25.930     -37.105     -11.175  286.907976   3.89 0.286 0.556 0.414 0.706     235.255     270.000       6.520    3 
-    190000       19000.00      25.898     -45.410     -19.512  289.261332   2.97 0.286 0.600 0.236 1.137     234.964     270.000       7.278    3 
-    200000       20000.00      29.317     -44.381     -15.064  314.779987   3.86 0.357 0.643 0.334 0.464     265.980     270.000       6.545    3 
-    210000       21000.00      33.126     -26.596       6.529  359.841555   4.99 0.143 0.846 0.357 0.675     300.532     290.000       6.565    3 
-    220000       22000.00      29.722     -36.984      -7.262  377.083913   3.23 0.500 0.533 0.309 0.805     269.653     290.000       6.621    3 
-    230000       23000.00      26.242     -36.018      -9.776  388.950998   2.93 0.500 0.462 0.336 0.769     238.081     290.000       6.844    3 
-    240000       24000.00      29.766     -39.286      -9.521  394.208440   6.23 0.214 0.625 0.210 0.863     270.049     290.000       7.576    3 
-    250000       25000.00      32.601     -29.421       3.180  401.000191   3.70 0.214 0.700 0.255 0.344     295.777     290.000       7.266    3 
-    260000       26000.00      36.195     -32.453       3.743  419.144510   3.33 0.286 0.556 0.202 0.842     328.383     290.000       7.320    3 
-    270000       27000.00      34.627     -29.926       4.701  438.053934   3.62 0.357 0.444 0.293 0.638     314.158     290.000       7.253    3 
-    280000       28000.00      37.795     -37.581       0.214  458.305475   2.89 0.214 0.667 0.449 0.634     342.892     290.000       7.833    3 
-    290000       29000.00      29.921     -39.470      -9.549  493.965032   3.08 0.357 0.545 0.314 0.475     271.455     290.000       6.809    3 
-    300000       30000.00      28.451     -35.620      -7.169  506.237910   2.67 0.357 0.615 0.329 0.957     258.122     290.000       7.170    3 
-    310000       31000.00      38.430     -26.945      11.485  605.359753   2.74 0.214 0.500 0.235 0.606     348.661     330.000       7.728    3 
-    320000       32000.00      44.395     -28.200      16.195  617.367928   2.96 0.429 0.400 0.282 0.989     402.770     330.000       7.182    3 
-    330000       33000.00      36.983     -22.444      14.539  646.283621   2.36 0.500 0.462 0.234 1.082     335.525     330.000       6.783    3 
-    340000       34000.00      37.853     -28.869       8.985  682.101211   4.57 0.214 0.700 0.364 0.425     343.426     330.000       6.851    3 
-    350000       35000.00      38.057     -27.760      10.298  702.570006   3.74 0.286 0.556 0.207 0.625     345.277     330.000       7.500    3 
-    360000       36000.00      32.987     -25.164       7.823  742.431107   4.99 0.286 0.692 0.364 0.614     299.274     330.000       7.036    3 
-    370000       37000.00      28.171     -29.907      -1.736  772.845926   3.70 0.143 0.750 0.188 0.740     255.579     330.000       7.277    3 
-    380000       38000.00      33.748     -29.301       4.448  790.572780   3.96 0.214 0.571 0.383 0.655     306.184     330.000       7.125    3 
-    390000       39000.00      35.031     -32.901       2.131  809.918072   5.32 0.143 0.714 0.240 0.592     317.823     330.000       8.041    3 
-    400000       40000.00      30.166     -21.230       8.937  833.534386   5.84 0.071 0.833 0.311 0.784     273.686     330.000       7.296    3 
-    410000       41000.00      30.390      -7.820      22.570  935.864258   7.55 0.071 0.500 0.182 0.748     275.712     360.000       9.309    3 
-    420000       42000.00      48.546      -7.181      41.364  975.184151   5.50 0.071 0.750 0.420 0.643     440.432     360.000       8.757    3 
-    430000       43000.00      32.514     -13.638      18.876 1021.907123   6.74 0.000 1.000 0.442 0.623     294.981     360.000       8.499    3 
-    440000       44000.00      35.621     -22.761      12.860 1062.268551   6.43 0.143 0.600 0.364 1.487     323.173     360.000       7.311    3 
-    450000       45000.00      42.805     -11.230      31.575 1089.060123   9.05 0.071 0.500 0.182 0.519     388.350     360.000      11.362    3 
-    460000       46000.00      37.871       1.206      39.077 1117.537578   6.20 0.000 1.000 0.182 0.630     343.589     360.000      10.488    3 
-    470000       47000.00      31.191      -0.756      30.435 1193.196734   9.52 0.000 1.000 0.273 1.113     282.977     360.000      12.941    3 
-    480000       48000.00      37.572     -14.225      23.347 1259.759531   6.13 0.071 0.500 0.318 0.520     340.875     360.000       8.461    3 
-    490000       49000.00      39.489      -2.910      36.579 1280.702434   6.42 0.000   NaN   NaN 0.672     358.265     360.000      11.323    3 
-    500000       50000.00      33.096     -12.788      20.307 1294.027322   6.31 0.071 0.000 0.545 0.955     300.262     360.000       9.323    3 
-    510000       51000.00      42.797     -15.179      27.618 1408.163223   6.59 0.000 1.000 0.455 0.956     388.276     380.000      10.772    3 
-    520000       52000.00      41.295      -8.474      32.821 1481.185034   5.03 0.000 1.000 0.455 0.769     374.651     380.000       9.089    3 
-    530000       53000.00      34.751     -11.867      22.884 1518.140077   4.60 0.143 0.600 0.355 0.718     315.277     380.000       8.606    3 
-    540000       54000.00      37.185     -14.463      22.723 1567.780444   6.46 0.071 0.833 0.485 0.746     337.366     380.000       7.749    3 
-    550000       55000.00      34.054      -5.126      28.928 1628.376283   5.19 0.071 0.750 0.500 1.052     308.953     380.000       9.264    3 
-    560000       56000.00      34.572       2.602      37.174 1666.964032  12.61 0.000   NaN   NaN 0.839     313.658     380.000      16.628    3 
-    570000       57000.00      44.839      -5.224      39.615 1688.425036   5.87 0.071 0.500 0.250 0.478     406.803     380.000       8.937    3 
-    580000       58000.00      46.570       0.602      47.173 1736.734405   9.55 0.071 0.667 0.182 1.065     422.509     380.000      11.930    3 
-    590000       59000.00      40.413     -11.125      29.288 1745.699311   6.71 0.071 0.667 0.227 0.470     366.644     380.000       8.673    3 
-    600000       60000.00      48.007       5.940      53.947 1775.616238   7.37 0.000 1.000 0.318 0.937     435.545     380.000       9.192    3 
-    610000       61000.00      35.130      11.504      46.634 1936.266002   8.43 0.000 1.000 0.227 0.411     318.718     400.000      10.830    3 
-    620000       62000.00      46.116     -12.152      33.964 1962.474809   5.83 0.000 1.000 0.509 0.536     418.388     400.000       7.801    3 
-    630000       63000.00      41.211      -5.557      35.653 2051.338194   7.98 0.000   NaN   NaN 0.798     373.884     400.000      11.782    3 
-    640000       64000.00      54.556      -6.283      48.273 2078.731856   5.63 0.071 0.667 0.167 0.781     494.959     400.000      10.089    3 
-    650000       65000.00      54.082     -14.724      39.358 2144.810371   6.24 0.143 0.500 0.239 0.661     490.658     400.000       8.855    3 
-    660000       66000.00      37.468       2.465      39.933 2190.113730   7.22 0.071 0.667 0.197 0.615     339.930     400.000       9.348    3 
-    670000       67000.00      36.130       3.619      39.749 2222.102565   8.58 0.000 1.000 0.273 1.359     327.790     400.000      12.018    3 
-    680000       68000.00      41.107       4.361      45.468 2257.014179   6.85 0.071 0.000 0.136 0.942     372.945     400.000      10.183    3 
-    690000       69000.00      31.706      -0.524      31.182 2300.801810   7.04 0.143 0.500 0.193 0.523     287.656     400.000       8.417    3 
-    700000       70000.00      39.662      -4.571      35.091 2367.564525   6.55 0.071 0.000 0.136 0.552     359.831     400.000      10.699    3 
-    710000       71000.00      50.867      -2.535      48.332 2344.925325   6.38 0.143 0.000 0.205 0.710     461.491     390.000       9.981    3 
-    720000       72000.00      41.668      -5.617      36.050 2378.798806   6.30 0.000 1.000 0.545 0.708     378.029     390.000      11.220    3 
-    730000       73000.00      31.737       3.421      35.158 2485.993072   5.02 0.000 1.000 0.364 0.802     287.938     390.000       8.130    3 
-    740000       74000.00      42.013      -2.944      39.070 2531.464113   6.80 0.143 0.500 0.148 0.381     381.168     390.000      11.125    3 
-    750000       75000.00      36.294       2.914      39.208 2565.760149   7.45 0.000 1.000 0.273 1.210     329.275     390.000      10.379    3 
-    760000       76000.00      56.297      -8.274      48.023 2607.548284   6.30 0.071 0.500 0.545 0.909     510.759     390.000       7.941    3 
-    770000       77000.00      39.687      -4.814      34.873 2656.557979   4.57 0.071 0.750 0.273 0.321     360.064     390.000       8.279    3 
-    780000       78000.00      33.723      -2.272      31.451 2711.975257   5.40 0.071 0.800 0.555 0.715     305.956     390.000       8.399    3 
-    790000       79000.00      53.543     -10.954      42.589 2768.475837   5.96 0.071 0.667 0.561 1.194     485.766     390.000       8.252    3 
-    800000       80000.00      48.112       0.237      48.349 2818.771931   6.63 0.000 1.000 0.182 0.855     436.498     390.000       8.833    3 
-    810000       81000.00      43.732      -4.448      39.284 2795.932651   8.58 0.000 1.000 0.159 0.896     396.759     380.000      10.555    3 
-    820000       82000.00      35.589      -0.790      34.799 2848.566984   5.03 0.000 1.000 0.182 0.670     322.885     380.000       8.102    3 
-    830000       83000.00      52.135     -14.845      37.290 2885.664693   6.01 0.071 0.667 0.167 0.712     472.994     380.000      10.143    3 
-    840000       84000.00      33.870      -5.037      28.833 2914.555487   5.42 0.071 0.667 0.303 0.973     307.290     380.000       9.869    3 
-    850000       85000.00      42.556       0.877      43.433 2962.813600   5.66 0.000 1.000 0.242 0.575     386.086     380.000       9.812    3 
-    860000       86000.00      39.700      -7.574      32.126 2987.446353   5.14 0.000 1.000 0.491 0.861     360.181     380.000       8.883    3 
-    870000       87000.00      39.937     -10.064      29.873 3022.602233   5.40 0.000 1.000 0.530 0.606     362.327     380.000       9.060    3 
-    880000       88000.00      47.931      -6.095      41.836 3033.389933   4.80 0.143 0.333 0.485 1.032     434.857     380.000       8.765    3 
-    890000       89000.00      42.291      -1.963      40.328 3073.918393   8.14 0.071 0.500 0.136 0.672     383.685     380.000      10.089    3 
-    900000       90000.00      41.567      -2.186      39.381 3147.997258   5.33 0.000 1.000 0.182 1.219     377.116     380.000       9.338    3 
-    910000       91000.00      41.566      11.608      53.174 3079.378202   7.27 0.000   NaN   NaN 1.029     377.106     370.000      11.928    3 
-    920000       92000.00      37.358       3.771      41.129 3109.238282   6.88 0.000   NaN   NaN 0.383     338.929     370.000      10.883    3 
-    930000       93000.00      43.788     -13.288      30.499 3119.012771   5.70 0.000 1.000 0.409 0.946     397.264     370.000       8.124    3 
-    940000       94000.00      37.362      -8.024      29.337 3172.703955   5.52 0.143 0.600 0.291 1.345     338.965     370.000       8.845    3 
-    950000       95000.00      40.187     -20.622      19.565 3182.303776   5.52 0.143 0.750 0.483 0.936     364.593     370.000       7.725    3 
-    960000       96000.00      43.706      -5.816      37.890 3225.141335   8.53 0.000   NaN   NaN 0.963     396.525     370.000      12.227    3 
-    970000       97000.00      46.824      -4.411      42.413 3274.273174   9.21 0.000   NaN   NaN 0.493     424.809     370.000      13.664    3 
-    980000       98000.00      33.029      -9.187      23.842 3310.877222   4.23 0.143 0.714 0.461 1.644     299.660     370.000       7.565    3 
-    990000       99000.00      39.373       1.299      40.672 3332.479508   4.67 0.143 0.000 0.159 1.134     357.212     370.000       9.347    3 
-   1000000      100000.00      26.241     -18.564       7.678 3383.554741   5.96 0.286 0.636 0.293 0.759     238.076     370.000       6.809    3 
+     10000        1000.00      27.780     -26.655       1.125   29.405455   7.00 0.071 0.909 0.434 0.562     252.039     280.000       7.560    3 
+     20000        2000.00      28.886     -22.393       6.493   49.814393   7.09 0.000 1.000 0.442 1.057     262.066     280.000       8.766    3 
+     30000        3000.00      32.006     -29.843       2.163  104.050840   5.28 0.071 0.857 0.403 1.024     290.371     280.000       7.785    3 
+     40000        4000.00      31.955     -24.751       7.204  110.089900   6.69 0.143 0.833 0.398 0.550     289.911     280.000       6.762    3 
+     50000        5000.00      33.607     -24.075       9.533  136.623119   5.97 0.071 0.889 0.338 0.585     304.903     280.000       8.878    3 
+     60000        6000.00      33.363     -24.612       8.752  151.382814   4.02 0.143 0.667 0.409 0.910     302.689     280.000       7.594    3 
+     70000        7000.00      26.016     -40.210     -14.194  169.906549   4.68 0.214 0.750 0.383 0.510     236.031     280.000       7.374    3 
+     80000        8000.00      27.498     -35.446      -7.948  204.818958   4.51 0.143 0.833 0.405 0.498     249.478     280.000       6.559    3 
+     90000        9000.00      30.212     -39.997      -9.785  209.232888   4.50 0.143 0.857 0.344 0.515     274.100     280.000       6.897    3 
+    100000       10000.00      32.526     -38.284      -5.758  224.123835   4.30 0.071 0.900 0.359 0.494     295.091     280.000       6.866    3 
+    110000       11000.00      31.011     -27.492       3.519  251.662398   4.14 0.286 0.636 0.360 0.507     281.347     300.000       7.529    3 
+    120000       12000.00      39.647     -28.773      10.874  259.350363   5.41 0.286 0.733 0.385 0.642     359.697     300.000       6.205    3 
+    130000       13000.00      28.882     -31.461      -2.579  275.906665   4.75 0.214 0.625 0.335 0.995     262.031     300.000       7.751    3 
+    140000       14000.00      28.308     -34.722      -6.415  287.553740   6.63 0.214 0.800 0.318 0.598     256.824     300.000       7.024    3 
+    150000       15000.00      27.375     -28.598      -1.223  347.226108   5.92 0.000 1.000 0.379 0.893     248.360     300.000       7.308    3 
+    160000       16000.00      34.627     -41.202      -6.575  370.927629   5.10 0.286 0.556 0.187 0.441     314.156     300.000       7.357    3 
+    170000       17000.00      34.231     -51.429     -17.198  383.241369   4.81 0.286 0.733 0.385 0.558     310.560     300.000       6.763    3 
+    180000       18000.00      26.167     -45.223     -19.056  397.714734   4.55 0.357 0.500 0.259 0.943     237.401     300.000       7.296    3 
+    190000       19000.00      28.506     -38.624     -10.119  405.912774   4.96 0.286 0.692 0.329 0.748     258.619     300.000       6.722    3 
+    200000       20000.00      31.798     -37.841      -6.043  418.377795   4.25 0.286 0.636 0.322 0.793     288.492     300.000       7.519    3 
+    210000       21000.00      36.272     -38.659      -2.387  405.309031   5.63 0.357 0.688 0.293 1.118     329.079     290.000       6.963    3 
+    220000       22000.00      37.201     -39.546      -2.346  422.937852   4.94 0.214 0.667 0.283 0.693     337.504     290.000       7.093    3 
+    230000       23000.00      34.796     -41.223      -6.427  435.441598   5.12 0.214 0.700 0.355 0.845     315.688     290.000       6.670    3 
+    240000       24000.00      34.471     -36.083      -1.612  449.072916   4.65 0.286 0.600 0.314 0.749     312.737     290.000       6.691    3 
+    250000       25000.00      28.733     -42.966     -14.233  453.209335   4.64 0.286 0.600 0.223 0.836     260.681     290.000       7.453    3 
+    260000       26000.00      28.041     -42.105     -14.064  470.875135   4.30 0.286 0.714 0.282 0.792     254.400     290.000       6.889    3 
+    270000       27000.00      25.183     -30.535      -5.352  477.835688   3.40 0.286 0.500 0.193 0.449     228.474     290.000       7.981    3 
+    280000       28000.00      36.706     -36.312       0.394  479.351633   3.76 0.286 0.429 0.227 0.790     333.018     290.000       7.024    3 
+    290000       29000.00      35.415     -38.712      -3.297  490.335213   3.21 0.357 0.375 0.216 0.905     321.306     290.000       7.487    3 
+    300000       30000.00      33.184     -50.250     -17.066  491.712345   3.19 0.357 0.583 0.371 0.410     301.060     290.000       6.556    3 
+    310000       31000.00      40.684     -44.224      -3.540  479.502720   3.96 0.429 0.625 0.355 0.728     369.108     280.000       6.375    3 
+    320000       32000.00      22.982     -44.687     -21.705  490.979145   3.99 0.571 0.600 0.439 0.826     208.504     280.000       6.327    3 
+    330000       33000.00      29.087     -46.450     -17.363  496.896284   3.49 0.429 0.625 0.327 0.548     263.892     280.000       6.398    3 
+    340000       34000.00      30.967     -44.373     -13.406  507.884637   2.16 0.286 0.556 0.202 0.585     280.949     280.000       7.149    3 
+    350000       35000.00      35.787     -54.663     -18.876  541.132171   2.97 0.429 0.538 0.420 0.811     324.677     280.000       6.794    3 
+    360000       36000.00      27.820     -45.660     -17.840  552.056234   1.89 0.500 0.462 0.252 0.725     252.401     280.000       6.475    3 
+    370000       37000.00      34.557     -44.129      -9.572  561.195253   2.32 0.357 0.643 0.273 0.790     313.520     280.000       6.438    3 
+    380000       38000.00      33.673     -51.820     -18.147  568.201959   2.20 0.357 0.583 0.360 0.656     305.503     280.000       6.771    3 
+    390000       39000.00      29.363     -51.376     -22.013  569.107829   2.32 0.357 0.688 0.330 0.891     266.398     280.000       6.629    3 
+    400000       40000.00      23.993     -37.987     -13.994  575.763551   2.98 0.429 0.538 0.287 0.547     217.674     280.000       6.554    3 
+    410000       41000.00      38.190     -35.728       2.461  662.241844   4.09 0.214 0.700 0.309 0.724     346.476     310.000       6.958    3 
+    420000       42000.00      35.949     -36.978      -1.029  688.606488   3.06 0.286 0.636 0.318 0.597     326.149     310.000       7.153    3 
+    430000       43000.00      39.977     -28.967      11.010  709.836229   4.49 0.286 0.600 0.305 1.352     362.690     310.000       6.649    3 
+    440000       44000.00      33.113     -36.629      -3.516  712.876740   4.07 0.286 0.636 0.322 0.611     300.421     310.000       6.789    3 
+    450000       45000.00      30.998     -26.622       4.376  741.564226   3.54 0.286 0.714 0.312 1.044     281.232     310.000       7.180    3 
+    460000       46000.00      35.141     -33.581       1.560  759.814529   3.84 0.357 0.688 0.344 0.522     318.820     310.000       6.831    3 
+    470000       47000.00      31.435     -42.869     -11.434  777.355882   3.68 0.429 0.647 0.425 0.792     285.196     310.000       6.419    3 
+    480000       48000.00      28.812     -28.931      -0.119  790.459744   4.15 0.214 0.750 0.269 0.513     261.400     310.000       7.694    3 
+    490000       49000.00      40.673     -34.221       6.452  811.307624   3.55 0.214 0.727 0.322 1.009     369.003     310.000       7.606    3 
+    500000       50000.00      34.427     -29.535       4.892  818.038606   3.85 0.214 0.700 0.282 1.105     312.337     310.000       7.165    3 
+    510000       51000.00      35.981     -29.392       6.589  808.759171   4.53 0.286 0.667 0.292 0.748     326.440     300.000       7.066    3 
+    520000       52000.00      37.609     -37.756      -0.146  819.557978   5.20 0.214 0.727 0.273 0.826     341.210     300.000       7.145    3 
+    530000       53000.00      32.896     -49.404     -16.508  832.820835   6.11 0.214 0.786 0.338 0.683     298.449     300.000       6.718    3 
+    540000       54000.00      35.016     -36.718      -1.702  866.815288   6.04 0.143 0.800 0.264 0.768     317.680     300.000       6.807    3 
+    550000       55000.00      30.332     -32.071      -1.740  878.164049   4.89 0.143 0.833 0.318 1.070     275.184     300.000       7.126    3 
+    560000       56000.00      36.479     -28.500       7.979  901.369143   6.38 0.143 0.818 0.326 0.739     330.958     300.000       6.518    3 
+    570000       57000.00      32.148     -38.793      -6.645  925.004531   5.13 0.357 0.737 0.423 0.746     291.663     300.000       7.082    3 
+    580000       58000.00      32.668     -35.999      -3.331  937.369900   5.47 0.214 0.750 0.383 0.541     296.379     300.000       6.623    3 
+    590000       59000.00      36.680     -35.781       0.900  960.334849   5.36 0.071 0.900 0.332 0.402     332.784     300.000       7.071    3 
+    600000       60000.00      24.141     -40.773     -16.632  981.484570   4.94 0.143 0.833 0.367 0.539     219.017     300.000       6.726    3 
+    610000       61000.00      28.431     -41.513     -13.082  990.171859   6.51 0.214 0.833 0.331 1.116     257.942     300.000       6.544    3 
+    620000       62000.00      24.865     -35.710     -10.845 1006.853441   6.04 0.214 0.812 0.406 0.300     225.586     300.000       6.911    3 
+    630000       63000.00      31.428     -37.839      -6.411 1038.568203   5.33 0.286 0.714 0.302 0.470     285.136     300.000       6.782    3 
+    640000       64000.00      34.937     -32.776       2.162 1055.523197   5.95 0.143 0.750 0.341 0.665     316.971     300.000       7.620    3 
+    650000       65000.00      31.433     -32.837      -1.404 1070.722581   6.38 0.286 0.636 0.302 0.737     285.175     300.000       6.769    3 
+    660000       66000.00      36.792     -34.908       1.884 1074.379794   5.16 0.214 0.625 0.273 0.418     333.798     300.000       7.338    3 
+    670000       67000.00      27.669     -40.644     -12.975 1118.323310   3.53 0.214 0.750 0.174 0.781     251.026     300.000       6.870    3 
+    680000       68000.00      30.196     -29.872       0.325 1129.145090   5.59 0.071 0.857 0.357 0.391     273.957     300.000       7.562    3 
+    690000       69000.00      32.469     -39.788      -7.319 1140.568533   4.70 0.214 0.769 0.371 0.785     294.576     300.000       6.887    3 
+    700000       70000.00      32.734     -30.288       2.447 1148.284580   5.46 0.286 0.667 0.265 1.361     296.982     300.000       6.939    3 
+    710000       71000.00      32.262     -30.449       1.813 1215.001310   4.77 0.286 0.636 0.240 0.998     292.700     310.000       7.791    3 
+    720000       72000.00      34.923     -18.538      16.385 1230.343244   3.55 0.214 0.667 0.268 0.495     316.841     310.000       7.192    3 
+    730000       73000.00      33.002     -42.577      -9.575 1252.168868   3.44 0.286 0.733 0.339 0.407     299.416     310.000       7.346    3 
+    740000       74000.00      34.781     -38.373      -3.591 1261.469795   5.13 0.286 0.667 0.303 0.538     315.554     310.000       7.037    3 
+    750000       75000.00      34.904     -27.539       7.364 1284.524159   6.80 0.071 0.875 0.381 0.516     316.664     310.000       7.038    3 
+    760000       76000.00      31.243     -25.147       6.096 1286.611460   6.05 0.286 0.500 0.239 0.761     283.451     310.000       6.855    3 
+    770000       77000.00      36.948     -35.208       1.741 1315.820502   3.96 0.357 0.545 0.364 0.646     335.214     310.000       7.411    3 
+    780000       78000.00      33.388     -35.546      -2.158 1331.219253   4.42 0.143 0.667 0.333 0.857     302.913     310.000       7.646    3 
+    790000       79000.00      38.633     -28.677       9.955 1362.079454   5.07 0.286 0.600 0.323 0.864     350.496     310.000       7.305    3 
+    800000       80000.00      30.219     -28.202       2.017 1378.845113   3.90 0.214 0.750 0.277 1.462     274.159     310.000       7.005    3 
+    810000       81000.00      39.993     -40.267      -0.274 1344.497456   5.07 0.214 0.769 0.266 1.199     362.838     300.000       7.062    3 
+    820000       82000.00      37.182     -22.331      14.851 1371.583139   5.72 0.071 0.750 0.148 0.977     337.332     300.000       9.044    3 
+    830000       83000.00      35.615     -31.819       3.795 1398.709376   4.43 0.214 0.700 0.227 0.577     323.115     300.000       7.340    3 
+    840000       84000.00      26.987     -26.445       0.542 1457.963908   4.34 0.214 0.625 0.278 1.597     244.842     300.000       8.068    3 
+    850000       85000.00      29.508     -33.428      -3.920 1462.377541   5.08 0.214 0.727 0.397 0.753     267.708     300.000       7.086    3 
+    860000       86000.00      34.669     -41.027      -6.357 1490.806529   6.04 0.071 0.875 0.347 0.714     314.537     300.000       6.920    3 
+    870000       87000.00      36.761     -43.800      -7.040 1494.850919   6.14 0.143 0.778 0.338 0.354     333.512     300.000       6.785    3 
+    880000       88000.00      34.840     -34.388       0.452 1505.388596   4.77 0.286 0.600 0.318 1.325     316.090     300.000       7.170    3 
+    890000       89000.00      33.603     -40.995      -7.393 1531.646810   5.66 0.286 0.750 0.389 1.125     304.862     300.000       6.565    3 
+    900000       90000.00      37.640     -48.372     -10.732 1532.670293   4.95 0.286 0.714 0.383 0.927     341.493     300.000       6.699    3 
+    910000       91000.00      32.670     -34.006      -1.336 1597.495208   4.83 0.286 0.692 0.290 0.273     296.397     310.000       6.552    3 
+    920000       92000.00      41.049     -35.446       5.603 1611.053833   4.40 0.071 0.857 0.364 0.328     372.419     310.000       7.720    3 
+    930000       93000.00      34.584     -33.219       1.366 1631.387121   5.14 0.357 0.500 0.336 0.510     313.767     310.000       7.313    3 
+    940000       94000.00      38.706     -34.125       4.581 1636.050706   5.73 0.286 0.500 0.267 0.593     351.160     310.000       6.948    3 
+    950000       95000.00      39.544     -36.058       3.486 1663.853461   4.55 0.357 0.545 0.289 1.020     358.765     310.000       7.403    3 
+    960000       96000.00      31.296     -35.283      -3.987 1683.653414   5.13 0.286 0.667 0.303 0.853     283.932     310.000       7.203    3 
+    970000       97000.00      43.843     -32.667      11.176 1701.250225   4.49 0.143 0.818 0.459 0.492     397.768     310.000       7.352    3 
+    980000       98000.00      27.674     -24.907       2.766 1706.707097   5.60 0.214 0.667 0.258 0.465     251.073     310.000       7.452    3 
+    990000       99000.00      34.837     -32.048       2.790 1714.553751   4.49 0.214 0.750 0.371 1.175     316.064     310.000       7.274    3 
+   1000000      100000.00      27.293     -38.553     -11.260 1722.515726   5.52 0.143 0.846 0.371 0.453     247.613     310.000       6.830    3 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB004.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB004.stat
index 430febc..cee7ba2 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB004.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB004.stat
@@ -1,101 +1,101 @@
          0           0.00      27.343      24.883      52.226    0.000000  12.87 0.000   NaN   NaN 0.708     248.070     290.000      15.552    4 
-     10000        1000.00      37.986     -11.916      26.070   19.244892  12.72 0.000   NaN   NaN 0.578     344.629     290.000      15.757    4 
-     20000        2000.00      35.248     -29.338       5.910   32.943001   4.70 0.214 0.727 0.343 0.483     319.785     290.000       7.979    4 
-     30000        3000.00      37.272     -36.248       1.023   56.246893   4.11 0.286 0.750 0.389 0.825     338.146     290.000       6.181    4 
-     40000        4000.00      25.041     -32.363      -7.322   60.687582   3.89 0.143 0.714 0.325 0.617     227.182     290.000       7.763    4 
-     50000        5000.00      36.021     -26.655       9.366   66.156898   4.63 0.214 0.727 0.256 0.592     326.804     290.000       7.067    4 
-     60000        6000.00      33.353     -32.014       1.339   72.372880   3.72 0.429 0.667 0.396 1.171     302.599     290.000       6.575    4 
-     70000        7000.00      35.048     -43.006      -7.958   76.523566   3.60 0.429 0.647 0.342 0.925     317.971     290.000       6.824    4 
-     80000        8000.00      30.718     -33.068      -2.351   77.571458   4.10 0.214 0.786 0.357 0.561     278.685     290.000       7.734    4 
-     90000        9000.00      37.836     -41.371      -3.535   87.997200   3.98 0.357 0.583 0.311 0.428     343.267     290.000       7.462    4 
-    100000       10000.00      27.937     -49.713     -21.776  111.564189   2.98 0.357 0.667 0.373 0.895     253.457     290.000       6.505    4 
-    110000       11000.00      24.533     -39.065     -14.531  111.673489   4.03 0.357 0.500 0.273 0.797     222.580     280.000       6.645    4 
-    120000       12000.00      26.610     -45.641     -19.031  119.963405   4.13 0.429 0.647 0.436 0.856     241.422     280.000       6.231    4 
-    130000       13000.00      26.254     -53.072     -26.818  135.869666   3.31 0.500 0.667 0.340 0.721     238.189     280.000       6.856    4 
-    140000       14000.00      36.014     -44.814      -8.799  142.110009   3.60 0.357 0.706 0.334 1.150     326.739     280.000       6.771    4 
-    150000       15000.00      28.131     -50.412     -22.280  150.123294   3.41 0.286 0.692 0.385 0.713     255.221     280.000       6.661    4 
-    160000       16000.00      33.728     -44.953     -11.225  152.253373   3.15 0.286 0.750 0.312 1.061     306.000     280.000       7.087    4 
-    170000       17000.00      28.339     -48.673     -20.333  167.760003   3.09 0.214 0.750 0.333 0.633     257.110     280.000       6.911    4 
-    180000       18000.00      45.363     -48.725      -3.362  173.845304   3.69 0.357 0.688 0.327 0.725     411.559     280.000       6.559    4 
-    190000       19000.00      30.057     -43.312     -13.255  182.763932   3.59 0.429 0.600 0.255 0.434     272.695     280.000       6.509    4 
-    200000       20000.00      39.692     -45.417      -5.725  184.819870   2.41 0.429 0.600 0.333 0.600     360.106     280.000       6.929    4 
-    210000       21000.00      22.775     -61.224     -38.449  180.481735   2.94 0.500 0.650 0.339 0.595     206.626     270.000       6.542    4 
-    220000       22000.00      29.204     -45.684     -16.480  190.699674   1.74 0.571 0.500 0.315 0.934     264.950     270.000       6.501    4 
-    230000       23000.00      20.833     -51.047     -30.214  206.420416   2.15 0.500 0.500 0.218 0.875     189.012     270.000       6.675    4 
-    240000       24000.00      31.931     -51.344     -19.413  220.519405   2.17 0.429 0.500 0.223 0.525     289.697     270.000       7.021    4 
-    250000       25000.00      31.337     -54.952     -23.615  221.026333   1.80 0.571 0.556 0.303 0.384     284.301     270.000       6.623    4 
-    260000       26000.00      33.151     -51.740     -18.589  225.872778   2.06 0.500 0.462 0.353 0.490     300.765     270.000       6.717    4 
-    270000       27000.00      30.666     -53.872     -23.206  229.494046   1.88 0.429 0.647 0.345 0.322     278.221     270.000       6.569    4 
-    280000       28000.00      34.011     -58.565     -24.553  236.262992   2.03 0.571 0.500 0.312 0.545     308.569     270.000       6.634    4 
-    290000       29000.00      25.617     -52.016     -26.399  241.680489   2.10 0.571 0.429 0.214 0.719     232.413     270.000       6.657    4 
-    300000       30000.00      30.891     -57.085     -26.195  243.590234   1.97 0.500 0.611 0.306 0.787     280.256     270.000       6.497    4 
-    310000       31000.00      30.187     -50.246     -20.060  226.985279   2.27 0.429 0.600 0.336 0.612     273.869     260.000       6.610    4 
-    320000       32000.00      24.915     -60.939     -36.024  229.238375   2.09 0.500 0.632 0.273 0.826     226.041     260.000       6.792    4 
-    330000       33000.00      24.034     -50.044     -26.010  236.525746   3.19 0.286 0.667 0.216 0.440     218.050     260.000       6.530    4 
-    340000       34000.00      34.538     -52.234     -17.696  238.623233   3.00 0.357 0.643 0.351 0.573     313.345     260.000       6.555    4 
-    350000       35000.00      21.476     -53.059     -31.582  242.587600   3.04 0.429 0.600 0.345 1.409     194.846     260.000       6.397    4 
-    360000       36000.00      28.213     -50.716     -22.503  257.282046   2.97 0.429 0.647 0.316 0.813     255.959     260.000       6.683    4 
-    370000       37000.00      27.796     -56.562     -28.766  277.818442   3.91 0.643 0.550 0.350 0.753     252.182     260.000       6.101    4 
-    380000       38000.00      25.916     -62.672     -36.756  283.400286   2.84 0.429 0.647 0.326 0.608     235.121     260.000       6.492    4 
-    390000       39000.00      31.109     -56.907     -25.798  292.585173   3.32 0.429 0.684 0.361 0.569     282.234     260.000       6.285    4 
-    400000       40000.00      38.315     -55.229     -16.913  299.735265   3.47 0.214 0.786 0.390 0.538     347.616     260.000       6.328    4 
-    410000       41000.00      29.130     -50.550     -21.420  323.535994   3.46 0.429 0.684 0.337 0.453     264.280     270.000       6.405    4 
-    420000       42000.00      34.358     -52.193     -17.836  334.918945   4.36 0.429 0.667 0.424 0.398     311.711     270.000       6.226    4 
-    430000       43000.00      29.300     -44.037     -14.737  339.773059   4.27 0.429 0.625 0.435 0.371     265.827     270.000       6.399    4 
-    440000       44000.00      26.369     -52.799     -26.430  353.353883   3.39 0.357 0.545 0.293 0.579     239.235     270.000       6.469    4 
-    450000       45000.00      33.065     -54.610     -21.546  373.435245   3.68 0.500 0.588 0.417 0.771     299.979     270.000       6.408    4 
-    460000       46000.00      23.751     -45.582     -21.832  374.325091   3.00 0.357 0.583 0.318 0.799     215.477     270.000       6.663    4 
-    470000       47000.00      34.805     -40.758      -5.953  382.812909   3.85 0.500 0.417 0.269 0.517     315.767     270.000       6.723    4 
-    480000       48000.00      32.259     -54.696     -22.437  391.633610   3.12 0.500 0.500 0.308 0.470     292.671     270.000       6.540    4 
-    490000       49000.00      32.916     -52.119     -19.203  400.699490   4.34 0.571 0.600 0.389 1.070     298.630     270.000       6.402    4 
-    500000       50000.00      26.940     -59.629     -32.689  413.370314   3.41 0.500 0.533 0.348 0.519     244.416     270.000       6.258    4 
-    510000       51000.00      27.616     -47.470     -19.854  398.305689   3.77 0.429 0.647 0.422 0.465     250.542     260.000       6.406    4 
-    520000       52000.00      23.758     -56.168     -32.410  413.036695   3.36 0.500 0.611 0.321 0.685     215.548     260.000       6.339    4 
-    530000       53000.00      34.797     -60.279     -25.482  420.670104   3.09 0.571 0.619 0.346 0.759     315.696     260.000       6.321    4 
-    540000       54000.00      24.270     -54.076     -29.806  421.040593   3.35 0.500 0.533 0.327 0.416     220.192     260.000       6.229    4 
-    550000       55000.00      28.819     -54.523     -25.704  422.947235   2.93 0.500 0.588 0.297 0.745     261.459     260.000       6.610    4 
-    560000       56000.00      30.093     -62.751     -32.658  433.948360   3.16 0.357 0.643 0.282 0.526     273.017     260.000       6.625    4 
-    570000       57000.00      24.162     -59.923     -35.761  453.346476   3.45 0.214 0.812 0.332 0.456     219.214     260.000       6.701    4 
-    580000       58000.00      22.494     -50.086     -27.592  470.014743   2.75 0.500 0.588 0.294 1.106     204.077     260.000       6.380    4 
-    590000       59000.00      27.287     -61.428     -34.141  477.937088   3.50 0.286 0.750 0.324 0.514     247.561     260.000       6.616    4 
-    600000       60000.00      26.935     -55.878     -28.943  494.494103   2.99 0.429 0.500 0.314 0.932     244.371     260.000       6.575    4 
-    610000       61000.00      21.355     -51.905     -30.550  500.729199   3.39 0.357 0.667 0.248 0.430     193.744     260.000       6.824    4 
-    620000       62000.00      32.091     -52.131     -20.041  505.255813   2.94 0.500 0.462 0.255 1.554     291.143     260.000       6.668    4 
-    630000       63000.00      26.057     -56.773     -30.716  508.189571   2.79 0.357 0.643 0.282 0.830     236.405     260.000       6.625    4 
-    640000       64000.00      34.650     -53.376     -18.726  511.437996   2.35 0.286 0.692 0.273 0.363     314.366     260.000       6.882    4 
-    650000       65000.00      34.893     -45.556     -10.664  523.843795   2.14 0.643 0.438 0.321 1.354     316.564     260.000       6.646    4 
-    660000       66000.00      28.905     -54.518     -25.613  527.764093   2.11 0.571 0.529 0.275 0.215     262.242     260.000       6.579    4 
-    670000       67000.00      27.412     -54.832     -27.420  533.008963   2.69 0.429 0.700 0.289 0.544     248.696     260.000       6.834    4 
-    680000       68000.00      28.075     -55.595     -27.519  534.012908   2.53 0.500 0.562 0.287 0.632     254.714     260.000       6.905    4 
-    690000       69000.00      27.804     -48.911     -21.107  550.445404   3.52 0.286 0.692 0.248 0.871     252.256     260.000       7.173    4 
-    700000       70000.00      30.768     -58.241     -27.473  557.854839   2.82 0.500 0.562 0.330 0.262     279.142     260.000       6.614    4 
-    710000       71000.00      28.139     -59.735     -31.596  538.100929   2.63 0.357 0.722 0.298 0.640     255.287     250.000       6.629    4 
-    720000       72000.00      28.806     -67.461     -38.655  556.198708   3.10 0.500 0.650 0.225 0.942     261.343     250.000       6.718    4 
-    730000       73000.00      33.930     -57.513     -23.584  560.225490   3.16 0.500 0.500 0.237 0.417     307.828     250.000       7.161    4 
-    740000       74000.00      29.519     -61.655     -32.137  572.257093   3.34 0.429 0.455 0.223 0.451     267.810     250.000       7.506    4 
-    750000       75000.00      28.878     -59.841     -30.963  579.490928   3.08 0.500 0.611 0.278 0.477     261.995     250.000       6.795    4 
-    760000       76000.00      34.699     -55.287     -20.588  588.669955   3.24 0.286 0.714 0.237 0.670     314.808     250.000       7.020    4 
-    770000       77000.00      29.033     -64.876     -35.843  597.043330   2.94 0.429 0.600 0.288 0.773     263.401     250.000       6.831    4 
-    780000       78000.00      27.245     -63.450     -36.205  607.492940   2.79 0.286 0.692 0.301 0.346     247.178     250.000       6.825    4 
-    790000       79000.00      26.368     -59.421     -33.053  614.912200   2.60 0.500 0.588 0.313 0.516     239.222     250.000       6.700    4 
-    800000       80000.00      34.067     -62.282     -28.215  624.044602   2.81 0.643 0.471 0.286 1.035     309.074     250.000       6.506    4 
-    810000       81000.00      34.399     -65.882     -31.483  622.880192   3.04 0.571 0.529 0.307 0.515     312.084     250.000       6.835    4 
-    820000       82000.00      25.711     -62.475     -36.764  632.484183   2.89 0.429 0.684 0.301 0.322     233.264     250.000       6.670    4 
-    830000       83000.00      27.742     -68.349     -40.607  637.303347   2.68 0.357 0.737 0.294 0.552     251.687     250.000       6.478    4 
-    840000       84000.00      26.645     -71.719     -45.073  639.588794   2.66 0.429 0.571 0.276 0.447     241.742     250.000       6.669    4 
-    850000       85000.00      33.844     -72.308     -38.464  640.607373   2.61 0.429 0.667 0.313 1.051     307.051     250.000       6.583    4 
-    860000       86000.00      27.726     -64.887     -37.161  642.531290   2.81 0.357 0.706 0.283 0.302     251.546     250.000       6.371    4 
-    870000       87000.00      25.850     -54.166     -28.316  647.464970   2.67 0.286 0.714 0.263 1.317     234.523     250.000       6.541    4 
-    880000       88000.00      28.224     -64.573     -36.349  658.378493   2.69 0.286 0.765 0.257 0.324     256.059     250.000       6.742    4 
-    890000       89000.00      25.339     -49.520     -24.181  659.418935   3.25 0.143 0.833 0.250 0.321     229.889     250.000       7.429    4 
-    900000       90000.00      29.173     -68.648     -39.475  658.491397   2.58 0.429 0.571 0.263 0.419     264.669     250.000       6.761    4 
-    910000       91000.00      26.323     -67.668     -41.345  668.528124   2.70 0.286 0.750 0.219 0.726     238.818     250.000       6.611    4 
-    920000       92000.00      28.267     -61.456     -33.189  686.475056   2.99 0.500 0.562 0.290 0.735     256.457     250.000       6.839    4 
-    930000       93000.00      18.660     -67.667     -49.007  693.019469   3.03 0.429 0.571 0.263 0.630     169.297     250.000       6.871    4 
-    940000       94000.00      25.979     -58.523     -32.544  694.443070   2.95 0.429 0.667 0.298 0.363     235.699     250.000       6.791    4 
-    950000       95000.00      30.152     -62.951     -32.799  696.009157   3.13 0.500 0.611 0.273 0.642     273.553     250.000       6.821    4 
-    960000       96000.00      22.131     -56.983     -34.852  696.380829   3.02 0.357 0.643 0.312 0.688     200.787     250.000       7.108    4 
-    970000       97000.00      31.552     -58.968     -27.416  704.490573   3.07 0.357 0.667 0.291 0.662     286.256     250.000       7.003    4 
-    980000       98000.00      27.651     -59.416     -31.765  714.149065   3.31 0.357 0.545 0.248 0.639     250.868     250.000       7.324    4 
-    990000       99000.00      28.204     -59.091     -30.886  724.202699   3.00 0.286 0.714 0.269 0.619     255.886     250.000       6.836    4 
-   1000000      100000.00      25.439     -72.765     -47.326  734.840604   2.79 0.357 0.667 0.270 0.907     230.792     250.000       6.660    4 
+     10000        1000.00      29.243     -30.254      -1.011   41.397721   6.68 0.214 0.750 0.239 0.749     265.309     290.000       7.264    4 
+     20000        2000.00      34.458     -28.027       6.431   57.928854   5.98 0.143 0.818 0.273 0.433     312.622     290.000       7.346    4 
+     30000        3000.00      31.236     -30.030       1.207   87.307072   5.48 0.071 0.889 0.237 0.493     283.393     290.000       7.317    4 
+     40000        4000.00      30.571     -23.002       7.569  114.344611   7.63 0.071 0.900 0.268 0.488     277.354     290.000       8.690    4 
+     50000        5000.00      22.714     -46.811     -24.097  123.115302   4.74 0.286 0.778 0.414 0.827     206.075     290.000       6.651    4 
+     60000        6000.00      27.606     -44.272     -16.666  137.284995   7.01 0.143 0.800 0.268 0.568     250.453     290.000       7.362    4 
+     70000        7000.00      27.406     -31.400      -3.994  142.251465   6.53 0.214 0.786 0.289 0.614     248.639     290.000       7.277    4 
+     80000        8000.00      26.548     -39.319     -12.771  175.512382   6.52 0.143 0.750 0.233 0.766     240.855     290.000       7.568    4 
+     90000        9000.00      28.756     -37.045      -8.289  186.532148   5.29 0.286 0.667 0.379 0.526     260.888     290.000       7.125    4 
+    100000       10000.00      28.246     -36.493      -8.247  200.719098   6.39 0.071 0.857 0.266 0.730     256.264     290.000       7.104    4 
+    110000       11000.00      26.652     -45.008     -18.356  191.133610   6.79 0.071 0.857 0.234 0.754     241.804     280.000       7.624    4 
+    120000       12000.00      27.280     -31.592      -4.312  210.774443   7.12 0.143 0.800 0.241 0.912     247.499     280.000       7.548    4 
+    130000       13000.00      26.191     -40.203     -14.011  219.681011   6.43 0.143 0.846 0.325 0.655     237.620     280.000       6.902    4 
+    140000       14000.00      24.203     -28.980      -4.776  245.985844   7.09 0.143 0.778 0.273 1.745     219.586     280.000       7.134    4 
+    150000       15000.00      37.411     -35.870       1.540  256.166676   7.25 0.214 0.727 0.322 1.063     339.410     280.000       7.047    4 
+    160000       16000.00      29.866     -26.475       3.391  266.340096   7.12 0.143 0.750 0.284 0.662     270.958     280.000       7.709    4 
+    170000       17000.00      25.173     -32.715      -7.541  277.912620   7.21 0.071 0.909 0.310 0.492     228.384     280.000       7.342    4 
+    180000       18000.00      35.860     -37.963      -2.103  287.476126   5.32 0.071 0.909 0.252 0.856     325.342     280.000       7.503    4 
+    190000       19000.00      31.593     -36.389      -4.796  295.719132   3.29 0.214 0.727 0.260 0.340     286.629     280.000       6.783    4 
+    200000       20000.00      25.968     -28.548      -2.580  331.139046   7.47 0.071 0.889 0.308 0.775     235.598     280.000       7.076    4 
+    210000       21000.00      36.627     -29.320       7.308  384.508253   6.01 0.143 0.714 0.201 0.891     332.303     310.000       7.815    4 
+    220000       22000.00      33.037     -18.468      14.569  396.122134   5.32 0.143 0.800 0.273 0.738     299.728     310.000       7.544    4 
+    230000       23000.00      28.026     -28.618      -0.592  414.608077   4.28 0.143 0.778 0.318 0.870     254.264     310.000       7.262    4 
+    240000       24000.00      34.987     -23.831      11.156  423.311710   4.10 0.214 0.571 0.545 0.686     317.420     310.000       7.222    4 
+    250000       25000.00      37.984     -31.345       6.639  428.547055   4.15 0.071 0.909 0.289 0.722     344.607     310.000       7.073    4 
+    260000       26000.00      34.987     -25.698       9.289  440.631288   4.31 0.214 0.750 0.295 0.933     317.424     310.000       7.089    4 
+    270000       27000.00      28.965     -27.394       1.572  453.413044   4.77 0.071 0.889 0.389 0.836     262.789     310.000       6.975    4 
+    280000       28000.00      29.449     -22.952       6.497  458.136166   7.15 0.071 0.833 0.394 0.741     267.177     310.000       7.471    4 
+    290000       29000.00      33.515     -17.868      15.647  483.463800   5.24 0.071 0.833 0.311 0.768     304.062     310.000       8.227    4 
+    300000       30000.00      25.458     -25.417       0.041  498.642214   4.53 0.071 0.800 0.245 0.451     230.965     310.000       7.428    4 
+    310000       31000.00      34.533     -15.066      19.467  537.338342   5.07 0.071 0.875 0.364 0.922     313.304     320.000       7.937    4 
+    320000       32000.00      35.010     -27.232       7.779  539.836903   3.67 0.214 0.700 0.368 0.512     317.633     320.000       6.796    4 
+    330000       33000.00      30.617     -20.089      10.528  565.206175   4.19 0.143 0.800 0.423 1.170     277.772     320.000       6.894    4 
+    340000       34000.00      37.926     -28.545       9.381  590.049278   5.23 0.143 0.750 0.415 0.992     344.088     320.000       8.255    4 
+    350000       35000.00      27.247     -27.422      -0.175  642.368604   4.22 0.286 0.429 0.357 0.998     247.198     320.000       8.120    4 
+    360000       36000.00      39.768     -23.400      16.367  661.180458   5.24 0.143 0.667 0.538 0.786     360.793     320.000       8.706    4 
+    370000       37000.00      46.340     -29.371      16.969  679.681396   5.78 0.143 0.667 0.333 0.743     420.417     320.000       8.301    4 
+    380000       38000.00      30.890     -15.375      15.515  718.457844   5.34 0.214 0.400 0.409 0.807     280.248     320.000       8.270    4 
+    390000       39000.00      34.632     -15.284      19.348  745.110347   6.13 0.000 1.000 0.382 0.702     314.201     320.000       9.149    4 
+    400000       40000.00      37.962     -16.974      20.989  756.737074   4.87 0.000 1.000 0.394 0.557     344.413     320.000       7.809    4 
+    410000       41000.00      30.753     -25.407       5.346  782.511357   7.15 0.071 0.800 0.282 0.601     279.003     320.000       7.934    4 
+    420000       42000.00      37.421     -19.478      17.943  801.763189   7.41 0.214 0.700 0.368 0.770     339.504     320.000       7.354    4 
+    430000       43000.00      35.804     -28.337       7.468  808.715291   3.76 0.143 0.667 0.212 0.544     324.834     320.000       8.190    4 
+    440000       44000.00      31.092     -16.716      14.376  824.259685   9.12 0.143 0.600 0.164 1.117     282.079     320.000      11.151    4 
+    450000       45000.00      37.188     -19.597      17.591  841.239152   8.89 0.143 0.600 0.191 1.074     337.393     320.000      11.237    4 
+    460000       46000.00      37.039     -23.372      13.667  868.042267   7.07 0.143 0.600 0.255 0.578     336.037     320.000       9.912    4 
+    470000       47000.00      32.779     -14.353      18.427  874.001399   7.29 0.000 1.000 0.341 0.390     297.389     320.000      10.147    4 
+    480000       48000.00      39.338     -31.288       8.049  886.168914   5.18 0.286 0.500 0.358 0.654     356.892     320.000       8.330    4 
+    490000       49000.00      34.863     -22.592      12.272  907.780170   4.29 0.143 0.750 0.335 0.719     316.299     320.000       7.022    4 
+    500000       50000.00      32.283     -19.957      12.327  923.528265   4.26 0.143 0.714 0.578 0.620     292.892     320.000       7.848    4 
+    510000       51000.00      32.878     -26.927       5.951  981.581450   4.46 0.214 0.700 0.345 0.494     298.286     330.000       7.256    4 
+    520000       52000.00      38.627     -35.054       3.573  981.234971   4.51 0.286 0.600 0.359 0.368     350.441     330.000       7.553    4 
+    530000       53000.00      31.096     -21.342       9.754 1008.993643   5.56 0.214 0.625 0.205 0.967     282.120     330.000       7.963    4 
+    540000       54000.00      32.663     -25.759       6.904 1023.174307   4.62 0.214 0.500 0.303 0.882     296.336     330.000       8.103    4 
+    550000       55000.00      48.730     -15.786      32.944 1086.535801   5.46 0.143 0.818 0.393 0.594     442.108     330.000       7.013    4 
+    560000       56000.00      41.040     -16.754      24.286 1102.236267   5.47 0.143 0.750 0.506 1.057     372.336     330.000       7.193    4 
+    570000       57000.00      43.447     -28.746      14.702 1119.809947   6.82 0.214 0.667 0.268 0.757     394.178     330.000       6.886    4 
+    580000       58000.00      27.423     -31.829      -4.406 1169.951437   5.63 0.214 0.667 0.217 1.247     248.799     330.000       7.331    4 
+    590000       59000.00      27.100     -22.873       4.227 1186.956672   6.13 0.286 0.556 0.207 0.655     245.867     330.000       7.473    4 
+    600000       60000.00      37.170     -32.253       4.917 1203.212946   4.64 0.286 0.500 0.312 1.064     337.225     330.000       7.476    4 
+    610000       61000.00      32.965     -31.888       1.077 1185.844217   5.81 0.071 0.833 0.417 0.490     299.074     320.000       7.164    4 
+    620000       62000.00      30.790     -20.211      10.579 1210.259458   6.20 0.143 0.600 0.236 0.457     279.342     320.000       8.894    4 
+    630000       63000.00      35.187     -18.479      16.708 1220.486354   4.82 0.143 0.750 0.233 0.844     319.233     320.000       8.856    4 
+    640000       64000.00      39.033     -19.570      19.463 1255.629009   5.89 0.143 0.600 0.182 1.194     354.127     320.000       9.772    4 
+    650000       65000.00      36.667     -28.465       8.202 1263.820585   5.17 0.143 0.800 0.327 1.131     332.663     320.000       8.168    4 
+    660000       66000.00      41.662     -21.712      19.950 1277.863232   5.47 0.143 0.714 0.273 0.740     377.975     320.000       8.711    4 
+    670000       67000.00      35.052     -24.480      10.572 1291.219748   6.25 0.143 0.500 0.182 1.034     318.009     320.000       7.466    4 
+    680000       68000.00      33.503     -22.427      11.077 1323.259928   5.16 0.357 0.286 0.260 0.776     303.961     320.000       7.485    4 
+    690000       69000.00      43.687     -16.787      26.900 1342.030142   6.28 0.071 0.857 0.370 0.660     396.347     320.000       7.371    4 
+    700000       70000.00      36.867     -23.314      13.554 1347.281368   6.41 0.071 0.929 0.409 0.395     334.481     320.000       6.691    4 
+    710000       71000.00      51.350     -13.207      38.143 1514.151015   7.47 0.000 1.000 0.318 0.608     465.871     350.000       8.932    4 
+    720000       72000.00      44.204      -2.614      41.589 1546.198444   6.50 0.143 0.600 0.236 1.012     401.038     350.000      10.551    4 
+    730000       73000.00      41.327     -21.820      19.507 1604.256311   6.64 0.071 0.800 0.455 0.493     374.939     350.000       7.581    4 
+    740000       74000.00      32.182     -16.762      15.420 1641.686555   6.76 0.143 0.500 0.477 0.684     291.972     350.000       8.582    4 
+    750000       75000.00      30.154     -17.043      13.111 1655.566644   5.64 0.071 0.857 0.253 0.524     273.575     350.000       8.591    4 
+    760000       76000.00      38.904     -12.565      26.339 1679.112142   4.68 0.286 0.333 0.220 1.049     352.958     350.000       8.614    4 
+    770000       77000.00      40.389     -19.279      21.111 1708.439347   5.84 0.071 0.667 0.152 0.995     366.434     350.000       9.490    4 
+    780000       78000.00      40.191     -18.244      21.947 1748.729767   6.95 0.143 0.600 0.200 0.687     364.637     350.000       9.316    4 
+    790000       79000.00      42.207     -15.791      26.416 1774.890617   8.62 0.214 0.500 0.182 0.783     382.925     350.000      10.442    4 
+    800000       80000.00      33.447     -25.767       7.681 1829.802083   7.65 0.071 0.900 0.364 0.644     303.452     350.000       7.454    4 
+    810000       81000.00      45.652     -37.378       8.274 1798.900195   5.32 0.214 0.625 0.432 0.444     414.178     340.000       7.716    4 
+    820000       82000.00      39.513     -14.349      25.163 1851.027141   4.66 0.071 0.800 0.400 1.390     358.480     340.000       7.703    4 
+    830000       83000.00      28.414     -12.569      15.845 1859.761721   5.00 0.214 0.400 0.191 1.099     257.786     340.000       8.994    4 
+    840000       84000.00      29.244     -12.448      16.796 1879.870023   4.16 0.143 0.600 0.500 0.584     265.317     340.000       8.714    4 
+    850000       85000.00      36.828     -19.519      17.309 1892.303762   5.65 0.143 0.600 0.191 0.465     334.122     340.000       8.231    4 
+    860000       86000.00      37.593     -15.504      22.089 1918.555569   5.80 0.214 0.700 0.268 0.723     341.062     340.000       7.487    4 
+    870000       87000.00      39.410     -16.752      22.658 1932.958469   4.49 0.143 0.600 0.373 1.090     357.545     340.000       7.715    4 
+    880000       88000.00      31.055     -24.298       6.757 1940.065490   5.39 0.071 0.875 0.290 0.664     281.745     340.000       8.526    4 
+    890000       89000.00      37.799     -23.044      14.755 1955.601380   3.97 0.214 0.400 0.191 0.944     342.932     340.000       7.516    4 
+    900000       90000.00      35.220     -16.586      18.634 1975.861905   6.07 0.071 0.800 0.300 0.560     319.532     340.000       8.349    4 
+    910000       91000.00      41.449     -13.846      27.603 1922.398741   4.24 0.071 0.750 0.341 0.544     376.050     330.000       8.266    4 
+    920000       92000.00      39.170     -27.518      11.652 1936.747751   5.98 0.429 0.333 0.308 0.645     355.374     330.000       7.086    4 
+    930000       93000.00      34.901     -16.259      18.642 1969.013850   4.72 0.143 0.600 0.309 0.601     316.639     330.000       8.199    4 
+    940000       94000.00      33.296     -14.037      19.259 1991.262410   9.82 0.214 0.000 0.136 0.773     302.080     330.000      12.819    4 
+    950000       95000.00      43.146      -8.872      34.274 2023.483397   6.28 0.143 0.333 0.152 0.933     391.445     330.000      10.398    4 
+    960000       96000.00      35.745     -26.961       8.783 2058.079852   8.53 0.071 0.500 0.136 1.005     324.293     330.000      11.457    4 
+    970000       97000.00      41.672     -26.127      15.545 2075.086081   6.76 0.143 0.714 0.260 0.714     378.073     330.000       7.818    4 
+    980000       98000.00      41.724     -11.974      29.750 2116.860114   5.49 0.286 0.556 0.217 0.605     378.538     330.000       8.693    4 
+    990000       99000.00      27.219      -8.391      18.828 2156.673665   7.02 0.143 0.500 0.250 0.818     246.942     330.000       7.999    4 
+   1000000      100000.00      27.456     -29.793      -2.337 2170.502027   6.81 0.214 0.750 0.231 0.730     249.095     330.000       9.884    4 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB005.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB005.stat
index aa1bca1..6edf2ef 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB005.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB005.stat
@@ -1,101 +1,101 @@
          0           0.00      34.855      24.828      59.683    0.000000  12.87 0.000   NaN   NaN 0.708     316.222     300.000      15.552    5 
-     10000        1000.00      30.007     -25.323       4.683    2.911211   5.92 0.000 1.000 0.309 0.595     272.236     300.000       9.547    5 
-     20000        2000.00      35.079     -21.218      13.861   14.081416   7.04 0.071 0.750 0.216 0.804     318.254     300.000      10.103    5 
-     30000        3000.00      28.231     -24.200       4.031   35.976322   6.65 0.071 0.800 0.245 0.399     256.124     300.000      10.709    5 
-     40000        4000.00      34.107     -33.244       0.864   42.459922   4.88 0.143 0.857 0.299 0.535     309.439     300.000       7.429    5 
-     50000        5000.00      29.407     -33.697      -4.290   90.718161   3.67 0.214 0.727 0.335 0.624     266.797     300.000       7.070    5 
-     60000        6000.00      28.187     -28.823      -0.636   98.898738   4.21 0.143 0.800 0.209 0.718     255.727     300.000       7.734    5 
-     70000        7000.00      32.298     -31.117       1.182  130.641581   6.98 0.214 0.769 0.343 1.482     293.027     300.000       6.723    5 
-     80000        8000.00      31.385     -33.326      -1.941  158.116719   6.25 0.143 0.833 0.383 0.949     284.741     300.000       6.770    5 
-     90000        9000.00      32.758     -39.067      -6.309  166.971440   7.33 0.143 0.778 0.318 1.001     297.200     300.000       6.828    5 
-    100000       10000.00      35.198     -44.034      -8.836  201.153744   5.68 0.214 0.700 0.377 0.652     319.332     300.000       6.535    5 
-    110000       11000.00      41.158     -24.943      16.215  191.054444   4.95 0.357 0.615 0.378 1.116     373.403     290.000       6.626    5 
-    120000       12000.00      39.017     -38.966       0.051  195.647117   4.98 0.214 0.786 0.325 0.996     353.980     290.000       6.851    5 
-    130000       13000.00      31.224     -36.937      -5.713  210.265359   4.66 0.071 0.833 0.258 0.616     283.279     290.000       7.465    5 
-    140000       14000.00      31.741     -44.988     -13.247  216.536304   4.33 0.214 0.700 0.373 0.837     287.975     290.000       7.483    5 
-    150000       15000.00      34.582     -36.925      -2.343  232.246588   4.42 0.214 0.700 0.214 0.645     313.745     290.000       7.285    5 
-    160000       16000.00      29.451     -39.569     -10.118  241.976103   5.24 0.357 0.667 0.318 0.851     267.196     290.000       6.453    5 
-    170000       17000.00      37.573     -33.125       4.448  252.876743   3.82 0.357 0.500 0.359 0.536     340.882     290.000       7.491    5 
-    180000       18000.00      36.187     -43.297      -7.110  274.260192   4.38 0.286 0.500 0.267 0.780     328.310     290.000       7.460    5 
-    190000       19000.00      35.479     -42.500      -7.021  288.905690   4.10 0.357 0.667 0.348 0.717     321.882     290.000       7.523    5 
-    200000       20000.00      35.424     -43.076      -7.653  294.090424   5.73 0.143 0.833 0.242 1.183     321.382     290.000       8.468    5 
-    210000       21000.00      24.411     -46.560     -22.148  284.635873   4.54 0.214 0.727 0.231 1.415     221.472     280.000       7.753    5 
-    220000       22000.00      36.208     -44.920      -8.712  289.458842   4.85 0.143 0.867 0.339 1.434     328.498     280.000       7.674    5 
-    230000       23000.00      30.783     -45.725     -14.942  301.894479   4.76 0.143 0.846 0.364 0.584     279.279     280.000       6.964    5 
-    240000       24000.00      29.575     -42.965     -13.390  320.396760   4.69 0.214 0.727 0.248 0.880     268.319     280.000       7.157    5 
-    250000       25000.00      31.324     -39.513      -8.189  335.126343   4.64 0.286 0.636 0.355 0.738     284.190     280.000       7.132    5 
-    260000       26000.00      22.252     -42.013     -19.761  357.233516   3.77 0.214 0.727 0.256 0.412     201.883     280.000       7.326    5 
-    270000       27000.00      32.564     -46.303     -13.739  360.584547   5.38 0.286 0.600 0.241 0.711     295.435     280.000       6.841    5 
-    280000       28000.00      28.836     -49.813     -20.977  370.101467   5.39 0.357 0.583 0.235 0.504     261.617     280.000       7.211    5 
-    290000       29000.00      29.749     -42.672     -12.923  376.819426   4.61 0.357 0.643 0.305 0.883     269.899     280.000       7.025    5 
-    300000       30000.00      26.954     -45.316     -18.363  382.061268   5.11 0.071 0.875 0.284 0.618     244.537     280.000       7.031    5 
-    310000       31000.00      28.393     -49.460     -21.066  369.699226   3.93 0.214 0.727 0.264 0.707     257.600     270.000       7.003    5 
-    320000       32000.00      32.738     -48.406     -15.668  388.381250   4.15 0.214 0.700 0.173 1.097     297.020     270.000       7.061    5 
-    330000       33000.00      23.718     -37.864     -14.146  409.271147   4.05 0.286 0.600 0.223 0.642     215.182     270.000       7.160    5 
-    340000       34000.00      29.098     -45.296     -16.198  412.073537   3.46 0.286 0.714 0.266 0.642     263.995     270.000       7.074    5 
-    350000       35000.00      30.492     -56.895     -26.403  426.665982   4.01 0.357 0.545 0.219 1.011     276.638     270.000       6.880    5 
-    360000       36000.00      24.976     -42.145     -17.169  431.726534   4.07 0.286 0.667 0.284 0.791     226.596     270.000       6.681    5 
-    370000       37000.00      32.224     -55.267     -23.042  437.995374   3.78 0.286 0.714 0.214 0.829     292.356     270.000       6.829    5 
-    380000       38000.00      25.409     -45.815     -20.406  453.738554   4.07 0.357 0.583 0.292 0.548     230.520     270.000       6.911    5 
-    390000       39000.00      27.358     -48.406     -21.048  465.820919   4.14 0.214 0.625 0.369 1.032     248.206     270.000       7.471    5 
-    400000       40000.00      27.501     -39.135     -11.633  468.921943   5.21 0.214 0.727 0.252 0.563     249.508     270.000       6.784    5 
-    410000       41000.00      22.119     -54.942     -32.824  467.234356   4.94 0.429 0.455 0.273 0.246     200.672     260.000       6.995    5 
-    420000       42000.00      36.426     -50.880     -14.454  469.692951   5.71 0.286 0.636 0.236 0.964     330.477     260.000       7.288    5 
-    430000       43000.00      31.069     -41.453     -10.383  487.502982   4.88 0.357 0.615 0.297 0.643     281.878     260.000       6.591    5 
-    440000       44000.00      29.418     -50.414     -20.996  514.893899   4.95 0.071 0.889 0.354 0.731     266.895     260.000       6.966    5 
-    450000       45000.00      28.989     -45.812     -16.823  525.133188   5.33 0.286 0.667 0.258 0.631     263.006     260.000       6.740    5 
-    460000       46000.00      24.351     -46.727     -22.376  528.026828   4.92 0.214 0.700 0.227 0.537     220.923     260.000       6.751    5 
-    470000       47000.00      27.832     -54.563     -26.731  529.979265   4.70 0.357 0.615 0.364 0.954     252.510     260.000       6.964    5 
-    480000       48000.00      26.512     -49.687     -23.175  538.165377   4.21 0.571 0.429 0.282 0.282     240.532     260.000       6.916    5 
-    490000       49000.00      33.612     -53.357     -19.745  539.907083   5.21 0.500 0.533 0.230 0.616     304.942     260.000       6.910    5 
-    500000       50000.00      24.578     -52.759     -28.181  542.353385   4.62 0.143 0.857 0.331 0.623     222.983     260.000       6.889    5 
-    510000       51000.00      33.246     -40.367      -7.121  614.677586   5.89 0.214 0.769 0.269 0.627     301.625     280.000       6.762    5 
-    520000       52000.00      34.970     -39.132      -4.163  625.779648   6.02 0.143 0.818 0.318 0.427     317.262     280.000       6.919    5 
-    530000       53000.00      32.644     -53.229     -20.585  654.769382   6.01 0.143 0.833 0.314 0.735     296.165     280.000       7.025    5 
-    540000       54000.00      22.872     -45.544     -22.673  669.266273   5.36 0.143 0.818 0.360 0.673     207.505     280.000       6.967    5 
-    550000       55000.00      26.863     -42.510     -15.647  671.332374   6.15 0.286 0.714 0.260 0.944     243.713     280.000       6.985    5 
-    560000       56000.00      31.648     -46.381     -14.733  688.976045   5.84 0.143 0.846 0.325 0.523     287.129     280.000       6.691    5 
-    570000       57000.00      31.373     -45.794     -14.422  704.769480   5.70 0.286 0.750 0.335 0.985     284.629     280.000       6.724    5 
-    580000       58000.00      32.283     -46.628     -14.345  716.687889   6.31 0.357 0.545 0.207 0.610     292.889     280.000       7.109    5 
-    590000       59000.00      32.454     -38.888      -6.434  729.000369   5.59 0.214 0.769 0.318 0.638     294.439     280.000       7.069    5 
-    600000       60000.00      23.157     -44.839     -21.682  758.463285   4.49 0.357 0.615 0.297 0.411     210.093     280.000       7.259    5 
-    610000       61000.00      28.912     -49.996     -21.084  765.277084   6.12 0.286 0.714 0.279 0.674     262.308     280.000       6.669    5 
-    620000       62000.00      25.859     -47.999     -22.140  781.896813   4.61 0.214 0.750 0.292 0.421     234.603     280.000       6.973    5 
-    630000       63000.00      32.179     -46.291     -14.111  782.672724   4.30 0.214 0.667 0.227 0.422     291.948     280.000       7.503    5 
-    640000       64000.00      32.944     -51.846     -18.902  784.482427   5.52 0.214 0.750 0.273 1.079     298.888     280.000       6.579    5 
-    650000       65000.00      24.593     -44.600     -20.007  788.424463   6.06 0.286 0.636 0.260 0.822     223.122     280.000       6.737    5 
-    660000       66000.00      30.991     -46.752     -15.761  803.429213   5.76 0.286 0.500 0.301 0.443     281.166     280.000       7.017    5 
-    670000       67000.00      24.071     -45.572     -21.501  812.181161   5.16 0.214 0.750 0.227 0.597     218.383     280.000       7.028    5 
-    680000       68000.00      29.383     -39.613     -10.230  813.277424   3.99 0.214 0.750 0.205 0.781     266.575     280.000       7.314    5 
-    690000       69000.00      35.977     -48.477     -12.500  825.671584   4.30 0.214 0.750 0.288 0.977     326.399     280.000       7.507    5 
-    700000       70000.00      30.193     -49.110     -18.917  837.657949   4.26 0.286 0.692 0.357 0.601     273.922     280.000       6.899    5 
-    710000       71000.00      27.717     -53.737     -26.020  844.006907   4.06 0.214 0.812 0.375 0.500     251.466     280.000       6.670    5 
-    720000       72000.00      37.990     -44.382      -6.392  847.284084   4.34 0.214 0.812 0.321 0.631     344.668     280.000       6.596    5 
-    730000       73000.00      29.381     -41.007     -11.625  854.230664   4.07 0.357 0.688 0.310 0.371     266.564     280.000       6.725    5 
-    740000       74000.00      29.642     -52.866     -23.224  866.485840   5.39 0.214 0.824 0.321 0.362     268.929     280.000       6.551    5 
-    750000       75000.00      31.794     -50.424     -18.630  880.362697   4.59 0.214 0.727 0.281 0.735     288.454     280.000       7.233    5 
-    760000       76000.00      25.110     -43.904     -18.793  886.679423   4.54 0.286 0.636 0.314 1.596     227.814     280.000       7.068    5 
-    770000       77000.00      30.673     -42.218     -11.545  898.499139   4.55 0.357 0.615 0.399 0.670     278.282     280.000       6.658    5 
-    780000       78000.00      36.336     -51.316     -14.980  911.448126   3.91 0.429 0.667 0.288 0.744     329.660     280.000       6.631    5 
-    790000       79000.00      27.520     -52.004     -24.484  946.463644   4.29 0.214 0.769 0.374 0.510     249.672     280.000       6.638    5 
-    800000       80000.00      35.887     -48.608     -12.721  972.339399   4.46 0.357 0.667 0.285 0.552     325.588     280.000       6.618    5 
-    810000       81000.00      31.454     -41.152      -9.698 1058.062656   4.07 0.357 0.583 0.299 0.655     285.368     300.000       7.206    5 
-    820000       82000.00      29.136     -38.055      -8.920 1083.840053   5.45 0.357 0.667 0.327 0.684     264.332     300.000       6.888    5 
-    830000       83000.00      33.117     -37.900      -4.783 1102.260965   4.25 0.357 0.545 0.310 0.677     300.454     300.000       7.163    5 
-    840000       84000.00      33.982     -25.817       8.165 1151.960952   5.13 0.429 0.500 0.242 0.356     308.299     300.000       7.257    5 
-    850000       85000.00      35.369     -32.866       2.503 1168.789235   6.77 0.286 0.692 0.276 1.001     320.885     300.000       7.016    5 
-    860000       86000.00      32.331     -40.006      -7.675 1183.789193   5.68 0.214 0.750 0.288 0.405     293.327     300.000       8.028    5 
-    870000       87000.00      33.988     -35.322      -1.334 1201.539788   5.06 0.214 0.750 0.284 0.930     308.353     300.000       7.405    5 
-    880000       88000.00      38.634     -27.035      11.599 1203.200673   4.66 0.143 0.714 0.318 0.943     350.506     300.000       7.920    5 
-    890000       89000.00      33.178     -34.276      -1.099 1214.899664   4.49 0.286 0.500 0.290 0.711     301.005     300.000       8.804    5 
-    900000       90000.00      30.120     -35.863      -5.742 1227.528171   4.77 0.286 0.714 0.331 1.087     273.267     300.000       7.185    5 
-    910000       91000.00      36.371     -37.262      -0.891 1200.514932   4.09 0.143 0.714 0.357 1.177     329.978     290.000       7.640    5 
-    920000       92000.00      29.339     -34.600      -5.261 1230.079846   3.35 0.429 0.455 0.314 0.791     266.178     290.000       6.861    5 
-    930000       93000.00      34.201     -50.953     -16.752 1235.983462   2.77 0.357 0.545 0.326 0.757     310.285     290.000       6.984    5 
-    940000       94000.00      38.738     -45.473      -6.735 1242.708348   2.72 0.286 0.714 0.331 0.695     351.451     290.000       6.463    5 
-    950000       95000.00      34.250     -40.131      -5.881 1255.365328   1.73 0.357 0.545 0.281 0.464     310.734     290.000       6.748    5 
-    960000       96000.00      35.758     -29.362       6.396 1276.300435   3.39 0.143 0.778 0.278 1.266     324.418     290.000       6.802    5 
-    970000       97000.00      42.432     -39.165       3.267 1293.755777   3.97 0.143 0.833 0.265 1.188     384.965     290.000       7.034    5 
-    980000       98000.00      29.653     -29.882      -0.229 1309.563103   3.21 0.286 0.667 0.261 1.103     269.029     290.000       6.910    5 
-    990000       99000.00      31.183     -42.948     -11.765 1308.373225   2.81 0.286 0.667 0.235 0.817     282.910     290.000       6.941    5 
-   1000000      100000.00      25.678     -47.722     -22.044 1329.141155   3.25 0.357 0.545 0.306 0.395     232.962     290.000       7.022    5 
+     10000        1000.00      44.197     -36.339       7.858    6.782919   4.30 0.143 0.800 0.314 0.908     400.979     300.000       6.726    5 
+     20000        2000.00      35.847     -29.229       6.619   33.779266   5.70 0.071 0.800 0.573 1.332     325.226     300.000       7.193    5 
+     30000        3000.00      36.906     -29.953       6.953   48.795643   4.98 0.071 0.889 0.475 0.692     334.830     300.000       6.870    5 
+     40000        4000.00      34.158     -27.946       6.212   74.419152   4.00 0.286 0.600 0.327 0.966     309.903     300.000       7.165    5 
+     50000        5000.00      30.406     -35.508      -5.102   82.892062   3.87 0.286 0.714 0.321 1.012     275.859     300.000       7.013    5 
+     60000        6000.00      28.072     -40.772     -12.700  103.172375   4.16 0.286 0.556 0.333 0.326     254.682     300.000       7.125    5 
+     70000        7000.00      31.964     -42.155     -10.191  158.203990   4.07 0.286 0.714 0.266 0.635     289.992     300.000       6.905    5 
+     80000        8000.00      34.745     -47.519     -12.774  188.068731   3.79 0.286 0.714 0.357 0.585     315.228     300.000       6.521    5 
+     90000        9000.00      31.314     -33.860      -2.546  222.948457   2.94 0.214 0.400 0.164 0.449     284.100     300.000       7.671    5 
+    100000       10000.00      35.659     -38.559      -2.899  235.198415   2.67 0.429 0.571 0.295 0.493     323.520     300.000       7.059    5 
+    110000       11000.00      23.548     -40.651     -17.103  222.044660   4.23 0.500 0.500 0.406 0.425     213.642     290.000       6.961    5 
+    120000       12000.00      30.129     -39.552      -9.423  282.010754   3.76 0.357 0.643 0.344 0.798     273.345     290.000       7.070    5 
+    130000       13000.00      28.706     -36.278      -7.572  325.047043   3.74 0.429 0.571 0.351 0.621     260.437     290.000       6.523    5 
+    140000       14000.00      25.983     -37.804     -11.820  357.295994   2.90 0.286 0.692 0.395 0.638     235.735     290.000       6.807    5 
+    150000       15000.00      32.803     -43.653     -10.850  380.182576   4.44 0.357 0.615 0.311 1.106     297.602     290.000       6.992    5 
+    160000       16000.00      33.394     -44.998     -11.604  406.643144   6.88 0.286 0.692 0.220 1.387     302.965     290.000       7.163    5 
+    170000       17000.00      33.297     -40.926      -7.629  413.177221   7.02 0.429 0.538 0.220 0.743     302.088     290.000       7.671    5 
+    180000       18000.00      38.846     -32.948       5.898  439.647614   6.42 0.286 0.714 0.231 0.997     352.434     290.000       7.270    5 
+    190000       19000.00      39.157     -38.799       0.357  457.000598   7.16 0.143 0.750 0.205 0.783     355.250     290.000       7.174    5 
+    200000       20000.00      30.712     -38.084      -7.372  488.280233   6.48 0.286 0.500 0.233 0.467     278.632     290.000       6.943    5 
+    210000       21000.00      25.581     -31.209      -5.628  477.450276   5.37 0.214 0.500 0.265 0.438     232.080     280.000       7.470    5 
+    220000       22000.00      31.130     -39.826      -8.696  486.402759   5.39 0.357 0.688 0.378 0.780     282.427     280.000       6.838    5 
+    230000       23000.00      37.836     -39.931      -2.095  502.345344   6.61 0.214 0.500 0.303 0.611     343.271     280.000       7.091    5 
+    240000       24000.00      29.552     -48.001     -18.449  507.096104   4.08 0.286 0.714 0.370 0.481     268.113     280.000       6.822    5 
+    250000       25000.00      30.090     -37.471      -7.381  508.415600   5.87 0.071 0.889 0.318 0.482     272.990     280.000       6.815    5 
+    260000       26000.00      28.490     -42.062     -13.572  510.622920   3.81 0.214 0.769 0.339 0.596     258.477     280.000       6.909    5 
+    270000       27000.00      25.350     -38.264     -12.913  516.967755   3.65 0.214 0.800 0.224 0.631     229.992     280.000       6.939    5 
+    280000       28000.00      24.927     -46.999     -22.072  530.678696   3.85 0.286 0.692 0.217 1.093     226.149     280.000       6.954    5 
+    290000       29000.00      33.095     -43.733     -10.638  533.164094   4.13 0.143 0.867 0.321 0.449     300.251     280.000       7.410    5 
+    300000       30000.00      22.966     -41.639     -18.673  563.977567   3.44 0.143 0.846 0.262 0.663     208.362     280.000       6.887    5 
+    310000       31000.00      28.192     -30.430      -2.238  553.598349   5.61 0.286 0.667 0.341 0.614     255.770     270.000       6.662    5 
+    320000       32000.00      31.705     -47.954     -16.249  558.399395   5.32 0.286 0.636 0.310 0.573     287.644     270.000       7.199    5 
+    330000       33000.00      29.067     -42.952     -13.885  573.398433   3.84 0.429 0.400 0.305 0.484     263.711     270.000       7.643    5 
+    340000       34000.00      33.828     -46.113     -12.285  576.889248   4.50 0.357 0.643 0.263 0.545     306.905     270.000       6.825    5 
+    350000       35000.00      28.907     -56.958     -28.051  587.482983   3.94 0.286 0.667 0.246 0.923     262.259     270.000       6.987    5 
+    360000       36000.00      23.286     -52.250     -28.963  610.136369   3.76 0.286 0.667 0.205 0.463     211.265     270.000       7.043    5 
+    370000       37000.00      30.855     -41.759     -10.904  629.341645   4.81 0.429 0.455 0.347 0.611     279.934     270.000       6.995    5 
+    380000       38000.00      31.603     -52.489     -20.886  640.106526   5.08 0.357 0.545 0.240 0.614     286.718     270.000       6.734    5 
+    390000       39000.00      25.604     -48.922     -23.317  640.019210   4.66 0.286 0.692 0.199 0.588     232.297     270.000       7.077    5 
+    400000       40000.00      29.835     -47.242     -17.407  642.310984   4.44 0.286 0.636 0.281 1.106     270.681     270.000       6.936    5 
+    410000       41000.00      24.987     -47.207     -22.220  654.968088   6.35 0.214 0.786 0.328 0.338     226.696     270.000       6.950    5 
+    420000       42000.00      30.576     -54.450     -23.874  658.557529   4.63 0.429 0.571 0.390 0.796     277.401     270.000       6.830    5 
+    430000       43000.00      27.162     -45.300     -18.137  668.757643   5.14 0.214 0.800 0.336 0.378     246.432     270.000       6.822    5 
+    440000       44000.00      26.319     -44.204     -17.885  676.947265   6.37 0.214 0.786 0.234 0.844     238.779     270.000       6.650    5 
+    450000       45000.00      31.197     -56.669     -25.472  696.354232   5.98 0.357 0.750 0.307 0.822     283.034     270.000       6.563    5 
+    460000       46000.00      33.087     -52.498     -19.411  703.017001   5.27 0.214 0.769 0.343 0.899     300.180     270.000       6.746    5 
+    470000       47000.00      28.563     -42.968     -14.404  706.369630   4.62 0.214 0.727 0.281 0.408     259.141     270.000       7.247    5 
+    480000       48000.00      34.348     -49.422     -15.074  707.643739   5.51 0.286 0.667 0.314 0.531     311.626     270.000       6.631    5 
+    490000       49000.00      25.153     -57.018     -31.865  707.940783   7.31 0.286 0.667 0.242 0.963     228.205     270.000       7.177    5 
+    500000       50000.00      26.863     -47.598     -20.735  711.167610   6.30 0.214 0.750 0.216 0.525     243.715     270.000       7.230    5 
+    510000       51000.00      24.105     -45.198     -21.094  711.904379   5.47 0.143 0.846 0.287 0.533     218.691     270.000       6.878    5 
+    520000       52000.00      33.870     -55.040     -21.171  711.669149   6.11 0.143 0.875 0.287 0.707     307.286     270.000       7.450    5 
+    530000       53000.00      32.001     -46.768     -14.767  715.005116   6.29 0.214 0.700 0.182 0.688     290.332     270.000       7.377    5 
+    540000       54000.00      28.558     -45.433     -16.875  719.607768   2.65 0.500 0.533 0.270 0.724     259.097     270.000       6.527    5 
+    550000       55000.00      24.938     -51.332     -26.393  736.937176   2.59 0.571 0.429 0.234 0.467     226.254     270.000       6.858    5 
+    560000       56000.00      28.886     -47.469     -18.582  737.973065   3.14 0.429 0.600 0.282 0.445     262.073     270.000       6.446    5 
+    570000       57000.00      33.194     -43.925     -10.731  743.495745   1.54 0.214 0.700 0.227 0.840     301.154     270.000       7.284    5 
+    580000       58000.00      25.642     -55.024     -29.382  752.802917   2.25 0.357 0.722 0.265 0.406     232.637     270.000       6.397    5 
+    590000       59000.00      29.653     -45.854     -16.201  755.062910   2.81 0.357 0.545 0.231 0.456     269.027     270.000       6.750    5 
+    600000       60000.00      41.192     -54.508     -13.316  760.694265   2.68 0.500 0.533 0.285 0.704     373.712     270.000       6.569    5 
+    610000       61000.00      28.742     -57.962     -29.220  730.357928   3.18 0.500 0.562 0.295 0.644     260.766     260.000       6.668    5 
+    620000       62000.00      32.816     -52.113     -19.297  737.159760   2.84 0.429 0.625 0.310 1.019     297.723     260.000       6.496    5 
+    630000       63000.00      28.779     -52.216     -23.436  739.375311   2.91 0.357 0.643 0.289 0.769     261.099     260.000       6.643    5 
+    640000       64000.00      30.379     -46.400     -16.021  749.546443   2.46 0.429 0.625 0.270 0.772     275.616     260.000       6.583    5 
+    650000       65000.00      25.318     -51.232     -25.914  757.766482   2.02 0.500 0.462 0.238 0.496     229.699     260.000       7.073    5 
+    660000       66000.00      24.318     -60.518     -36.200  773.272788   3.17 0.357 0.545 0.252 0.593     220.629     260.000       6.653    5 
+    670000       67000.00      27.138     -50.949     -23.811  772.673222   2.48 0.571 0.579 0.289 0.586     246.210     260.000       6.495    5 
+    680000       68000.00      32.858     -59.300     -26.442  786.965018   1.86 0.571 0.467 0.267 0.555     298.108     260.000       6.775    5 
+    690000       69000.00      27.897     -51.420     -23.523  788.145335   2.19 0.643 0.400 0.273 0.339     253.096     260.000       6.706    5 
+    700000       70000.00      25.002     -63.098     -38.096  793.197288   2.09 0.643 0.500 0.301 0.561     226.828     260.000       6.501    5 
+    710000       71000.00      31.037     -60.670     -29.633  774.218467   2.15 0.571 0.429 0.221 0.762     281.584     250.000       6.895    5 
+    720000       72000.00      29.272     -62.978     -33.706  782.470467   1.84 0.714 0.474 0.261 0.762     265.570     250.000       6.543    5 
+    730000       73000.00      31.965     -70.508     -38.542  781.999714   1.92 0.643 0.438 0.278 0.524     290.005     250.000       6.809    5 
+    740000       74000.00      32.402     -54.979     -22.577  784.000274   2.80 0.643 0.471 0.297 1.074     293.970     250.000       6.489    5 
+    750000       75000.00      26.038     -61.752     -35.714  791.976566   1.89 0.714 0.474 0.299 0.756     236.228     250.000       6.561    5 
+    760000       76000.00      32.909     -48.235     -15.326  794.564298   2.24 0.571 0.500 0.250 0.346     298.570     250.000       6.549    5 
+    770000       77000.00      24.201     -67.112     -42.911  794.569031   2.12 0.643 0.471 0.230 0.597     219.563     250.000       6.493    5 
+    780000       78000.00      26.704     -55.950     -29.246  802.964934   2.35 0.500 0.500 0.273 1.141     242.272     250.000       6.318    5 
+    790000       79000.00      24.713     -60.718     -36.005  803.880927   2.87 0.357 0.706 0.388 0.897     224.207     250.000       6.283    5 
+    800000       80000.00      27.339     -49.554     -22.215  812.453047   2.92 0.286 0.714 0.276 0.827     248.033     250.000       6.558    5 
+    810000       81000.00      29.401     -43.454     -14.054  942.264828   2.81 0.214 0.786 0.318 0.361     266.740     280.000       6.850    5 
+    820000       82000.00      28.221     -47.456     -19.235  949.370887   2.31 0.500 0.562 0.222 0.563     256.034     280.000       6.946    5 
+    830000       83000.00      31.570     -43.115     -11.545  951.226610   3.03 0.286 0.667 0.299 1.443     286.420     280.000       6.681    5 
+    840000       84000.00      31.969     -41.079      -9.110  959.345613   3.56 0.429 0.571 0.325 0.985     290.039     280.000       7.121    5 
+    850000       85000.00      40.460     -43.660      -3.200  989.884974   6.91 0.286 0.636 0.227 0.954     367.070     280.000       7.194    5 
+    860000       86000.00      39.868     -39.893      -0.025 1026.739068   5.63 0.357 0.688 0.253 0.652     361.704     280.000       6.933    5 
+    870000       87000.00      23.854     -46.348     -22.494 1039.100922   5.19 0.286 0.714 0.237 0.593     216.415     280.000       7.356    5 
+    880000       88000.00      24.013     -39.469     -15.456 1058.191525   6.82 0.357 0.615 0.213 0.224     217.857     280.000       7.757    5 
+    890000       89000.00      35.617     -53.212     -17.595 1080.070290   6.95 0.357 0.615 0.241 0.833     323.137     280.000       7.406    5 
+    900000       90000.00      32.342     -40.145      -7.803 1085.661244   6.93 0.286 0.714 0.224 0.587     293.423     280.000       7.200    5 
+    910000       91000.00      26.627     -46.925     -20.298 1055.937551   6.65 0.357 0.615 0.210 0.426     241.575     270.000       7.291    5 
+    920000       92000.00      24.111     -43.023     -18.912 1058.532495   4.41 0.357 0.667 0.367 0.787     218.746     270.000       6.686    5 
+    930000       93000.00      27.112     -49.826     -22.714 1069.743974   3.78 0.214 0.625 0.199 0.367     245.978     270.000       7.129    5 
+    940000       94000.00      27.760     -39.103     -11.343 1085.133996   3.17 0.357 0.667 0.324 0.427     251.853     270.000       6.718    5 
+    950000       95000.00      27.194     -53.257     -26.063 1097.020209   3.19 0.214 0.812 0.324 0.469     246.715     270.000       6.592    5 
+    960000       96000.00      27.334     -55.772     -28.438 1104.568716   3.12 0.357 0.643 0.305 1.056     247.986     270.000       6.648    5 
+    970000       97000.00      26.402     -56.349     -29.947 1127.096998   3.01 0.286 0.714 0.377 0.573     239.534     270.000       6.613    5 
+    980000       98000.00      25.459     -51.942     -26.483 1126.707503   3.08 0.214 0.769 0.336 1.213     230.977     270.000       6.776    5 
+    990000       99000.00      37.862     -53.759     -15.898 1133.686357   3.11 0.286 0.692 0.336 1.021     343.501     270.000       6.697    5 
+   1000000      100000.00      28.626     -51.041     -22.415 1146.358167   3.39 0.429 0.667 0.321 0.744     259.709     270.000       6.554    5 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB006.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB006.stat
index 6a21d1d..a417028 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB006.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB006.stat
@@ -1,101 +1,101 @@
          0           0.00      36.915      24.771      61.686    0.000000  12.87 0.000   NaN   NaN 0.707     334.911     310.000      15.552    6 
-     10000        1000.00      34.189     -21.781      12.408   14.821390   6.52 0.000 1.000 0.312 1.101     310.178     310.000       8.609    6 
-     20000        2000.00      34.486     -26.938       7.548   25.606269   6.48 0.000 1.000 0.345 0.538     312.877     310.000       7.690    6 
-     30000        3000.00      32.069     -16.714      15.356   34.492237   5.21 0.143 0.667 0.288 0.419     290.948     310.000       8.580    6 
-     40000        4000.00      40.703     -23.265      17.438   84.271136   8.05 0.143 0.333 0.152 0.665     369.279     310.000      10.388    6 
-     50000        5000.00      34.502     -25.577       8.924   93.620975   8.75 0.286 0.500 0.165 0.639     313.017     310.000      11.532    6 
-     60000        6000.00      38.564     -24.083      14.481  138.306099   5.82 0.214 0.400 0.164 1.426     349.873     310.000       9.525    6 
-     70000        7000.00      41.913     -33.610       8.304  149.560807   4.49 0.071 0.889 0.404 0.680     380.258     310.000       7.583    6 
-     80000        8000.00      30.401     -33.199      -2.799  174.294392   3.83 0.214 0.700 0.332 0.559     275.811     310.000       7.378    6 
-     90000        9000.00      30.910     -36.806      -5.896  190.396777   3.27 0.357 0.545 0.277 0.509     280.430     310.000       6.705    6 
-    100000       10000.00      32.578     -30.860       1.718  220.077792   5.01 0.143 0.800 0.377 0.733     295.565     310.000       6.980    6 
-    110000       11000.00      37.237     -29.587       7.650  228.134884   3.04 0.357 0.583 0.402 1.096     337.835     310.000       6.743    6 
-    120000       12000.00      31.224     -37.672      -6.448  243.138631   4.22 0.214 0.625 0.188 0.690     283.280     310.000       7.749    6 
-    130000       13000.00      32.197     -28.708       3.489  264.186644   3.67 0.357 0.615 0.325 0.576     292.104     310.000       6.912    6 
-    140000       14000.00      31.689     -33.519      -1.830  289.116804   3.40 0.357 0.583 0.261 1.209     287.500     310.000       6.861    6 
-    150000       15000.00      33.032     -30.715       2.316  295.411617   4.33 0.357 0.615 0.392 0.599     299.681     310.000       6.960    6 
-    160000       16000.00      42.663     -37.924       4.739  298.403625   2.31 0.286 0.667 0.288 1.055     387.061     310.000       6.623    6 
-    170000       17000.00      32.897     -28.529       4.368  313.023037   2.74 0.143 0.778 0.379 1.042     298.462     310.000       7.692    6 
-    180000       18000.00      36.713     -40.447      -3.735  320.961480   3.47 0.214 0.727 0.335 0.780     333.075     310.000       6.840    6 
-    190000       19000.00      33.011     -36.677      -3.666  335.024625   3.74 0.286 0.600 0.236 0.592     299.490     310.000       6.881    6 
-    200000       20000.00      39.440     -33.523       5.917  346.542383   5.60 0.357 0.545 0.194 0.934     357.819     310.000       7.235    6 
-    210000       21000.00      34.850     -34.513       0.337  342.970917   5.31 0.143 0.714 0.214 0.465     316.177     300.000       8.112    6 
-    220000       22000.00      28.308     -44.766     -16.458  371.159821   5.70 0.214 0.700 0.218 0.396     256.823     300.000       7.651    6 
-    230000       23000.00      37.529     -35.904       1.625  388.311336   3.69 0.286 0.600 0.195 0.698     340.478     300.000       7.497    6 
-    240000       24000.00      39.359     -46.272      -6.912  388.178828   4.62 0.214 0.750 0.311 0.841     357.089     300.000       6.694    6 
-    250000       25000.00      32.990     -41.475      -8.486  420.414544   4.73 0.286 0.692 0.332 1.420     299.301     300.000       6.835    6 
-    260000       26000.00      33.813     -45.696     -11.884  441.922647   3.97 0.357 0.643 0.344 0.607     306.766     300.000       6.638    6 
-    270000       27000.00      36.609     -40.680      -4.071  460.440108   3.37 0.286 0.692 0.339 0.999     332.135     300.000       7.099    6 
-    280000       28000.00      32.262     -35.141      -2.878  482.864623   3.45 0.286 0.636 0.351 0.699     292.699     300.000       7.514    6 
-    290000       29000.00      27.368     -35.954      -8.586  491.434264   3.51 0.357 0.667 0.370 1.369     248.300     300.000       6.405    6 
-    300000       30000.00      29.543     -44.719     -15.176  493.604904   2.78 0.500 0.533 0.345 0.601     268.034     300.000       6.862    6 
-    310000       31000.00      25.667     -46.506     -20.839  511.661789   3.46 0.357 0.615 0.269 0.889     232.863     290.000       6.742    6 
-    320000       32000.00      33.502     -43.594     -10.092  525.490151   2.75 0.286 0.692 0.294 0.794     303.946     290.000       6.886    6 
-    330000       33000.00      28.842     -33.776      -4.935  534.893319   3.96 0.357 0.583 0.417 0.779     261.665     290.000       7.130    6 
-    340000       34000.00      29.549     -34.489      -4.940  542.491852   4.01 0.357 0.500 0.286 0.866     268.083     290.000       7.759    6 
-    350000       35000.00      28.332     -40.657     -12.324  550.149018   3.56 0.429 0.400 0.195 1.130     257.047     290.000       7.849    6 
-    360000       36000.00      36.050     -24.702      11.347  559.023661   4.49 0.143 0.600 0.145 1.050     327.060     290.000       8.075    6 
-    370000       37000.00      30.377     -27.863       2.513  563.970261   4.44 0.143 0.714 0.234 0.788     275.593     290.000       7.566    6 
-    380000       38000.00      38.078     -32.643       5.435  591.784120   5.11 0.071 0.800 0.218 0.661     345.465     290.000       8.419    6 
-    390000       39000.00      35.234     -31.578       3.655  603.427860   7.75 0.143 0.600 0.145 0.613     319.658     290.000      11.366    6 
-    400000       40000.00      30.293     -36.500      -6.206  620.820469   6.02 0.571 0.385 0.196 0.559     274.838     290.000       7.462    6 
-    410000       41000.00      36.636     -44.752      -8.116  623.051044   7.97 0.429 0.538 0.192 1.188     332.382     280.000       9.027    6 
-    420000       42000.00      31.411     -36.932      -5.521  641.215782   6.57 0.214 0.667 0.192 1.232     284.981     280.000       8.932    6 
-    430000       43000.00      34.444     -43.282      -8.837  649.839539   4.59 0.071 0.800 0.318 0.636     312.495     280.000       7.828    6 
-    440000       44000.00      26.843     -43.587     -16.744  658.835493   7.23 0.286 0.500 0.193 0.732     243.530     280.000       9.202    6 
-    450000       45000.00      33.464     -47.427     -13.963  661.492426   6.23 0.286 0.556 0.227 0.723     303.603     280.000       8.530    6 
-    460000       46000.00      29.545     -28.149       1.396  681.124365   6.05 0.214 0.571 0.182 1.102     268.045     280.000       8.370    6 
-    470000       47000.00      29.981     -25.611       4.370  689.338593   6.59 0.214 0.667 0.187 0.466     271.999     280.000       9.820    6 
-    480000       48000.00      33.323     -29.623       3.700  708.085166   6.80 0.071 0.875 0.244 0.898     302.321     280.000       8.688    6 
-    490000       49000.00      32.732     -46.222     -13.490  717.904282   3.33 0.214 0.700 0.341 0.521     296.959     280.000       6.648    6 
-    500000       50000.00      28.239     -48.441     -20.202  730.161009   3.07 0.429 0.500 0.311 0.953     256.199     280.000       7.251    6 
-    510000       51000.00      25.926     -54.886     -28.961  707.400943   3.64 0.429 0.571 0.344 0.518     235.212     270.000       6.265    6 
-    520000       52000.00      32.990     -51.526     -18.536  714.649870   2.62 0.286 0.692 0.325 0.837     299.301     270.000       6.677    6 
-    530000       53000.00      33.062     -53.259     -20.196  716.335330   3.06 0.286 0.636 0.343 0.701     299.960     270.000       6.893    6 
-    540000       54000.00      33.803     -41.289      -7.486  744.637519   2.94 0.286 0.667 0.341 0.313     306.676     270.000       6.729    6 
-    550000       55000.00      31.626     -42.614     -10.988  763.516474   3.92 0.214 0.727 0.219 0.727     286.929     270.000       7.224    6 
-    560000       56000.00      30.069     -50.169     -20.099  768.879202   3.91 0.286 0.636 0.302 0.504     272.806     270.000       6.884    6 
-    570000       57000.00      26.594     -40.470     -13.875  781.724709   3.14 0.214 0.769 0.332 0.583     241.275     270.000       6.679    6 
-    580000       58000.00      26.662     -46.297     -19.634  794.408242   4.01 0.357 0.706 0.340 0.834     241.896     270.000       6.647    6 
-    590000       59000.00      24.258     -45.126     -20.869  801.639311   2.80 0.429 0.667 0.321 0.564     220.077     270.000       6.535    6 
-    600000       60000.00      29.066     -52.603     -23.537  809.614310   2.33 0.500 0.588 0.350 0.607     263.698     270.000       6.558    6 
-    610000       61000.00      29.104     -53.334     -24.230  811.799827   3.58 0.357 0.688 0.335 0.420     264.048     270.000       6.286    6 
-    620000       62000.00      28.079     -45.075     -16.996  823.592810   2.21 0.500 0.588 0.273 0.594     254.746     270.000       6.724    6 
-    630000       63000.00      26.553     -48.558     -22.005  831.743957   2.58 0.357 0.583 0.273 0.843     240.901     270.000       6.822    6 
-    640000       64000.00      29.472     -45.080     -15.608  836.478681   2.67 0.643 0.357 0.250 0.457     267.385     270.000       6.464    6 
-    650000       65000.00      24.827     -58.952     -34.125  840.423925   1.73 0.571 0.467 0.333 0.426     225.243     270.000       6.876    6 
-    660000       66000.00      26.649     -45.924     -19.274  858.756132   1.70 0.500 0.562 0.250 0.587     241.777     270.000       6.624    6 
-    670000       67000.00      24.010     -60.139     -36.129  869.719069   2.87 0.643 0.550 0.307 0.808     217.827     270.000       6.238    6 
-    680000       68000.00      32.587     -52.798     -20.211  872.005845   1.96 0.286 0.667 0.314 0.797     295.647     270.000       6.900    6 
-    690000       69000.00      33.843     -41.918      -8.075  879.697641   2.87 0.357 0.500 0.182 0.849     307.043     270.000       7.055    6 
-    700000       70000.00      30.705     -47.779     -17.074  881.934743   4.71 0.357 0.444 0.172 0.736     278.571     270.000       8.430    6 
-    710000       71000.00      19.594     -41.975     -22.381  888.285412   6.37 0.357 0.615 0.203 0.917     177.768     270.000       7.357    6 
-    720000       72000.00      27.660     -47.586     -19.926  909.295821   4.33 0.286 0.692 0.311 0.496     250.942     270.000       6.753    6 
-    730000       73000.00      28.052     -52.963     -24.911  913.866810   4.51 0.286 0.714 0.312 0.906     254.506     270.000       6.579    6 
-    740000       74000.00      29.684     -48.490     -18.806  923.294422   4.87 0.143 0.818 0.318 0.708     269.307     270.000       6.643    6 
-    750000       75000.00      34.819     -49.482     -14.663  927.019942   4.83 0.286 0.667 0.242 0.673     315.899     270.000       6.792    6 
-    760000       76000.00      32.770     -43.094     -10.324  936.706520   5.20 0.214 0.750 0.367 0.610     297.307     270.000       6.704    6 
-    770000       77000.00      23.299     -40.351     -17.052  956.139881   4.80 0.357 0.545 0.260 0.323     211.377     270.000       7.037    6 
-    780000       78000.00      33.353     -44.750     -11.397  959.561514   5.66 0.143 0.778 0.313 0.562     302.595     270.000       6.877    6 
-    790000       79000.00      31.622     -52.535     -20.914  977.517384   5.67 0.143 0.800 0.332 0.482     286.888     270.000       6.572    6 
-    800000       80000.00      28.277     -45.372     -17.095  984.160651   6.83 0.214 0.667 0.298 0.665     256.542     270.000       6.543    6 
-    810000       81000.00      26.636     -57.287     -30.651  941.406141   4.78 0.500 0.500 0.344 0.615     241.656     260.000       7.290    6 
-    820000       82000.00      26.968     -52.725     -25.758  951.313584   4.51 0.429 0.571 0.244 0.400     244.665     260.000       7.048    6 
-    830000       83000.00      24.825     -56.583     -31.759  963.962170   4.87 0.571 0.500 0.315 1.195     225.221     260.000       7.027    6 
-    840000       84000.00      30.313     -54.485     -24.172  968.542010   4.29 0.286 0.636 0.231 0.450     275.012     260.000       7.214    6 
-    850000       85000.00      21.203     -52.709     -31.507  968.967928   5.32 0.357 0.583 0.212 0.502     192.362     260.000       7.156    6 
-    860000       86000.00      25.852     -54.630     -28.778  969.938843   6.69 0.071 0.923 0.266 0.300     234.544     260.000       7.061    6 
-    870000       87000.00      27.069     -62.795     -35.726  982.966300   6.90 0.286 0.714 0.266 1.307     245.582     260.000       7.135    6 
-    880000       88000.00      27.740     -55.605     -27.865 1004.948899   6.70 0.214 0.750 0.220 0.389     251.675     260.000       7.101    6 
-    890000       89000.00      19.534     -59.050     -39.516 1009.000042   6.58 0.357 0.722 0.250 0.479     177.219     260.000       6.569    6 
-    900000       90000.00      25.178     -52.367     -27.189 1015.384907   7.12 0.214 0.800 0.239 0.853     228.426     260.000       7.199    6 
-    910000       91000.00      31.201     -44.178     -12.978 1115.204681   6.17 0.214 0.727 0.285 0.582     283.068     280.000       6.727    6 
-    920000       92000.00      35.781     -52.767     -16.985 1129.286172   6.20 0.143 0.867 0.309 0.611     324.625     280.000       6.663    6 
-    930000       93000.00      30.111     -39.208      -9.096 1133.896320   6.06 0.214 0.727 0.298 0.477     273.187     280.000       6.602    6 
-    940000       94000.00      27.949     -52.378     -24.429 1142.802023   5.95 0.143 0.846 0.325 0.779     253.567     280.000       6.653    6 
-    950000       95000.00      38.099     -44.596      -6.497 1159.331552   4.66 0.357 0.615 0.283 0.733     345.649     280.000       7.019    6 
-    960000       96000.00      40.148     -40.846      -0.699 1164.488884   4.23 0.286 0.692 0.304 0.692     364.240     280.000       7.204    6 
-    970000       97000.00      28.120     -46.080     -17.960 1178.464427   5.15 0.143 0.818 0.339 0.759     255.120     280.000       7.112    6 
-    980000       98000.00      35.518     -46.349     -10.831 1184.508148   4.60 0.214 0.769 0.353 0.445     322.237     280.000       6.924    6 
-    990000       99000.00      34.876     -42.755      -7.880 1190.299293   4.61 0.143 0.833 0.337 0.838     316.410     280.000       6.840    6 
-   1000000      100000.00      28.398     -48.104     -19.707 1191.361777   6.68 0.143 0.800 0.314 1.081     257.638     280.000       6.577    6 
+     10000        1000.00      35.536     -18.616      16.921   19.979374   9.42 0.000 1.000 0.250 0.513     322.404     310.000      13.420    6 
+     20000        2000.00      33.819     -15.682      18.138   54.985256   6.18 0.071 0.750 0.261 0.796     306.826     310.000       8.955    6 
+     30000        3000.00      32.521     -17.881      14.640   70.234607   3.91 0.214 0.571 0.305 0.543     295.048     310.000       8.290    6 
+     40000        4000.00      30.205     -15.986      14.219   83.867657   7.43 0.071 0.750 0.205 0.650     274.035     310.000      10.025    6 
+     50000        5000.00      32.521     -37.832      -5.311  105.556300   3.63 0.286 0.333 0.303 0.850     295.045     310.000       7.726    6 
+     60000        6000.00      26.175     -23.026       3.149  139.237681   3.81 0.214 0.571 0.182 0.455     237.473     310.000       7.655    6 
+     70000        7000.00      35.401     -29.857       5.544  141.713355   4.76 0.214 0.700 0.450 0.415     321.179     310.000       7.343    6 
+     80000        8000.00      28.678     -38.061      -9.383  162.080496   3.62 0.500 0.417 0.254 0.454     260.182     310.000       7.455    6 
+     90000        9000.00      31.789     -27.033       4.756  180.007049   3.65 0.143 0.600 0.291 0.890     288.407     310.000       8.308    6 
+    100000       10000.00      32.439     -27.606       4.833  203.934589   2.64 0.429 0.333 0.308 0.963     294.301     310.000       7.601    6 
+    110000       11000.00      42.992     -28.517      14.474  233.785934   4.21 0.357 0.545 0.331 1.221     390.045     330.000       7.922    6 
+    120000       12000.00      41.447     -34.129       7.318  277.292304   3.85 0.357 0.444 0.328 0.627     376.031     330.000       7.761    6 
+    130000       13000.00      37.965     -11.556      26.408  293.848653   4.13 0.214 0.571 0.279 0.808     344.435     330.000       7.575    6 
+    140000       14000.00      42.589     -31.335      11.254  313.692678   4.63 0.143 0.778 0.384 0.806     386.389     330.000       7.713    6 
+    150000       15000.00      37.511     -19.954      17.558  339.117572   4.34 0.071 0.857 0.338 1.469     340.324     330.000       6.761    6 
+    160000       16000.00      34.798     -23.029      11.769  353.532296   4.67 0.214 0.571 0.273 0.516     315.708     330.000       7.082    6 
+    170000       17000.00      39.100     -19.893      19.207  361.738598   5.06 0.143 0.667 0.364 0.948     354.732     330.000       7.165    6 
+    180000       18000.00      37.309     -16.425      20.884  384.208795   5.00 0.143 0.667 0.439 1.169     338.488     330.000       7.432    6 
+    190000       19000.00      33.700     -10.353      23.347  398.936679   9.20 0.286 0.333 0.144 0.493     305.742     330.000      12.438    6 
+    200000       20000.00      31.043     -28.987       2.056  433.698491   5.27 0.143 0.500 0.170 0.595     281.640     330.000       9.484    6 
+    210000       21000.00      19.448     -38.204     -18.756  438.912310   4.08 0.214 0.667 0.404 0.542     176.444     320.000       8.358    6 
+    220000       22000.00      37.764     -27.259      10.505  452.431877   4.70 0.071 0.667 0.152 0.574     342.618     320.000       8.047    6 
+    230000       23000.00      34.322     -26.172       8.149  465.857879   4.71 0.357 0.545 0.335 0.698     311.384     320.000       7.134    6 
+    240000       24000.00      29.556     -24.933       4.624  477.133941   3.59 0.214 0.667 0.253 0.551     268.150     320.000       7.498    6 
+    250000       25000.00      34.437     -26.371       8.066  520.075032   5.24 0.214 0.769 0.297 1.067     312.430     320.000       6.813    6 
+    260000       26000.00      29.613     -31.400      -1.787  531.802518   6.19 0.214 0.571 0.273 1.379     268.669     320.000       6.935    6 
+    270000       27000.00      32.575     -32.644      -0.069  560.540514   7.21 0.286 0.556 0.323 0.617     295.536     320.000       6.986    6 
+    280000       28000.00      41.406     -33.823       7.582  588.949386   5.14 0.214 0.750 0.311 0.404     375.652     320.000       7.090    6 
+    290000       29000.00      28.044     -30.734      -2.690  605.443352   5.04 0.286 0.600 0.355 0.445     254.433     320.000       7.110    6 
+    300000       30000.00      41.279     -30.681      10.598  626.785208   5.92 0.143 0.667 0.167 0.627     374.502     320.000       7.889    6 
+    310000       31000.00      36.479     -38.441      -1.962  645.914698   6.93 0.214 0.625 0.233 0.623     330.960     310.000       6.885    6 
+    320000       32000.00      37.629     -40.964      -3.335  669.944301   7.37 0.286 0.556 0.187 0.844     341.388     310.000       7.548    6 
+    330000       33000.00      49.951     -35.202      14.749  694.339989   6.22 0.286 0.667 0.227 0.948     453.186     310.000       7.767    6 
+    340000       34000.00      36.878     -28.833       8.045  702.244883   3.81 0.143 0.600 0.173 0.908     334.576     310.000       8.220    6 
+    350000       35000.00      35.952     -29.928       6.024  715.828326   6.50 0.214 0.571 0.175 1.339     326.179     310.000       9.163    6 
+    360000       36000.00      34.564     -28.999       5.565  731.743381   5.46 0.143 0.600 0.255 0.640     313.582     310.000       7.858    6 
+    370000       37000.00      37.123     -40.031      -2.908  743.491348   3.28 0.286 0.750 0.412 0.807     336.796     310.000       6.394    6 
+    380000       38000.00      41.792     -25.835      15.956  755.024366   2.98 0.500 0.533 0.403 0.752     379.156     310.000       6.798    6 
+    390000       39000.00      39.461     -28.411      11.050  806.911865   3.94 0.214 0.667 0.298 0.682     358.007     310.000       7.411    6 
+    400000       40000.00      29.957     -31.139      -1.182  833.183023   3.83 0.214 0.625 0.227 0.827     271.783     310.000       7.603    6 
+    410000       41000.00      28.144     -38.355     -10.211  810.929314   3.91 0.214 0.727 0.281 0.517     255.336     300.000       6.948    6 
+    420000       42000.00      34.136     -39.754      -5.618  821.195353   3.94 0.214 0.700 0.245 0.755     309.698     300.000       7.009    6 
+    430000       43000.00      29.450     -26.110       3.339  833.339248   2.89 0.286 0.636 0.219 1.199     267.184     300.000       6.997    6 
+    440000       44000.00      30.424     -32.048      -1.624  851.232308   2.84 0.357 0.615 0.199 0.735     276.021     300.000       7.069    6 
+    450000       45000.00      31.659     -40.218      -8.559  852.781730   3.77 0.357 0.444 0.217 0.694     287.230     300.000       7.116    6 
+    460000       46000.00      40.742     -25.428      15.314  875.252261   3.68 0.143 0.750 0.227 0.563     369.631     300.000       7.555    6 
+    470000       47000.00      28.416     -38.398      -9.982  894.036922   3.42 0.214 0.667 0.268 0.576     257.804     300.000       6.894    6 
+    480000       48000.00      28.004     -35.343      -7.339  910.340332   4.49 0.286 0.667 0.386 0.834     254.071     300.000       6.404    6 
+    490000       49000.00      37.836     -49.146     -11.310  914.780876   3.52 0.643 0.471 0.350 0.836     343.264     300.000       6.590    6 
+    500000       50000.00      31.417     -43.979     -12.562  920.632395   4.01 0.357 0.706 0.433 0.713     285.029     300.000       6.315    6 
+    510000       51000.00      29.446     -39.384      -9.938  890.730257   4.30 0.214 0.667 0.263 0.315     267.150     290.000       6.843    6 
+    520000       52000.00      29.943     -47.820     -17.877  908.742488   3.50 0.357 0.444 0.343 0.905     271.658     290.000       6.489    6 
+    530000       53000.00      33.548     -42.876      -9.328  933.799253   3.59 0.357 0.583 0.364 0.432     304.369     290.000       6.494    6 
+    540000       54000.00      31.874     -43.747     -11.872  948.067573   4.12 0.357 0.500 0.436 0.532     289.181     290.000       6.641    6 
+    550000       55000.00      43.608     -43.728      -0.120  985.838036   3.55 0.500 0.588 0.302 1.450     395.633     290.000       6.423    6 
+    560000       56000.00      33.184     -40.853      -7.669 1012.852631   3.61 0.429 0.538 0.357 0.527     301.064     290.000       6.474    6 
+    570000       57000.00      36.093     -43.452      -7.359 1024.980387   5.21 0.286 0.692 0.290 0.852     327.455     290.000       6.917    6 
+    580000       58000.00      33.508     -41.124      -7.617 1046.521738   4.90 0.286 0.667 0.235 0.908     304.001     290.000       6.861    6 
+    590000       59000.00      31.299     -42.091     -10.793 1048.761954   3.24 0.357 0.545 0.360 0.695     283.959     290.000       7.103    6 
+    600000       60000.00      29.843     -35.237      -5.394 1087.115308   2.60 0.357 0.545 0.364 0.715     270.750     290.000       6.655    6 
+    610000       61000.00      24.154     -52.512     -28.357 1051.726464   3.35 0.429 0.600 0.288 0.745     219.141     280.000       6.732    6 
+    620000       62000.00      29.346     -47.981     -18.635 1081.375638   2.46 0.500 0.611 0.306 0.765     266.241     280.000       6.626    6 
+    630000       63000.00      36.145     -48.123     -11.978 1092.878375   2.63 0.500 0.611 0.321 1.077     327.922     280.000       6.579    6 
+    640000       64000.00      25.073     -41.512     -16.439 1105.606303   3.76 0.357 0.667 0.309 0.782     227.477     280.000       6.816    6 
+    650000       65000.00      32.118     -52.524     -20.406 1112.625013   2.48 0.571 0.529 0.291 0.402     291.394     280.000       6.514    6 
+    660000       66000.00      22.595     -42.255     -19.660 1139.318717   2.80 0.429 0.500 0.265 0.552     204.994     280.000       6.783    6 
+    670000       67000.00      28.587     -41.322     -12.734 1152.315791   3.94 0.357 0.643 0.244 0.985     259.358     280.000       6.794    6 
+    680000       68000.00      33.630     -47.895     -14.265 1159.665959   2.64 0.429 0.600 0.315 0.582     305.111     280.000       6.634    6 
+    690000       69000.00      33.617     -53.978     -20.362 1164.185093   2.08 0.500 0.500 0.377 0.808     304.990     280.000       6.685    6 
+    700000       70000.00      25.081     -44.825     -19.744 1169.840783   2.87 0.500 0.500 0.224 0.560     227.547     280.000       6.787    6 
+    710000       71000.00      28.407     -44.664     -16.258 1197.397133   3.43 0.429 0.647 0.422 0.946     257.722     280.000       6.179    6 
+    720000       72000.00      36.846     -47.287     -10.441 1199.882050   3.50 0.214 0.727 0.339 0.680     334.290     280.000       6.688    6 
+    730000       73000.00      26.367     -50.226     -23.859 1203.886986   3.89 0.357 0.583 0.261 0.584     239.217     280.000       7.236    6 
+    740000       74000.00      31.421     -41.398      -9.978 1214.364240   4.26 0.214 0.727 0.248 0.706     285.065     280.000       6.924    6 
+    750000       75000.00      26.250     -49.071     -22.821 1226.379433   4.37 0.500 0.667 0.437 0.346     238.154     280.000       6.397    6 
+    760000       76000.00      33.817     -41.911      -8.094 1245.028783   3.79 0.357 0.688 0.423 0.478     306.802     280.000       6.377    6 
+    770000       77000.00      31.748     -50.168     -18.420 1268.205408   3.84 0.429 0.625 0.290 0.991     288.036     280.000       6.928    6 
+    780000       78000.00      23.837     -47.585     -23.747 1281.516691   3.75 0.500 0.500 0.370 0.718     216.265     280.000       6.395    6 
+    790000       79000.00      31.186     -58.452     -27.266 1289.791767   4.26 0.357 0.688 0.443 0.543     282.935     280.000       6.317    6 
+    800000       80000.00      29.944     -46.534     -16.590 1293.729944   3.84 0.286 0.714 0.373 0.566     271.668     280.000       6.374    6 
+    810000       81000.00      43.363     -54.738     -11.375 1243.913597   4.07 0.143 0.857 0.315 0.644     393.413     270.000       6.499    6 
+    820000       82000.00      29.613     -62.042     -32.429 1256.232218   2.75 0.429 0.700 0.302 0.783     268.663     270.000       6.478    6 
+    830000       83000.00      28.223     -52.212     -23.989 1263.661194   3.28 0.429 0.684 0.328 0.418     256.049     270.000       6.286    6 
+    840000       84000.00      33.140     -50.584     -17.445 1278.648393   2.80 0.429 0.571 0.328 0.945     300.659     270.000       7.089    6 
+    850000       85000.00      34.393     -53.356     -18.963 1292.666527   3.67 0.286 0.765 0.313 0.685     312.028     270.000       6.376    6 
+    860000       86000.00      30.895     -51.736     -20.841 1294.884756   4.27 0.357 0.722 0.412 1.048     280.295     270.000       6.615    6 
+    870000       87000.00      26.079     -58.050     -31.971 1302.716262   4.01 0.500 0.650 0.393 0.868     236.600     270.000       6.280    6 
+    880000       88000.00      21.164     -52.046     -30.882 1300.012872   3.67 0.357 0.643 0.360 0.956     192.009     270.000       6.444    6 
+    890000       89000.00      24.089     -57.906     -33.817 1309.629311   4.06 0.571 0.600 0.423 0.684     218.552     270.000       6.284    6 
+    900000       90000.00      24.875     -42.058     -17.183 1314.551737   2.72 0.357 0.615 0.311 0.550     225.681     270.000       6.562    6 
+    910000       91000.00      34.080     -46.642     -12.562 1430.706614   3.05 0.429 0.500 0.254 0.657     309.192     290.000       6.446    6 
+    920000       92000.00      47.135     -42.154       4.981 1447.802729   3.21 0.286 0.667 0.330 0.741     427.630     290.000       6.940    6 
+    930000       93000.00      33.484     -42.308      -8.824 1456.364737   3.81 0.286 0.636 0.306 0.701     303.785     290.000       6.676    6 
+    940000       94000.00      28.911     -33.697      -4.787 1468.422673   2.87 0.286 0.600 0.314 0.569     262.294     290.000       7.249    6 
+    950000       95000.00      27.921     -48.548     -20.627 1487.675076   3.82 0.357 0.500 0.350 0.546     253.310     290.000       6.742    6 
+    960000       96000.00      31.101     -44.311     -13.209 1490.903347   3.59 0.357 0.583 0.220 0.462     282.168     290.000       6.935    6 
+    970000       97000.00      27.445     -43.841     -16.396 1492.603642   3.63 0.214 0.769 0.367 0.720     248.994     290.000       6.868    6 
+    980000       98000.00      34.953     -45.720     -10.767 1550.160243   7.09 0.286 0.600 0.205 0.680     317.113     290.000       7.984    6 
+    990000       99000.00      40.198     -42.132      -1.934 1557.014087   7.15 0.286 0.667 0.231 0.710     364.695     290.000       7.765    6 
+   1000000      100000.00      35.128     -39.379      -4.251 1574.755781   6.93 0.357 0.615 0.206 0.551     318.699     290.000       7.371    6 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB007.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB007.stat
index 3a7f7cc..746a7f7 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB007.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB007.stat
@@ -1,101 +1,101 @@
          0           0.00      39.801      24.717      64.518    0.000000  12.87 0.000   NaN   NaN 0.706     361.091     320.000      15.552    7 
-     10000        1000.00      34.942     -15.567      19.375   22.320877   6.86 0.143 0.714 0.351 0.572     317.012     320.000       8.528    7 
-     20000        2000.00      27.647     -42.186     -14.539   62.797913   5.80 0.071 0.923 0.371 0.606     250.823     320.000       6.758    7 
-     30000        3000.00      39.272     -27.068      12.204   97.719358   6.78 0.214 0.400 0.173 0.855     356.298     320.000      10.338    7 
-     40000        4000.00      32.705     -25.722       6.983  104.955934   5.31 0.286 0.600 0.391 0.791     296.719     320.000       7.082    7 
-     50000        5000.00      39.626     -29.083      10.543  125.113264   4.44 0.143 0.667 0.227 0.984     359.504     320.000       7.472    7 
-     60000        6000.00      32.248     -27.282       4.966  150.203487   5.41 0.214 0.571 0.286 0.932     292.570     320.000       7.321    7 
-     70000        7000.00      38.743     -26.502      12.241  169.212964   4.39 0.143 0.667 0.250 1.165     351.494     320.000       7.827    7 
-     80000        8000.00      44.752     -17.140      27.613  201.022659   6.45 0.143 0.600 0.236 0.657     406.016     320.000       8.552    7 
-     90000        9000.00      31.367     -25.436       5.930  210.611425   4.94 0.214 0.727 0.298 0.411     284.575     320.000       8.013    7 
-    100000       10000.00      30.619     -25.298       5.320  224.913094   5.07 0.071 0.800 0.209 1.026     277.789     320.000       8.173    7 
-    110000       11000.00      33.255     -22.360      10.895  228.235285   4.39 0.143 0.667 0.250 0.671     301.705     320.000       7.518    7 
-    120000       12000.00      38.551     -25.632      12.919  249.470882   4.06 0.214 0.571 0.338 0.403     349.755     320.000       7.807    7 
-    130000       13000.00      39.699     -30.037       9.662  271.404263   4.77 0.214 0.727 0.351 0.813     360.170     320.000       7.111    7 
-    140000       14000.00      45.940     -27.323      18.617  287.739740   4.66 0.286 0.429 0.377 0.747     416.791     320.000       7.533    7 
-    150000       15000.00      35.031     -21.697      13.334  313.462667   4.40 0.143 0.750 0.301 1.042     317.820     320.000       7.677    7 
-    160000       16000.00      27.421     -30.217      -2.796  327.654205   5.53 0.071 0.875 0.415 0.424     248.774     320.000       6.874    7 
-    170000       17000.00      33.319     -28.461       4.858  341.429278   5.24 0.286 0.333 0.205 0.437     302.284     320.000       8.378    7 
-    180000       18000.00      37.753     -26.579      11.174  358.201928   4.43 0.214 0.571 0.195 0.613     342.513     320.000       7.360    7 
-    190000       19000.00      30.950     -23.722       7.228  376.451662   5.05 0.143 0.714 0.234 0.430     280.793     320.000       7.306    7 
-    200000       20000.00      40.126     -37.713       2.413  393.546078   4.30 0.143 0.750 0.290 0.511     364.042     320.000       7.284    7 
-    210000       21000.00      34.922     -26.549       8.373  383.155129   3.34 0.286 0.500 0.392 0.750     316.827     310.000       8.089    7 
-    220000       22000.00      34.159     -14.477      19.682  398.459161   4.11 0.286 0.429 0.240 1.037     309.907     310.000       7.806    7 
-    230000       23000.00      30.764     -31.990      -1.226  403.089281   4.93 0.286 0.692 0.350 1.148     279.110     310.000       6.690    7 
-    240000       24000.00      38.376     -30.049       8.327  410.263871   5.68 0.357 0.583 0.303 0.468     348.165     310.000       6.977    7 
-    250000       25000.00      31.292     -37.878      -6.586  436.205613   5.12 0.286 0.714 0.406 0.622     283.898     310.000       6.837    7 
-    260000       26000.00      31.956     -34.000      -2.044  447.155849   3.74 0.357 0.545 0.207 1.138     289.923     310.000       7.639    7 
-    270000       27000.00      36.299     -35.029       1.270  455.371124   5.71 0.143 0.833 0.345 0.865     329.321     310.000       6.906    7 
-    280000       28000.00      30.965     -39.598      -8.633  464.652766   5.54 0.214 0.727 0.343 0.445     280.929     310.000       7.099    7 
-    290000       29000.00      36.077     -29.979       6.097  480.802657   4.96 0.214 0.727 0.318 0.805     327.305     310.000       6.398    7 
-    300000       30000.00      34.642     -43.852      -9.210  494.790068   6.06 0.429 0.400 0.282 1.021     314.292     310.000       6.857    7 
-    310000       31000.00      28.141     -44.507     -16.366  491.452447   4.96 0.214 0.727 0.306 0.683     255.306     300.000       6.998    7 
-    320000       32000.00      28.591     -37.132      -8.542  519.531127   5.74 0.214 0.769 0.339 0.433     259.391     300.000       8.243    7 
-    330000       33000.00      28.341     -44.710     -16.369  530.264481   4.28 0.214 0.750 0.311 1.449     257.122     300.000       6.878    7 
-    340000       34000.00      31.809     -33.806      -1.997  530.261807   4.60 0.214 0.700 0.232 1.399     288.589     300.000       7.602    7 
-    350000       35000.00      37.910     -38.722      -0.813  543.886845   4.88 0.429 0.538 0.311 0.680     343.936     300.000       6.953    7 
-    360000       36000.00      35.620     -36.830      -1.210  551.506825   4.56 0.214 0.700 0.336 0.716     323.159     300.000       7.789    7 
-    370000       37000.00      28.977     -29.128      -0.151  569.166435   6.96 0.286 0.636 0.248 0.826     262.895     300.000       7.119    7 
-    380000       38000.00      34.469     -36.541      -2.072  571.681932   6.63 0.143 0.750 0.244 0.649     312.717     300.000       8.016    7 
-    390000       39000.00      32.042     -36.699      -4.656  589.415593   6.08 0.286 0.600 0.191 0.676     290.703     300.000       7.945    7 
-    400000       40000.00      28.015     -32.078      -4.063  592.067626   6.78 0.071 0.923 0.311 0.633     254.170     300.000       7.420    7 
-    410000       41000.00      32.115     -24.200       7.915  658.895630   5.24 0.286 0.500 0.409 0.724     291.367     320.000       6.910    7 
-    420000       42000.00      31.771     -26.344       5.427  699.322441   4.48 0.214 0.625 0.239 0.698     288.245     320.000       7.129    7 
-    430000       43000.00      36.119     -30.154       5.965  704.919795   3.57 0.143 0.846 0.402 1.099     327.694     320.000       7.034    7 
-    440000       44000.00      37.792     -38.026      -0.233  727.012533   4.08 0.214 0.800 0.445 1.181     342.872     320.000       6.846    7 
-    450000       45000.00      41.036     -22.985      18.051  737.720537   5.57 0.286 0.733 0.424 1.533     372.301     320.000       6.844    7 
-    460000       46000.00      40.298     -21.180      19.118  742.025477   5.12 0.143 0.750 0.278 0.856     365.600     320.000       6.994    7 
-    470000       47000.00      31.389     -12.133      19.256  770.420939   4.59 0.000 1.000 0.327 0.657     284.776     320.000       7.956    7 
-    480000       48000.00      33.656     -17.578      16.078  802.023160   6.74 0.214 0.500 0.303 0.869     305.347     320.000       7.470    7 
-    490000       49000.00      32.193     -30.359       1.834  825.414447   6.35 0.214 0.625 0.386 0.546     292.069     320.000       7.421    7 
-    500000       50000.00      40.913     -26.062      14.851  838.798358   6.56 0.214 0.750 0.288 0.488     371.180     320.000       7.268    7 
-    510000       51000.00      28.565     -27.351       1.215  824.992460   3.54 0.357 0.583 0.273 0.480     259.160     310.000       7.503    7 
-    520000       52000.00      23.859     -34.472     -10.613  839.813479   5.40 0.214 0.571 0.195 0.765     216.462     310.000       7.929    7 
-    530000       53000.00      33.912     -32.941       0.970  857.299033   4.98 0.357 0.583 0.398 0.607     307.663     310.000       6.820    7 
-    540000       54000.00      45.131     -36.502       8.629  871.679053   5.29 0.214 0.571 0.162 0.887     409.451     310.000       7.915    7 
-    550000       55000.00      36.568     -27.178       9.390  883.945542   7.05 0.286 0.333 0.144 0.555     331.766     310.000       9.519    7 
-    560000       56000.00      31.979     -37.471      -5.492  893.820390   6.66 0.214 0.727 0.223 0.726     290.131     310.000       7.430    7 
-    570000       57000.00      43.610     -24.792      18.818  902.969710   7.49 0.143 0.500 0.136 0.626     395.653     310.000      10.598    7 
-    580000       58000.00      31.512     -33.072      -1.560  908.559872   2.77 0.429 0.500 0.295 0.737     285.890     310.000       6.749    7 
-    590000       59000.00      36.725     -30.189       6.536  915.175044   3.35 0.357 0.286 0.169 1.291     333.188     310.000       8.257    7 
-    600000       60000.00      22.583     -30.813      -8.230  953.244368   7.25 0.214 0.727 0.211 0.778     204.881     310.000       6.939    7 
-    610000       61000.00      31.502     -45.899     -14.397  931.250609   6.62 0.286 0.692 0.206 0.856     285.803     300.000       7.333    7 
-    620000       62000.00      36.481     -31.605       4.876  951.812181   7.09 0.214 0.700 0.250 0.683     330.973     300.000       8.430    7 
-    630000       63000.00      31.649     -35.569      -3.920  972.909768   5.58 0.357 0.583 0.265 0.580     287.133     300.000       6.827    7 
-    640000       64000.00      30.586     -29.354       1.232  990.947559   5.20 0.214 0.625 0.256 1.347     277.488     300.000       7.541    7 
-    650000       65000.00      33.804     -42.629      -8.825 1006.261359   6.15 0.214 0.750 0.288 0.431     306.683     300.000       7.324    7 
-    660000       66000.00      35.845     -37.552      -1.707 1023.814961   4.43 0.143 0.778 0.333 1.036     325.202     300.000       7.621    7 
-    670000       67000.00      38.930     -29.652       9.278 1057.667235   5.60 0.071 0.917 0.341 0.890     353.197     300.000       6.823    7 
-    680000       68000.00      26.652     -40.056     -13.404 1091.591863   6.14 0.286 0.636 0.322 0.665     241.803     300.000       6.815    7 
-    690000       69000.00      33.195     -41.706      -8.511 1103.461296   5.32 0.143 0.750 0.273 1.039     301.161     300.000       7.069    7 
-    700000       70000.00      34.088     -40.737      -6.649 1119.511534   3.92 0.214 0.727 0.219 1.166     309.268     300.000       7.184    7 
-    710000       71000.00      28.337     -34.986      -6.649 1079.111471   4.90 0.357 0.643 0.299 0.567     257.089     290.000       7.072    7 
-    720000       72000.00      31.948     -40.611      -8.663 1094.207353   4.96 0.214 0.750 0.292 0.261     289.848     290.000       7.009    7 
-    730000       73000.00      28.978     -36.662      -7.684 1105.198753   5.48 0.143 0.875 0.330 0.446     262.903     290.000       6.470    7 
-    740000       74000.00      37.130     -40.011      -2.882 1120.984600   4.39 0.286 0.714 0.295 0.752     336.861     290.000       6.984    7 
-    750000       75000.00      38.584     -40.059      -1.475 1141.283707   4.41 0.286 0.600 0.318 0.947     350.054     290.000       7.329    7 
-    760000       76000.00      31.952     -37.207      -5.255 1154.066702   5.42 0.429 0.538 0.315 0.432     289.888     290.000       7.027    7 
-    770000       77000.00      34.823     -40.520      -5.697 1177.613120   5.12 0.286 0.636 0.401 0.475     315.936     290.000       7.055    7 
-    780000       78000.00      32.316     -37.983      -5.667 1199.411999   6.54 0.214 0.700 0.264 1.123     293.184     290.000       7.219    7 
-    790000       79000.00      34.887     -30.615       4.272 1234.806323   6.65 0.214 0.800 0.352 1.142     316.512     290.000       6.888    7 
-    800000       80000.00      33.239     -40.951      -7.712 1246.944600   4.71 0.357 0.545 0.277 0.895     301.561     290.000       6.844    7 
-    810000       81000.00      34.649     -37.213      -2.564 1237.442917   4.80 0.429 0.600 0.273 0.597     314.351     280.000       6.914    7 
-    820000       82000.00      29.978     -40.714     -10.735 1255.860241   4.89 0.286 0.636 0.269 0.810     271.980     280.000       6.919    7 
-    830000       83000.00      34.380     -43.602      -9.222 1271.974944   4.87 0.286 0.778 0.280 0.853     311.911     280.000       7.068    7 
-    840000       84000.00      32.356     -46.989     -14.633 1281.092132   4.87 0.214 0.786 0.308 0.547     293.547     280.000       6.478    7 
-    850000       85000.00      33.060     -54.180     -21.120 1302.748925   4.88 0.286 0.750 0.295 1.654     299.939     280.000       6.509    7 
-    860000       86000.00      33.346     -38.854      -5.508 1316.747725   4.53 0.143 0.778 0.212 0.953     302.534     280.000       7.066    7 
-    870000       87000.00      37.076     -46.528      -9.452 1330.193718   4.70 0.214 0.750 0.307 0.385     336.371     280.000       6.813    7 
-    880000       88000.00      26.750     -54.944     -28.194 1351.847992   5.51 0.286 0.667 0.345 0.476     242.691     280.000       6.820    7 
-    890000       89000.00      29.785     -48.689     -18.904 1370.865603   5.48 0.357 0.667 0.276 0.535     270.225     280.000       6.880    7 
-    900000       90000.00      31.118     -58.279     -27.161 1372.322900   5.92 0.214 0.824 0.273 0.493     282.316     280.000       6.635    7 
-    910000       91000.00      30.657     -51.198     -20.541 1328.559447   6.06 0.214 0.812 0.355 0.483     278.136     270.000       6.720    7 
-    920000       92000.00      33.605     -44.080     -10.476 1345.398457   5.56 0.143 0.867 0.327 0.507     304.878     270.000       6.934    7 
-    930000       93000.00      33.076     -50.538     -17.461 1354.321229   6.07 0.143 0.875 0.338 0.930     300.085     270.000       6.743    7 
-    940000       94000.00      33.555     -47.593     -14.039 1363.421242   5.91 0.357 0.667 0.309 0.622     304.426     270.000       6.809    7 
-    950000       95000.00      35.631     -49.922     -14.291 1373.684125   5.73 0.214 0.833 0.253 0.596     323.259     270.000       6.731    7 
-    960000       96000.00      29.352     -46.955     -17.603 1392.478627   5.84 0.214 0.769 0.336 0.503     266.300     270.000       6.772    7 
-    970000       97000.00      29.850     -49.336     -19.487 1402.960849   5.75 0.143 0.833 0.345 0.611     270.811     270.000       6.720    7 
-    980000       98000.00      33.546     -50.276     -16.730 1418.131871   6.10 0.143 0.833 0.239 0.777     304.350     270.000       6.609    7 
-    990000       99000.00      31.351     -56.776     -25.425 1428.340457   6.08 0.143 0.846 0.336 1.008     284.429     270.000       6.973    7 
-   1000000      100000.00      28.951     -57.179     -28.228 1436.862862   6.05 0.214 0.842 0.378 1.020     262.662     270.000       6.661    7 
+     10000        1000.00      41.842     -27.261      14.581   56.854524   3.77 0.071 0.889 0.359 0.713     379.611     320.000       6.593    7 
+     20000        2000.00      32.291     -28.950       3.341   66.555990   3.69 0.214 0.727 0.376 0.706     292.962     320.000       7.022    7 
+     30000        3000.00      34.389     -31.716       2.673   96.629973   3.40 0.214 0.667 0.354 0.492     311.998     320.000       6.843    7 
+     40000        4000.00      35.539     -34.920       0.620  125.299626   3.44 0.357 0.667 0.352 0.979     322.430     320.000       7.086    7 
+     50000        5000.00      30.350     -18.646      11.704  145.632969   4.11 0.214 0.400 0.164 0.388     275.347     320.000       9.003    7 
+     60000        6000.00      44.844     -20.779      24.065  157.046666   7.42 0.000 1.000 0.197 1.339     406.849     320.000       9.087    7 
+     70000        7000.00      32.666     -23.934       8.732  175.833863   5.95 0.214 0.700 0.395 1.281     296.363     320.000       7.095    7 
+     80000        8000.00      37.545     -31.048       6.497  179.147518   5.83 0.143 0.875 0.386 0.906     340.628     320.000       7.159    7 
+     90000        9000.00      34.869     -33.966       0.903  202.207510   4.93 0.214 0.800 0.315 1.107     316.350     320.000       7.370    7 
+    100000       10000.00      45.617     -28.425      17.191  242.626394   4.07 0.286 0.556 0.232 1.198     413.858     320.000       7.891    7 
+    110000       11000.00      24.519     -37.840     -13.321  238.759290   3.83 0.214 0.786 0.279 0.406     222.449     310.000       7.691    7 
+    120000       12000.00      35.429     -34.941       0.487  263.494581   5.67 0.286 0.692 0.308 0.770     321.426     310.000       7.053    7 
+    130000       13000.00      40.666     -31.379       9.287  275.599219   5.43 0.286 0.500 0.364 0.448     368.940     310.000       7.381    7 
+    140000       14000.00      33.803     -30.706       3.097  283.601843   5.98 0.286 0.500 0.386 0.510     306.678     310.000       7.364    7 
+    150000       15000.00      30.285     -30.916      -0.632  291.145089   5.23 0.357 0.375 0.284 0.773     274.757     310.000       8.642    7 
+    160000       16000.00      29.263     -32.658      -3.395  318.132727   5.63 0.143 0.750 0.227 0.574     265.491     310.000       7.693    7 
+    170000       17000.00      36.219     -32.085       4.133  328.354774   5.97 0.357 0.545 0.281 0.637     328.593     310.000       6.769    7 
+    180000       18000.00      30.867     -38.149      -7.282  368.285928   4.47 0.286 0.500 0.301 0.471     280.045     310.000       7.385    7 
+    190000       19000.00      41.331     -36.229       5.102  440.911315   6.32 0.286 0.636 0.368 0.789     374.979     310.000       7.275    7 
+    200000       20000.00      31.485     -25.370       6.115  456.197047   4.28 0.286 0.714 0.289 0.722     285.646     310.000       7.406    7 
+    210000       21000.00      33.878     -38.033      -4.155  441.752345   5.30 0.357 0.444 0.268 0.340     307.360     300.000       7.143    7 
+    220000       22000.00      22.260     -29.052      -6.792  445.902606   5.37 0.286 0.500 0.278 0.621     201.957     300.000       7.296    7 
+    230000       23000.00      34.711     -25.664       9.047  461.688607   5.14 0.286 0.556 0.253 0.378     314.915     300.000       6.925    7 
+    240000       24000.00      36.123     -39.640      -3.518  470.896869   5.43 0.286 0.692 0.329 0.861     327.723     300.000       6.765    7 
+    250000       25000.00      39.971     -29.369      10.602  480.969971   5.30 0.214 0.727 0.277 0.650     362.635     300.000       6.935    7 
+    260000       26000.00      33.912     -41.595      -7.683  492.300878   6.79 0.357 0.444 0.182 0.569     307.666     300.000       8.607    7 
+    270000       27000.00      33.263     -35.597      -2.335  506.341278   3.28 0.286 0.556 0.202 0.711     301.776     300.000       7.841    7 
+    280000       28000.00      37.825     -37.164       0.661  521.875811   6.40 0.357 0.643 0.237 0.862     343.166     300.000       7.260    7 
+    290000       29000.00      31.039     -38.428      -7.390  536.966297   3.45 0.429 0.571 0.328 0.601     281.598     300.000       6.948    7 
+    300000       30000.00      29.727     -36.315      -6.587  542.726017   4.35 0.286 0.733 0.439 0.726     269.702     300.000       6.403    7 
+    310000       31000.00      29.520     -45.954     -16.434  561.452575   3.61 0.429 0.600 0.367 0.787     267.822     300.000       6.646    7 
+    320000       32000.00      40.233     -37.866       2.366  570.479820   4.04 0.286 0.556 0.359 0.965     365.011     300.000       6.470    7 
+    330000       33000.00      34.040     -40.902      -6.862  572.044849   3.57 0.500 0.533 0.497 0.575     308.827     300.000       6.597    7 
+    340000       34000.00      34.222     -41.050      -6.829  589.217596   4.01 0.286 0.750 0.318 0.777     310.476     300.000       6.884    7 
+    350000       35000.00      32.040     -36.894      -4.854  635.181004   3.45 0.143 0.778 0.283 0.501     290.687     300.000       7.023    7 
+    360000       36000.00      29.608     -34.728      -5.120  651.352959   3.35 0.214 0.625 0.284 0.401     268.618     300.000       7.215    7 
+    370000       37000.00      24.673     -37.013     -12.340  666.622726   6.96 0.286 0.556 0.212 0.500     223.850     300.000       8.296    7 
+    380000       38000.00      33.511     -16.032      17.479  674.722626   6.87 0.357 0.444 0.212 0.699     304.031     300.000       8.158    7 
+    390000       39000.00      28.699     -38.438      -9.739  704.252808   4.30 0.214 0.769 0.304 1.382     260.377     300.000       7.025    7 
+    400000       40000.00      37.977     -36.239       1.738  720.171307   3.99 0.214 0.769 0.399 0.490     344.547     300.000       6.841    7 
+    410000       41000.00      32.200     -51.473     -19.273  713.310573   4.68 0.429 0.600 0.330 0.812     292.135     290.000       6.725    7 
+    420000       42000.00      36.042     -38.618      -2.576  728.026376   4.38 0.357 0.545 0.194 0.607     326.995     290.000       6.993    7 
+    430000       43000.00      28.367     -42.537     -14.170  742.276761   5.83 0.286 0.692 0.210 0.797     257.360     290.000       7.375    7 
+    440000       44000.00      34.779     -28.268       6.511  742.234939   7.13 0.357 0.545 0.219 0.702     315.530     290.000       7.498    7 
+    450000       45000.00      26.406     -23.320       3.086  755.584408   6.60 0.214 0.700 0.200 0.551     239.566     290.000       7.693    7 
+    460000       46000.00      35.468     -40.010      -4.541  767.498948   3.59 0.286 0.636 0.244 0.475     321.786     290.000       7.277    7 
+    470000       47000.00      32.872     -41.065      -8.193  771.987166   5.52 0.357 0.545 0.190 0.468     298.233     290.000       7.760    7 
+    480000       48000.00      42.819     -43.581      -0.762  786.211014   6.45 0.286 0.556 0.212 1.291     388.473     290.000       7.827    7 
+    490000       49000.00      32.411     -28.511       3.899  796.142395   6.47 0.286 0.692 0.224 1.371     294.048     290.000       7.364    7 
+    500000       50000.00      45.112     -32.680      12.432  800.976594   6.51 0.071 0.833 0.189 0.954     409.281     290.000       6.851    7 
+    510000       51000.00      27.450     -33.593      -6.143  901.785836   4.76 0.214 0.625 0.295 0.558     249.045     310.000       7.854    7 
+    520000       52000.00      44.527     -29.619      14.907  930.016243   6.35 0.286 0.333 0.152 1.321     403.970     310.000      10.341    7 
+    530000       53000.00      37.377     -20.501      16.876  951.082725   7.50 0.071 0.800 0.182 1.028     339.103     310.000       9.690    7 
+    540000       54000.00      34.582     -33.691       0.891  965.021724   5.58 0.143 0.857 0.406 0.624     313.744     310.000       6.834    7 
+    550000       55000.00      37.635     -35.428       2.207  988.676642   4.93 0.214 0.842 0.352 0.889     341.443     310.000       6.689    7 
+    560000       56000.00      42.476     -40.881       1.595  989.942637   5.49 0.286 0.778 0.402 0.752     385.366     310.000       6.748    7 
+    570000       57000.00      44.123     -37.000       7.123  995.248626   5.22 0.214 0.727 0.331 0.628     400.307     310.000       6.942    7 
+    580000       58000.00      41.437     -21.586      19.851 1020.025123   4.83 0.071 0.857 0.416 0.644     375.938     310.000       7.297    7 
+    590000       59000.00      39.805     -24.335      15.469 1049.209922   5.12 0.071 0.875 0.392 0.996     361.128     310.000       7.454    7 
+    600000       60000.00      28.054     -24.187       3.868 1066.233769   7.27 0.143 0.750 0.239 0.654     254.523     310.000       9.940    7 
+    610000       61000.00      34.530     -20.494      14.036 1174.770863   5.57 0.214 0.500 0.167 0.590     313.276     330.000       9.395    7 
+    620000       62000.00      26.365     -16.866       9.499 1210.533279   6.13 0.214 0.667 0.237 0.646     239.197     330.000       9.332    7 
+    630000       63000.00      24.822     -16.215       8.607 1226.618941   5.91 0.071 0.857 0.357 0.609     225.202     330.000       8.220    7 
+    640000       64000.00      49.417     -28.366      21.051 1235.650135   5.99 0.143 0.778 0.424 0.542     448.335     330.000       7.825    7 
+    650000       65000.00      36.830     -21.954      14.876 1275.314642   5.43 0.143 0.818 0.500 1.233     334.136     330.000       7.170    7 
+    660000       66000.00      35.509     -27.428       8.082 1308.324126   4.67 0.143 0.667 0.371 0.731     322.158     330.000       8.621    7 
+    670000       67000.00      31.124     -26.219       4.905 1344.119134   4.35 0.286 0.500 0.284 0.618     282.377     330.000       7.463    7 
+    680000       68000.00      28.477     -21.869       6.608 1362.389041   5.09 0.214 0.667 0.369 0.849     258.360     330.000       7.239    7 
+    690000       69000.00      35.082     -19.257      15.825 1366.024425   7.20 0.143 0.714 0.182 0.639     318.286     330.000       9.146    7 
+    700000       70000.00      30.996     -31.023      -0.026 1374.337711   4.93 0.214 0.667 0.419 1.426     281.215     330.000       8.055    7 
+    710000       71000.00      34.281     -29.114       5.167 1346.918682   6.36 0.214 0.625 0.210 0.435     311.011     320.000       8.967    7 
+    720000       72000.00      32.029     -40.962      -8.933 1365.207456   5.15 0.286 0.667 0.348 0.542     290.588     320.000       7.912    7 
+    730000       73000.00      35.182     -27.674       7.508 1408.843122   4.79 0.357 0.375 0.318 0.545     319.189     320.000       7.624    7 
+    740000       74000.00      35.146     -21.925      13.222 1432.319537   4.83 0.214 0.500 0.280 0.404     318.864     320.000       7.890    7 
+    750000       75000.00      26.355     -18.766       7.589 1478.466813   4.56 0.214 0.667 0.247 1.065     239.105     320.000       7.249    7 
+    760000       76000.00      25.914     -33.154      -7.240 1481.880088   4.14 0.357 0.583 0.250 0.490     235.103     320.000       7.412    7 
+    770000       77000.00      26.950     -36.628      -9.678 1505.415289   5.48 0.143 0.714 0.240 0.954     244.504     320.000       7.718    7 
+    780000       78000.00      37.169     -20.084      17.084 1515.167850   5.77 0.214 0.700 0.250 0.922     337.214     320.000       7.481    7 
+    790000       79000.00      37.306     -23.299      14.008 1532.715169   5.04 0.071 0.875 0.358 0.971     338.464     320.000       7.412    7 
+    800000       80000.00      37.946     -23.022      14.924 1556.888917   5.05 0.214 0.700 0.273 0.431     344.269     320.000       7.263    7 
+    810000       81000.00      23.120     -38.586     -15.466 1514.393977   5.86 0.143 0.818 0.360 0.894     209.758     310.000       6.913    7 
+    820000       82000.00      33.231     -23.830       9.402 1524.455752   5.71 0.143 0.600 0.245 0.712     301.492     310.000       7.365    7 
+    830000       83000.00      35.501     -36.166      -0.665 1540.955121   6.07 0.286 0.714 0.341 0.901     322.080     310.000       6.953    7 
+    840000       84000.00      33.533     -34.621      -1.088 1551.031108   5.79 0.357 0.615 0.315 0.637     304.226     310.000       7.030    7 
+    850000       85000.00      31.974     -32.253      -0.278 1573.185749   5.17 0.429 0.455 0.252 0.518     290.089     310.000       7.378    7 
+    860000       86000.00      30.955     -28.574       2.381 1585.432343   5.49 0.214 0.700 0.395 0.551     280.836     310.000       7.116    7 
+    870000       87000.00      38.625     -37.893       0.732 1607.315982   5.12 0.214 0.625 0.244 0.409     350.428     310.000       7.456    7 
+    880000       88000.00      35.129     -30.223       4.906 1625.925421   5.04 0.429 0.600 0.255 0.981     318.706     310.000       7.007    7 
+    890000       89000.00      38.571     -38.560       0.011 1630.683113   3.14 0.286 0.600 0.359 0.532     349.934     310.000       6.876    7 
+    900000       90000.00      40.912     -34.899       6.013 1643.639923   2.69 0.429 0.600 0.418 0.944     371.171     310.000       7.084    7 
+    910000       91000.00      29.695     -38.928      -9.233 1595.961250   3.12 0.571 0.556 0.328 0.607     269.406     300.000       6.785    7 
+    920000       92000.00      34.414     -43.083      -8.669 1606.262202   3.97 0.214 0.667 0.207 1.036     312.219     300.000       7.272    7 
+    930000       93000.00      36.763     -27.148       9.615 1618.366063   7.13 0.357 0.444 0.187 0.891     333.533     300.000       8.316    7 
+    940000       94000.00      30.150     -31.106      -0.955 1628.249899   3.85 0.214 0.750 0.299 1.404     273.539     300.000       7.109    7 
+    950000       95000.00      38.375     -26.442      11.933 1632.630228   3.52 0.429 0.333 0.263 0.954     348.157     300.000       7.266    7 
+    960000       96000.00      31.957     -34.152      -2.195 1642.494292   3.27 0.286 0.556 0.268 1.756     289.930     300.000       7.501    7 
+    970000       97000.00      36.836     -42.670      -5.834 1656.530243   4.49 0.214 0.786 0.273 0.729     334.195     300.000       6.860    7 
+    980000       98000.00      29.007     -44.069     -15.062 1678.666097   4.73 0.357 0.722 0.374 0.377     263.162     300.000       6.616    7 
+    990000       99000.00      28.197     -20.662       7.535 1698.432491   5.29 0.214 0.400 0.200 0.573     255.817     300.000       8.440    7 
+   1000000      100000.00      26.330     -27.724      -1.394 1716.787429   4.65 0.286 0.500 0.188 0.643     238.884     300.000       8.197    7 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB008.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB008.stat
index 075f00e..9efb5f6 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB008.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB008.stat
@@ -1,101 +1,101 @@
          0           0.00      38.701      24.668      63.369    0.000000  12.87 0.000   NaN   NaN 0.706     351.119     330.000      15.552    8 
-     10000        1000.00      37.130     -17.117      20.013   25.606420   6.23 0.000 1.000 0.386 0.585     336.860     330.000       8.711    8 
-     20000        2000.00      32.178     -15.008      17.170   65.392707   4.71 0.143 0.667 0.356 0.643     291.939     330.000       7.786    8 
-     30000        3000.00      29.030     -19.322       9.708   82.365226   5.98 0.071 0.857 0.364 0.492     263.378     330.000       7.524    8 
-     40000        4000.00      38.787     -19.940      18.847  120.001108   4.24 0.143 0.714 0.409 0.717     351.895     330.000       8.428    8 
-     50000        5000.00      32.252     -21.055      11.198  132.039141   4.76 0.286 0.429 0.266 0.847     292.609     330.000       7.253    8 
-     60000        6000.00      32.846     -22.315      10.532  165.548510   4.36 0.071 0.833 0.303 0.600     297.996     330.000       8.320    8 
-     70000        7000.00      37.147     -19.436      17.711  204.301067   4.30 0.214 0.571 0.247 0.548     337.012     330.000       7.681    8 
-     80000        8000.00      36.705     -23.867      12.838  224.838681   4.43 0.143 0.600 0.364 1.011     333.009     330.000       7.896    8 
-     90000        9000.00      39.811     -34.772       5.039  270.093569   5.30 0.286 0.600 0.350 0.908     361.184     330.000       7.119    8 
-    100000       10000.00      32.838     -30.172       2.666  299.087047   4.26 0.286 0.333 0.326 0.723     297.920     330.000       7.580    8 
-    110000       11000.00      32.417     -23.408       9.009  306.606343   4.61 0.071 0.800 0.200 0.644     294.102     330.000       8.743    8 
-    120000       12000.00      33.307     -10.987      22.320  320.526953   9.40 0.071 0.000 0.182 0.623     302.176     330.000      12.761    8 
-    130000       13000.00      28.337     -14.787      13.550  345.095756   9.09 0.214 0.000 0.167 1.374     257.090     330.000      13.011    8 
-    140000       14000.00      33.101     -23.144       9.956  414.679053   7.98 0.143 0.750 0.301 1.146     300.306     330.000       8.364    8 
-    150000       15000.00      44.758     -31.555      13.203  436.505871   6.74 0.143 0.750 0.420 0.614     406.066     330.000       6.850    8 
-    160000       16000.00      32.669     -21.098      11.571  471.956030   6.28 0.071 0.500 0.250 0.663     296.391     330.000       8.995    8 
-    170000       17000.00      43.384     -13.915      29.469  527.996414   5.88 0.143 0.750 0.449 0.828     393.602     330.000       7.475    8 
-    180000       18000.00      47.304     -29.777      17.527  557.849554   5.51 0.071 0.800 0.173 0.499     429.169     330.000       8.360    8 
-    190000       19000.00      40.445     -14.476      25.969  566.650516   7.09 0.000 1.000 0.258 0.476     366.936     330.000       8.423    8 
-    200000       20000.00      34.945     -24.859      10.086  588.237121   6.05 0.143 0.750 0.170 0.704     317.039     330.000       7.999    8 
-    210000       21000.00      40.728     -17.872      22.857  587.309099   6.48 0.143 0.000 0.159 1.401     369.507     320.000       9.259    8 
-    220000       22000.00      39.847     -33.499       6.347  611.139133   6.92 0.286 0.429 0.195 0.848     361.509     320.000       7.945    8 
-    230000       23000.00      32.053     -31.879       0.175  620.150502   6.75 0.286 0.500 0.210 0.711     290.806     320.000       8.083    8 
-    240000       24000.00      33.816     -24.657       9.160  637.749562   3.90 0.143 0.714 0.221 0.637     306.798     320.000       7.104    8 
-    250000       25000.00      43.504     -36.122       7.382  672.215084   3.74 0.214 0.700 0.386 0.922     394.688     320.000       6.562    8 
-    260000       26000.00      29.474     -37.337      -7.863  689.285755   3.05 0.357 0.615 0.399 1.410     267.399     320.000       6.934    8 
-    270000       27000.00      35.738     -38.436      -2.698  711.476055   3.72 0.429 0.600 0.385 0.821     324.233     320.000       6.550    8 
-    280000       28000.00      39.335     -29.528       9.807  719.379327   2.85 0.214 0.625 0.335 1.119     356.865     320.000       7.243    8 
-    290000       29000.00      30.993     -28.208       2.785  749.199022   3.40 0.214 0.667 0.455 0.683     281.183     320.000       6.912    8 
-    300000       30000.00      43.334     -31.744      11.590  753.456028   3.89 0.143 0.750 0.239 1.252     393.149     320.000       7.124    8 
-    310000       31000.00      42.637     -37.307       5.330  733.721820   4.30 0.143 0.857 0.299 0.401     386.823     310.000       7.009    8 
-    320000       32000.00      31.335     -34.875      -3.540  758.156538   3.62 0.214 0.800 0.352 0.483     284.292     310.000       7.095    8 
-    330000       33000.00      32.130     -35.731      -3.602  776.661593   4.06 0.286 0.692 0.392 1.317     291.498     310.000       6.728    8 
-    340000       34000.00      30.541     -40.026      -9.485  793.106684   3.61 0.429 0.600 0.355 0.568     277.083     310.000       6.380    8 
-    350000       35000.00      37.346     -36.924       0.421  820.725661   3.45 0.286 0.714 0.396 0.598     338.818     310.000       6.833    8 
-    360000       36000.00      31.049     -37.694      -6.645  827.075514   2.99 0.286 0.429 0.305 0.730     281.693     310.000       7.218    8 
-    370000       37000.00      33.919     -33.333       0.586  838.002527   4.27 0.143 0.800 0.345 0.601     307.729     310.000       6.796    8 
-    380000       38000.00      35.761     -28.658       7.104  861.698591   5.21 0.286 0.556 0.293 0.479     324.446     310.000       7.661    8 
-    390000       39000.00      31.808     -37.084      -5.275  904.374752   5.11 0.214 0.750 0.364 0.473     288.583     310.000       7.008    8 
-    400000       40000.00      44.227     -31.101      13.125  917.465449   4.48 0.286 0.556 0.308 0.500     401.247     310.000       7.107    8 
-    410000       41000.00      30.730     -33.425      -2.695  930.040851   4.42 0.214 0.700 0.395 1.290     278.800     300.000       7.453    8 
-    420000       42000.00      39.334     -22.497      16.837  942.064101   6.50 0.286 0.333 0.167 0.767     356.857     300.000      10.990    8 
-    430000       43000.00      36.137     -29.096       7.041  961.456782   4.70 0.071 0.889 0.288 1.305     327.850     300.000       7.954    8 
-    440000       44000.00      35.045     -22.172      12.873  972.077122   5.02 0.214 0.625 0.199 0.564     317.948     300.000       8.392    8 
-    450000       45000.00      34.229     -37.372      -3.143  982.598319   4.88 0.214 0.625 0.307 0.415     310.544     300.000       7.845    8 
-    460000       46000.00      35.771     -32.337       3.434  999.768532   6.93 0.214 0.625 0.199 0.771     324.537     300.000       8.109    8 
-    470000       47000.00      29.546     -35.460      -5.914 1010.801934   5.42 0.286 0.667 0.386 0.544     268.058     300.000       7.089    8 
-    480000       48000.00      43.139     -34.202       8.937 1018.449457   4.96 0.214 0.700 0.332 0.678     391.379     300.000       7.249    8 
-    490000       49000.00      42.303     -31.725      10.578 1020.732989   5.02 0.214 0.700 0.209 0.626     383.796     300.000       7.060    8 
-    500000       50000.00      26.872     -43.097     -16.226 1021.034194   4.80 0.357 0.643 0.312 0.911     243.793     300.000       6.777    8 
-    510000       51000.00      25.498     -30.313      -4.815  989.485625   6.79 0.214 0.700 0.200 0.991     231.332     290.000       7.699    8 
-    520000       52000.00      30.218     -38.791      -8.572 1001.380063   6.08 0.143 0.833 0.269 0.995     274.154     290.000       7.026    8 
-    530000       53000.00      39.568     -34.350       5.218 1010.971284   5.80 0.071 0.800 0.182 0.779     358.984     290.000       7.271    8 
-    540000       54000.00      27.244     -30.728      -3.484 1019.618144   5.36 0.357 0.500 0.227 0.468     247.171     290.000       7.360    8 
-    550000       55000.00      33.365     -43.722     -10.357 1027.178639   4.40 0.286 0.692 0.318 0.552     302.704     290.000       7.048    8 
-    560000       56000.00      30.826     -45.100     -14.274 1029.407228   4.02 0.429 0.538 0.357 0.611     279.670     290.000       7.045    8 
-    570000       57000.00      38.353     -35.643       2.710 1045.667083   5.33 0.214 0.727 0.244 1.201     347.959     290.000       7.218    8 
-    580000       58000.00      31.094     -45.518     -14.425 1060.372752   4.74 0.357 0.545 0.293 0.668     282.098     290.000       6.960    8 
-    590000       59000.00      30.948     -39.553      -8.605 1070.350128   5.49 0.143 0.750 0.352 0.919     280.773     290.000       6.855    8 
-    600000       60000.00      31.996     -46.685     -14.689 1076.328453   5.73 0.357 0.545 0.240 0.520     290.287     290.000       7.383    8 
-    610000       61000.00      32.358     -34.935      -2.577 1088.382950   5.72 0.214 0.750 0.322 2.172     293.571     290.000       7.016    8 
-    620000       62000.00      30.936     -38.751      -7.816 1120.651445   5.01 0.214 0.667 0.227 0.619     280.663     290.000       7.007    8 
-    630000       63000.00      32.825     -33.730      -0.905 1160.182351   5.18 0.143 0.800 0.336 0.454     297.806     290.000       6.842    8 
-    640000       64000.00      27.819     -45.652     -17.833 1162.362595   5.46 0.286 0.500 0.188 0.600     252.392     290.000       7.461    8 
-    650000       65000.00      31.785     -36.547      -4.762 1169.407708   5.02 0.357 0.688 0.307 0.485     288.372     290.000       6.955    8 
-    660000       66000.00      39.606     -44.062      -4.456 1172.690643   4.86 0.286 0.714 0.279 0.519     359.327     290.000       7.196    8 
-    670000       67000.00      34.117     -45.054     -10.937 1180.387240   3.94 0.357 0.643 0.422 0.598     309.524     290.000       6.788    8 
-    680000       68000.00      29.392     -33.956      -4.564 1190.426399   5.29 0.143 0.714 0.247 0.624     266.664     290.000       6.798    8 
-    690000       69000.00      30.014     -47.259     -17.245 1193.947196   5.56 0.357 0.643 0.305 0.626     272.298     290.000       6.724    8 
-    700000       70000.00      37.153     -36.335       0.818 1212.264158   5.45 0.214 0.727 0.306 1.059     337.072     290.000       6.781    8 
-    710000       71000.00      27.550     -35.433      -7.883 1312.022965   4.72 0.143 0.778 0.318 0.724     249.951     310.000       7.173    8 
-    720000       72000.00      37.569     -26.775      10.794 1334.800020   6.31 0.286 0.200 0.200 0.585     340.843     310.000       7.686    8 
-    730000       73000.00      34.076     -34.693      -0.617 1335.347761   4.54 0.214 0.700 0.441 0.522     309.156     310.000       7.481    8 
-    740000       74000.00      36.877     -19.540      17.337 1347.803449   3.51 0.214 0.667 0.237 1.168     334.567     310.000       8.016    8 
-    750000       75000.00      33.939     -22.452      11.487 1360.382345   4.52 0.214 0.667 0.253 1.023     307.908     310.000       8.487    8 
-    760000       76000.00      25.683     -23.179       2.504 1381.377586   9.02 0.143 0.500 0.148 0.561     233.010     310.000      12.478    8 
-    770000       77000.00      41.032     -19.255      21.776 1406.484332   7.39 0.071 0.750 0.239 0.601     372.260     310.000      10.743    8 
-    780000       78000.00      31.103     -19.856      11.247 1433.068906   6.88 0.000 1.000 0.227 0.411     282.180     310.000       9.453    8 
-    790000       79000.00      32.582     -26.567       6.014 1443.309697   5.91 0.000 1.000 0.182 0.383     295.597     310.000       9.946    8 
-    800000       80000.00      26.015     -17.057       8.958 1498.090378   5.19 0.143 0.600 0.336 0.596     236.018     310.000       8.357    8 
-    810000       81000.00      39.006     -11.459      27.547 1583.000636   4.43 0.214 0.571 0.422 1.117     353.883     320.000       7.356    8 
-    820000       82000.00      40.538     -22.523      18.015 1617.401891   2.93 0.286 0.500 0.227 0.831     367.778     320.000       7.617    8 
-    830000       83000.00      33.357     -26.409       6.948 1631.984698   3.55 0.357 0.375 0.278 0.934     302.633     320.000       7.906    8 
-    840000       84000.00      40.924     -37.746       3.178 1663.142952   4.86 0.286 0.714 0.276 0.869     371.284     320.000       7.229    8 
-    850000       85000.00      42.431     -38.603       3.829 1684.060175   4.35 0.214 0.800 0.348 0.724     384.958     320.000       7.087    8 
-    860000       86000.00      29.277     -29.589      -0.312 1694.666074   4.01 0.429 0.600 0.330 1.950     265.612     320.000       6.589    8 
-    870000       87000.00      41.431     -41.288       0.142 1714.375850   2.32 0.429 0.333 0.237 1.268     375.880     320.000       7.179    8 
-    880000       88000.00      32.753     -38.938      -6.184 1731.180042   3.68 0.286 0.667 0.352 0.510     297.153     320.000       6.650    8 
-    890000       89000.00      35.926     -32.537       3.389 1745.780659   4.78 0.214 0.625 0.216 0.636     325.942     320.000       7.601    8 
-    900000       90000.00      33.043     -34.904      -1.861 1750.067457   3.73 0.286 0.600 0.350 0.990     299.779     320.000       7.010    8 
-    910000       91000.00      38.008     -30.060       7.947 1775.141286   3.12 0.286 0.667 0.242 0.792     344.825     320.000       6.839    8 
-    920000       92000.00      32.537     -39.008      -6.472 1795.512495   2.76 0.429 0.333 0.268 0.611     295.189     320.000       6.913    8 
-    930000       93000.00      30.836     -28.865       1.971 1827.977480   4.47 0.214 0.700 0.305 0.488     279.761     320.000       6.918    8 
-    940000       94000.00      23.898     -24.683      -0.785 1851.099722   5.13 0.357 0.583 0.231 0.836     216.815     320.000       6.988    8 
-    950000       95000.00      34.410     -27.216       7.194 1855.536730   5.66 0.286 0.429 0.156 0.637     312.189     320.000       8.597    8 
-    960000       96000.00      39.761     -37.202       2.559 1862.478854   6.52 0.286 0.556 0.202 0.727     360.735     320.000       7.800    8 
-    970000       97000.00      31.667     -28.594       3.073 1876.132351   5.34 0.214 0.500 0.167 1.077     287.298     320.000       9.148    8 
-    980000       98000.00      45.772     -16.426      29.345 1906.733839   6.54 0.286 0.556 0.293 0.848     415.265     320.000       7.214    8 
-    990000       99000.00      28.663     -27.552       1.112 1918.450242   4.91 0.357 0.615 0.318 0.982     260.050     320.000       6.666    8 
-   1000000      100000.00      29.095     -31.727      -2.632 1949.628946   6.52 0.143 0.833 0.250 0.754     263.969     320.000       7.024    8 
+     10000        1000.00      38.994       2.373      41.367   42.782165   7.43 0.143 0.000 0.159 0.481     353.776     330.000      10.893    8 
+     20000        2000.00      36.738      -9.473      27.265   71.626101   6.88 0.000   NaN   NaN 0.534     333.305     330.000      11.576    8 
+     30000        3000.00      36.078     -14.206      21.872   92.634495   5.57 0.000 1.000 0.377 0.575     327.318     330.000       7.411    8 
+     40000        4000.00      40.592     -19.217      21.375  110.697670   6.21 0.143 0.714 0.364 0.675     368.273     330.000       8.066    8 
+     50000        5000.00      35.811     -16.887      18.924  126.518208   5.72 0.071 0.857 0.234 0.993     324.894     330.000       8.608    8 
+     60000        6000.00      35.484     -28.666       6.817  142.773993   7.03 0.143 0.714 0.195 1.134     321.926     330.000       8.133    8 
+     70000        7000.00      34.716     -26.990       7.726  167.397832   2.91 0.214 0.727 0.326 0.612     314.961     330.000       6.794    8 
+     80000        8000.00      31.113     -25.974       5.139  182.036916   6.44 0.214 0.571 0.169 0.680     282.271     330.000       8.329    8 
+     90000        9000.00      31.538     -17.417      14.122  188.912215   6.63 0.071 0.667 0.152 1.051     286.134     330.000      10.816    8 
+    100000       10000.00      42.636     -25.825      16.810  201.419673   5.57 0.286 0.600 0.191 0.851     386.813     330.000       8.219    8 
+    110000       11000.00      36.154     -23.372      12.782  193.047543   5.13 0.286 0.333 0.167 1.289     328.005     320.000       7.495    8 
+    120000       12000.00      32.031     -26.990       5.041  200.141801   5.77 0.214 0.571 0.409 0.740     290.598     320.000       7.330    8 
+    130000       13000.00      33.725     -25.119       8.607  213.480184   5.26 0.143 0.333 0.318 1.441     305.971     320.000       8.173    8 
+    140000       14000.00      29.592     -18.277      11.315  226.964676   5.36 0.214 0.750 0.284 1.004     268.473     320.000       7.640    8 
+    150000       15000.00      28.549     -23.971       4.578  235.144717   7.64 0.071 0.857 0.357 0.711     259.009     320.000       8.595    8 
+    160000       16000.00      31.586     -32.373      -0.787  250.151681   4.67 0.286 0.600 0.300 0.389     286.564     320.000       6.787    8 
+    170000       17000.00      36.081     -17.109      18.972  278.294870   4.99 0.071 0.800 0.364 1.196     327.346     320.000       7.837    8 
+    180000       18000.00      28.175     -27.143       1.032  288.634830   4.82 0.071 0.833 0.417 0.693     255.620     320.000       8.101    8 
+    190000       19000.00      30.590     -22.170       8.419  297.391064   5.59 0.000 1.000 0.182 0.907     277.525     320.000       8.324    8 
+    200000       20000.00      33.342     -20.572      12.770  326.464574   4.28 0.214 0.667 0.338 0.991     302.496     320.000       7.144    8 
+    210000       21000.00      47.962     -21.077      26.885  382.358534   5.55 0.214 0.750 0.348 1.304     435.136     330.000       7.036    8 
+    220000       22000.00      32.454     -34.758      -2.304  412.494981   5.41 0.143 0.867 0.403 0.561     294.441     330.000       6.591    8 
+    230000       23000.00      37.937     -31.735       6.202  456.943912   4.76 0.429 0.571 0.328 0.447     344.183     330.000       7.268    8 
+    240000       24000.00      32.731     -23.903       8.828  483.389572   4.84 0.286 0.667 0.409 1.247     296.949     330.000       6.609    8 
+    250000       25000.00      38.584     -31.974       6.611  515.766194   5.46 0.143 0.714 0.357 0.689     350.058     330.000       7.091    8 
+    260000       26000.00      35.123     -31.362       3.761  527.296503   5.15 0.286 0.636 0.281 0.568     318.656     330.000       7.418    8 
+    270000       27000.00      44.443     -28.806      15.637  532.813466   4.74 0.214 0.571 0.240 1.467     403.208     330.000       7.529    8 
+    280000       28000.00      33.996     -21.472      12.524  536.711099   3.38 0.357 0.545 0.376 0.916     308.427     330.000       6.967    8 
+    290000       29000.00      28.062      -9.554      18.508  563.654769   4.33 0.143 0.714 0.474 0.521     254.594     330.000       8.136    8 
+    300000       30000.00      31.934       3.304      35.238  585.012273   5.01 0.143 0.667 0.227 1.168     289.721     330.000       7.433    8 
+    310000       31000.00      36.354     -15.770      20.585  708.756368   5.82 0.143 0.500 0.443 0.867     329.826     370.000       9.739    8 
+    320000       32000.00      34.760      -4.219      30.540  734.138957   5.31 0.143 0.714 0.422 0.899     315.358     370.000       7.642    8 
+    330000       33000.00      32.658      -6.335      26.323  777.432971   8.52 0.071 0.667 0.182 0.613     296.294     370.000      11.653    8 
+    340000       34000.00      39.831      -8.540      31.291  827.351140   6.42 0.071 0.500 0.182 0.438     361.366     370.000      10.137    8 
+    350000       35000.00      39.959      -5.783      34.176  891.944286   9.11 0.071 0.000 0.182 1.015     362.525     370.000      13.056    8 
+    360000       36000.00      47.477     -17.400      30.077  916.429204   5.25 0.000 1.000 0.136 0.584     430.734     370.000       8.316    8 
+    370000       37000.00      44.908     -30.274      14.634  932.401852   6.16 0.000 1.000 0.182 0.744     407.431     370.000       9.689    8 
+    380000       38000.00      35.231     -16.288      18.943  960.086496   5.49 0.071 0.750 0.432 0.525     319.631     370.000       7.906    8 
+    390000       39000.00      45.757      -2.250      43.507  994.398951   6.04 0.143 0.600 0.464 0.710     415.133     370.000       8.161    8 
+    400000       40000.00      43.510      -1.510      41.999 1032.989751   5.17 0.143 0.333 0.182 0.572     394.744     370.000       9.311    8 
+    410000       41000.00      37.678     -18.289      19.389 1037.540073   7.58 0.214 0.571 0.240 0.616     341.836     360.000      10.969    8 
+    420000       42000.00      38.613      -8.261      30.351 1058.273866   7.57 0.071 0.667 0.379 0.637     350.315     360.000      10.261    8 
+    430000       43000.00      46.629     -15.624      31.005 1079.396194   5.08 0.143 0.600 0.545 1.073     423.042     360.000       8.379    8 
+    440000       44000.00      28.043       2.821      30.864 1143.656063   4.47 0.071 0.500 0.205 0.313     254.423     360.000       9.546    8 
+    450000       45000.00      43.268      -8.514      34.753 1178.679479   7.47 0.000   NaN   NaN 1.369     392.546     360.000      10.573    8 
+    460000       46000.00      39.824       0.790      40.614 1204.327210  10.58 0.000   NaN   NaN 1.148     361.301     360.000      13.639    8 
+    470000       47000.00      48.047     -19.857      28.191 1292.987992   5.83 0.071 0.750 0.352 0.602     435.909     360.000       9.353    8 
+    480000       48000.00      46.327     -13.020      33.307 1370.169863   7.14 0.071 0.800 0.564 0.410     420.300     360.000       7.983    8 
+    490000       49000.00      36.678     -16.433      20.245 1399.485666   6.47 0.143 0.667 0.341 0.612     332.758     360.000       8.214    8 
+    500000       50000.00      42.716     -17.168      25.548 1457.344421   5.25 0.214 0.571 0.364 0.832     387.542     360.000       8.449    8 
+    510000       51000.00      27.983     -22.964       5.019 1456.391041   5.44 0.357 0.545 0.393 0.781     253.878     350.000       7.063    8 
+    520000       52000.00      36.546     -12.859      23.687 1491.316675   6.13 0.071 0.800 0.264 0.643     331.567     350.000       7.446    8 
+    530000       53000.00      31.447     -18.233      13.214 1539.361219   5.00 0.286 0.429 0.416 1.128     285.300     350.000       7.154    8 
+    540000       54000.00      32.340      -6.596      25.744 1582.237858   8.02 0.000 1.000 0.159 0.730     293.405     350.000      10.902    8 
+    550000       55000.00      35.576     -23.525      12.052 1600.998928   5.75 0.071 0.667 0.152 0.544     322.768     350.000       9.095    8 
+    560000       56000.00      36.620      -4.505      32.115 1671.887567   7.71 0.071 0.667 0.197 0.698     332.233     350.000      10.626    8 
+    570000       57000.00      34.869     -19.420      15.449 1705.488881   8.48 0.143 0.333 0.152 0.917     316.353     350.000      11.880    8 
+    580000       58000.00      36.927     -12.603      24.325 1731.086372   6.67 0.000 1.000 0.273 1.360     335.025     350.000      11.041    8 
+    590000       59000.00      38.619     -12.764      25.854 1749.225932   5.69 0.071 0.500 0.318 0.601     350.370     350.000       9.106    8 
+    600000       60000.00      38.534      10.225      48.760 1790.922794   6.59 0.000 1.000 0.530 1.042     349.604     350.000      10.099    8 
+    610000       61000.00      38.325      -7.785      30.540 2103.843691   5.64 0.000 1.000 0.136 0.880     347.703     400.000      10.067    8 
+    620000       62000.00      44.823      -4.345      40.478 2130.496778  10.80 0.000 1.000 0.136 0.988     406.659     400.000      13.639    8 
+    630000       63000.00      40.551      -0.919      39.632 2201.786412   9.33 0.071 0.500 0.136 1.037     367.904     400.000      13.256    8 
+    640000       64000.00      47.867       6.895      54.762 2253.492832  11.32 0.000   NaN   NaN 1.635     434.273     400.000      15.578    8 
+    650000       65000.00      39.993      -1.583      38.410 2281.196032   5.80 0.143 0.500 0.205 1.002     362.833     400.000       9.559    8 
+    660000       66000.00      47.849       4.044      51.893 2371.095384   5.70 0.000 1.000 0.682 0.483     434.108     400.000       8.657    8 
+    670000       67000.00      36.548      24.677      61.225 2398.117884   9.91 0.071 0.500 0.159 1.024     331.586     400.000      13.548    8 
+    680000       68000.00      43.945      -2.694      41.251 2406.958601  12.10 0.000   NaN   NaN 0.702     398.692     400.000      15.682    8 
+    690000       69000.00      46.677     -13.414      33.263 2440.450561   5.15 0.071 0.750 0.557 0.622     423.476     400.000       8.327    8 
+    700000       70000.00      51.888       0.523      52.411 2462.357141   6.97 0.000 1.000 0.136 0.683     470.754     400.000      10.188    8 
+    710000       71000.00      45.169       1.486      46.655 2506.998998   4.64 0.071 0.500 0.205 0.531     409.797     400.000       8.142    8 
+    720000       72000.00      44.285       4.152      48.436 2543.404952  12.34 0.071 0.000 0.136 0.983     401.773     400.000      15.582    8 
+    730000       73000.00      40.789     -10.722      30.067 2579.239742   8.47 0.071 0.667 0.227 0.482     370.054     400.000      11.440    8 
+    740000       74000.00      40.972       1.091      42.064 2620.932418   5.78 0.000 1.000 0.197 0.658     371.721     400.000       8.639    8 
+    750000       75000.00      47.913       1.946      49.859 2686.567264   4.99 0.071 0.750 0.318 1.463     434.689     400.000       8.613    8 
+    760000       76000.00      44.738       4.106      48.844 2738.361286   6.16 0.071 0.000 0.182 0.503     405.886     400.000       9.878    8 
+    770000       77000.00      41.854      11.200      53.054 2786.577246   7.13 0.143 0.333 0.182 0.672     379.722     400.000      11.169    8 
+    780000       78000.00      50.028      -4.065      45.963 2821.875937   6.11 0.000 1.000 0.159 1.869     453.876     400.000      10.093    8 
+    790000       79000.00      40.654       1.356      42.011 2853.502532  11.55 0.143 0.000 0.136 0.725     368.838     400.000      14.281    8 
+    800000       80000.00      43.073      -3.584      39.489 2901.567434  10.12 0.071 0.000 0.182 0.892     390.780     400.000      13.162    8 
+    810000       81000.00      38.345      -3.736      34.608 2883.819618   5.47 0.143 0.600 0.173 0.827     347.883     390.000       8.780    8 
+    820000       82000.00      43.928      -4.202      39.725 2908.250387   4.99 0.143 0.500 0.170 0.615     398.537     390.000       8.445    8 
+    830000       83000.00      52.342      -2.283      50.059 2945.374841  11.26 0.000   NaN   NaN 0.541     474.876     390.000      14.078    8 
+    840000       84000.00      38.129     -15.795      22.334 3053.583966   9.71 0.071 0.000 0.182 1.632     345.922     390.000      13.533    8 
+    850000       85000.00      43.087      -9.003      34.084 3119.009001  10.58 0.000 1.000 0.227 1.962     390.908     390.000      13.372    8 
+    860000       86000.00      51.201       3.379      54.580 3171.871111   6.30 0.000 1.000 0.136 0.990     464.523     390.000       9.288    8 
+    870000       87000.00      44.737      -8.277      36.460 3233.208620   6.26 0.000 1.000 0.318 0.930     405.877     390.000       8.020    8 
+    880000       88000.00      61.943     -14.088      47.855 3297.471204   6.13 0.071 0.000 0.545 1.050     561.982     390.000       8.913    8 
+    890000       89000.00      40.303       9.710      50.013 3315.084995   5.51 0.000 1.000 0.477 0.324     365.652     390.000       7.370    8 
+    900000       90000.00      34.461       0.387      34.849 3358.092525   4.84 0.143 0.500 0.250 1.323     312.650     390.000       9.005    8 
+    910000       91000.00      51.205      -0.510      50.695 3314.714281   5.00 0.071 0.857 0.442 0.881     464.556     380.000       8.231    8 
+    920000       92000.00      45.595     -13.702      31.893 3359.423901   6.32 0.000 1.000 0.295 0.942     413.663     380.000       8.753    8 
+    930000       93000.00      37.681      10.882      48.563 3391.094501   5.31 0.000   NaN   NaN 0.975     341.859     380.000      10.399    8 
+    940000       94000.00      50.054      -5.943      44.111 3494.238202   8.56 0.000   NaN   NaN 1.026     454.117     380.000      12.865    8 
+    950000       95000.00      33.171     -11.799      21.372 3540.555481  11.65 0.000   NaN   NaN 0.873     300.946     380.000      14.608    8 
+    960000       96000.00      44.754       0.829      45.583 3633.023701  12.11 0.000   NaN   NaN 0.924     406.035     380.000      15.586    8 
+    970000       97000.00      42.824      -7.044      35.781 3689.162076   5.55 0.000 1.000 0.818 0.860     388.524     380.000       9.071    8 
+    980000       98000.00      44.490     -13.708      30.782 3748.473896   6.21 0.000 1.000 0.545 0.797     403.640     380.000       8.086    8 
+    990000       99000.00      39.246      -3.560      35.685 3801.633035   6.13 0.071 0.000 0.136 0.831     356.058     380.000       9.265    8 
+   1000000      100000.00      37.183     -11.646      25.537 3836.367275   9.95 0.071 0.000 0.136 0.434     337.345     380.000      12.814    8 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB009.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB009.stat
index 41a50b8..d03f48e 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB009.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB009.stat
@@ -1,101 +1,101 @@
          0           0.00      30.936      24.626      55.562    0.000000  12.87 0.000   NaN   NaN 0.706     280.667     340.000      15.552    9 
-     10000        1000.00      42.460     -16.566      25.894   77.886965  12.78 0.071 0.500 0.182 0.650     385.215     340.000      15.346    9 
-     20000        2000.00      38.528     -13.498      25.030   99.920720   6.66 0.286 0.000 0.159 0.902     349.546     340.000      10.248    9 
-     30000        3000.00      38.963      -6.917      32.047  121.772463   7.82 0.071 0.800 0.218 1.112     353.495     340.000       9.264    9 
-     40000        4000.00      38.887      -7.503      31.384  154.964767   8.31 0.000 1.000 0.250 0.556     352.800     340.000      10.881    9 
-     50000        5000.00      46.555     -28.089      18.466  180.685248   3.50 0.214 0.500 0.371 0.640     422.371     340.000       7.139    9 
-     60000        6000.00      36.864     -21.356      15.508  190.413302   3.93 0.214 0.625 0.381 0.914     334.445     340.000       7.957    9 
-     70000        7000.00      38.198     -26.149      12.049  215.480663   5.91 0.214 0.625 0.426 0.735     346.554     340.000       7.806    9 
-     80000        8000.00      40.106     -10.897      29.209  269.359499   5.19 0.000 1.000 0.591 0.650     363.858     340.000       9.916    9 
-     90000        9000.00      36.297      -8.541      27.756  365.321577   6.12 0.000 1.000 0.545 0.481     329.301     340.000       8.708    9 
-    100000       10000.00      36.780     -21.185      15.595  386.007986   5.14 0.143 0.714 0.383 2.031     333.690     340.000       8.736    9 
-    110000       11000.00      37.951     -19.799      18.152  399.550814   5.76 0.143 0.750 0.449 0.639     344.313     340.000       8.037    9 
-    120000       12000.00      42.173     -17.799      24.374  427.182225   5.91 0.286 0.500 0.295 0.611     382.615     340.000       7.133    9 
-    130000       13000.00      32.076     -35.671      -3.595  439.542881   5.47 0.286 0.600 0.382 0.892     291.006     340.000       7.252    9 
-    140000       14000.00      37.210     -21.379      15.831  459.912320   5.24 0.357 0.583 0.242 0.724     337.592     340.000       7.637    9 
-    150000       15000.00      44.023     -24.461      19.562  460.585579   5.93 0.071 0.909 0.314 0.697     399.401     340.000       7.356    9 
-    160000       16000.00      31.385     -21.672       9.713  475.993373   4.88 0.071 0.875 0.312 0.976     284.739     340.000       7.670    9 
-    170000       17000.00      40.414     -36.659       3.755  514.184101   7.22 0.214 0.700 0.227 1.324     366.656     340.000       6.964    9 
-    180000       18000.00      39.777     -12.985      26.792  529.055342   4.94 0.071 0.875 0.290 1.011     360.875     340.000       7.476    9 
-    190000       19000.00      34.687     -14.357      20.330  555.292484   7.09 0.214 0.400 0.173 0.721     314.702     340.000       8.798    9 
-    200000       20000.00      33.796     -20.265      13.531  586.428389   6.84 0.071 0.833 0.402 0.577     306.615     340.000       8.917    9 
-    210000       21000.00      34.236     -23.355      10.880  650.357777   4.30 0.357 0.286 0.279 1.248     310.604     360.000       7.115    9 
-    220000       22000.00      42.486      -4.618      37.868  707.870490   8.35 0.143 0.000 0.159 0.779     385.459     360.000      11.896    9 
-    230000       23000.00      41.984      -9.889      32.094  723.627376   6.88 0.071 0.000 0.182 1.071     380.897     360.000      11.003    9 
-    240000       24000.00      39.919      -7.019      32.900  771.894367  10.84 0.071 0.000 0.182 0.464     362.165     360.000      14.192    9 
-    250000       25000.00      43.558     -11.690      31.868  815.083013   6.51 0.071 0.857 0.448 0.597     395.181     360.000       6.812    9 
-    260000       26000.00      38.961       0.455      39.416  856.377602   6.38 0.071 0.667 0.303 0.834     353.475     360.000       8.404    9 
-    270000       27000.00      37.560      -8.940      28.620  886.106824   9.70 0.071 0.000 0.227 0.667     340.760     360.000      13.248    9 
-    280000       28000.00      44.004      -1.365      42.639  906.898362   9.36 0.071 0.000 0.182 1.142     399.226     360.000      13.096    9 
-    290000       29000.00      43.403     -10.976      32.426  929.054485   7.66 0.071 0.500 0.159 1.004     393.772     360.000       8.884    9 
-    300000       30000.00      27.269      -4.650      22.619  985.229061   5.51 0.000   NaN   NaN 0.724     247.396     360.000       9.865    9 
-    310000       31000.00      35.710     -10.610      25.100  968.531674   7.75 0.071 0.750 0.159 0.658     323.984     350.000      10.093    9 
-    320000       32000.00      37.713     -11.432      26.280 1017.188986   8.23 0.071 0.500 0.136 0.646     342.151     350.000      11.602    9 
-    330000       33000.00      31.870      -3.425      28.446 1057.075352   4.48 0.143 0.333 0.318 0.678     289.145     350.000       8.632    9 
-    340000       34000.00      39.869     -19.094      20.775 1112.612256   4.36 0.071 0.833 0.394 0.535     361.711     350.000       8.055    9 
-    350000       35000.00      34.360     -12.950      21.409 1157.429519   4.03 0.143 0.500 0.182 0.399     311.729     350.000       8.200    9 
-    360000       36000.00      35.248     -10.177      25.070 1200.320416   4.51 0.000 1.000 0.193 0.361     319.786     350.000       8.384    9 
-    370000       37000.00      37.482      -3.688      33.794 1238.204035   4.93 0.143 0.500 0.500 0.992     340.055     350.000       8.868    9 
-    380000       38000.00      36.924     -17.019      19.905 1253.518378   7.90 0.000   NaN   NaN 0.840     334.990     350.000      11.723    9 
-    390000       39000.00      43.792     -15.871      27.921 1291.329184   5.61 0.071 0.667 0.167 1.028     397.306     350.000       8.262    9 
-    400000       40000.00      39.498     -17.815      21.683 1302.199605   5.13 0.357 0.375 0.278 0.810     358.343     350.000       8.159    9 
-    410000       41000.00      35.976     -28.106       7.870 1283.787870   6.08 0.286 0.765 0.382 0.749     326.390     340.000       6.456    9 
-    420000       42000.00      42.927     -13.698      29.229 1308.381316   5.29 0.286 0.556 0.288 0.562     389.454     340.000       7.058    9 
-    430000       43000.00      29.755     -26.868       2.886 1343.129487   6.02 0.214 0.769 0.441 0.470     269.949     340.000       6.854    9 
-    440000       44000.00      36.376     -11.830      24.546 1399.316969   5.46 0.000 1.000 0.364 0.617     330.020     340.000       9.308    9 
-    450000       45000.00      41.273     -17.701      23.572 1428.630755   3.74 0.286 0.667 0.394 0.491     374.448     340.000       7.120    9 
-    460000       46000.00      43.958     -16.649      27.309 1468.795183   5.14 0.071 0.750 0.386 0.641     398.806     340.000       8.093    9 
-    470000       47000.00      38.471     -22.499      15.972 1494.181578   5.84 0.286 0.500 0.278 0.826     349.029     340.000       7.349    9 
-    480000       48000.00      38.177     -26.501      11.676 1555.096307   4.92 0.214 0.667 0.318 0.825     346.362     340.000       7.031    9 
-    490000       49000.00      35.137     -17.940      17.198 1586.705262   5.71 0.286 0.714 0.380 0.746     318.784     340.000       6.904    9 
-    500000       50000.00      38.574     -25.211      13.364 1611.686799   6.07 0.143 0.714 0.370 0.425     349.967     340.000       7.895    9 
-    510000       51000.00      29.324     -23.239       6.085 1581.864677   5.95 0.143 0.800 0.305 0.764     266.043     330.000       6.839    9 
-    520000       52000.00      36.867     -10.223      26.643 1607.873725   6.97 0.071 0.667 0.197 0.604     334.472     330.000       8.523    9 
-    530000       53000.00      29.755     -19.157      10.598 1618.527647   6.50 0.071 0.667 0.152 0.815     269.955     330.000       9.874    9 
-    540000       54000.00      39.595     -33.828       5.768 1640.718479   4.41 0.286 0.600 0.236 0.463     359.231     330.000       7.030    9 
-    550000       55000.00      36.786     -26.812       9.973 1651.407997   5.18 0.214 0.571 0.448 1.029     333.738     330.000       7.933    9 
-    560000       56000.00      33.045     -26.135       6.910 1684.029398   5.75 0.214 0.750 0.356 0.742     299.799     330.000       6.907    9 
-    570000       57000.00      31.905     -24.315       7.590 1692.074594   4.57 0.143 0.500 0.159 0.420     289.459     330.000       9.534    9 
-    580000       58000.00      37.608     -28.376       9.232 1698.382338   6.30 0.071 0.800 0.155 0.729     341.199     330.000       8.166    9 
-    590000       59000.00      25.489     -28.216      -2.727 1711.069750   4.37 0.143 0.833 0.322 0.562     231.247     330.000       7.706    9 
-    600000       60000.00      34.514     -13.879      20.635 1751.180916   5.61 0.071 0.857 0.325 0.736     313.129     330.000       7.489    9 
-    610000       61000.00      34.668     -31.964       2.704 1725.185717   5.72 0.071 0.929 0.442 0.706     314.528     320.000       6.765    9 
-    620000       62000.00      39.235     -29.005      10.229 1742.071088   5.62 0.071 0.857 0.396 0.578     355.956     320.000       7.607    9 
-    630000       63000.00      31.132     -12.575      18.558 1767.665343   5.57 0.071 0.800 0.464 0.399     282.450     320.000       7.366    9 
-    640000       64000.00      37.862     -31.371       6.491 1784.300143   4.93 0.143 0.846 0.308 0.674     343.503     320.000       7.245    9 
-    650000       65000.00      34.815     -27.785       7.030 1825.486345   8.46 0.214 0.500 0.167 0.794     315.860     320.000      12.017    9 
-    660000       66000.00      31.955     -19.167      12.788 1834.465991   5.32 0.214 0.571 0.182 0.845     289.911     320.000       8.237    9 
-    670000       67000.00      38.328     -21.324      17.004 1842.093725   4.64 0.143 0.714 0.305 1.455     347.735     320.000       7.218    9 
-    680000       68000.00      35.330     -29.119       6.211 1856.502572   4.58 0.357 0.583 0.299 0.631     320.532     320.000       7.470    9 
-    690000       69000.00      35.282     -34.863       0.419 1860.206059   5.79 0.357 0.583 0.239 0.857     320.095     320.000       7.678    9 
-    700000       70000.00      32.792     -27.620       5.172 1883.231695   6.55 0.214 0.727 0.326 0.734     297.507     320.000       7.045    9 
-    710000       71000.00      37.446     -26.469      10.977 1917.183221   5.48 0.214 0.500 0.174 0.811     339.725     320.000       7.522    9 
-    720000       72000.00      37.079     -24.596      12.483 1929.963272   5.13 0.143 0.667 0.280 0.648     336.399     320.000       7.377    9 
-    730000       73000.00      33.350     -32.948       0.402 1939.253844   5.07 0.286 0.692 0.248 0.309     302.566     320.000       6.918    9 
-    740000       74000.00      25.592     -27.898      -2.307 1948.596371   5.33 0.214 0.400 0.218 0.926     232.181     320.000       7.562    9 
-    750000       75000.00      35.948     -14.115      21.833 1966.511234   4.27 0.214 0.400 0.164 1.029     326.139     320.000       8.093    9 
-    760000       76000.00      38.413     -29.209       9.204 1982.984423   5.80 0.214 0.571 0.286 0.552     348.499     320.000       8.779    9 
-    770000       77000.00      41.547     -19.592      21.955 2004.469195   6.47 0.214 0.571 0.312 0.554     376.936     320.000       8.341    9 
-    780000       78000.00      40.638      -9.405      31.232 2010.751165   8.14 0.071 0.500 0.205 0.848     368.686     320.000      11.925    9 
-    790000       79000.00      32.063     -16.400      15.663 2031.070415   7.43 0.143 0.750 0.386 0.439     290.895     320.000       7.423    9 
-    800000       80000.00      41.441     -18.151      23.290 2039.030301   7.25 0.214 0.700 0.232 0.818     375.975     320.000       7.375    9 
-    810000       81000.00      41.754     -28.678      13.077 2007.436905   4.80 0.143 0.800 0.318 1.195     378.818     310.000       6.994    9 
-    820000       82000.00      29.370     -29.782      -0.412 2059.333633   7.72 0.071 0.889 0.369 0.643     266.460     310.000       7.223    9 
-    830000       83000.00      36.482     -26.586       9.896 2088.445820   7.84 0.071 0.800 0.336 1.118     330.983     310.000       7.721    9 
-    840000       84000.00      38.050     -22.811      15.240 2091.711146   6.99 0.143 0.818 0.372 0.490     345.211     310.000       6.923    9 
-    850000       85000.00      26.978     -34.247      -7.269 2098.887707   5.52 0.143 0.778 0.510 0.328     244.759     310.000       6.914    9 
-    860000       86000.00      33.117     -32.667       0.450 2108.981339   4.46 0.143 0.833 0.348 0.650     300.453     310.000       6.860    9 
-    870000       87000.00      43.717     -39.867       3.851 2111.165602   3.89 0.214 0.700 0.445 0.957     396.625     310.000       7.512    9 
-    880000       88000.00      31.134     -40.760      -9.625 2117.445691   4.11 0.214 0.727 0.397 0.599     282.467     310.000       7.538    9 
-    890000       89000.00      43.602     -26.919      16.683 2136.597750   5.22 0.214 0.625 0.210 0.619     395.580     310.000       7.581    9 
-    900000       90000.00      27.891     -28.989      -1.098 2158.410208   5.36 0.214 0.750 0.261 1.146     253.043     310.000       7.073    9 
-    910000       91000.00      32.406     -37.249      -4.843 2094.911178   5.30 0.071 0.917 0.322 1.582     294.006     300.000       6.930    9 
-    920000       92000.00      36.299     -49.471     -13.172 2114.125806   4.76 0.357 0.615 0.336 0.312     329.324     300.000       6.704    9 
-    930000       93000.00      35.782     -33.768       2.014 2126.918988   4.66 0.214 0.667 0.293 0.511     324.635     300.000       7.529    9 
-    940000       94000.00      25.485     -34.564      -9.079 2134.402978   4.89 0.286 0.600 0.305 0.650     231.212     300.000       7.110    9 
-    950000       95000.00      36.328     -29.469       6.859 2145.914831   4.48 0.214 0.700 0.273 0.581     329.582     300.000       7.610    9 
-    960000       96000.00      32.454     -27.793       4.661 2170.643984   4.72 0.357 0.545 0.475 0.482     294.438     300.000       7.283    9 
-    970000       97000.00      34.525     -37.672      -3.147 2189.040564   4.14 0.143 0.818 0.318 0.485     313.230     300.000       6.966    9 
-    980000       98000.00      39.236     -40.505      -1.270 2197.807122   5.65 0.214 0.769 0.399 1.050     355.967     300.000       7.225    9 
-    990000       99000.00      34.391     -34.582      -0.190 2242.076662   5.50 0.214 0.812 0.332 1.248     312.016     300.000       6.920    9 
-   1000000      100000.00      31.903     -35.845      -3.942 2247.412764   4.88 0.143 0.750 0.386 0.472     289.444     300.000       7.231    9 
+     10000        1000.00      40.363      -3.689      36.674   85.840234  12.08 0.071 0.000 0.136 0.744     366.197     340.000      14.670    9 
+     20000        2000.00      34.999      -4.263      30.736  107.153145  11.56 0.071 0.000 0.136 1.504     317.531     340.000      15.322    9 
+     30000        3000.00      36.640       1.478      38.118  126.391923   8.18 0.000 1.000 0.250 1.025     332.417     340.000       8.936    9 
+     40000        4000.00      33.557     -10.909      22.648  166.200766   5.51 0.071 0.750 0.511 0.629     304.449     340.000       8.591    9 
+     50000        5000.00      39.089     -12.225      26.864  215.518841   7.42 0.000 1.000 0.477 0.641     354.634     340.000       7.755    9 
+     60000        6000.00      40.850     -15.446      25.404  257.537594   5.49 0.000 1.000 0.295 1.355     370.613     340.000       8.730    9 
+     70000        7000.00      41.514     -12.338      29.176  306.916004   5.13 0.071 0.667 0.515 0.813     376.640     340.000       7.936    9 
+     80000        8000.00      38.405     -10.534      27.871  337.243418   5.55 0.214 0.571 0.221 1.171     348.429     340.000       8.212    9 
+     90000        9000.00      43.087     -20.868      22.219  371.526083   5.35 0.143 0.750 0.210 0.605     390.904     340.000       8.232    9 
+    100000       10000.00      32.113     -19.713      12.400  382.654300   4.76 0.214 0.571 0.247 0.667     291.347     340.000       7.012    9 
+    110000       11000.00      32.869     -27.475       5.394  409.444280   4.21 0.214 0.727 0.397 0.521     298.207     340.000       6.914    9 
+    120000       12000.00      29.788     -26.272       3.516  435.807670   3.14 0.214 0.769 0.322 0.599     270.257     340.000       6.796    9 
+    130000       13000.00      44.861     -19.633      25.229  438.621726   6.98 0.143 0.600 0.264 0.777     407.004     340.000       8.255    9 
+    140000       14000.00      31.075     -22.900       8.175  475.199007   4.00 0.286 0.200 0.182 0.773     281.930     340.000       7.929    9 
+    150000       15000.00      44.194     -25.969      18.226  480.500780   3.41 0.357 0.545 0.322 1.051     400.954     340.000       7.595    9 
+    160000       16000.00      40.918     -17.350      23.569  496.718174   3.05 0.143 0.667 0.318 0.975     371.234     340.000       7.134    9 
+    170000       17000.00      34.206     -26.509       7.696  517.943214   4.10 0.286 0.667 0.333 0.659     310.332     340.000       7.140    9 
+    180000       18000.00      33.200     -15.410      17.789  535.031627   5.20 0.143 0.714 0.299 1.046     301.207     340.000       7.587    9 
+    190000       19000.00      39.372      -2.493      36.878  559.403300   5.47 0.143 0.333 0.152 0.791     357.200     340.000       9.956    9 
+    200000       20000.00      37.506      -9.678      27.828  618.495254   9.09 0.071 0.000 0.182 1.105     340.274     340.000      12.358    9 
+    210000       21000.00      44.084       1.518      45.602  790.407543   9.37 0.071 0.000 0.182 1.075     399.949     400.000      12.541    9 
+    220000       22000.00      41.404      -3.456      37.948  810.975399   4.81 0.000 1.000 0.227 0.589     375.637     400.000       8.512    9 
+    230000       23000.00      42.513     -12.282      30.231  850.897472   4.61 0.143 0.750 0.352 1.424     385.704     400.000       6.977    9 
+    240000       24000.00      51.582      -5.512      46.070  885.885654   9.65 0.000   NaN   NaN 0.798     467.981     400.000      13.909    9 
+    250000       25000.00      50.737     -10.616      40.122  926.462780   8.88 0.000 1.000 0.273 0.932     460.314     400.000      12.765    9 
+    260000       26000.00      42.991      -6.753      36.237  999.896527   8.87 0.143 0.000 0.159 1.532     390.033     400.000      11.272    9 
+    270000       27000.00      30.023       3.561      33.584 1017.935186   7.07 0.071 0.500 0.409 0.566     272.388     400.000       8.146    9 
+    280000       28000.00      51.938      -9.814      42.124 1067.099211   6.16 0.071 0.667 0.652 2.617     471.207     400.000       8.959    9 
+    290000       29000.00      56.027     -12.579      43.448 1114.186048   6.12 0.071 0.833 0.409 0.514     508.309     400.000       8.482    9 
+    300000       30000.00      53.621      -5.088      48.532 1152.606394   6.44 0.071 0.500 0.273 0.729     486.475     400.000       8.361    9 
+    310000       31000.00      45.083       4.379      49.462 1173.476736   9.34 0.071 0.000 0.136 1.006     409.013     390.000      12.036    9 
+    320000       32000.00      43.410      -1.763      41.648 1238.961480   6.99 0.071 0.667 0.273 1.053     393.842     390.000      10.592    9 
+    330000       33000.00      44.803      -9.287      35.516 1313.765981   7.95 0.214 0.500 0.205 0.628     406.473     390.000       8.523    9 
+    340000       34000.00      34.089      -5.251      28.837 1360.921296   5.68 0.143 0.778 0.515 1.120     309.268     390.000       7.772    9 
+    350000       35000.00      44.997      -4.283      40.715 1433.402489   5.43 0.071 0.667 0.530 0.956     408.237     390.000       9.631    9 
+    360000       36000.00      40.532      -2.434      38.098 1453.935192   6.55 0.000   NaN   NaN 0.611     367.723     390.000       9.975    9 
+    370000       37000.00      35.672      -4.171      31.502 1547.607526   7.07 0.000   NaN   NaN 1.370     323.639     390.000      12.235    9 
+    380000       38000.00      53.408      -1.130      52.278 1618.814770   7.79 0.071 0.500 0.159 0.422     484.547     390.000      10.977    9 
+    390000       39000.00      44.932       0.563      45.494 1702.232403   5.68 0.071 0.800 0.382 1.230     407.643     390.000       8.012    9 
+    400000       40000.00      36.424     -17.989      18.435 1747.417282   5.89 0.000 1.000 0.386 0.996     330.460     390.000       7.126    9 
+    410000       41000.00      41.927       6.433      48.360 1735.134852   9.18 0.000 1.000 0.273 0.958     380.380     380.000      13.601    9 
+    420000       42000.00      39.506     -14.962      24.544 1783.713315   4.58 0.071 0.667 0.500 0.706     358.420     380.000       8.728    9 
+    430000       43000.00      35.001      -1.840      33.161 1802.045800   5.58 0.214 0.000 0.348 0.901     317.547     380.000       8.639    9 
+    440000       44000.00      37.813      -0.782      37.031 1857.720761   9.54 0.143 0.000 0.159 0.662     343.057     380.000      12.408    9 
+    450000       45000.00      46.989      -9.089      37.900 1895.380855   6.86 0.071 0.857 0.325 0.942     426.312     380.000       8.800    9 
+    460000       46000.00      48.749       3.924      52.673 1918.387165   6.63 0.000 1.000 0.481 0.551     442.276     380.000       7.686    9 
+    470000       47000.00      36.196      -9.045      27.151 1961.595055   4.45 0.071 0.800 0.391 0.933     328.387     380.000       8.664    9 
+    480000       48000.00      43.335      -9.015      34.320 1998.481656   8.11 0.071 0.667 0.167 1.075     393.153     380.000      12.036    9 
+    490000       49000.00      47.743      -3.569      44.174 2071.185118   8.78 0.000 1.000 0.205 0.648     433.151     380.000      11.679    9 
+    500000       50000.00      34.493      -7.715      26.778 2135.389536   7.18 0.000 1.000 0.182 0.694     312.936     380.000       9.506    9 
+    510000       51000.00      40.688      -7.500      33.188 2126.553652   5.96 0.000 1.000 0.527 0.592     369.140     370.000       9.228    9 
+    520000       52000.00      42.563      -4.503      38.059 2184.007655   7.67 0.000 1.000 0.250 0.823     386.153     370.000      11.282    9 
+    530000       53000.00      50.846      -0.980      49.866 2207.207982   6.96 0.000 1.000 0.159 0.605     461.298     370.000      11.677    9 
+    540000       54000.00      40.210      -4.322      35.887 2230.663244   3.86 0.000   NaN   NaN 0.440     364.802     370.000       8.401    9 
+    550000       55000.00      35.009      -7.634      27.374 2254.518627   8.25 0.071 0.500 0.227 0.858     317.619     370.000      10.135    9 
+    560000       56000.00      38.671     -12.793      25.878 2279.135449   5.50 0.143 0.714 0.240 0.501     350.844     370.000       7.885    9 
+    570000       57000.00      41.073     -14.922      26.151 2309.225827   6.32 0.071 0.833 0.227 0.395     372.638     370.000       7.300    9 
+    580000       58000.00      46.161     -16.219      29.942 2322.924453   5.49 0.071 0.667 0.182 0.954     418.792     370.000       7.522    9 
+    590000       59000.00      47.254     -10.031      37.223 2368.836235   5.99 0.071 0.750 0.386 1.413     428.711     370.000       8.100    9 
+    600000       60000.00      46.190     -12.736      33.454 2405.209033   3.79 0.357 0.375 0.312 0.782     419.060     370.000       7.615    9 
+    610000       61000.00      40.299     -11.074      29.225 2370.601139   3.93 0.214 0.500 0.326 0.560     365.617     360.000       7.022    9 
+    620000       62000.00      42.364     -20.200      22.164 2387.107840   5.56 0.143 0.750 0.205 1.055     384.348     360.000       8.326    9 
+    630000       63000.00      46.896       0.560      47.456 2432.636724  10.38 0.000   NaN   NaN 1.027     425.467     360.000      14.505    9 
+    640000       64000.00      35.958     -13.984      21.974 2494.142290   7.90 0.000 1.000 0.242 0.754     326.229     360.000      10.286    9 
+    650000       65000.00      42.018     -11.239      30.778 2543.609519   6.53 0.000 1.000 0.258 0.485     381.206     360.000       7.766    9 
+    660000       66000.00      34.478     -14.873      19.605 2577.670214   5.60 0.143 0.500 0.375 0.750     312.802     360.000       9.379    9 
+    670000       67000.00      40.809     -16.392      24.417 2592.737884   5.86 0.143 0.750 0.472 0.942     370.242     360.000       7.044    9 
+    680000       68000.00      42.351       1.749      44.100 2606.261217   5.07 0.071 0.750 0.216 1.226     384.232     360.000       8.072    9 
+    690000       69000.00      35.972      -5.806      30.166 2636.327464   5.83 0.000 1.000 0.330 0.542     326.357     360.000       9.554    9 
+    700000       70000.00      31.240     -21.799       9.441 2692.196695   5.27 0.143 0.750 0.347 0.713     283.427     360.000       7.214    9 
+    710000       71000.00      38.433      -0.928      37.505 2972.072440   5.75 0.143 0.750 0.341 1.311     348.685     390.000       7.791    9 
+    720000       72000.00      35.869       2.529      38.397 3011.341282   4.90 0.000   NaN   NaN 1.156     325.419     390.000       9.847    9 
+    730000       73000.00      44.023      -1.838      42.185 3047.220775  12.67 0.000   NaN   NaN 0.431     399.399     390.000      16.722    9 
+    740000       74000.00      41.272       1.801      43.073 3072.694775   6.49 0.143 0.333 0.152 0.833     374.442     390.000      10.884    9 
+    750000       75000.00      54.007       0.844      54.851 3088.396817   6.92 0.071 0.500 0.227 0.817     489.983     390.000      10.556    9 
+    760000       76000.00      44.885     -12.414      32.471 3104.367182   5.85 0.071 0.875 0.483 1.818     407.221     390.000       7.617    9 
+    770000       77000.00      41.451      -3.462      37.989 3149.381993   5.50 0.000 1.000 0.500 0.746     376.062     390.000       9.703    9 
+    780000       78000.00      44.311      -7.693      36.618 3187.661466   4.36 0.214 0.500 0.280 1.477     402.015     390.000       8.138    9 
+    790000       79000.00      34.695      -9.891      24.804 3228.105004   6.81 0.071 0.750 0.284 0.753     314.775     390.000       9.540    9 
+    800000       80000.00      40.248      -8.755      31.493 3256.524677   5.71 0.071 0.500 0.205 0.354     365.149     390.000       9.586    9 
+    810000       81000.00      44.985       0.835      45.820 3208.059025   5.27 0.071 0.500 0.159 0.441     408.126     380.000      10.267    9 
+    820000       82000.00      44.827      -3.850      40.977 3313.062303   7.48 0.071 0.667 0.167 0.366     406.698     380.000      11.270    9 
+    830000       83000.00      54.061      -4.559      49.502 3363.974653   6.28 0.071 0.667 0.167 1.339     490.468     380.000      10.092    9 
+    840000       84000.00      45.884      -4.284      41.600 3390.476399  10.67 0.071 0.000 0.136 0.896     416.280     380.000      13.772    9 
+    850000       85000.00      48.651      -9.593      39.058 3416.448865   9.41 0.000   NaN   NaN 0.961     441.390     380.000      13.062    9 
+    860000       86000.00      38.543     -16.171      22.373 3421.351818   5.28 0.071 0.750 0.318 1.378     349.684     380.000       7.323    9 
+    870000       87000.00      50.847      -5.372      45.475 3444.299476   7.47 0.000 1.000 0.318 0.651     461.312     380.000      11.397    9 
+    880000       88000.00      42.418      -1.325      41.093 3469.041272   8.56 0.000 1.000 0.227 0.555     384.834     380.000      10.929    9 
+    890000       89000.00      57.876     -13.730      44.146 3508.996968   7.83 0.071 0.500 0.159 1.474     525.080     380.000      11.086    9 
+    900000       90000.00      39.428      -4.427      35.001 3537.757358   5.42 0.143 0.333 0.273 0.713     357.714     380.000       8.998    9 
+    910000       91000.00      40.185      -3.992      36.193 3466.739246   4.56 0.143 0.500 0.523 0.779     364.583     370.000       8.599    9 
+    920000       92000.00      38.376      -1.994      36.382 3489.049923   8.22 0.000   NaN   NaN 0.655     348.167     370.000      11.900    9 
+    930000       93000.00      38.808      -2.786      36.022 3548.191435   8.72 0.071 0.500 0.227 0.640     352.090     370.000      11.553    9 
+    940000       94000.00      35.906     -23.757      12.148 3575.651629   4.95 0.286 0.556 0.313 0.847     325.756     370.000       8.019    9 
+    950000       95000.00      47.946     -21.050      26.896 3590.673413   5.20 0.286 0.600 0.364 0.530     434.989     370.000       7.097    9 
+    960000       96000.00      40.283     -26.182      14.101 3608.325699   3.65 0.143 0.833 0.402 0.634     365.468     370.000       7.156    9 
+    970000       97000.00      34.538       1.118      35.656 3639.409804   4.97 0.143 0.500 0.261 1.172     313.346     370.000       8.578    9 
+    980000       98000.00      37.858       0.661      38.519 3688.411155   5.60 0.000 1.000 0.205 0.383     343.466     370.000      10.260    9 
+    990000       99000.00      27.453     -13.258      14.195 3703.561509   4.28 0.143 0.600 0.236 0.631     249.067     370.000       8.510    9 
+   1000000      100000.00      28.299     -15.747      12.552 3788.184324   4.73 0.143 0.333 0.439 0.491     256.747     370.000       9.182    9 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB010.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB010.stat
index 492b84c..5e7f2f7 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB010.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB010.stat
@@ -1,101 +1,101 @@
          0           0.00      40.911      24.593      65.504    0.000000  12.87 0.000   NaN   NaN 0.708     371.162     350.000      15.552   10 
-     10000        1000.00      30.653     -12.483      18.170   19.352603   5.85 0.000 1.000 0.242 0.720     278.098     350.000      10.701   10 
-     20000        2000.00      35.064      -5.773      29.291   53.497401   9.15 0.071 0.500 0.159 0.675     318.118     350.000      12.686   10 
-     30000        3000.00      30.259     -10.832      19.427   68.456337  11.49 0.000 1.000 0.212 1.264     274.529     350.000      14.134   10 
-     40000        4000.00      42.247      -8.935      33.312   90.424609   6.08 0.071 0.000 0.136 0.700     383.284     350.000      10.972   10 
-     50000        5000.00      41.455     -14.957      26.498  120.709274   5.54 0.071 0.500 0.432 1.011     376.100     350.000       8.455   10 
-     60000        6000.00      47.226     -11.709      35.517  170.190178   5.97 0.071 0.750 0.432 0.672     428.463     350.000       9.356   10 
-     70000        7000.00      33.468     -24.347       9.120  187.472392   5.26 0.143 0.750 0.449 0.923     303.638     350.000       7.187   10 
-     80000        8000.00      35.834     -12.239      23.594  234.192960   5.90 0.071 0.889 0.394 0.597     325.101     350.000       7.704   10 
-     90000        9000.00      34.843     -19.055      15.788  245.368339   5.69 0.143 0.778 0.338 1.428     316.114     350.000       7.402   10 
-    100000       10000.00      42.249     -18.457      23.791  303.851198   5.31 0.071 0.750 0.341 0.721     383.301     350.000       8.575   10 
-    110000       11000.00      41.279      -7.783      33.496  365.039805   6.16 0.000 1.000 0.523 1.108     374.501     350.000       9.083   10 
-    120000       12000.00      40.633     -10.111      30.522  387.481071   5.93 0.000 1.000 0.424 1.236     368.640     350.000       8.425   10 
-    130000       13000.00      36.489      -2.469      34.020  436.731049   5.72 0.143 0.600 0.391 0.481     331.044     350.000       8.135   10 
-    140000       14000.00      42.847      -3.980      38.867  453.675824   4.02 0.071 0.875 0.295 0.842     388.727     350.000       7.563   10 
-    150000       15000.00      29.978     -10.054      19.924  487.520779   5.09 0.214 0.500 0.364 0.586     271.972     350.000       8.253   10 
-    160000       16000.00      43.889     -13.511      30.379  564.423434   5.47 0.000 1.000 0.508 0.911     398.184     350.000       8.552   10 
-    170000       17000.00      41.947     -17.973      23.974  638.703598   5.34 0.000   NaN   NaN 1.257     380.564     350.000       7.618   10 
-    180000       18000.00      35.771       2.789      38.560  668.924129   6.07 0.000 1.000 0.205 1.143     324.533     350.000       9.766   10 
-    190000       19000.00      42.999     -10.229      32.770  748.861063   8.85 0.000 1.000 0.227 0.697     390.113     350.000      11.925   10 
-    200000       20000.00      38.985      -4.876      34.108  802.844441   8.25 0.000 1.000 0.182 0.970     353.688     350.000      11.582   10 
-    210000       21000.00      38.830       0.248      39.078  833.239502   8.24 0.000   NaN   NaN 0.674     352.282     340.000      12.440   10 
-    220000       22000.00      36.096     -14.806      21.290  845.504263   6.75 0.143 0.714 0.253 0.546     327.482     340.000       7.749   10 
-    230000       23000.00      30.352      -7.748      22.604  883.048770   5.51 0.071 0.750 0.170 0.836     275.366     340.000       9.265   10 
-    240000       24000.00      41.817     -13.342      28.475  915.353629   8.30 0.000 1.000 0.136 0.798     379.382     340.000      12.002   10 
-    250000       25000.00      33.710     -21.159      12.550  956.022221   6.50 0.143 0.800 0.400 0.574     305.832     340.000       7.182   10 
-    260000       26000.00      32.856     -13.978      18.878  997.795355   6.06 0.143 0.600 0.200 1.707     298.088     340.000       9.250   10 
-    270000       27000.00      51.672     -11.659      40.013 1023.203854   7.11 0.000 1.000 0.561 1.042     468.791     340.000       7.896   10 
-    280000       28000.00      32.342     -15.913      16.428 1059.808586   4.64 0.071 0.750 0.398 0.935     293.421     340.000       8.210   10 
-    290000       29000.00      36.181     -17.310      18.871 1115.530646   5.01 0.071 0.500 0.318 0.671     328.249     340.000       8.868   10 
-    300000       30000.00      39.441     -11.022      28.419 1156.786133   4.89 0.000 1.000 0.418 0.950     357.834     340.000       8.692   10 
-    310000       31000.00      39.443      -9.572      29.871 1320.859018   5.77 0.071 0.500 0.227 0.582     357.850     380.000       9.934   10 
-    320000       32000.00      33.341       0.067      33.408 1343.056539   6.88 0.071 0.500 0.182 0.350     302.489     380.000      11.534   10 
-    330000       33000.00      35.076      -8.662      26.414 1363.267291   6.27 0.071 0.667 0.197 2.243     318.230     380.000      10.134   10 
-    340000       34000.00      44.692     -20.763      23.929 1408.438313   4.79 0.071 0.800 0.364 0.798     405.466     380.000       7.678   10 
-    350000       35000.00      34.901     -10.453      24.448 1457.186791   4.39 0.071 0.750 0.341 0.936     316.641     380.000       8.631   10 
-    360000       36000.00      36.214      -4.679      31.535 1485.305752   5.40 0.143 0.714 0.253 1.233     328.548     380.000       8.429   10 
-    370000       37000.00      36.623     -16.532      20.091 1548.857733   5.78 0.071 0.800 0.473 0.450     332.263     380.000       8.502   10 
-    380000       38000.00      50.353     -16.667      33.686 1582.023703   4.73 0.143 0.846 0.448 1.262     456.831     380.000       7.552   10 
-    390000       39000.00      31.456     -18.378      13.078 1621.162643   5.18 0.214 0.250 0.239 0.648     285.385     380.000       8.608   10 
-    400000       40000.00      36.056       1.587      37.643 1648.986702   5.76 0.143 0.500 0.193 1.376     327.121     380.000       9.058   10 
-    410000       41000.00      35.470     -11.330      24.140 1631.138037   6.93 0.143 0.600 0.200 0.361     321.800     370.000       9.815   10 
-    420000       42000.00      50.484       5.834      56.318 1655.739743   7.63 0.071 0.800 0.318 0.380     458.021     370.000       8.030   10 
-    430000       43000.00      36.446      -6.386      30.060 1679.398428   5.93 0.000 1.000 0.330 0.766     330.656     370.000       7.875   10 
-    440000       44000.00      46.857     -19.241      27.616 1711.198321   5.16 0.071 0.500 0.182 0.668     425.109     370.000       8.949   10 
-    450000       45000.00      36.943     -10.681      26.261 1723.558353   5.20 0.071 0.750 0.682 0.491     335.164     370.000       9.348   10 
-    460000       46000.00      39.775      -8.755      31.020 1778.472639   4.86 0.143 0.600 0.391 0.777     360.860     370.000       8.991   10 
-    470000       47000.00      42.003      15.273      57.277 1816.478907   6.60 0.000 1.000 0.236 0.939     381.076     370.000      11.069   10 
-    480000       48000.00      44.042     -12.077      31.965 1827.112762   6.23 0.071 0.857 0.344 0.787     399.573     370.000       7.255   10 
-    490000       49000.00      36.938      -6.778      30.160 1905.842887   5.52 0.000   NaN   NaN 1.569     335.121     370.000       9.057   10 
-    500000       50000.00      36.479     -13.756      22.723 1948.938326   6.52 0.143 0.600 0.318 0.793     330.956     370.000       8.020   10 
-    510000       51000.00      38.592     -15.041      23.552 1925.768793   6.15 0.071 0.875 0.477 0.840     350.127     360.000       8.092   10 
-    520000       52000.00      35.473     -10.812      24.661 1939.292299   5.61 0.071 0.909 0.405 0.388     321.833     360.000       8.157   10 
-    530000       53000.00      43.084      -4.054      39.030 1965.845674   6.26 0.071 0.667 0.167 0.582     390.877     360.000       9.886   10 
-    540000       54000.00      43.213      -0.268      42.945 2016.487724   6.21 0.071 0.750 0.364 0.570     392.050     360.000       7.897   10 
-    550000       55000.00      48.628     -11.380      37.247 2055.097310   7.49 0.071 0.000 0.182 1.506     441.178     360.000      10.599   10 
-    560000       56000.00      45.079     -13.486      31.593 2096.414184   7.44 0.071 0.833 0.341 0.593     408.980     360.000       7.240   10 
-    570000       57000.00      36.147       0.648      36.795 2127.595824   8.02 0.000   NaN   NaN 0.616     327.941     360.000      12.091   10 
-    580000       58000.00      39.550      -0.364      39.186 2200.875268  10.35 0.071 0.000 0.136 0.941     358.817     360.000      13.578   10 
-    590000       59000.00      36.417      -4.687      31.730 2226.536426   7.12 0.000 1.000 0.182 0.927     330.394     360.000      10.525   10 
-    600000       60000.00      49.879     -11.147      38.733 2298.499837   6.32 0.000 1.000 0.205 0.895     452.531     360.000      10.185   10 
-    610000       61000.00      37.178      -4.653      32.524 2388.896198   6.43 0.071 0.500 0.341 0.412     337.296     370.000       8.641   10 
-    620000       62000.00      38.505     -31.150       7.355 2417.229761   2.92 0.429 0.500 0.348 0.608     349.339     370.000       7.169   10 
-    630000       63000.00      30.894     -20.899       9.995 2458.683791   3.09 0.143 0.000 0.182 0.619     280.286     370.000       8.668   10 
-    640000       64000.00      36.510     -11.018      25.492 2485.201397   8.73 0.071 0.667 0.182 0.692     331.234     370.000      11.826   10 
-    650000       65000.00      35.160     -12.833      22.327 2525.583248   6.06 0.000 1.000 0.258 0.759     318.988     370.000       8.962   10 
-    660000       66000.00      39.820     -10.357      29.463 2563.333921   4.00 0.071 0.667 0.182 1.087     361.268     370.000       8.004   10 
-    670000       67000.00      48.452     -12.770      35.682 2595.173530   4.29 0.143 0.600 0.300 1.401     439.580     370.000       7.339   10 
-    680000       68000.00      40.042      -5.852      34.190 2606.517825   5.40 0.000 1.000 0.409 0.517     363.281     370.000       9.482   10 
-    690000       69000.00      37.109      -9.923      27.187 2643.501865   7.84 0.143 0.667 0.189 0.476     336.676     370.000      10.582   10 
-    700000       70000.00      29.479     -10.701      18.778 2690.702166   4.06 0.143 0.333 0.167 0.680     267.452     370.000       8.393   10 
-    710000       71000.00      40.499     -15.997      24.502 2690.328529   5.77 0.000 1.000 0.500 0.428     367.429     360.000       8.395   10 
-    720000       72000.00      38.833     -15.461      23.372 2738.997747   6.06 0.071 0.875 0.449 1.160     352.312     360.000       8.396   10 
-    730000       73000.00      39.936      -9.257      30.679 2770.127304   6.58 0.214 0.667 0.379 1.267     362.319     360.000       7.470   10 
-    740000       74000.00      36.491      -6.887      29.604 2812.061986   6.09 0.286 0.000 0.250 0.542     331.067     360.000       8.344   10 
-    750000       75000.00      44.743      -1.135      43.608 2867.717588   8.06 0.000   NaN   NaN 1.228     405.929     360.000      12.399   10 
-    760000       76000.00      47.044     -11.455      35.589 2928.847361   5.38 0.143 0.667 0.348 2.296     426.812     360.000       7.861   10 
-    770000       77000.00      38.603     -13.125      25.479 2970.688557   7.06 0.143 0.818 0.343 0.995     350.229     360.000       6.515   10 
-    780000       78000.00      30.038      -3.505      26.533 2999.709556   6.46 0.143 0.333 0.136 0.586     272.518     360.000       9.920   10 
-    790000       79000.00      39.480      -3.557      35.924 3026.068809   8.04 0.071 0.000 0.136 0.924     358.185     360.000      12.791   10 
-    800000       80000.00      43.361      -2.601      40.760 3048.687900   4.09 0.071 0.750 0.455 0.446     393.390     360.000       8.135   10 
-    810000       81000.00      32.275     -18.861      13.413 2999.276330   3.86 0.214 0.571 0.370 0.963     292.813     350.000       7.454   10 
-    820000       82000.00      41.879     -14.238      27.641 3032.181245   3.79 0.143 0.600 0.455 0.983     379.948     350.000       7.834   10 
-    830000       83000.00      38.333     -11.140      27.193 3076.007574   4.73 0.071 0.750 0.523 1.027     347.774     350.000       7.355   10 
-    840000       84000.00      34.966     -11.892      23.075 3117.707055   4.14 0.286 0.200 0.400 0.464     317.232     350.000       7.640   10 
-    850000       85000.00      40.046     -21.626      18.420 3127.348210   4.66 0.143 0.600 0.191 0.468     363.318     350.000       7.117   10 
-    860000       86000.00      40.656     -22.410      18.246 3140.839281   6.61 0.143 0.667 0.364 0.472     368.849     350.000       9.317   10 
-    870000       87000.00      41.320     -27.371      13.948 3160.637327   3.78 0.571 0.385 0.364 1.133     374.874     350.000       6.583   10 
-    880000       88000.00      31.014     -14.504      16.510 3174.499348   6.90 0.071 0.833 0.265 0.471     281.372     350.000       8.963   10 
-    890000       89000.00      36.243      -5.608      30.635 3192.058955   9.55 0.214 0.000 0.152 1.364     328.811     350.000      13.789   10 
-    900000       90000.00      35.492      -6.484      29.008 3238.968233   9.34 0.000 1.000 0.159 0.866     322.003     350.000      13.467   10 
-    910000       91000.00      50.386      -7.723      42.662 3766.071514   6.72 0.071 0.000 0.182 0.853     457.124     400.000      10.796   10 
-    920000       92000.00      49.859      -2.851      47.007 3791.801448   5.36 0.000 1.000 0.409 0.402     452.346     400.000       9.068   10 
-    930000       93000.00      49.650      -1.089      48.561 3850.756105   6.49 0.000   NaN   NaN 0.615     450.454     400.000       9.085   10 
-    940000       94000.00      47.569      -9.123      38.447 3908.318389   6.83 0.000 1.000 0.205 0.951     431.572     400.000       9.974   10 
-    950000       95000.00      43.609     -10.559      33.050 3980.466988   5.74 0.071 0.750 0.216 1.120     395.645     400.000       9.373   10 
-    960000       96000.00      55.313      -4.053      51.260 4074.839037   8.19 0.000   NaN   NaN 0.666     501.825     400.000      12.824   10 
-    970000       97000.00      47.249      -9.442      37.807 4130.752770   5.86 0.071 0.000 0.182 1.172     428.671     400.000       9.371   10 
-    980000       98000.00      41.095      13.493      54.588 4189.523735   5.42 0.071 0.750 0.545 0.888     372.834     400.000       7.644   10 
-    990000       99000.00      39.529      -9.426      30.103 4222.246201   3.53 0.143 0.500 0.148 0.810     358.627     400.000       7.939   10 
-   1000000      100000.00      43.031      -9.034      33.997 4273.682792   5.02 0.143 0.667 0.212 0.650     390.401     400.000       7.590   10 
+     10000        1000.00      41.696      -1.279      40.417   47.680192   8.30 0.000   NaN   NaN 0.723     378.283     350.000      10.975   10 
+     20000        2000.00      43.794      -7.760      36.035   81.949977   5.88 0.000 1.000 0.636 0.844     397.325     350.000       9.786   10 
+     30000        3000.00      39.100      -8.502      30.598  106.013478   8.03 0.000 1.000 0.250 1.060     354.735     350.000      10.973   10 
+     40000        4000.00      38.873      -5.174      33.698  150.789123   8.30 0.000   NaN   NaN 0.606     352.674     350.000      12.902   10 
+     50000        5000.00      33.016     -12.508      20.507  177.411022   4.91 0.071 0.667 0.394 0.846     299.536     350.000       8.574   10 
+     60000        6000.00      42.549      -5.337      37.212  233.429586   7.13 0.071 0.667 0.212 0.667     386.023     350.000      10.233   10 
+     70000        7000.00      37.615     -16.595      21.020  258.538001   6.80 0.071 0.750 0.227 0.365     341.265     350.000       9.402   10 
+     80000        8000.00      45.969     -17.542      28.427  298.786036   7.97 0.071 0.750 0.193 1.291     417.056     350.000       8.010   10 
+     90000        9000.00      41.730      -9.451      32.279  314.229873   5.03 0.071 0.875 0.443 0.708     378.598     350.000       7.830   10 
+    100000       10000.00      32.130      -2.912      29.218  353.161061   5.99 0.071 0.500 0.159 0.688     291.499     350.000       9.030   10 
+    110000       11000.00      42.129     -10.914      31.215  400.628548   5.05 0.071 0.500 0.182 0.575     382.219     350.000       9.125   10 
+    120000       12000.00      34.162     -12.528      21.634  435.825067   5.54 0.000 1.000 0.530 0.682     309.939     350.000       8.426   10 
+    130000       13000.00      50.233      -6.777      43.456  459.916307   6.03 0.000 1.000 0.370 0.816     455.736     350.000       7.154   10 
+    140000       14000.00      39.377      -6.675      32.702  560.331367   8.45 0.000 1.000 0.303 0.798     357.251     350.000      12.131   10 
+    150000       15000.00      43.054     -21.106      21.948  647.573044   6.14 0.143 0.800 0.500 1.067     390.609     350.000       7.312   10 
+    160000       16000.00      40.591     -24.220      16.371  746.872748   6.75 0.071 0.857 0.422 0.429     368.262     350.000       7.489   10 
+    170000       17000.00      34.431      -3.285      31.146  765.292218   8.34 0.000 1.000 0.227 0.701     312.378     350.000      11.545   10 
+    180000       18000.00      44.603     -13.746      30.856  787.439994   7.46 0.000   NaN   NaN 0.551     404.659     350.000      12.154   10 
+    190000       19000.00      45.979     -12.825      33.154  808.054750   6.32 0.071 0.800 0.227 1.092     417.144     350.000       8.376   10 
+    200000       20000.00      41.875     -28.415      13.460  817.742667   3.81 0.143 0.750 0.256 0.841     379.908     350.000       7.579   10 
+    210000       21000.00      32.760     -33.640      -0.881  808.479194   4.02 0.214 0.667 0.359 0.954     297.212     340.000       7.301   10 
+    220000       22000.00      42.000     -21.733      20.267  829.294504   4.37 0.214 0.500 0.394 0.752     381.047     340.000       8.704   10 
+    230000       23000.00      37.786     -25.363      12.423  850.376838   4.08 0.214 0.667 0.328 0.433     342.817     340.000       7.575   10 
+    240000       24000.00      38.213     -20.838      17.375  862.182701   4.30 0.214 0.500 0.386 0.671     346.688     340.000       7.760   10 
+    250000       25000.00      36.184     -28.683       7.501  899.026153   4.63 0.357 0.444 0.399 0.661     328.276     340.000       7.114   10 
+    260000       26000.00      47.729     -18.452      29.277  912.652902   5.22 0.286 0.600 0.395 0.812     433.023     340.000       7.332   10 
+    270000       27000.00      46.871     -17.460      29.412  928.714756   4.63 0.286 0.429 0.390 0.789     425.242     340.000       7.958   10 
+    280000       28000.00      45.420     -13.575      31.845  963.604032   4.43 0.214 0.250 0.250 0.523     412.071     340.000       9.108   10 
+    290000       29000.00      38.533     -26.292      12.241  986.856873   5.32 0.214 0.625 0.403 0.743     349.588     340.000       7.542   10 
+    300000       30000.00      33.289     -31.934       1.355 1016.565183   4.54 0.286 0.667 0.371 0.494     302.013     340.000       7.452   10 
+    310000       31000.00      42.903     -14.211      28.692  989.906882   7.50 0.143 0.333 0.182 0.654     389.234     330.000      11.760   10 
+    320000       32000.00      34.251     -19.404      14.846 1004.892088   5.97 0.143 0.600 0.264 1.169     310.742     330.000       9.222   10 
+    330000       33000.00      48.542     -27.428      21.113 1006.532386   5.41 0.286 0.692 0.290 0.924     440.395     330.000       7.113   10 
+    340000       34000.00      39.399     -30.843       8.556 1016.935702   4.10 0.214 0.400 0.500 0.732     357.452     330.000       7.492   10 
+    350000       35000.00      26.360     -13.529      12.832 1035.445332   5.05 0.143 0.000 0.136 0.826     239.153     330.000       9.263   10 
+    360000       36000.00      32.711     -24.648       8.063 1039.250094   5.82 0.143 0.750 0.222 0.778     296.772     330.000       7.676   10 
+    370000       37000.00      41.452     -24.015      17.437 1086.844163   5.79 0.071 0.857 0.364 0.713     376.075     330.000       7.353   10 
+    380000       38000.00      36.260      -7.820      28.440 1116.696193   5.58 0.143 0.500 0.239 0.600     328.970     330.000       7.575   10 
+    390000       39000.00      40.900     -21.516      19.384 1126.750902   6.40 0.214 0.500 0.189 0.623     371.066     330.000       9.388   10 
+    400000       40000.00      32.629      -0.786      31.844 1136.182052   6.10 0.000 1.000 0.500 0.940     296.031     330.000       8.811   10 
+    410000       41000.00      41.694       4.681      46.375 1436.007451   4.19 0.071 0.750 0.375 0.540     378.270     400.000       8.377   10 
+    420000       42000.00      47.111      -1.321      45.790 1511.170911   6.45 0.000 1.000 0.227 0.826     427.417     400.000      10.229   10 
+    430000       43000.00      30.633      -5.316      25.317 1567.930201   7.57 0.000 1.000 0.318 0.339     277.916     400.000      10.873   10 
+    440000       44000.00      50.148       9.228      59.376 1630.198215   9.21 0.000 1.000 0.273 1.515     454.970     400.000      13.490   10 
+    450000       45000.00      48.918       0.790      49.708 1752.130207   7.34 0.000 1.000 0.227 0.704     443.808     400.000      11.762   10 
+    460000       46000.00      44.086       3.816      47.901 1808.390525   8.41 0.000   NaN   NaN 0.721     399.967     400.000      13.057   10 
+    470000       47000.00      45.086      -9.783      35.304 1822.409004   6.17 0.071 0.000 0.182 0.764     409.046     400.000      11.234   10 
+    480000       48000.00      45.955       0.300      46.255 1833.529010   8.34 0.000   NaN   NaN 1.418     416.929     400.000      13.143   10 
+    490000       49000.00      54.838      -6.324      48.515 1870.492798   6.68 0.000 1.000 0.295 1.003     497.520     400.000      10.771   10 
+    500000       50000.00      37.015       4.246      41.261 1920.162119  10.20 0.000   NaN   NaN 0.499     335.817     400.000      14.615   10 
+    510000       51000.00      47.139      -0.539      46.600 1976.354049   6.48 0.000 1.000 0.273 0.616     427.665     400.000       8.453   10 
+    520000       52000.00      43.479      -2.499      40.980 2023.726454   7.18 0.000   NaN   NaN 0.663     394.462     400.000      11.084   10 
+    530000       53000.00      41.412       3.692      45.103 2050.334453   5.52 0.000 1.000 0.318 1.128     375.709     400.000       8.957   10 
+    540000       54000.00      40.802      -6.119      34.684 2083.229810   7.36 0.000 1.000 0.197 1.029     370.180     400.000       9.596   10 
+    550000       55000.00      38.951       7.192      46.143 2126.750551   9.89 0.000 1.000 0.227 0.806     353.385     400.000      12.570   10 
+    560000       56000.00      41.230      -6.325      34.905 2139.146261   8.97 0.071 0.500 0.159 1.901     374.060     400.000      12.448   10 
+    570000       57000.00      39.946      -4.421      35.525 2158.379012   9.81 0.000   NaN   NaN 0.942     362.412     400.000      13.562   10 
+    580000       58000.00      35.453      15.282      50.736 2174.414245   4.70 0.000   NaN   NaN 1.181     321.652     400.000       9.620   10 
+    590000       59000.00      38.279      -6.035      32.244 2226.561299   5.80 0.000 1.000 0.705 1.028     347.288     400.000       9.794   10 
+    600000       60000.00      45.006      -7.973      37.033 2270.500862   8.58 0.000 1.000 0.182 0.753     408.316     400.000      11.759   10 
+    610000       61000.00      39.692      -2.136      37.556 2254.612307   7.61 0.000   NaN   NaN 0.943     360.107     390.000      11.548   10 
+    620000       62000.00      34.704      -5.047      29.657 2264.844143   5.29 0.071 0.750 0.580 0.878     314.852     390.000       9.010   10 
+    630000       63000.00      43.566      -2.717      40.848 2304.194243   5.42 0.000   NaN   NaN 0.813     395.250     390.000      10.435   10 
+    640000       64000.00      44.186      -5.455      38.731 2336.807472  10.71 0.000 1.000 0.295 1.068     400.875     390.000      13.027   10 
+    650000       65000.00      45.845      -3.455      42.389 2373.021245   7.75 0.000 1.000 0.182 0.917     415.926     390.000      11.899   10 
+    660000       66000.00      37.002      -4.743      32.259 2454.627145   7.91 0.071 0.500 0.295 0.569     335.706     390.000      11.199   10 
+    670000       67000.00      39.753      -3.929      35.823 2478.645384   5.65 0.000   NaN   NaN 0.587     360.656     390.000       9.672   10 
+    680000       68000.00      31.463     -10.215      21.248 2520.854480   4.93 0.071 0.500 0.364 0.951     285.448     390.000       9.046   10 
+    690000       69000.00      52.168     -10.032      42.136 2588.408222   5.95 0.143 0.500 0.534 1.133     473.295     390.000       8.398   10 
+    700000       70000.00      36.073     -12.479      23.594 2616.359981   7.20 0.071 0.800 0.318 0.966     327.272     390.000       8.354   10 
+    710000       71000.00      60.981       6.486      67.467 2597.569893   6.74 0.000   NaN   NaN 0.973     553.249     380.000      10.951   10 
+    720000       72000.00      55.411       6.609      62.020 2646.529494   8.05 0.143 0.500 0.159 1.207     502.715     380.000      12.137   10 
+    730000       73000.00      41.522     -11.164      30.358 2662.662955  12.25 0.071 0.000 0.136 1.096     376.708     380.000      15.539   10 
+    740000       74000.00      52.891      -8.924      43.967 2684.045996   5.00 0.143 0.600 0.255 0.907     479.856     380.000       7.902   10 
+    750000       75000.00      41.150     -17.555      23.595 2711.342127   8.24 0.071 0.857 0.292 0.975     373.333     380.000      10.106   10 
+    760000       76000.00      51.653     -18.108      33.545 2727.460763   9.38 0.000 1.000 0.205 0.533     468.626     380.000      12.767   10 
+    770000       77000.00      38.996     -12.083      26.913 2754.548626   6.10 0.143 0.667 0.432 0.469     353.790     380.000       8.249   10 
+    780000       78000.00      41.983     -12.130      29.853 2813.790014   6.92 0.071 0.667 0.303 1.290     380.891     380.000       9.254   10 
+    790000       79000.00      39.761      -3.192      36.569 2832.701705   4.62 0.143 0.333 0.136 1.853     360.733     380.000       9.321   10 
+    800000       80000.00      45.437       3.546      48.983 2863.956187   4.27 0.214 0.571 0.539 1.570     412.226     380.000       7.713   10 
+    810000       81000.00      44.790      -7.514      37.275 3045.426080   8.43 0.000 1.000 0.136 1.370     406.354     400.000      10.956   10 
+    820000       82000.00      51.907      -0.800      51.107 3071.000224   7.67 0.000   NaN   NaN 0.568     470.931     400.000      12.541   10 
+    830000       83000.00      54.640       5.028      59.668 3133.683282   5.46 0.000 1.000 0.318 1.080     495.723     400.000       9.916   10 
+    840000       84000.00      36.467       0.605      37.071 3147.732636   4.98 0.071 0.000 0.136 0.661     330.844     400.000       9.556   10 
+    850000       85000.00      32.135      -1.651      30.484 3197.117492   5.20 0.071 0.667 0.333 0.758     291.542     400.000       8.892   10 
+    860000       86000.00      41.791      -2.783      39.008 3263.566614   7.01 0.000 1.000 0.250 0.883     379.150     400.000       9.707   10 
+    870000       87000.00      40.933      -6.876      34.057 3347.607100   8.24 0.071 0.667 0.333 0.782     371.369     400.000       9.876   10 
+    880000       88000.00      43.109      -4.386      38.722 3400.748105   6.89 0.071 0.667 0.152 0.740     391.104     400.000      11.321   10 
+    890000       89000.00      43.016      -0.454      42.563 3469.895841   6.37 0.000   NaN   NaN 1.043     390.265     400.000      11.481   10 
+    900000       90000.00      30.888      -4.996      25.893 3550.685900   6.01 0.000 1.000 0.182 0.629     280.236     400.000      11.284   10 
+    910000       91000.00      34.739       3.719      38.458 3552.349283   8.74 0.071 0.000 0.136 0.851     315.167     390.000      12.055   10 
+    920000       92000.00      42.794      -0.668      42.126 3602.108306   7.16 0.071 0.750 0.295 1.258     388.252     390.000      10.327   10 
+    930000       93000.00      47.190     -12.680      34.510 3642.834898   5.45 0.000 1.000 0.500 0.591     428.133     390.000       7.724   10 
+    940000       94000.00      41.527      -4.972      36.555 3709.878386   6.15 0.000 1.000 0.333 0.880     376.752     390.000       7.766   10 
+    950000       95000.00      40.282      -1.585      38.698 3729.879895   8.68 0.143 0.333 0.152 1.303     365.462     390.000      10.312   10 
+    960000       96000.00      41.863      -9.283      32.581 3756.080474   8.43 0.071 0.833 0.258 0.675     379.805     390.000      11.696   10 
+    970000       97000.00      44.453      -0.801      43.652 3806.190396  11.70 0.071 0.500 0.159 0.896     403.301     390.000      15.043   10 
+    980000       98000.00      38.837       4.838      43.675 3841.017164   7.74 0.000   NaN   NaN 0.723     352.349     390.000      12.223   10 
+    990000       99000.00      45.905      -3.835      42.070 3883.087209   7.50 0.071 0.000 0.182 1.187     416.472     390.000      10.839   10 
+   1000000      100000.00      40.302      -8.701      31.600 3933.069222   8.28 0.071 0.000 0.182 0.896     365.636     390.000      12.371   10 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB011.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB011.stat
index 75adc76..7366b86 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB011.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB011.stat
@@ -1,101 +1,101 @@
          0           0.00      43.968      24.569      68.538    0.000000  12.87 0.000   NaN   NaN 0.709     398.905     360.000      15.552   11 
-     10000        1000.00      37.934     -10.445      27.489   12.976757   9.22 0.071 0.000 0.182 0.992     344.157     360.000      12.878   11 
-     20000        2000.00      34.518     -11.374      23.144   43.677100   5.50 0.071 0.750 0.375 0.898     313.166     360.000       8.589   11 
-     30000        3000.00      43.274     -10.930      32.344   77.253256   5.30 0.143 0.600 0.455 0.661     392.600     360.000       7.607   11 
-     40000        4000.00      39.313     -10.830      28.483  112.330324   4.86 0.071 0.750 0.625 0.959     356.671     360.000       8.106   11 
-     50000        5000.00      47.683     -16.372      31.311  143.146720   7.67 0.143 0.333 0.136 0.962     432.604     360.000      11.269   11 
-     60000        6000.00      38.206      -1.588      36.618  184.994544   6.10 0.000 1.000 0.318 1.043     346.626     360.000      10.019   11 
-     70000        7000.00      40.080     -15.180      24.900  210.783368   7.78 0.000 1.000 0.282 0.924     363.630     360.000       9.342   11 
-     80000        8000.00      35.775      -3.610      32.165  229.467128   6.64 0.143 0.333 0.152 0.513     324.570     360.000      11.015   11 
-     90000        9000.00      33.404     -10.714      22.690  272.760431   7.23 0.071 0.800 0.264 1.353     303.059     360.000       8.746   11 
-    100000       10000.00      37.456      -9.346      28.110  315.478918   7.44 0.071 0.000 0.136 0.781     339.819     360.000      12.083   11 
-    110000       11000.00      52.174     -12.692      39.482  407.275393  10.20 0.071 0.667 0.182 1.191     473.351     400.000      13.000   11 
-    120000       12000.00      46.290       7.395      53.685  424.111804   9.82 0.000   NaN   NaN 0.969     419.969     400.000      13.138   11 
-    130000       13000.00      56.225       3.378      59.604  467.772784   6.84 0.000   NaN   NaN 1.374     510.104     400.000      12.154   11 
-    140000       14000.00      49.379      -8.113      41.266  544.632436   5.52 0.071 0.000 0.591 0.885     447.990     400.000       9.635   11 
-    150000       15000.00      46.686       5.337      52.024  581.441156   8.45 0.143 0.333 0.152 0.843     423.564     400.000      12.538   11 
-    160000       16000.00      50.249       0.065      50.315  653.897042   5.83 0.071 0.000 0.136 0.672     455.887     400.000       9.816   11 
-    170000       17000.00      39.423       2.889      42.313  674.912198  10.59 0.000 1.000 0.136 0.822     357.667     400.000      14.148   11 
-    180000       18000.00      45.629     -12.888      32.740  713.342697   5.47 0.000 1.000 0.227 1.647     413.970     400.000       9.023   11 
-    190000       19000.00      41.829      -8.888      32.941  746.762016   6.11 0.000   NaN   NaN 1.075     379.495     400.000      11.133   11 
-    200000       20000.00      37.758      -2.994      34.764  796.051647   9.14 0.000   NaN   NaN 0.534     342.558     400.000      12.760   11 
-    210000       21000.00      42.035      -5.963      36.072  833.638984   7.02 0.071 0.000 0.136 1.098     381.362     390.000      10.850   11 
-    220000       22000.00      58.173       1.082      59.254  878.755313   7.35 0.000   NaN   NaN 2.472     527.772     390.000      11.006   11 
-    230000       23000.00      34.887     -14.558      20.329  899.825411   6.49 0.000 1.000 0.205 1.244     316.513     390.000      10.825   11 
-    240000       24000.00      37.198      -5.781      31.417  974.577420   6.60 0.000 1.000 0.330 0.899     337.482     390.000       8.812   11 
-    250000       25000.00      49.573      -8.407      41.166  993.500346   9.42 0.000 1.000 0.227 0.897     449.752     390.000      13.513   11 
-    260000       26000.00      53.315     -10.220      43.095 1032.149340   6.02 0.071 0.000 0.136 1.121     483.702     390.000       8.908   11 
-    270000       27000.00      38.046     -13.783      24.263 1046.661592   6.82 0.071 0.667 0.182 0.784     345.175     390.000      11.093   11 
-    280000       28000.00      46.237      -8.050      38.187 1064.327519   5.90 0.000 1.000 0.136 0.930     419.487     390.000       7.507   11 
-    290000       29000.00      31.705      -4.687      27.019 1093.595786   5.71 0.143 0.667 0.432 0.596     287.645     390.000       8.439   11 
-    300000       30000.00      43.461       4.298      47.758 1227.344093   9.35 0.000 1.000 0.136 1.214     394.297     390.000      13.848   11 
-    310000       31000.00      38.606       1.828      40.434 1337.957951   6.70 0.000   NaN   NaN 0.848     350.256     390.000      10.583   11 
-    320000       32000.00      36.205       1.811      38.016 1393.730537   9.10 0.071 0.750 0.295 0.564     328.467     390.000      10.494   11 
-    330000       33000.00      41.987       4.999      46.987 1431.947799   7.69 0.143 0.500 0.205 0.859     380.931     390.000      11.258   11 
-    340000       34000.00      48.036      -1.013      47.023 1468.822317   7.42 0.000 1.000 0.273 0.669     435.804     390.000      11.328   11 
-    350000       35000.00      53.546       2.911      56.457 1511.384985   6.39 0.143 0.667 0.348 1.299     485.797     390.000       7.570   11 
-    360000       36000.00      36.746      -7.418      29.328 1560.695840   8.80 0.000 1.000 0.227 0.606     333.381     390.000      12.996   11 
-    370000       37000.00      45.147     -12.879      32.268 1659.615037   5.67 0.000 1.000 0.273 1.112     409.598     390.000      10.094   11 
-    380000       38000.00      47.940      -5.818      42.122 1679.206106   5.61 0.071 0.500 0.136 0.942     434.933     390.000      10.243   11 
-    390000       39000.00      45.150     -14.373      30.777 1727.027926   6.60 0.071 0.857 0.461 0.776     409.625     390.000       8.881   11 
-    400000       40000.00      47.398       4.249      51.646 1768.044604   5.70 0.000 1.000 0.409 0.554     430.015     390.000       7.054   11 
-    410000       41000.00      47.621      -9.344      38.277 1773.117952   6.87 0.143 0.750 0.216 1.243     432.040     380.000       9.039   11 
-    420000       42000.00      29.403       7.782      37.185 1860.522928   8.26 0.000 1.000 0.303 0.816     266.759     380.000      12.054   11 
-    430000       43000.00      44.832      -9.930      34.902 1883.975069   5.97 0.071 0.800 0.455 0.673     406.743     380.000       7.694   11 
-    440000       44000.00      43.226       2.139      45.365 1901.494698   7.36 0.000 1.000 0.182 0.541     392.167     380.000      11.170   11 
-    450000       45000.00      37.703       5.342      43.045 1946.274005   6.50 0.000 1.000 0.227 1.573     342.062     380.000      10.478   11 
-    460000       46000.00      41.359      -3.685      37.674 1996.754447   5.25 0.000 1.000 0.515 0.990     375.234     380.000       9.128   11 
-    470000       47000.00      59.032      -4.974      54.058 2028.336883   4.69 0.000 1.000 0.477 0.765     535.572     380.000       8.415   11 
-    480000       48000.00      34.481      -7.468      27.012 2095.857760   7.18 0.000   NaN   NaN 1.140     312.828     380.000      11.893   11 
-    490000       49000.00      42.363      -8.030      34.332 2138.121557   6.14 0.000 1.000 0.273 0.861     384.338     380.000       8.567   11 
-    500000       50000.00      49.768      -7.331      42.438 2205.180689   5.36 0.071 0.800 0.418 0.630     451.524     380.000       9.106   11 
-    510000       51000.00      35.740      -1.757      33.983 2185.796827  10.60 0.071 0.000 0.136 0.626     324.248     370.000      13.669   11 
-    520000       52000.00      41.715      -4.683      37.033 2212.072601   9.96 0.071 0.000 0.136 0.559     378.464     370.000      13.649   11 
-    530000       53000.00      37.915      -8.450      29.465 2238.110195   5.81 0.071 0.500 0.318 0.748     343.986     370.000       8.552   11 
-    540000       54000.00      41.326     -10.963      30.363 2303.617813   5.26 0.000 1.000 0.470 0.616     374.927     370.000       8.691   11 
-    550000       55000.00      38.803       1.160      39.963 2339.596290   5.85 0.000 1.000 0.364 0.785     352.043     370.000       7.972   11 
-    560000       56000.00      40.732       3.518      44.250 2344.516887  11.00 0.000   NaN   NaN 0.548     369.543     370.000      13.991   11 
-    570000       57000.00      43.150     -16.891      26.259 2359.514130   7.69 0.071 0.500 0.159 0.724     391.483     370.000      10.800   11 
-    580000       58000.00      53.129     -17.546      35.583 2423.713079   5.51 0.143 0.714 0.370 0.551     482.016     370.000       7.851   11 
-    590000       59000.00      49.495      -3.765      45.730 2477.996602   3.31 0.071 0.800 0.200 1.134     449.043     370.000       7.256   11 
-    600000       60000.00      35.508      -1.467      34.041 2532.796563   3.93 0.214 0.500 0.424 0.643     322.149     370.000       8.097   11 
-    610000       61000.00      37.706     -10.257      27.450 2499.628746   5.09 0.143 0.778 0.429 0.618     342.091     360.000       7.903   11 
-    620000       62000.00      39.946      -2.802      37.144 2522.827606   5.88 0.143 0.500 0.261 1.101     362.410     360.000       7.734   11 
-    630000       63000.00      33.981     -14.404      19.578 2553.905745   5.12 0.071 0.500 0.386 1.089     308.298     360.000       8.738   11 
-    640000       64000.00      40.194      -9.496      30.698 2580.821746   5.38 0.071 0.875 0.415 0.704     364.658     360.000       8.087   11 
-    650000       65000.00      35.746     -10.404      25.342 2648.792334   6.26 0.071 0.857 0.318 0.534     324.308     360.000       7.742   11 
-    660000       66000.00      40.612     -14.832      25.781 2676.967584   5.75 0.286 0.333 0.311 0.822     368.455     360.000       7.605   11 
-    670000       67000.00      34.447      -4.251      30.196 2692.883111   4.27 0.143 0.500 0.205 1.098     312.521     360.000       8.110   11 
-    680000       68000.00      34.643       0.150      34.793 2765.923357  10.99 0.071 0.000 0.136 0.778     314.302     360.000      14.042   11 
-    690000       69000.00      48.560      -5.898      42.662 2781.906371   9.22 0.071 0.000 0.136 1.209     440.559     360.000      11.526   11 
-    700000       70000.00      39.733     -17.998      21.735 2817.206257   4.87 0.071 0.750 0.443 0.761     360.481     360.000       8.467   11 
-    710000       71000.00      34.396     -16.810      17.587 2765.357043   4.85 0.071 0.875 0.312 0.699     312.060     350.000       7.503   11 
-    720000       72000.00      32.640      -4.693      27.947 2810.757609   4.96 0.071 0.833 0.492 0.670     296.127     350.000       7.762   11 
-    730000       73000.00      28.604     -11.616      16.988 2840.547759   7.08 0.000 1.000 0.182 0.928     259.507     350.000      10.784   11 
-    740000       74000.00      43.922     -13.045      30.877 2909.950316   6.38 0.143 0.333 0.167 0.472     398.483     350.000       9.495   11 
-    750000       75000.00      38.075     -10.597      27.478 2962.072189   5.24 0.071 0.667 0.167 0.664     345.434     350.000       9.632   11 
-    760000       76000.00      40.863      -5.435      35.428 3006.526343   6.49 0.000 1.000 0.182 1.244     370.730     350.000      10.608   11 
-    770000       77000.00      35.258      -1.622      33.636 3063.175743   6.81 0.286 0.000 0.170 0.698     319.883     350.000       9.976   11 
-    780000       78000.00      48.124     -12.417      35.707 3086.191185   9.16 0.071 0.000 0.136 0.926     436.601     350.000      13.438   11 
-    790000       79000.00      41.544     -17.051      24.493 3098.456399   7.63 0.143 0.833 0.394 0.858     376.911     350.000       7.182   11 
-    800000       80000.00      41.312      -2.322      38.990 3136.898403   7.16 0.000 1.000 0.375 0.824     374.802     350.000       8.286   11 
-    810000       81000.00      42.748      -0.347      42.400 3669.701191  11.26 0.071 0.667 0.182 0.799     387.829     400.000      15.022   11 
-    820000       82000.00      45.070      -3.416      41.654 3694.310259   8.03 0.071 0.000 0.136 0.695     408.896     400.000      12.468   11 
-    830000       83000.00      43.375       6.522      49.896 3740.174531   9.44 0.000 1.000 0.136 0.717     393.516     400.000      13.548   11 
-    840000       84000.00      34.867       2.162      37.028 3797.433184  13.29 0.000   NaN   NaN 1.145     316.329     400.000      16.555   11 
-    850000       85000.00      38.586      -7.240      31.346 3834.315691   7.91 0.000   NaN   NaN 0.794     350.069     400.000      11.571   11 
-    860000       86000.00      37.810      -3.027      34.783 3848.919364   5.90 0.000 1.000 0.182 0.396     343.035     400.000      10.830   11 
-    870000       87000.00      52.278       1.959      54.238 3896.876738   6.36 0.000 1.000 0.333 1.097     474.295     400.000       9.537   11 
-    880000       88000.00      57.226      -4.414      52.813 3930.599986   8.09 0.000 1.000 0.455 0.762     519.186     400.000      10.543   11 
-    890000       89000.00      40.231     -18.169      22.061 3998.275265   5.78 0.143 0.600 0.164 0.810     364.992     400.000       7.742   11 
-    900000       90000.00      47.590      -8.664      38.926 4035.001238   9.00 0.071 0.000 0.182 1.086     431.762     400.000      11.405   11 
-    910000       91000.00      39.764       7.996      47.760 4011.837167  11.36 0.071 0.000 0.136 0.656     360.760     390.000      14.527   11 
-    920000       92000.00      46.657      -1.976      44.681 4061.549756   7.85 0.071 0.750 0.170 1.930     423.298     390.000      10.602   11 
-    930000       93000.00      31.665       3.747      35.412 4114.432238   7.74 0.071 0.667 0.212 1.826     287.285     390.000       9.561   11 
-    940000       94000.00      48.391       3.358      51.749 4147.519191   8.00 0.000   NaN   NaN 0.958     439.026     390.000      12.607   11 
-    950000       95000.00      42.801      -2.887      39.914 4171.280351   6.20 0.000 1.000 0.273 0.679     388.309     390.000      10.234   11 
-    960000       96000.00      42.129     -11.617      30.512 4263.147222   6.39 0.071 0.800 0.255 0.746     382.213     390.000       8.451   11 
-    970000       97000.00      45.148     -12.235      32.913 4334.591752   8.43 0.071 0.750 0.193 0.884     409.605     390.000      11.177   11 
-    980000       98000.00      43.401     -11.493      31.908 4379.895503   8.02 0.143 0.500 0.216 0.772     393.760     390.000       9.501   11 
-    990000       99000.00      32.495       6.583      39.078 4421.572845   6.86 0.000 1.000 0.341 1.389     294.809     390.000       9.768   11 
-   1000000      100000.00      29.426      -7.592      21.835 4470.396904   8.56 0.000 1.000 0.227 0.890     266.971     390.000      11.637   11 
+     10000        1000.00      38.557      -1.551      37.006   23.307079  10.61 0.000   NaN   NaN 1.228     349.811     360.000      14.749   11 
+     20000        2000.00      36.387      -8.841      27.546  116.428310   9.81 0.000   NaN   NaN 1.148     330.124     360.000      14.700   11 
+     30000        3000.00      37.901       3.449      41.350  181.332284   9.37 0.000 1.000 0.273 0.483     343.857     360.000      12.318   11 
+     40000        4000.00      35.446     -10.805      24.641  239.229677   6.94 0.071 0.500 0.295 0.465     321.588     360.000       8.680   11 
+     50000        5000.00      34.653     -10.966      23.687  278.303596   7.78 0.000 1.000 0.443 0.236     314.389     360.000       7.430   11 
+     60000        6000.00      34.858     -23.303      11.555  298.333564   5.86 0.143 0.800 0.400 0.771     316.253     360.000       7.467   11 
+     70000        7000.00      35.624     -16.034      19.590  340.250238   5.68 0.143 0.333 0.258 1.005     323.198     360.000       8.801   11 
+     80000        8000.00      41.652      -6.137      35.515  359.575601   5.71 0.071 0.800 0.455 0.473     377.885     360.000       9.159   11 
+     90000        9000.00      40.615      -9.891      30.724  380.161176   8.59 0.071 0.667 0.182 0.492     368.482     360.000      10.328   11 
+    100000       10000.00      38.053       1.273      39.326  436.058554   8.10 0.071 0.000 0.136 0.519     345.237     360.000      12.804   11 
+    110000       11000.00      36.278     -10.281      25.997  540.014855   8.30 0.071 0.500 0.182 0.520     329.133     400.000      11.976   11 
+    120000       12000.00      40.364       0.300      40.664  581.166442   5.49 0.071 0.500 0.364 1.142     366.203     400.000       9.289   11 
+    130000       13000.00      35.682       4.716      40.398  649.666816   6.41 0.071 0.875 0.409 0.992     323.727     400.000       7.899   11 
+    140000       14000.00      42.736      -5.637      37.100  717.756281   6.60 0.071 0.750 0.182 0.451     387.725     400.000       9.984   11 
+    150000       15000.00      38.076      -7.679      30.397  769.491933   6.45 0.000 1.000 0.448 0.874     345.443     400.000       7.179   11 
+    160000       16000.00      48.670       0.196      48.865  780.333161   6.60 0.143 0.000 0.136 0.631     441.556     400.000       8.748   11 
+    170000       17000.00      44.854      11.012      55.866  799.015489  11.29 0.000   NaN   NaN 1.012     406.939     400.000      15.128   11 
+    180000       18000.00      41.225      -1.270      39.955  841.278635   8.15 0.071 0.667 0.182 0.757     374.013     400.000      11.550   11 
+    190000       19000.00      48.043      11.897      59.940  895.458625  11.15 0.000   NaN   NaN 0.689     435.867     400.000      13.873   11 
+    200000       20000.00      48.522     -20.592      27.930  913.552274   4.79 0.214 0.500 0.424 0.750     440.215     400.000       8.116   11 
+    210000       21000.00      45.676     -15.505      30.171  922.415767   5.51 0.071 0.667 0.242 0.796     414.395     390.000       8.908   11 
+    220000       22000.00      47.734      -5.321      42.413  973.510790   6.41 0.143 0.500 0.216 4.834     433.065     390.000      10.874   11 
+    230000       23000.00      41.723      -2.511      39.212 1005.661147   6.07 0.071 0.000 0.182 0.846     378.529     390.000       9.580   11 
+    240000       24000.00      36.622      -6.416      30.206 1035.824436   9.22 0.000   NaN   NaN 1.129     332.253     390.000      12.763   11 
+    250000       25000.00      28.954      -3.962      24.992 1078.879523   4.36 0.000 1.000 0.159 0.530     262.683     390.000       8.331   11 
+    260000       26000.00      32.636     -15.209      17.427 1112.244290   7.54 0.000 1.000 0.227 0.501     296.086     390.000       8.530   11 
+    270000       27000.00      46.845      -7.501      39.344 1129.264934   7.14 0.071 0.667 0.273 0.820     425.002     390.000       9.427   11 
+    280000       28000.00      38.230       7.931      46.161 1148.751377   4.42 0.071 0.000 0.136 1.486     346.842     390.000       9.134   11 
+    290000       29000.00      51.303      -9.968      41.335 1186.216645  10.52 0.071 0.500 0.136 1.496     465.446     390.000      13.743   11 
+    300000       30000.00      38.620       8.616      47.235 1198.467719   8.78 0.071 0.000 0.182 0.844     350.377     390.000      11.959   11 
+    310000       31000.00      36.452      -8.919      27.533 1288.251901   7.82 0.143 0.846 0.388 0.499     330.711     400.000       6.919   11 
+    320000       32000.00      45.312      -7.428      37.884 1343.354346   5.78 0.143 0.600 0.418 1.601     411.096     400.000       9.333   11 
+    330000       33000.00      40.328      -0.350      39.978 1367.132309   8.89 0.000 1.000 0.159 1.937     365.879     400.000      12.839   11 
+    340000       34000.00      39.107       0.255      39.361 1417.285149   9.15 0.000   NaN   NaN 0.405     354.795     400.000      13.794   11 
+    350000       35000.00      39.618      -3.626      35.993 1471.424279  11.97 0.071 0.500 0.136 0.529     359.436     400.000      14.906   11 
+    360000       36000.00      43.404      12.287      55.690 1497.277601  11.80 0.071 0.000 0.136 0.729     393.781     400.000      14.510   11 
+    370000       37000.00      37.241      -5.872      31.369 1548.226345   6.96 0.071 0.750 0.284 1.308     337.871     400.000       8.230   11 
+    380000       38000.00      41.021       0.114      41.136 1606.931733   7.26 0.071 0.667 0.152 0.682     372.165     400.000      11.373   11 
+    390000       39000.00      43.540       3.704      47.244 1661.283432   4.86 0.000 1.000 0.427 0.614     395.019     400.000       9.202   11 
+    400000       40000.00      47.000     -10.962      36.038 1704.480165   5.77 0.000 1.000 0.445 0.530     426.406     400.000       8.148   11 
+    410000       41000.00      43.090     -10.446      32.644 1677.686298   4.89 0.214 0.500 0.273 0.698     390.931     390.000       9.971   11 
+    420000       42000.00      34.872      -6.542      28.330 1699.152238   9.24 0.071 0.667 0.136 0.610     316.378     390.000      11.171   11 
+    430000       43000.00      55.764      -7.025      48.739 1726.468641   9.58 0.000 1.000 0.273 1.573     505.916     390.000      12.661   11 
+    440000       44000.00      45.264     -14.018      31.247 1750.500093   6.98 0.071 0.750 0.489 0.556     410.660     390.000       7.393   11 
+    450000       45000.00      45.315     -12.483      32.833 1770.249678   5.80 0.143 0.600 0.327 0.557     411.124     390.000       8.147   11 
+    460000       46000.00      41.611       4.193      45.804 1837.850390   6.36 0.143 0.714 0.234 0.453     377.519     390.000       9.394   11 
+    470000       47000.00      46.431      -9.465      36.966 1873.858374   5.25 0.000 1.000 0.136 0.804     421.242     390.000      10.049   11 
+    480000       48000.00      53.431       0.605      54.036 1902.811951   5.83 0.000 1.000 0.409 1.047     484.757     390.000       8.066   11 
+    490000       49000.00      41.401       6.283      47.684 1918.091103   6.16 0.071 0.750 0.295 0.812     375.616     390.000       9.137   11 
+    500000       50000.00      41.657     -16.547      25.111 1962.968250   6.77 0.143 0.333 0.136 1.262     377.938     390.000      10.128   11 
+    510000       51000.00      35.849      -7.592      28.257 2002.168499   5.18 0.143 0.333 0.152 0.981     325.243     380.000       9.247   11 
+    520000       52000.00      39.560      -4.179      35.381 2026.502208   8.72 0.071 0.000 0.136 0.840     358.909     380.000      10.735   11 
+    530000       53000.00      44.196       5.026      49.222 2056.972919   5.36 0.000 1.000 0.455 0.923     400.970     380.000       9.183   11 
+    540000       54000.00      36.570       4.049      40.619 2086.006250   9.07 0.071 0.500 0.136 0.951     331.780     380.000      12.903   11 
+    550000       55000.00      49.512      -0.986      48.526 2089.574297  10.23 0.071 0.000 0.182 1.192     449.197     380.000      13.526   11 
+    560000       56000.00      46.791      -6.476      40.315 2114.102542   9.96 0.143 0.600 0.164 0.605     424.511     380.000      12.687   11 
+    570000       57000.00      37.313      -8.232      29.082 2146.897124   7.27 0.071 0.667 0.242 0.976     338.525     380.000       9.396   11 
+    580000       58000.00      42.535      -7.768      34.766 2198.790973   5.17 0.071 0.500 0.227 0.922     385.896     380.000       8.695   11 
+    590000       59000.00      29.796      -4.021      25.775 2289.310932   5.51 0.143 0.750 0.301 0.721     270.327     380.000       7.796   11 
+    600000       60000.00      44.690     -14.402      30.288 2342.590072   6.35 0.071 0.900 0.336 1.220     405.455     380.000       7.125   11 
+    610000       61000.00      41.251     -16.668      24.583 2301.192504   5.80 0.214 0.400 0.245 1.458     374.252     370.000       7.558   11 
+    620000       62000.00      34.572     -10.311      24.261 2322.187324   6.09 0.143 0.600 0.264 0.939     313.653     370.000       8.030   11 
+    630000       63000.00      51.318      -3.573      47.744 2349.798896  10.76 0.214 0.250 0.182 1.094     465.579     370.000      13.400   11 
+    640000       64000.00      31.992      -9.197      22.795 2366.460701   4.97 0.143 0.500 0.557 0.715     290.247     370.000       8.613   11 
+    650000       65000.00      47.677      -1.659      46.019 2452.461759   4.99 0.071 0.500 0.205 1.028     432.553     370.000       9.364   11 
+    660000       66000.00      38.180      -9.920      28.261 2473.690419   6.95 0.071 0.500 0.205 0.459     346.391     370.000      10.234   11 
+    670000       67000.00      35.721     -18.396      17.325 2510.897094   7.03 0.143 0.667 0.174 0.503     324.078     370.000      10.664   11 
+    680000       68000.00      36.741      -3.845      32.895 2557.263113   9.33 0.000 1.000 0.182 0.832     333.329     370.000      13.408   11 
+    690000       69000.00      34.936     -14.338      20.598 2631.852377   9.33 0.071 0.500 0.205 0.823     316.954     370.000      13.349   11 
+    700000       70000.00      42.084     -12.405      29.679 2708.439690   5.87 0.143 0.500 0.307 0.534     381.808     370.000       9.665   11 
+    710000       71000.00      43.830      -7.915      35.914 2663.270227   6.56 0.143 0.333 0.273 0.581     397.647     360.000       8.087   11 
+    720000       72000.00      36.418     -10.398      26.021 2716.128731   6.38 0.071 0.833 0.432 0.995     330.407     360.000       7.418   11 
+    730000       73000.00      34.264     -18.869      15.396 2730.423278   5.67 0.214 0.667 0.414 0.939     310.863     360.000       7.314   11 
+    740000       74000.00      40.990     -19.144      21.846 2785.166654   6.13 0.214 0.571 0.305 0.865     371.883     360.000       7.465   11 
+    750000       75000.00      34.196     -19.366      14.830 2844.467086   4.89 0.071 0.667 0.333 1.045     310.245     360.000       8.332   11 
+    760000       76000.00      42.531     -18.991      23.540 2875.660147   4.44 0.214 0.667 0.323 0.793     385.867     360.000       8.017   11 
+    770000       77000.00      37.445     -11.235      26.210 2912.839904   5.14 0.071 0.750 0.364 0.420     339.723     360.000       8.132   11 
+    780000       78000.00      39.701     -19.699      20.002 2929.202347   4.86 0.286 0.556 0.253 0.527     360.189     360.000       7.007   11 
+    790000       79000.00      39.299      -1.475      37.824 2942.383552   9.08 0.143 0.000 0.136 0.788     356.545     360.000      11.438   11 
+    800000       80000.00      42.488     -17.829      24.659 2961.395453   5.70 0.071 0.833 0.341 0.878     385.471     360.000       8.276   11 
+    810000       81000.00      56.606     -11.414      45.192 2896.484399   7.96 0.071 0.667 0.182 0.771     513.561     350.000      10.021   11 
+    820000       82000.00      38.452     -18.333      20.119 2940.258709   5.32 0.143 0.778 0.429 0.594     348.858     350.000       7.369   11 
+    830000       83000.00      38.979      -4.852      34.127 2987.787656   6.77 0.071 0.667 0.258 1.010     353.635     350.000       9.449   11 
+    840000       84000.00      40.009     -13.852      26.157 3020.103294   5.49 0.143 0.600 0.582 0.660     362.983     350.000       9.869   11 
+    850000       85000.00      26.944     -13.762      13.182 3078.391016   5.37 0.071 0.750 0.364 0.527     244.452     350.000       8.346   11 
+    860000       86000.00      44.345      -4.675      39.670 3128.487027   7.18 0.000   NaN   NaN 0.659     402.322     350.000      10.371   11 
+    870000       87000.00      37.073      -8.423      28.649 3158.322406   5.59 0.071 0.750 0.159 0.736     336.342     350.000       9.047   11 
+    880000       88000.00      43.744      -6.998      36.747 3190.238420   4.59 0.071 0.667 0.136 0.539     396.872     350.000       9.145   11 
+    890000       89000.00      36.112     -12.071      24.041 3247.564829   4.10 0.071 0.750 0.170 0.669     327.630     350.000       8.381   11 
+    900000       90000.00      36.030     -18.630      17.400 3252.150828   4.84 0.143 0.600 0.500 0.855     326.886     350.000       7.440   11 
+    910000       91000.00      40.789     -19.577      21.212 3371.070149   5.01 0.143 0.818 0.293 0.690     370.061     360.000       7.457   11 
+    920000       92000.00      35.243      -3.673      31.570 3378.200586   4.97 0.000 1.000 0.239 0.564     319.740     360.000       8.720   11 
+    930000       93000.00      44.385     -12.148      32.237 3398.112085  11.22 0.143 0.500 0.148 0.480     402.684     360.000      13.959   11 
+    940000       94000.00      42.678      -1.508      41.170 3453.159395   7.28 0.000 1.000 0.386 0.676     387.192     360.000       9.866   11 
+    950000       95000.00      45.925     -10.675      35.250 3493.386171   5.29 0.071 0.909 0.417 0.795     416.656     360.000       7.385   11 
+    960000       96000.00      41.939      -2.165      39.774 3548.060992   8.74 0.071 0.500 0.205 0.634     380.491     360.000      11.955   11 
+    970000       97000.00      30.364     -26.476       3.888 3585.303195   6.01 0.071 0.750 0.705 0.726     275.477     360.000       9.552   11 
+    980000       98000.00      47.163     -12.779      34.384 3616.483909   5.52 0.000 1.000 0.432 0.739     427.887     360.000       9.058   11 
+    990000       99000.00      40.411     -16.236      24.174 3659.724550   4.82 0.071 0.667 0.182 0.579     366.627     360.000       8.348   11 
+   1000000      100000.00      38.126      -3.458      34.668 3698.527235   5.70 0.000 1.000 0.409 0.777     345.900     360.000       8.179   11 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB012.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB012.stat
index 617cb62..0122cf6 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB012.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB012.stat
@@ -1,101 +1,101 @@
          0           0.00      27.576      24.554      52.130    0.000000  12.87 0.000   NaN   NaN 0.711     250.183     370.000      15.552   12 
-     10000        1000.00      47.544     -16.037      31.506   12.910211   5.83 0.000 1.000 0.443 1.245     431.343     370.000       7.907   12 
-     20000        2000.00      45.020     -18.734      26.286   86.209498   6.41 0.000 1.000 0.394 0.899     408.441     370.000       9.294   12 
-     30000        3000.00      34.735     -16.425      18.310  172.062852   5.87 0.071 0.000 0.727 0.574     315.135     370.000       8.545   12 
-     40000        4000.00      35.473      -4.623      30.850  200.697514   9.61 0.071 0.000 0.136 0.548     321.830     370.000      13.317   12 
-     50000        5000.00      49.466     -11.759      37.707  242.640637   5.53 0.143 0.500 0.193 1.071     448.784     370.000       9.525   12 
-     60000        6000.00      44.063     -16.195      27.869  255.446141   4.73 0.071 0.917 0.295 0.798     399.764     370.000       7.278   12 
-     70000        7000.00      38.837     -16.045      22.792  317.975809   6.35 0.071 0.750 0.250 0.654     352.345     370.000       9.545   12 
-     80000        8000.00      42.471     -22.832      19.639  349.933820   5.99 0.214 0.500 0.470 0.717     385.319     370.000       7.595   12 
-     90000        9000.00      46.839     -12.473      34.366  425.421443   5.23 0.214 0.700 0.450 0.868     424.949     370.000       7.429   12 
-    100000       10000.00      39.624      -8.405      31.219  450.942960   5.42 0.000 1.000 0.606 0.404     359.490     370.000       8.117   12 
-    110000       11000.00      38.053     -18.485      19.567  474.525928   5.21 0.000 1.000 0.250 0.932     345.234     360.000       8.958   12 
-    120000       12000.00      43.165      -7.778      35.388  480.530735   8.70 0.000   NaN   NaN 0.882     391.619     360.000      13.409   12 
-    130000       13000.00      34.619      -7.128      27.491  523.317157  10.05 0.000   NaN   NaN 0.971     314.077     360.000      14.964   12 
-    140000       14000.00      34.004      -8.338      25.666  596.304105   6.23 0.000 1.000 0.295 0.306     308.500     360.000      10.631   12 
-    150000       15000.00      41.306      -9.912      31.394  613.782587   7.21 0.071 0.000 0.136 0.811     374.750     360.000      10.990   12 
-    160000       16000.00      38.052       5.101      43.153  629.923875   5.50 0.214 0.400 0.482 0.362     345.227     360.000       8.545   12 
-    170000       17000.00      37.864     -21.679      16.186  662.832603   6.09 0.071 0.833 0.621 1.007     343.526     360.000       7.923   12 
-    180000       18000.00      32.708     -18.583      14.124  700.213646   6.67 0.071 0.750 0.375 0.529     296.742     360.000       8.051   12 
-    190000       19000.00      32.095     -20.108      11.987  724.057478   5.49 0.143 0.714 0.513 0.716     291.185     360.000       8.269   12 
-    200000       20000.00      32.493      -9.556      22.937  741.813554   4.78 0.286 0.000 0.182 1.077     294.793     360.000       9.286   12 
-    210000       21000.00      32.274     -13.253      19.022  749.105640   9.47 0.071 0.667 0.167 0.907     292.810     350.000      11.354   12 
-    220000       22000.00      33.699     -24.020       9.679  751.014519   4.39 0.143 0.714 0.292 0.969     305.737     350.000       7.503   12 
-    230000       23000.00      35.496      -8.329      27.167  772.272904   6.42 0.143 0.500 0.261 0.630     322.036     350.000       6.860   12 
-    240000       24000.00      35.048      -8.176      26.872  796.760423   5.04 0.071 0.667 0.242 0.525     317.971     350.000       9.332   12 
-    250000       25000.00      33.097     -18.782      14.315  816.307969   6.90 0.071 0.750 0.159 0.645     300.271     350.000      11.045   12 
-    260000       26000.00      37.299     -20.327      16.973  826.854830   4.23 0.071 0.750 0.148 0.869     338.400     350.000       8.026   12 
-    270000       27000.00      52.536     -11.127      41.409  829.717866   7.12 0.071 0.800 0.255 0.479     476.633     350.000      10.692   12 
-    280000       28000.00      36.806     -15.364      21.442  860.108735   6.01 0.214 0.400 0.236 1.163     333.924     350.000       7.564   12 
-    290000       29000.00      44.283      -9.149      35.134  889.784708   5.19 0.143 0.333 0.152 0.544     401.761     350.000       9.572   12 
-    300000       30000.00      36.248      -4.442      31.806  914.339821   9.31 0.071 0.500 0.136 0.558     328.861     350.000      12.455   12 
-    310000       31000.00      32.451     -15.106      17.345  954.863025  10.19 0.143 0.600 0.191 1.145     294.412     340.000      12.569   12 
-    320000       32000.00      40.395     -21.342      19.053  999.386118   7.03 0.214 0.667 0.222 0.616     366.488     340.000       8.623   12 
-    330000       33000.00      37.170     -15.666      21.504 1028.833127   7.43 0.214 0.400 0.173 0.624     337.227     340.000      11.653   12 
-    340000       34000.00      34.275     -21.593      12.682 1048.333027   5.86 0.214 0.400 0.245 0.778     310.957     340.000       9.059   12 
-    350000       35000.00      35.347     -16.007      19.340 1106.148627   5.19 0.214 0.625 0.386 1.613     320.688     340.000       8.286   12 
-    360000       36000.00      32.839     -15.436      17.403 1156.289479   5.04 0.071 0.800 0.427 0.849     297.933     340.000       9.225   12 
-    370000       37000.00      43.973     -25.706      18.268 1173.530917   5.68 0.143 0.714 0.442 1.269     398.949     340.000       8.098   12 
-    380000       38000.00      34.631     -12.855      21.776 1205.910045   6.69 0.143 0.600 0.355 0.606     314.194     340.000       7.492   12 
-    390000       39000.00      37.756     -18.314      19.442 1228.712170   5.50 0.071 0.857 0.390 0.791     342.545     340.000       7.294   12 
-    400000       40000.00      33.758     -26.645       7.114 1249.620672   5.52 0.214 0.667 0.338 0.783     306.272     340.000       7.255   12 
-    410000       41000.00      29.666     -23.174       6.493 1235.703622   5.77 0.143 0.600 0.191 0.511     269.146     330.000       7.581   12 
-    420000       42000.00      31.667     -29.018       2.649 1260.405316   5.96 0.214 0.727 0.351 0.437     287.298     330.000       6.859   12 
-    430000       43000.00      36.457     -19.055      17.402 1287.666238   5.35 0.286 0.429 0.195 0.793     330.755     330.000       7.572   12 
-    440000       44000.00      41.999     -27.571      14.428 1300.846888   3.96 0.214 0.667 0.328 0.741     381.040     330.000       7.562   12 
-    450000       45000.00      35.632     -17.082      18.550 1321.083120   7.33 0.143 0.714 0.182 0.725     323.271     330.000       8.963   12 
-    460000       46000.00      30.346     -31.549      -1.203 1324.852363   6.51 0.214 0.571 0.195 0.798     275.315     330.000       8.283   12 
-    470000       47000.00      39.278     -28.318      10.960 1345.827856   4.88 0.071 0.909 0.475 0.396     356.349     330.000       7.013   12 
-    480000       48000.00      40.914     -23.481      17.433 1371.176198   5.23 0.071 0.875 0.472 0.962     371.190     330.000       8.141   12 
-    490000       49000.00      36.557     -18.372      18.185 1392.562189   5.91 0.071 0.833 0.402 1.689     331.667     330.000       6.984   12 
-    500000       50000.00      32.326     -18.866      13.460 1426.926336   4.88 0.143 0.714 0.312 0.464     293.280     330.000       8.483   12 
-    510000       51000.00      37.438     -22.092      15.346 1552.498282   5.14 0.143 0.667 0.462 1.526     339.657     350.000       7.591   12 
-    520000       52000.00      31.701     -13.963      17.737 1594.390761   4.08 0.286 0.000 0.307 0.512     287.606     350.000       8.442   12 
-    530000       53000.00      37.881     -12.006      25.874 1602.403038   5.20 0.000 1.000 0.818 0.716     343.672     350.000       9.072   12 
-    540000       54000.00      34.294      -4.304      29.990 1647.498017  10.66 0.000   NaN   NaN 1.094     311.135     350.000      14.199   12 
-    550000       55000.00      41.639      -7.285      34.354 1664.753006   9.27 0.000 1.000 0.182 1.126     377.767     350.000      11.800   12 
-    560000       56000.00      40.134     -10.284      29.850 1710.418114   5.36 0.071 0.857 0.370 0.538     364.113     350.000       8.849   12 
-    570000       57000.00      42.452     -10.049      32.402 1724.201234   6.30 0.143 0.500 0.205 0.956     385.143     350.000      10.225   12 
-    580000       58000.00      44.320     -10.814      33.506 1776.854305   8.15 0.071 0.667 0.197 0.719     402.093     350.000      11.275   12 
-    590000       59000.00      35.796     -18.148      17.649 1794.081301   6.28 0.000 1.000 0.432 0.706     324.762     350.000       9.241   12 
-    600000       60000.00      48.134     -25.338      22.796 1823.135924   5.10 0.214 0.571 0.403 1.101     436.697     350.000       8.418   12 
-    610000       61000.00      26.608     -13.991      12.617 1791.441046   5.01 0.143 0.714 0.364 0.433     241.403     340.000       7.840   12 
-    620000       62000.00      33.459     -16.987      16.472 1817.095461   6.35 0.071 0.833 0.394 0.498     303.560     340.000       7.406   12 
-    630000       63000.00      39.708     -21.694      18.014 1832.201261   5.06 0.143 0.667 0.311 0.628     360.252     340.000       7.320   12 
-    640000       64000.00      43.850     -24.733      19.116 1853.151992   6.25 0.071 0.900 0.414 1.014     397.826     340.000       7.454   12 
-    650000       65000.00      33.424     -18.427      14.997 1863.057731   6.03 0.143 0.600 0.382 0.591     303.236     340.000       8.057   12 
-    660000       66000.00      37.042     -10.522      26.520 1921.740020   5.26 0.071 0.833 0.470 1.159     336.064     340.000       8.661   12 
-    670000       67000.00      28.835     -16.419      12.415 1932.987402   5.44 0.214 0.400 0.245 0.478     261.606     340.000       8.365   12 
-    680000       68000.00      41.375      -9.709      31.666 1944.701233   8.90 0.143 0.000 0.136 0.637     375.378     340.000      12.176   12 
-    690000       69000.00      42.872     -14.863      28.009 1969.901395   6.26 0.000 1.000 0.205 1.156     388.956     340.000       8.696   12 
-    700000       70000.00      36.866     -13.487      23.379 1985.060985   7.07 0.000 1.000 0.258 0.388     334.464     340.000       9.013   12 
-    710000       71000.00      33.488     -29.052       4.436 1951.345432   5.00 0.071 0.933 0.267 0.709     303.821     330.000       6.621   12 
-    720000       72000.00      43.732     -33.804       9.928 1956.526873   6.56 0.143 0.714 0.383 0.594     396.761     330.000       7.603   12 
-    730000       73000.00      31.996     -28.749       3.247 1977.940367   5.76 0.143 0.778 0.283 0.641     290.283     330.000       7.311   12 
-    740000       74000.00      34.831     -30.673       4.158 2017.928670   5.55 0.286 0.636 0.364 0.570     316.006     330.000       7.184   12 
-    750000       75000.00      37.646     -20.460      17.185 2073.380351   6.78 0.143 0.846 0.465 0.879     341.540     330.000       6.858   12 
-    760000       76000.00      31.034     -24.119       6.915 2101.802229   5.38 0.071 0.833 0.371 0.843     281.560     330.000       7.343   12 
-    770000       77000.00      38.065     -21.573      16.492 2133.219483   5.46 0.071 0.667 0.212 0.727     345.345     330.000       8.309   12 
-    780000       78000.00      29.637     -22.678       6.959 2149.144383   5.77 0.214 0.500 0.288 0.989     268.881     330.000       7.706   12 
-    790000       79000.00      33.319     -26.567       6.752 2174.551075   4.92 0.214 0.727 0.372 0.687     302.288     330.000       7.118   12 
-    800000       80000.00      34.970     -20.036      14.934 2189.817476   5.44 0.071 0.800 0.364 0.612     317.265     330.000       7.570   12 
-    810000       81000.00      32.773     -24.486       8.288 2226.739993   5.02 0.286 0.636 0.393 0.849     297.335     330.000       6.869   12 
-    820000       82000.00      39.696     -22.221      17.475 2285.672433   5.64 0.143 0.714 0.266 1.356     360.145     330.000       7.882   12 
-    830000       83000.00      39.295     -10.870      28.425 2296.879528   6.33 0.000 1.000 0.182 0.587     356.504     330.000       9.981   12 
-    840000       84000.00      40.779     -10.987      29.792 2313.158539   5.95 0.071 0.000 0.182 1.325     369.968     330.000       9.732   12 
-    850000       85000.00      36.195      -8.445      27.750 2333.779411   4.80 0.071 0.000 0.182 1.377     328.382     330.000       8.907   12 
-    860000       86000.00      43.466     -20.736      22.730 2346.887319   5.24 0.143 0.750 0.409 0.654     394.347     330.000       8.241   12 
-    870000       87000.00      35.683     -14.574      21.109 2365.985670   5.25 0.000 1.000 0.307 0.870     323.738     330.000       8.711   12 
-    880000       88000.00      38.092     -24.137      13.955 2373.834456   4.91 0.071 0.800 0.518 0.463     345.593     330.000       8.092   12 
-    890000       89000.00      40.365     -30.717       9.649 2419.791286   5.52 0.214 0.727 0.521 1.182     366.216     330.000       8.468   12 
-    900000       90000.00      42.032     -16.879      25.153 2470.555519   5.55 0.071 0.750 0.341 0.657     381.338     330.000       8.612   12 
-    910000       91000.00      44.538     -17.682      26.857 2571.220869   4.77 0.071 0.800 0.564 1.104     404.076     340.000       8.552   12 
-    920000       92000.00      37.891     -11.730      26.162 2627.570286   5.48 0.000   NaN   NaN 0.794     343.768     340.000       9.320   12 
-    930000       93000.00      36.697     -27.337       9.361 2654.381485   6.27 0.000 1.000 0.545 0.631     332.939     340.000       7.541   12 
-    940000       94000.00      36.770     -18.148      18.621 2688.899228   6.33 0.071 0.800 0.636 1.104     333.593     340.000       8.099   12 
-    950000       95000.00      32.535     -24.937       7.599 2714.597720   6.61 0.071 0.875 0.403 0.631     295.176     340.000       7.303   12 
-    960000       96000.00      38.102     -12.312      25.790 2739.074036   6.50 0.071 0.500 0.591 0.598     345.683     340.000       8.009   12 
-    970000       97000.00      35.829     -26.365       9.464 2759.258777   5.86 0.071 0.857 0.370 0.412     325.060     340.000       8.977   12 
-    980000       98000.00      41.321     -15.721      25.601 2775.144110   5.78 0.143 0.600 0.618 0.279     374.887     340.000       7.945   12 
-    990000       99000.00      47.882     -19.363      28.519 2803.317107   5.03 0.286 0.600 0.418 0.467     434.406     340.000       7.718   12 
-   1000000      100000.00      38.845     -21.095      17.750 2822.389346   4.77 0.214 0.700 0.409 0.924     352.426     340.000       7.547   12 
+     10000        1000.00      37.078     -22.151      14.927   43.313062   5.53 0.071 0.800 0.300 0.764     336.395     370.000       7.943   12 
+     20000        2000.00      39.856      -8.431      31.425   75.716363   5.22 0.071 0.800 0.464 0.899     361.594     370.000       8.659   12 
+     30000        3000.00      51.304     -10.811      40.493   93.375430   6.83 0.000 1.000 0.197 2.009     465.457     370.000      10.581   12 
+     40000        4000.00      33.190     -13.583      19.607  120.374804   5.22 0.071 0.750 0.170 0.341     301.116     370.000       8.728   12 
+     50000        5000.00      46.589     -16.339      30.250  148.636735   5.38 0.143 0.667 0.371 0.675     422.680     370.000       7.523   12 
+     60000        6000.00      46.521      -0.642      45.880  197.450027   7.91 0.000 1.000 0.136 1.038     422.065     370.000      11.775   12 
+     70000        7000.00      32.592     -15.563      17.029  222.685752   4.32 0.143 0.667 0.432 1.046     295.690     370.000       8.027   12 
+     80000        8000.00      41.769      -8.751      33.018  240.026410   8.78 0.071 0.000 0.136 0.656     378.954     370.000      11.967   12 
+     90000        9000.00      42.399     -15.243      27.157  282.070984   6.64 0.143 0.714 0.305 0.743     384.669     370.000       7.600   12 
+    100000       10000.00      34.215     -15.634      18.581  310.872370   6.19 0.000 1.000 0.159 0.586     310.420     370.000       8.639   12 
+    110000       11000.00      40.975     -11.662      29.313  341.082069   4.62 0.071 0.750 0.477 0.771     371.746     360.000       8.314   12 
+    120000       12000.00      46.944     -10.406      36.538  359.665560   6.41 0.000 1.000 0.379 0.885     425.898     360.000       7.972   12 
+    130000       13000.00      38.551     -18.021      20.530  396.708219   6.16 0.000   NaN   NaN 0.706     349.751     360.000       8.753   12 
+    140000       14000.00      38.832     -14.102      24.730  430.189859   5.63 0.000 1.000 0.409 0.648     352.305     360.000       8.570   12 
+    150000       15000.00      38.146      -8.985      29.161  469.144898   6.23 0.214 0.625 0.483 1.105     346.076     360.000       7.575   12 
+    160000       16000.00      27.825      -7.065      20.760  480.362407   7.21 0.071 0.800 0.318 0.722     252.442     360.000       8.944   12 
+    170000       17000.00      32.864     -15.905      16.959  502.296166   6.43 0.071 0.833 0.417 0.406     298.157     360.000       6.949   12 
+    180000       18000.00      38.807      -7.726      31.080  529.849764   6.09 0.000 1.000 0.500 0.777     352.074     360.000       8.876   12 
+    190000       19000.00      35.840      -3.762      32.078  564.335138   5.92 0.071 0.833 0.341 0.542     325.163     360.000       8.031   12 
+    200000       20000.00      40.210     -17.630      22.581  602.711347   5.38 0.214 0.250 0.420 0.805     364.810     360.000       8.359   12 
+    210000       21000.00      34.469      -9.982      24.486  659.098170   5.66 0.071 0.750 0.273 0.642     312.716     350.000       7.410   12 
+    220000       22000.00      30.870     -10.026      20.844  678.267727   5.55 0.071 0.750 0.398 0.986     280.068     350.000       8.623   12 
+    230000       23000.00      40.309      -7.366      32.942  733.350491   6.07 0.000   NaN   NaN 1.067     365.700     350.000       8.087   12 
+    240000       24000.00      45.036     -15.737      29.298  746.222643   5.59 0.071 0.875 0.347 1.174     408.588     350.000       7.504   12 
+    250000       25000.00      31.075     -15.657      15.418  784.205875   5.12 0.214 0.571 0.318 0.786     281.926     350.000       7.713   12 
+    260000       26000.00      41.779     -16.741      25.038  823.422248   4.42 0.143 0.714 0.416 0.905     379.040     350.000       7.516   12 
+    270000       27000.00      36.033      -5.444      30.589  852.802327   4.07 0.000 1.000 0.136 0.325     326.906     350.000       8.694   12 
+    280000       28000.00      40.366      -4.243      36.123  887.116903   6.48 0.071 0.667 0.152 0.784     366.220     350.000      10.819   12 
+    290000       29000.00      47.124      -9.297      37.827  955.801728   5.32 0.000 1.000 0.432 0.487     427.530     350.000       8.811   12 
+    300000       30000.00      37.740      -6.325      31.416 1009.626496   7.36 0.000 1.000 0.420 0.736     342.401     350.000       8.532   12 
+    310000       31000.00      31.348     -10.262      21.086 1040.310837   5.36 0.000 1.000 0.212 1.121     284.404     340.000       8.037   12 
+    320000       32000.00      30.795     -19.944      10.851 1054.271127   6.37 0.143 0.600 0.145 0.894     279.392     340.000      10.472   12 
+    330000       33000.00      35.950     -13.189      22.761 1111.877458   5.38 0.143 0.750 0.364 0.713     326.155     340.000       7.335   12 
+    340000       34000.00      60.209     -21.360      38.849 1141.291588   5.97 0.143 0.667 0.303 1.104     546.245     340.000       7.849   12 
+    350000       35000.00      30.500     -22.807       7.692 1155.830861   7.33 0.071 0.833 0.242 0.596     276.707     340.000       8.014   12 
+    360000       36000.00      30.485      -4.421      26.065 1193.734323   6.75 0.143 0.667 0.258 0.646     276.580     340.000       9.903   12 
+    370000       37000.00      40.106     -17.383      22.723 1228.732070  10.66 0.071 0.667 0.182 0.634     363.863     340.000      13.315   12 
+    380000       38000.00      48.428     -10.044      38.384 1257.733477   9.06 0.071 0.500 0.205 0.711     439.360     340.000      12.584   12 
+    390000       39000.00      37.615     -22.283      15.332 1268.338156   5.28 0.143 0.667 0.561 0.761     341.264     340.000       9.138   12 
+    400000       40000.00      41.978     -17.893      24.084 1302.133065   4.92 0.071 0.875 0.415 0.321     380.843     340.000       7.309   12 
+    410000       41000.00      31.664     -26.916       4.748 1274.893714   5.63 0.214 0.667 0.364 0.639     287.274     330.000       7.034   12 
+    420000       42000.00      29.990     -25.120       4.870 1323.491093   5.60 0.143 0.846 0.381 0.807     272.087     330.000       7.046   12 
+    430000       43000.00      36.559     -18.204      18.355 1346.030273   5.39 0.071 0.889 0.439 0.458     331.686     330.000       7.387   12 
+    440000       44000.00      38.430     -26.385      12.045 1390.299208   5.39 0.286 0.667 0.303 0.671     348.661     330.000       6.959   12 
+    450000       45000.00      37.001     -16.312      20.689 1435.333066   6.26 0.214 0.571 0.357 1.112     335.694     330.000       7.271   12 
+    460000       46000.00      35.264     -30.110       5.154 1460.274477   6.55 0.143 0.857 0.451 1.196     319.929     330.000       6.545   12 
+    470000       47000.00      35.998     -20.054      15.944 1470.032409   4.41 0.214 0.727 0.368 0.346     326.592     330.000       7.188   12 
+    480000       48000.00      34.534     -20.458      14.076 1488.201397   4.80 0.071 0.857 0.221 0.437     313.307     330.000       7.543   12 
+    490000       49000.00      37.661      -9.325      28.336 1507.257508   3.94 0.286 0.556 0.222 1.386     341.679     330.000       7.474   12 
+    500000       50000.00      40.324     -20.732      19.592 1536.784710   5.07 0.214 0.625 0.312 0.346     365.844     330.000       6.955   12 
+    510000       51000.00      34.746     -17.096      17.650 1515.270388   4.63 0.286 0.333 0.318 1.187     315.232     320.000       7.971   12 
+    520000       52000.00      26.246     -22.656       3.590 1527.012993   3.96 0.286 0.500 0.403 0.812     238.114     320.000       7.263   12 
+    530000       53000.00      42.416     -30.184      12.232 1538.945513   6.56 0.143 0.778 0.308 0.868     384.824     320.000       7.119   12 
+    540000       54000.00      33.942     -31.264       2.677 1575.383943   6.21 0.214 0.625 0.301 1.224     307.938     320.000       6.916   12 
+    550000       55000.00      40.787     -19.991      20.796 1594.468520   6.72 0.071 0.800 0.418 0.737     370.044     320.000       7.499   12 
+    560000       56000.00      31.057     -26.207       4.850 1625.583493   4.29 0.286 0.500 0.239 0.882     281.761     320.000       7.112   12 
+    570000       57000.00      42.233     -18.128      24.105 1647.888114   4.45 0.000 1.000 0.439 1.237     383.157     320.000       7.321   12 
+    580000       58000.00      39.947     -10.664      29.284 1682.650690   5.18 0.071 0.857 0.383 0.540     362.422     320.000       7.965   12 
+    590000       59000.00      31.927     -24.621       7.306 1707.235899   3.12 0.286 0.556 0.293 0.770     289.660     320.000       7.221   12 
+    600000       60000.00      35.503     -26.341       9.162 1716.248510   4.04 0.429 0.571 0.354 0.460     322.104     320.000       6.735   12 
+    610000       61000.00      35.560     -36.689      -1.129 1687.637870   3.78 0.286 0.636 0.244 1.096     322.619     310.000       7.089   12 
+    620000       62000.00      28.634     -32.630      -3.996 1705.809138   3.85 0.357 0.545 0.240 1.330     259.782     310.000       7.614   12 
+    630000       63000.00      35.631     -25.153      10.478 1712.805975   3.38 0.214 0.400 0.182 0.620     323.261     310.000       7.086   12 
+    640000       64000.00      32.453     -30.738       1.715 1725.242438   3.37 0.357 0.667 0.309 0.592     294.433     310.000       6.881   12 
+    650000       65000.00      35.331     -31.370       3.961 1740.452327   2.62 0.286 0.600 0.232 0.330     320.545     310.000       7.223   12 
+    660000       66000.00      27.844     -40.231     -12.386 1775.284557   3.05 0.214 0.625 0.347 0.867     252.618     310.000       6.993   12 
+    670000       67000.00      32.385     -22.411       9.974 1802.586614   4.24 0.214 0.625 0.341 0.487     293.811     310.000       7.292   12 
+    680000       68000.00      39.866     -30.483       9.383 1815.444794   4.32 0.214 0.727 0.405 0.455     361.683     310.000       7.652   12 
+    690000       69000.00      31.566     -32.018      -0.452 1832.693230   4.28 0.357 0.583 0.462 0.438     286.379     310.000       8.051   12 
+    700000       70000.00      38.325     -41.045      -2.720 1850.832677   3.60 0.429 0.600 0.448 0.913     347.704     310.000       6.691   12 
+    710000       71000.00      42.132     -35.033       7.099 1799.819541   3.98 0.214 0.625 0.358 1.322     382.242     300.000       6.861   12 
+    720000       72000.00      28.613     -37.703      -9.091 1810.296136   3.45 0.357 0.643 0.367 0.898     259.588     300.000       6.656   12 
+    730000       73000.00      31.941     -39.416      -7.475 1818.498005   3.05 0.286 0.692 0.427 0.660     289.790     300.000       6.535   12 
+    740000       74000.00      29.148     -42.040     -12.892 1843.320033   3.35 0.429 0.571 0.276 0.990     264.449     300.000       6.617   12 
+    750000       75000.00      29.731     -43.459     -13.728 1859.665592   3.40 0.571 0.385 0.406 0.534     269.735     300.000       6.798   12 
+    760000       76000.00      31.073     -30.450       0.623 1886.097191   4.11 0.357 0.545 0.322 0.872     281.911     300.000       7.162   12 
+    770000       77000.00      38.095     -32.234       5.860 1906.966570   2.57 0.429 0.538 0.280 0.989     345.616     300.000       7.191   12 
+    780000       78000.00      29.264     -38.035      -8.771 1929.309308   3.14 0.429 0.455 0.273 0.999     265.500     300.000       6.702   12 
+    790000       79000.00      32.452     -40.577      -8.125 1933.086071   3.30 0.429 0.400 0.350 0.695     294.422     300.000       6.683   12 
+    800000       80000.00      31.024     -42.921     -11.897 1964.876870   3.32 0.429 0.500 0.265 1.468     281.466     300.000       6.910   12 
+    810000       81000.00      35.952     -41.870      -5.918 1905.725890   2.87 0.429 0.600 0.248 0.500     326.175     290.000       6.823   12 
+    820000       82000.00      38.270     -46.251      -7.981 1920.112770   3.41 0.571 0.500 0.261 0.654     347.204     290.000       6.601   12 
+    830000       83000.00      28.700     -32.108      -3.408 1945.939856   3.35 0.286 0.556 0.379 0.567     260.380     290.000       7.301   12 
+    840000       84000.00      30.008     -42.996     -12.989 1966.913387   3.42 0.357 0.706 0.374 0.851     272.246     290.000       6.685   12 
+    850000       85000.00      27.156     -38.142     -10.986 1967.897068   2.90 0.500 0.462 0.241 0.323     246.375     290.000       6.654   12 
+    860000       86000.00      32.573     -31.402       1.172 1973.887455   3.15 0.214 0.571 0.247 0.844     295.523     290.000       6.609   12 
+    870000       87000.00      35.185     -37.692      -2.507 1986.955973   3.26 0.286 0.692 0.381 0.689     319.216     290.000       7.271   12 
+    880000       88000.00      27.824     -30.624      -2.801 2009.719239   3.02 0.429 0.500 0.364 0.577     252.429     290.000       6.879   12 
+    890000       89000.00      31.225     -40.242      -9.017 2019.242712   3.89 0.286 0.600 0.368 0.798     283.288     290.000       6.878   12 
+    900000       90000.00      30.712     -39.648      -8.936 2034.763158   4.24 0.357 0.615 0.248 0.793     278.638     290.000       7.389   12 
+    910000       91000.00      36.613     -46.877     -10.264 1979.943093   7.05 0.286 0.600 0.218 0.501     332.175     280.000       7.769   12 
+    920000       92000.00      34.969     -43.276      -8.307 2000.167794   5.02 0.357 0.375 0.170 0.684     317.255     280.000       8.358   12 
+    930000       93000.00      32.915     -49.274     -16.358 2004.856915   3.34 0.429 0.600 0.312 1.001     298.626     280.000       6.548   12 
+    940000       94000.00      28.035     -45.972     -17.937 2017.264688   3.21 0.286 0.692 0.294 0.826     254.346     280.000       6.761   12 
+    950000       95000.00      31.480     -49.799     -18.319 2034.261192   3.50 0.286 0.600 0.227 0.837     285.604     280.000       6.956   12 
+    960000       96000.00      33.008     -42.400      -9.392 2056.491370   3.15 0.571 0.500 0.361 0.705     299.465     280.000       6.586   12 
+    970000       97000.00      38.285     -50.887     -12.602 2067.073584   3.28 0.429 0.647 0.316 0.842     347.337     280.000       6.730   12 
+    980000       98000.00      27.513     -39.464     -11.951 2099.233501   2.21 0.500 0.364 0.169 0.903     249.615     280.000       7.139   12 
+    990000       99000.00      32.662     -40.975      -8.314 2117.812270   3.20 0.429 0.625 0.324 0.654     296.322     280.000       6.805   12 
+   1000000      100000.00      27.914     -50.475     -22.561 2141.750396   3.90 0.286 0.692 0.217 0.337     253.249     280.000       7.137   12 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB013.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB013.stat
index 20bf726..5bf9484 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB013.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB013.stat
@@ -1,101 +1,101 @@
          0           0.00      37.698      24.549      62.247    0.000000  12.87 0.000   NaN   NaN 0.712     342.015     380.000      15.552   13 
-     10000        1000.00      41.072     -10.256      30.816  129.880349  11.80 0.000   NaN   NaN 0.554     372.624     380.000      15.220   13 
-     20000        2000.00      26.375      -4.896      21.479  175.928781   7.40 0.000 1.000 0.500 0.731     239.290     380.000       9.768   13 
-     30000        3000.00      28.463      -4.892      23.571  202.090257   5.35 0.071 0.500 0.182 0.907     258.229     380.000       8.941   13 
-     40000        4000.00      38.801      -8.135      30.666  224.762713   7.45 0.071 0.667 0.167 0.657     352.025     380.000      11.992   13 
-     50000        5000.00      43.925      -9.072      34.854  245.198849   5.50 0.071 0.667 0.318 0.852     398.512     380.000       9.533   13 
-     60000        6000.00      48.973       4.389      53.363  266.980674   5.36 0.071 0.000 0.227 0.845     444.312     380.000       9.645   13 
-     70000        7000.00      37.543       0.473      38.017  300.005645   6.34 0.071 0.750 0.534 0.581     340.612     380.000       8.929   13 
-     80000        8000.00      44.701      -5.351      39.350  331.454727   5.67 0.000 1.000 0.382 0.757     405.548     380.000       8.044   13 
-     90000        9000.00      48.779       2.121      50.899  349.707783   9.27 0.000   NaN   NaN 1.064     442.545     380.000      13.042   13 
-    100000       10000.00      37.810      -3.556      34.254  430.050439  10.00 0.071 0.000 0.136 0.962     343.035     380.000      13.342   13 
-    110000       11000.00      36.505       4.751      41.256  444.543522   6.76 0.143 0.333 0.182 0.531     331.191     370.000      10.596   13 
-    120000       12000.00      55.633      -0.842      54.790  477.236941   8.29 0.000   NaN   NaN 0.789     504.727     370.000      13.218   13 
-    130000       13000.00      34.846      -3.563      31.283  506.893434   4.25 0.214 0.250 0.330 0.591     316.145     370.000       8.284   13 
-    140000       14000.00      39.576      -4.590      34.986  560.544769   5.32 0.143 0.333 0.152 1.352     359.049     370.000       9.064   13 
-    150000       15000.00      34.393      -5.954      28.439  576.361972   5.85 0.214 0.000 0.152 1.054     312.028     370.000       8.338   13 
-    160000       16000.00      44.337      -5.328      39.009  627.599332   5.37 0.143 0.500 0.307 0.917     402.248     370.000       9.389   13 
-    170000       17000.00      28.399      -9.675      18.724  673.876135   6.25 0.071 0.000 0.182 0.671     257.651     370.000       9.361   13 
-    180000       18000.00      49.461       2.889      52.350  705.159744   6.58 0.000 1.000 0.182 1.072     448.734     370.000      10.286   13 
-    190000       19000.00      41.109      -5.149      35.960  794.888388  12.97 0.000   NaN   NaN 1.096     372.962     370.000      16.928   13 
-    200000       20000.00      40.232      -2.370      37.862  845.271734   6.43 0.071 0.667 0.136 1.389     365.008     370.000      10.442   13 
-    210000       21000.00      52.996     -12.739      40.258  965.374179   6.16 0.071 0.750 0.409 0.565     480.811     400.000       8.961   13 
-    220000       22000.00      44.457     -10.240      34.217  998.486691   5.58 0.071 0.500 0.318 0.632     403.335     400.000       8.629   13 
-    230000       23000.00      35.097     -18.344      16.753 1054.205505   5.62 0.143 0.714 0.240 1.364     318.419     400.000       7.193   13 
-    240000       24000.00      38.200      -3.852      34.348 1084.484906   7.36 0.000 1.000 0.426 0.433     346.568     400.000       7.662   13 
-    250000       25000.00      43.455       0.973      44.427 1121.728241   5.13 0.000   NaN   NaN 0.659     394.245     400.000       9.816   13 
-    260000       26000.00      44.712      -7.638      37.074 1156.355364   5.18 0.000   NaN   NaN 0.465     405.651     400.000       9.740   13 
-    270000       27000.00      38.043      -2.238      35.805 1242.962296   5.33 0.000 1.000 0.443 1.219     345.146     400.000       8.682   13 
-    280000       28000.00      53.792       1.827      55.619 1272.423793   9.42 0.000   NaN   NaN 0.873     488.025     400.000      13.637   13 
-    290000       29000.00      39.756      -7.658      32.097 1323.823853   7.41 0.143 0.333 0.182 0.573     360.683     400.000      11.536   13 
-    300000       30000.00      49.269       5.013      54.282 1362.576039  11.11 0.071 0.000 0.136 1.047     446.997     400.000      13.564   13 
-    310000       31000.00      38.649      -6.759      31.890 1431.489627  10.85 0.000   NaN   NaN 0.589     350.642     400.000      13.803   13 
-    320000       32000.00      52.018       1.050      53.068 1463.516037   6.87 0.143 0.000 0.159 0.989     471.931     400.000       9.959   13 
-    330000       33000.00      50.950      -2.674      48.276 1499.596642   5.32 0.000 1.000 0.159 0.604     462.241     400.000       8.933   13 
-    340000       34000.00      47.900      13.141      61.042 1537.447409  10.34 0.000   NaN   NaN 1.379     434.575     400.000      14.642   13 
-    350000       35000.00      40.975      -4.620      36.355 1581.195100   6.13 0.071 0.000 0.182 1.224     371.749     400.000      10.231   13 
-    360000       36000.00      41.377       0.498      41.876 1617.487867   7.66 0.000   NaN   NaN 0.799     375.397     400.000      11.111   13 
-    370000       37000.00      40.729       6.602      47.331 1664.572066   5.72 0.214 0.250 0.159 0.524     369.511     400.000       9.514   13 
-    380000       38000.00      44.113      -8.395      35.718 1695.926234   7.02 0.071 0.750 0.295 0.552     400.214     400.000       9.327   13 
-    390000       39000.00      47.802       1.669      49.471 1746.955734  10.00 0.071 0.000 0.136 0.804     433.683     400.000      13.450   13 
-    400000       40000.00      45.771      -0.020      45.751 1843.694468   5.01 0.071 0.667 0.182 2.080     415.257     400.000      10.079   13 
-    410000       41000.00      48.883      -2.846      46.037 1834.505641   8.38 0.071 0.750 0.182 0.654     443.496     390.000      10.135   13 
-    420000       42000.00      38.769       1.081      39.850 1845.342256   6.34 0.000 1.000 0.205 1.123     351.728     390.000      10.070   13 
-    430000       43000.00      38.632     -17.914      20.718 1868.404662   5.51 0.071 0.800 0.364 1.071     350.487     390.000       8.756   13 
-    440000       44000.00      40.997       2.063      43.060 1919.896570   5.81 0.000 1.000 0.182 0.537     371.944     390.000      10.303   13 
-    450000       45000.00      45.942      -5.198      40.744 1939.762455   7.28 0.000 1.000 0.409 0.413     416.809     390.000      11.898   13 
-    460000       46000.00      48.790       4.408      53.198 2017.590303   5.43 0.071 0.500 0.636 1.306     442.652     390.000       9.063   13 
-    470000       47000.00      43.981      -8.198      35.783 2037.343714   6.56 0.000 1.000 0.182 1.059     399.022     390.000      10.574   13 
-    480000       48000.00      32.403       1.043      33.446 2051.633581   3.68 0.000 1.000 0.386 0.613     293.977     390.000       8.685   13 
-    490000       49000.00      40.343      -5.287      35.056 2074.413437   6.41 0.000 1.000 0.250 0.539     366.012     390.000       9.600   13 
-    500000       50000.00      36.809      -5.282      31.527 2149.076364  11.11 0.000   NaN   NaN 0.541     333.948     390.000      14.194   13 
-    510000       51000.00      39.183      -5.143      34.040 2235.057595   7.08 0.071 0.750 0.216 0.584     355.489     400.000       8.728   13 
-    520000       52000.00      37.860      -2.187      35.672 2303.721477   6.62 0.071 0.500 0.205 1.071     343.485     400.000      10.105   13 
-    530000       53000.00      54.162      -0.775      53.388 2368.020875  11.32 0.071 0.750 0.148 0.755     491.389     400.000      13.813   13 
-    540000       54000.00      38.528       1.022      39.550 2405.180438   5.89 0.000   NaN   NaN 0.702     349.544     400.000      10.730   13 
-    550000       55000.00      39.625       2.694      42.319 2441.272521   7.18 0.000   NaN   NaN 0.504     359.502     400.000      11.619   13 
-    560000       56000.00      42.858      -5.047      37.811 2480.117981   7.31 0.143 0.500 0.148 0.949     388.830     400.000       9.923   13 
-    570000       57000.00      53.803      -3.832      49.971 2531.405150   7.72 0.071 0.500 0.227 0.533     488.128     400.000      12.025   13 
-    580000       58000.00      50.313     -19.195      31.119 2567.317774   5.62 0.214 0.625 0.278 0.621     456.469     400.000       7.413   13 
-    590000       59000.00      45.978       0.661      46.639 2638.393298   6.82 0.000   NaN   NaN 0.653     417.136     400.000      12.218   13 
-    600000       60000.00      34.589      -9.912      24.677 2647.857083   7.93 0.214 0.571 0.247 1.014     313.806     400.000      10.073   13 
-    610000       61000.00      35.515     -11.240      24.275 2658.698929   6.51 0.143 0.500 0.216 1.376     322.214     390.000       9.728   13 
-    620000       62000.00      42.481      -3.094      39.387 2674.637472   8.02 0.000   NaN   NaN 0.901     385.412     390.000      12.181   13 
-    630000       63000.00      42.149      -3.184      38.965 2717.393604   6.84 0.000 1.000 0.455 1.180     382.401     390.000       9.911   13 
-    640000       64000.00      39.597       3.124      42.721 2734.008610   7.82 0.000 1.000 0.273 0.395     359.248     390.000      10.907   13 
-    650000       65000.00      48.709       3.492      52.201 2786.740784   6.20 0.214 0.500 0.265 0.730     441.915     390.000       9.570   13 
-    660000       66000.00      37.992       3.310      41.302 2848.464898   7.85 0.000 1.000 0.159 1.000     344.679     390.000       9.882   13 
-    670000       67000.00      44.729       3.190      47.918 2883.398420   4.98 0.071 0.750 0.625 1.852     405.800     390.000       8.969   13 
-    680000       68000.00      37.506       3.392      40.899 2919.526137   7.79 0.071 0.000 0.136 0.558     340.276     390.000       9.177   13 
-    690000       69000.00      36.471      -4.622      31.849 2957.925404   6.03 0.071 0.667 0.333 0.741     330.888     390.000       9.274   13 
-    700000       70000.00      45.154      -0.249      44.905 2991.277445   6.06 0.071 0.750 0.182 0.952     409.663     390.000       7.951   13 
-    710000       71000.00      39.282     -11.839      27.443 2933.728054   7.98 0.000   NaN   NaN 0.824     356.384     380.000      11.919   13 
-    720000       72000.00      40.967      -2.776      38.191 2961.658329   5.48 0.000 1.000 0.136 0.630     371.672     380.000      10.429   13 
-    730000       73000.00      40.218      -8.298      31.920 2991.142417   5.10 0.071 0.500 0.205 0.425     364.881     380.000       9.862   13 
-    740000       74000.00      42.986      -9.933      33.053 3002.065613   5.97 0.143 0.667 0.508 0.838     389.992     380.000       8.110   13 
-    750000       75000.00      40.062      -6.699      33.363 3071.665092   6.12 0.000 1.000 0.182 0.765     363.461     380.000      10.289   13 
-    760000       76000.00      32.632      -8.158      24.474 3093.943200   6.65 0.071 0.800 0.373 0.820     296.056     380.000       8.095   13 
-    770000       77000.00      42.002     -21.109      20.892 3135.903685   4.81 0.071 0.667 0.379 0.954     381.059     380.000       9.372   13 
-    780000       78000.00      33.415      -3.365      30.050 3157.329013   6.33 0.143 0.750 0.324 0.884     303.157     380.000       7.931   13 
-    790000       79000.00      39.089      -4.329      34.759 3188.502061   5.36 0.000 1.000 0.273 0.648     354.633     380.000       8.897   13 
-    800000       80000.00      39.477     -13.368      26.109 3214.956472   5.19 0.071 0.000 0.727 0.335     358.156     380.000       9.945   13 
-    810000       81000.00      39.403     -18.645      20.757 3153.615220   5.35 0.143 0.600 0.545 1.370     357.481     370.000       8.728   13 
-    820000       82000.00      42.702     -13.068      29.634 3182.145137   4.99 0.143 0.500 0.466 1.141     387.416     370.000       8.024   13 
-    830000       83000.00      38.501      -7.590      30.911 3277.067346   4.76 0.071 0.800 0.445 0.558     349.298     370.000       7.871   13 
-    840000       84000.00      39.620      -1.134      38.486 3367.707827   5.85 0.000 1.000 0.227 0.874     359.454     370.000       9.786   13 
-    850000       85000.00      36.381      -4.743      31.638 3408.149850  10.62 0.000   NaN   NaN 0.893     330.070     370.000      13.710   13 
-    860000       86000.00      37.596     -11.839      25.756 3443.738575   8.78 0.071 0.500 0.182 1.120     341.086     370.000      12.324   13 
-    870000       87000.00      43.151     -20.290      22.861 3460.552055   4.15 0.143 0.800 0.445 1.054     391.485     370.000       7.394   13 
-    880000       88000.00      52.742      11.663      64.405 3478.335701   6.26 0.071 0.667 0.409 0.886     478.501     370.000       8.542   13 
-    890000       89000.00      34.630      -9.920      24.710 3533.612488   7.53 0.000 1.000 0.227 0.673     314.182     370.000      11.560   13 
-    900000       90000.00      43.059     -15.292      27.767 3611.144513   5.28 0.071 0.800 0.373 1.975     390.653     370.000       9.362   13 
-    910000       91000.00      42.396     -14.246      28.150 3544.888856   5.18 0.357 0.444 0.485 1.044     384.638     360.000       8.337   13 
-    920000       92000.00      37.073      -9.886      27.188 3576.259360   6.04 0.143 0.600 0.418 0.946     336.350     360.000       8.324   13 
-    930000       93000.00      40.855      -9.215      31.639 3632.945791   7.02 0.071 0.750 0.159 0.913     370.653     360.000      10.849   13 
-    940000       94000.00      39.856      -4.004      35.851 3659.088990  11.56 0.071 0.000 0.136 0.480     361.591     360.000      15.118   13 
-    950000       95000.00      35.527      -7.830      27.697 3698.508697   8.70 0.143 0.000 0.159 0.503     322.320     360.000      10.997   13 
-    960000       96000.00      33.109     -13.665      19.444 3746.617534   5.36 0.143 0.714 0.370 0.672     300.383     360.000       8.448   13 
-    970000       97000.00      36.970      -9.570      27.400 3783.532661   5.03 0.000 1.000 0.280 1.139     335.409     360.000       7.660   13 
-    980000       98000.00      36.080      -4.248      31.832 3854.924605   5.60 0.071 0.000 0.136 0.799     327.338     360.000       9.872   13 
-    990000       99000.00      42.687      -5.767      36.920 3887.374669   5.31 0.000 1.000 0.182 0.517     387.278     360.000       9.276   13 
-   1000000      100000.00      28.785     -15.133      13.651 3906.462561   5.83 0.071 0.833 0.621 0.459     261.150     360.000       9.421   13 
+     10000        1000.00      31.387      -4.115      27.273  102.534147   7.62 0.000   NaN   NaN 0.918     284.763     380.000      11.833   13 
+     20000        2000.00      41.338      -1.638      39.700  162.052988  10.87 0.071 0.667 0.152 1.161     375.040     380.000      14.241   13 
+     30000        3000.00      43.132      -7.182      35.950  238.546419  10.71 0.143 0.000 0.159 0.631     391.320     380.000      13.998   13 
+     40000        4000.00      42.403     -24.265      18.138  258.438862   7.17 0.071 0.875 0.398 0.604     384.702     380.000       6.905   13 
+     50000        5000.00      45.734      -3.268      42.467  283.359286   5.80 0.071 0.667 0.212 0.840     414.925     380.000       9.816   13 
+     60000        6000.00      45.620     -11.258      34.363  297.820542   5.82 0.071 0.750 0.489 0.997     413.892     380.000       9.533   13 
+     70000        7000.00      43.542     -13.946      29.596  319.365388   6.23 0.000 1.000 0.455 0.630     395.037     380.000       9.926   13 
+     80000        8000.00      43.342      -1.455      41.887  335.111203   7.18 0.143 0.000 0.159 1.007     393.224     380.000      11.373   13 
+     90000        9000.00      43.296      -6.264      37.032  384.225273   7.31 0.000 1.000 0.218 0.547     392.801     380.000       9.117   13 
+    100000       10000.00      41.686      -3.964      37.722  412.791374   7.96 0.000   NaN   NaN 1.144     378.195     380.000      12.711   13 
+    110000       11000.00      50.765      -1.802      48.963  425.617872  10.23 0.071 0.000 0.136 1.161     460.564     370.000      14.342   13 
+    120000       12000.00      36.062      -4.318      31.744  554.095633   5.36 0.000 1.000 0.182 0.465     327.172     370.000       9.696   13 
+    130000       13000.00      38.921      -6.555      32.366  580.242675   8.27 0.143 0.500 0.216 0.559     353.107     370.000      10.310   13 
+    140000       14000.00      55.958      -3.651      52.307  612.894211   8.76 0.000 1.000 0.182 0.808     507.681     370.000      11.805   13 
+    150000       15000.00      35.857     -21.764      14.094  641.377886   4.87 0.214 0.727 0.331 0.659     325.318     370.000       7.722   13 
+    160000       16000.00      49.490     -20.329      29.161  688.300376   4.00 0.214 0.571 0.396 1.089     448.996     370.000       8.352   13 
+    170000       17000.00      50.339     -11.265      39.074  724.158078   9.53 0.143 0.500 0.182 1.207     456.702     370.000      12.483   13 
+    180000       18000.00      42.088     -22.891      19.197  766.965519  11.38 0.071 0.000 0.182 0.723     381.843     370.000      14.025   13 
+    190000       19000.00      46.139      -4.313      41.825  854.214003   5.56 0.143 0.667 0.318 0.861     418.593     370.000       8.096   13 
+    200000       20000.00      42.552      -8.650      33.902  910.304931   4.99 0.071 0.800 0.364 0.938     386.050     370.000       8.904   13 
+    210000       21000.00      54.501     -17.512      36.989  896.492141   6.45 0.071 0.750 0.364 0.701     494.461     360.000       8.153   13 
+    220000       22000.00      38.894      -2.397      36.497  957.451589   5.81 0.071 0.667 0.258 0.439     352.871     360.000       8.504   13 
+    230000       23000.00      29.088       2.136      31.224  989.980001   8.78 0.071 0.000 0.136 0.490     263.904     360.000      12.254   13 
+    240000       24000.00      47.925      -3.898      44.027 1042.921473   6.96 0.000 1.000 0.159 1.024     434.801     360.000      10.436   13 
+    250000       25000.00      37.837      -4.558      33.279 1083.157356   7.57 0.071 0.500 0.159 0.967     343.276     360.000      11.839   13 
+    260000       26000.00      50.839      -9.435      41.404 1103.480997   4.22 0.143 0.667 0.379 0.655     461.235     360.000       7.624   13 
+    270000       27000.00      36.795     -25.439      11.357 1132.278341   3.47 0.286 0.200 0.245 1.331     333.827     360.000       7.343   13 
+    280000       28000.00      40.849     -24.688      16.161 1162.985354   2.05 0.500 0.364 0.335 1.261     370.606     360.000       7.239   13 
+    290000       29000.00      30.884     -21.113       9.772 1165.250156   5.18 0.214 0.700 0.427 0.498     280.196     360.000       6.921   13 
+    300000       30000.00      47.533     -14.319      33.214 1200.158312   9.11 0.143 0.000 0.159 1.130     431.239     360.000      12.289   13 
+    310000       31000.00      32.993     -17.457      15.536 1209.153399   4.80 0.071 0.800 0.436 0.800     299.329     350.000       8.109   13 
+    320000       32000.00      40.293     -18.578      21.715 1261.133845   6.15 0.071 0.500 0.159 0.552     365.554     350.000       9.967   13 
+    330000       33000.00      53.197     -18.587      34.610 1276.569533   5.34 0.214 0.625 0.466 0.792     482.635     350.000       7.139   13 
+    340000       34000.00      36.870     -11.133      25.737 1307.463241   5.06 0.286 0.500 0.278 0.846     334.503     350.000       7.472   13 
+    350000       35000.00      49.615     -29.648      19.967 1342.884309   5.91 0.143 0.800 0.395 0.639     450.130     350.000       7.592   13 
+    360000       36000.00      26.962     -13.404      13.558 1379.513374   6.40 0.000 1.000 0.364 0.645     244.612     350.000       8.735   13 
+    370000       37000.00      39.198     -25.377      13.822 1400.863375   5.17 0.071 0.857 0.364 0.916     355.629     350.000       8.496   13 
+    380000       38000.00      42.668     -10.668      32.000 1453.361463   4.72 0.071 0.875 0.398 1.018     387.104     350.000       8.076   13 
+    390000       39000.00      34.223     -18.526      15.697 1496.330469   6.10 0.214 0.571 0.221 0.731     310.489     350.000       9.870   13 
+    400000       40000.00      38.709     -14.337      24.372 1520.642950   4.69 0.000 1.000 0.335 0.773     351.190     350.000       7.944   13 
+    410000       41000.00      29.078      -9.404      19.673 1499.555934   5.07 0.000 1.000 0.182 0.560     263.808     340.000       8.870   13 
+    420000       42000.00      44.147     -23.777      20.370 1533.801822   6.13 0.000 1.000 0.333 0.590     400.526     340.000       6.682   13 
+    430000       43000.00      37.094     -24.482      12.612 1576.595739   6.65 0.071 0.800 0.282 0.703     336.539     340.000       7.036   13 
+    440000       44000.00      36.206     -13.298      22.908 1602.804839   5.87 0.143 0.500 0.500 0.503     328.477     340.000       7.887   13 
+    450000       45000.00      37.504     -13.996      23.507 1644.596243   9.07 0.000   NaN   NaN 0.210     340.252     340.000      11.375   13 
+    460000       46000.00      41.061      -4.846      36.215 1671.656320   6.34 0.071 0.500 0.182 1.737     372.528     340.000      10.391   13 
+    470000       47000.00      31.621      -6.902      24.719 1699.920972   6.31 0.071 0.500 0.182 1.089     286.883     340.000      10.539   13 
+    480000       48000.00      29.189     -19.336       9.853 1750.494509   6.53 0.071 0.500 0.182 0.742     264.817     340.000       9.914   13 
+    490000       49000.00      34.449       1.058      35.506 1795.927132   9.67 0.000   NaN   NaN 1.329     312.537     340.000      13.584   13 
+    500000       50000.00      33.571     -17.650      15.920 1848.100203   6.89 0.000 1.000 0.295 0.633     304.569     340.000       8.505   13 
+    510000       51000.00      47.193       9.075      56.268 2193.941894   9.02 0.071 0.667 0.227 0.682     428.161     390.000      11.542   13 
+    520000       52000.00      34.690     -15.509      19.182 2231.310112   5.58 0.000 1.000 0.432 0.593     314.729     390.000      10.632   13 
+    530000       53000.00      39.408      -4.170      35.237 2272.773215   5.62 0.071 0.750 0.330 0.733     357.526     390.000       9.364   13 
+    540000       54000.00      42.120       1.830      43.950 2313.939977   7.74 0.071 0.500 0.227 1.122     382.135     390.000      11.218   13 
+    550000       55000.00      45.286      -3.138      42.148 2346.889575   8.53 0.000   NaN   NaN 0.533     410.860     390.000      12.160   13 
+    560000       56000.00      49.274       2.723      51.998 2370.679029   5.52 0.143 0.500 0.250 1.042     447.043     390.000       8.899   13 
+    570000       57000.00      32.440      -2.378      30.061 2444.562779   9.96 0.071 0.000 0.136 0.930     294.310     390.000      13.221   13 
+    580000       58000.00      41.856      -0.444      41.413 2490.226703   8.57 0.000 1.000 0.159 0.857     379.742     390.000      11.734   13 
+    590000       59000.00      29.844       2.302      32.146 2526.602875   6.61 0.071 0.500 0.159 0.762     270.759     390.000      11.098   13 
+    600000       60000.00      47.738     -10.106      37.632 2608.704579   5.66 0.286 0.429 0.240 0.391     433.106     390.000       8.706   13 
+    610000       61000.00      46.520      -7.412      39.108 2582.125296   9.13 0.071 0.000 0.136 0.688     422.051     380.000      12.445   13 
+    620000       62000.00      38.684      -5.298      33.387 2642.076340   6.90 0.000 1.000 0.250 0.818     350.964     380.000       9.443   13 
+    630000       63000.00      49.546       1.951      51.496 2695.562342  11.31 0.000 1.000 0.182 0.249     449.503     380.000      14.013   13 
+    640000       64000.00      53.002      -5.928      47.074 2725.617829   6.45 0.000 1.000 0.182 0.527     480.862     380.000       7.528   13 
+    650000       65000.00      54.628      -3.503      51.125 2789.152703  10.28 0.000   NaN   NaN 1.205     495.611     380.000      14.506   13 
+    660000       66000.00      42.459       2.129      44.589 2803.791183   6.35 0.000 1.000 0.352 0.586     385.214     380.000       8.471   13 
+    670000       67000.00      38.512     -13.336      25.175 2859.986417   5.21 0.143 0.714 0.221 0.820     349.400     380.000       7.248   13 
+    680000       68000.00      50.295     -11.631      38.664 2899.182778   5.15 0.071 0.750 0.193 1.359     456.301     380.000       9.100   13 
+    690000       69000.00      46.781      -5.653      41.127 2943.247423   4.83 0.000 1.000 0.273 1.325     424.419     380.000       8.450   13 
+    700000       70000.00      51.001      -5.936      45.065 2968.646734   5.45 0.143 0.600 0.191 0.770     462.711     380.000       8.196   13 
+    710000       71000.00      44.174      -6.077      38.097 2953.359454   6.94 0.000 1.000 0.227 0.578     400.774     370.000       9.359   13 
+    720000       72000.00      31.727      -7.089      24.637 2981.341158   5.56 0.071 0.000 0.545 0.824     287.839     370.000       9.132   13 
+    730000       73000.00      34.809     -13.418      21.391 3028.452875   8.20 0.071 0.000 0.182 1.110     315.806     370.000      11.155   13 
+    740000       74000.00      45.457      -3.191      42.266 3057.716357   5.13 0.143 0.500 0.216 0.585     412.410     370.000       8.205   13 
+    750000       75000.00      37.944       2.962      40.906 3095.292135   8.68 0.000   NaN   NaN 1.234     344.251     370.000      13.932   13 
+    760000       76000.00      36.682      -4.822      31.860 3159.191634   9.95 0.071 0.000 0.136 0.609     332.797     370.000      14.379   13 
+    770000       77000.00      42.504       6.569      49.073 3199.017987   7.97 0.000   NaN   NaN 1.097     385.617     370.000      11.855   13 
+    780000       78000.00      41.369      -1.116      40.253 3247.811579   7.58 0.071 0.000 0.227 0.565     375.321     370.000      10.682   13 
+    790000       79000.00      39.671      -6.244      33.426 3270.074835   5.49 0.071 0.923 0.427 1.118     359.912     370.000       6.768   13 
+    800000       80000.00      40.012     -12.262      27.751 3324.986098   6.11 0.214 0.400 0.282 1.419     363.012     370.000       8.389   13 
+    810000       81000.00      37.925      -6.051      31.874 3266.289475   4.91 0.143 0.500 0.216 1.243     344.076     360.000       8.162   13 
+    820000       82000.00      32.600     -32.553       0.047 3283.673055   3.04 0.214 0.750 0.402 0.476     295.761     360.000       7.020   13 
+    830000       83000.00      37.817     -17.966      19.851 3329.870088  12.40 0.000   NaN   NaN 0.682     343.095     360.000      16.256   13 
+    840000       84000.00      44.390      -3.882      40.508 3391.316387   7.99 0.000   NaN   NaN 0.978     402.730     360.000      11.705   13 
+    850000       85000.00      37.998     -14.393      23.605 3434.398115   7.35 0.143 0.333 0.167 0.772     344.737     360.000      11.269   13 
+    860000       86000.00      40.692      -9.217      31.475 3515.651310   8.97 0.071 0.000 0.182 0.542     369.178     360.000      12.036   13 
+    870000       87000.00      35.530      -4.282      31.248 3552.610227  10.55 0.071 0.000 0.136 0.672     322.345     360.000      14.754   13 
+    880000       88000.00      34.143      -2.156      31.987 3641.487383   8.63 0.000 1.000 0.273 0.697     309.760     360.000      13.116   13 
+    890000       89000.00      45.992     -19.848      26.144 3679.865751   5.40 0.071 0.750 0.250 0.528     417.261     360.000       8.100   13 
+    900000       90000.00      38.916      -9.992      28.924 3737.751916   8.69 0.071 0.875 0.261 0.579     353.065     360.000      10.986   13 
+    910000       91000.00      43.598     -20.247      23.350 3674.450149   5.39 0.143 0.500 0.420 0.823     395.541     350.000       9.061   13 
+    920000       92000.00      50.802      -9.350      41.452 3713.443745   5.34 0.143 0.714 0.506 1.090     460.903     350.000       7.919   13 
+    930000       93000.00      46.106     -12.087      34.019 3739.914900   5.36 0.143 0.500 0.193 0.615     418.300     350.000       9.549   13 
+    940000       94000.00      36.763     -10.211      26.552 3756.201667   5.19 0.143 0.333 0.288 0.536     333.531     350.000       8.304   13 
+    950000       95000.00      30.090     -26.545       3.545 3779.464569   5.61 0.071 0.889 0.561 0.689     272.990     350.000       7.429   13 
+    960000       96000.00      35.692      -7.513      28.179 3813.464258   4.15 0.143 0.333 0.258 0.987     323.815     350.000       8.429   13 
+    970000       97000.00      39.258     -29.347       9.911 3863.446854   5.32 0.286 0.333 0.288 0.779     356.170     350.000       7.875   13 
+    980000       98000.00      40.457     -18.691      21.766 3875.942592   6.09 0.286 0.600 0.509 0.801     367.047     350.000       7.239   13 
+    990000       99000.00      30.815     -22.744       8.071 3900.202455   5.51 0.143 0.667 0.189 0.699     279.570     350.000       7.326   13 
+   1000000      100000.00      45.732     -32.317      13.415 3928.275963   4.26 0.357 0.500 0.309 0.618     414.903     350.000       7.271   13 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB014.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB014.stat
index 88ed715..2250fcd 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB014.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB014.stat
@@ -1,101 +1,101 @@
          0           0.00      53.926      24.551      78.477    0.000000  12.87 0.000   NaN   NaN 0.714     489.243     390.000      15.552   14 
-     10000        1000.00      42.696      -5.329      37.367   39.678907   7.91 0.071 0.500 0.136 0.811     387.364     390.000      11.385   14 
-     20000        2000.00      42.085     -10.756      31.329   57.852409   6.28 0.071 0.857 0.539 0.550     381.813     390.000       8.113   14 
-     30000        3000.00      31.892      -1.258      30.634  119.216603   7.54 0.071 0.000 0.182 0.723     289.337     390.000      10.543   14 
-     40000        4000.00      66.432      -0.699      65.733  155.642078  11.44 0.071 0.000 0.136 1.989     602.707     390.000      14.801   14 
-     50000        5000.00      39.963      -5.747      34.216  188.347203   9.19 0.071 0.667 0.212 0.879     362.565     390.000      12.442   14 
-     60000        6000.00      42.685       0.930      43.616  209.022350   5.40 0.143 0.000 0.364 0.667     387.263     390.000       9.603   14 
-     70000        7000.00      48.735       0.708      49.443  236.050543  11.18 0.000   NaN   NaN 0.905     442.149     390.000      15.449   14 
-     80000        8000.00      42.759     -10.992      31.767  290.999504   4.62 0.071 0.857 0.325 0.654     387.932     390.000       8.233   14 
-     90000        9000.00      34.421      -6.793      27.628  316.035223   6.76 0.000 1.000 0.273 1.185     312.285     390.000      10.184   14 
-    100000       10000.00      42.940      -5.010      37.929  341.867254   4.53 0.071 0.750 0.318 0.948     389.572     390.000       8.988   14 
-    110000       11000.00      36.294      -3.773      32.521  373.893320   6.26 0.143 0.000 0.159 1.364     329.276     380.000      10.490   14 
-    120000       12000.00      44.491      -9.793      34.698  399.693328   9.35 0.000 1.000 0.318 1.190     403.643     380.000      13.280   14 
-    130000       13000.00      31.116      -2.163      28.954  414.044489   5.99 0.143 0.000 0.341 1.181     282.301     380.000       8.221   14 
-    140000       14000.00      45.045     -17.754      27.291  446.090049   5.30 0.071 0.667 0.333 0.763     408.670     380.000       8.143   14 
-    150000       15000.00      42.783      -5.842      36.940  482.820175   5.79 0.143 0.600 0.409 0.647     388.146     380.000       7.903   14 
-    160000       16000.00      43.881     -26.159      17.723  501.013423   4.56 0.214 0.625 0.364 0.983     398.114     380.000       7.541   14 
-    170000       17000.00      41.577      -8.805      32.772  530.647760   5.56 0.000 1.000 0.439 0.456     377.208     380.000       8.874   14 
-    180000       18000.00      50.154      10.312      60.466  615.107726   5.46 0.000   NaN   NaN 1.534     455.019     380.000      10.558   14 
-    190000       19000.00      40.573      -2.190      38.383  671.117763   9.55 0.071 0.667 0.167 0.650     368.100     380.000      12.708   14 
-    200000       20000.00      45.584      -9.500      36.083  763.682996   7.78 0.000   NaN   NaN 0.737     413.559     380.000      11.394   14 
-    210000       21000.00      32.905       8.076      40.981  787.532793  10.72 0.000   NaN   NaN 0.616     298.531     370.000      15.439   14 
-    220000       22000.00      36.529      -8.258      28.271  805.865993   4.83 0.071 0.750 0.341 0.665     331.414     370.000       8.312   14 
-    230000       23000.00      42.989      -3.256      39.733  842.729117   9.85 0.000 1.000 0.170 0.309     390.016     370.000      13.529   14 
-    240000       24000.00      37.965     -16.840      21.125  885.068873   5.26 0.143 0.667 0.341 0.354     344.439     370.000       8.033   14 
-    250000       25000.00      39.246       9.530      48.776  937.649364   8.12 0.071 0.667 0.258 0.954     356.059     370.000      10.302   14 
-    260000       26000.00      41.152     -10.358      30.794  961.152017   4.82 0.214 0.500 0.553 1.083     373.349     370.000       8.316   14 
-    270000       27000.00      35.120     -23.701      11.419  981.493339   5.68 0.214 0.700 0.455 0.422     318.627     370.000       8.333   14 
-    280000       28000.00      43.051      -4.848      38.203 1028.965738   5.01 0.071 0.667 0.561 0.724     390.585     370.000       8.415   14 
-    290000       29000.00      34.393     -21.688      12.705 1067.546012   5.37 0.143 0.667 0.356 0.470     312.028     370.000       8.424   14 
-    300000       30000.00      45.801       3.884      49.685 1112.636304  11.46 0.000   NaN   NaN 0.988     415.531     370.000      15.131   14 
-    310000       31000.00      37.145     -11.109      26.035 1104.803986   9.90 0.071 0.000 0.182 0.383     336.994     360.000      13.376   14 
-    320000       32000.00      47.659      -1.917      45.741 1141.195136   6.04 0.000 1.000 0.564 1.010     432.385     360.000       8.109   14 
-    330000       33000.00      34.096      -8.521      25.575 1172.100114   8.74 0.071 0.000 0.136 0.576     309.334     360.000      12.801   14 
-    340000       34000.00      46.706     -17.403      29.303 1218.022811   8.91 0.000   NaN   NaN 0.961     423.738     360.000      12.828   14 
-    350000       35000.00      42.192     -17.557      24.635 1258.674827   5.82 0.071 0.500 0.341 0.776     382.785     360.000       8.840   14 
-    360000       36000.00      31.297      -9.629      21.669 1282.409130   7.88 0.000 1.000 0.182 0.834     283.946     360.000      12.725   14 
-    370000       37000.00      43.316     -10.352      32.964 1319.806443   7.03 0.000 1.000 0.273 0.636     392.983     360.000       9.446   14 
-    380000       38000.00      36.055       0.418      36.473 1375.425820   7.23 0.000 1.000 0.227 1.161     327.108     360.000      11.117   14 
-    390000       39000.00      34.083      -9.693      24.390 1410.915733   7.77 0.071 0.667 0.197 0.376     309.222     360.000      11.218   14 
-    400000       40000.00      42.169     -20.374      21.795 1435.318881   5.23 0.286 0.333 0.326 0.606     382.576     360.000       8.343   14 
-    410000       41000.00      36.623     -23.500      13.123 1402.221475   5.81 0.214 0.400 0.509 0.714     332.265     350.000       7.453   14 
-    420000       42000.00      46.426     -20.977      25.449 1445.177107   4.24 0.214 0.400 0.264 0.615     421.204     350.000       8.076   14 
-    430000       43000.00      38.485     -16.483      22.003 1468.001582   6.15 0.214 0.250 0.148 0.659     349.160     350.000      10.293   14 
-    440000       44000.00      39.512     -22.085      17.427 1494.908401   4.82 0.000 1.000 0.136 0.382     358.470     350.000       8.664   14 
-    450000       45000.00      37.062     -33.339       3.723 1498.088234   4.88 0.143 0.833 0.417 1.036     336.247     350.000       7.231   14 
-    460000       46000.00      29.968     -26.609       3.360 1509.503619   4.95 0.071 0.833 0.333 1.127     271.886     350.000       7.851   14 
-    470000       47000.00      35.759     -15.631      20.127 1514.745203   6.61 0.143 0.778 0.369 0.710     324.420     350.000       7.111   14 
-    480000       48000.00      41.394     -28.904      12.490 1525.247575   6.09 0.214 0.500 0.265 1.210     375.551     350.000       7.120   14 
-    490000       49000.00      40.778     -15.219      25.559 1544.624038   5.07 0.143 0.500 0.409 0.805     369.964     350.000       8.095   14 
-    500000       50000.00      38.170     -24.501      13.669 1559.152373   5.11 0.143 0.750 0.466 0.633     346.298     350.000       6.890   14 
-    510000       51000.00      27.247     -22.349       4.898 1565.504716   5.93 0.071 0.857 0.468 0.634     247.197     340.000       7.314   14 
-    520000       52000.00      36.643     -17.151      19.492 1601.333493   5.71 0.071 0.500 0.386 0.806     332.446     340.000       7.551   14 
-    530000       53000.00      36.747     -22.051      14.696 1657.534389   5.80 0.071 0.800 0.327 0.927     333.383     340.000       7.444   14 
-    540000       54000.00      42.482     -23.978      18.504 1665.581638   5.99 0.214 0.700 0.300 1.738     385.419     340.000       7.055   14 
-    550000       55000.00      30.998     -14.541      16.457 1682.582790   7.63 0.071 0.500 0.136 0.979     281.233     340.000      12.210   14 
-    560000       56000.00      31.993     -14.852      17.141 1697.366710   9.38 0.143 0.500 0.170 0.470     290.257     340.000      11.401   14 
-    570000       57000.00      42.841     -10.597      32.244 1751.691830   6.64 0.000 1.000 0.212 1.062     388.673     340.000       8.027   14 
-    580000       58000.00      35.804      -7.680      28.124 1780.809206   6.08 0.000 1.000 0.333 0.416     324.832     340.000       8.360   14 
-    590000       59000.00      45.317      -7.288      38.029 1813.567105   5.52 0.000 1.000 0.182 0.479     411.143     340.000       9.971   14 
-    600000       60000.00      34.607     -18.270      16.337 1866.345633   8.20 0.071 0.500 0.159 1.595     313.970     340.000      11.080   14 
-    610000       61000.00      48.276     -16.725      31.551 1858.907685   5.48 0.143 0.667 0.265 0.452     437.983     330.000       8.909   14 
-    620000       62000.00      40.754     -13.742      27.012 1889.804287   6.08 0.071 0.667 0.303 1.220     369.746     330.000       8.939   14 
-    630000       63000.00      33.083     -24.189       8.894 1960.548877   4.64 0.357 0.583 0.360 0.636     300.144     330.000       6.769   14 
-    640000       64000.00      34.357     -31.284       3.074 1979.199210   4.81 0.214 0.400 0.355 0.741     311.709     330.000       9.035   14 
-    650000       65000.00      28.090     -18.471       9.619 2001.369653   4.77 0.000 1.000 0.159 0.777     254.845     330.000       8.244   14 
-    660000       66000.00      33.298     -15.430      17.869 2024.054793   8.78 0.143 0.000 0.159 0.726     302.101     330.000      13.265   14 
-    670000       67000.00      35.703     -29.395       6.308 2053.037664   4.19 0.286 0.429 0.273 0.629     323.919     330.000       8.436   14 
-    680000       68000.00      38.613     -20.554      18.060 2066.468913   5.04 0.286 0.500 0.409 0.348     350.320     330.000       7.849   14 
-    690000       69000.00      34.370     -10.776      23.594 2099.474438   6.57 0.214 0.400 0.155 0.828     311.819     330.000       9.308   14 
-    700000       70000.00      32.210     -13.963      18.247 2113.117892   5.33 0.286 0.333 0.341 0.270     292.223     330.000       8.026   14 
-    710000       71000.00      39.602      -7.177      32.425 2209.117126   4.56 0.214 0.400 0.282 0.987     359.287     340.000       7.766   14 
-    720000       72000.00      48.743     -24.566      24.177 2242.931480   3.79 0.214 0.500 0.295 1.014     442.224     340.000       8.406   14 
-    730000       73000.00      31.993     -18.363      13.630 2281.192091   5.67 0.071 0.857 0.292 0.858     290.257     340.000       8.640   14 
-    740000       74000.00      32.063     -21.811      10.252 2299.290051   7.20 0.143 0.600 0.227 0.638     290.892     340.000      10.279   14 
-    750000       75000.00      33.183      -2.960      30.223 2339.324509  11.74 0.000 1.000 0.136 0.659     301.057     340.000      15.370   14 
-    760000       76000.00      28.845     -20.665       8.180 2359.810695   5.91 0.000 1.000 0.212 0.866     261.693     340.000       7.853   14 
-    770000       77000.00      35.706      -6.617      29.089 2386.993417   6.26 0.071 0.500 0.205 1.134     323.944     340.000       7.806   14 
-    780000       78000.00      43.403     -26.573      16.830 2442.978326   5.90 0.143 0.750 0.403 0.581     393.775     340.000       7.250   14 
-    790000       79000.00      31.657     -16.473      15.183 2452.531259   5.42 0.000 1.000 0.379 1.045     287.205     340.000       8.226   14 
-    800000       80000.00      36.463     -11.126      25.337 2492.202122   4.50 0.071 0.750 0.409 1.104     330.813     340.000       8.876   14 
-    810000       81000.00      41.671      -8.671      33.000 2534.196671  12.12 0.071 0.000 0.136 0.999     378.060     340.000      15.798   14 
-    820000       82000.00      42.989     -13.058      29.931 2548.601854   9.42 0.071 0.000 0.136 0.870     390.016     340.000      12.804   14 
-    830000       83000.00      48.820     -14.015      34.805 2564.032742   5.31 0.143 0.600 0.491 1.639     442.924     340.000       7.794   14 
-    840000       84000.00      40.568     -17.973      22.596 2632.594418   5.28 0.071 0.800 0.482 0.471     368.057     340.000       7.254   14 
-    850000       85000.00      35.146     -21.623      13.523 2656.693324   4.66 0.143 0.750 0.295 1.386     318.863     340.000       7.346   14 
-    860000       86000.00      32.695     -15.260      17.435 2701.559880   3.94 0.143 0.600 0.445 0.782     296.626     340.000       8.039   14 
-    870000       87000.00      31.793     -24.362       7.431 2727.684232   3.17 0.143 0.818 0.368 0.620     288.444     340.000       7.466   14 
-    880000       88000.00      35.937     -19.333      16.603 2743.159082   4.01 0.357 0.583 0.447 0.785     326.037     340.000       6.955   14 
-    890000       89000.00      33.495     -22.603      10.892 2750.684140   4.53 0.071 0.750 0.364 1.127     303.882     340.000       8.488   14 
-    900000       90000.00      32.522     -22.313      10.209 2762.980216   6.49 0.071 0.667 0.197 0.638     295.057     340.000       9.772   14 
-    910000       91000.00      35.678     -20.557      15.122 2717.102413   5.05 0.214 0.500 0.333 0.919     323.693     330.000       7.318   14 
-    920000       92000.00      53.981     -20.013      33.968 2794.845195   4.54 0.143 0.667 0.333 0.985     489.744     330.000       8.423   14 
-    930000       93000.00      42.200     -24.211      17.989 2803.827044   4.98 0.357 0.500 0.364 0.682     382.863     330.000       7.752   14 
-    940000       94000.00      34.040      -8.917      25.123 2836.414859   5.48 0.000 1.000 0.466 0.449     308.825     330.000       8.623   14 
-    950000       95000.00      30.266     -29.821       0.444 2880.936466   5.79 0.286 0.429 0.214 0.529     274.585     330.000       8.898   14 
-    960000       96000.00      29.942     -16.160      13.782 2895.170147   7.46 0.214 0.400 0.173 0.951     271.647     330.000      11.142   14 
-    970000       97000.00      35.301     -17.644      17.657 2932.137111   5.92 0.357 0.444 0.162 1.252     320.267     330.000       9.853   14 
-    980000       98000.00      35.606     -33.113       2.493 2948.074183   6.77 0.286 0.636 0.318 0.411     323.032     330.000       6.696   14 
-    990000       99000.00      37.384     -16.404      20.980 2968.817820   6.50 0.214 0.571 0.234 0.504     339.170     330.000       8.201   14 
-   1000000      100000.00      30.058     -30.844      -0.787 2999.789619   4.97 0.143 0.714 0.370 0.609     272.697     330.000       7.775   14 
+     10000        1000.00      33.234      -6.118      27.116   71.082237   6.33 0.000 1.000 0.602 0.971     301.516     390.000       8.421   14 
+     20000        2000.00      38.302      -3.617      34.685  119.350733   7.75 0.071 0.667 0.152 1.235     347.493     390.000      11.707   14 
+     30000        3000.00      43.838     -14.163      29.676  132.513999   5.67 0.143 0.600 0.418 1.366     397.725     390.000       8.282   14 
+     40000        4000.00      50.730     -11.422      39.308  162.731131   4.24 0.071 0.875 0.369 0.563     460.245     390.000       7.487   14 
+     50000        5000.00      33.781      -6.941      26.840  207.990420   8.48 0.000   NaN   NaN 1.104     306.477     390.000      11.602   14 
+     60000        6000.00      36.154      -0.822      35.332  250.106748  10.59 0.071 0.000 0.136 0.912     328.007     390.000      14.176   14 
+     70000        7000.00      31.723       4.609      36.332  324.625470   9.19 0.000   NaN   NaN 0.697     287.806     390.000      12.504   14 
+     80000        8000.00      41.888       8.787      50.675  392.955083   8.93 0.000   NaN   NaN 0.445     380.026     390.000      11.971   14 
+     90000        9000.00      58.075     -13.644      44.431  422.454288   5.16 0.143 0.667 0.432 0.971     526.887     390.000       8.346   14 
+    100000       10000.00      45.662       4.254      49.916  466.270004   4.93 0.357 0.375 0.403 1.136     414.268     390.000       7.598   14 
+    110000       11000.00      37.405     -10.553      26.852  487.368772   5.09 0.143 0.667 0.402 0.975     339.355     380.000       8.551   14 
+    120000       12000.00      41.785      -6.703      35.082  506.898012   7.92 0.071 0.000 0.136 0.350     379.099     380.000      10.189   14 
+    130000       13000.00      55.771       2.945      58.716  551.711018   8.21 0.143 0.000 0.159 1.048     505.984     380.000      11.653   14 
+    140000       14000.00      51.708      -4.417      47.291  581.141897   4.47 0.071 0.667 0.152 0.486     469.123     380.000       8.440   14 
+    150000       15000.00      43.155      -2.062      41.092  620.170031   5.67 0.000   NaN   NaN 0.806     391.522     380.000       9.196   14 
+    160000       16000.00      43.416      -1.546      41.871  665.627201   6.97 0.143 0.333 0.182 1.913     393.897     380.000      10.664   14 
+    170000       17000.00      42.631       1.509      44.141  707.927833   4.83 0.143 0.333 0.288 0.932     386.775     380.000       9.196   14 
+    180000       18000.00      57.046      -7.317      49.730  739.418700   7.22 0.143 0.500 0.216 1.085     517.552     380.000       7.768   14 
+    190000       19000.00      38.600      -1.441      37.160  780.613494   5.11 0.143 0.333 0.318 0.553     350.201     380.000       9.017   14 
+    200000       20000.00      56.301     -15.151      41.150  801.226823  10.69 0.143 0.000 0.159 0.940     510.794     380.000      14.210   14 
+    210000       21000.00      36.973     -14.812      22.162  831.641912   7.04 0.143 0.667 0.182 0.733     335.441     370.000       8.754   14 
+    220000       22000.00      41.141     -11.763      29.378  867.603535  11.24 0.071 0.000 0.182 0.595     373.256     370.000      14.453   14 
+    230000       23000.00      40.213      -6.713      33.500  949.372893   7.91 0.000   NaN   NaN 1.247     364.829     370.000      12.886   14 
+    240000       24000.00      38.577     -10.269      28.308  990.295507   6.09 0.071 0.500 0.341 1.027     349.991     370.000       9.659   14 
+    250000       25000.00      49.223     -14.321      34.903 1027.334353   9.54 0.000 1.000 0.182 0.955     446.579     370.000      12.948   14 
+    260000       26000.00      42.476     -16.318      26.158 1046.349057   9.76 0.071 0.000 0.136 0.581     385.365     370.000      12.459   14 
+    270000       27000.00      43.081     -13.105      29.976 1090.452197   5.48 0.000 1.000 0.773 0.662     390.849     370.000       9.421   14 
+    280000       28000.00      35.855      -4.944      30.911 1112.392700   7.09 0.000 1.000 0.182 1.011     325.294     370.000      11.209   14 
+    290000       29000.00      35.677     -10.172      25.505 1158.815862   5.92 0.143 0.500 0.489 0.748     323.679     370.000       8.101   14 
+    300000       30000.00      41.854      -6.796      35.059 1196.762064   4.63 0.143 0.750 0.381 0.587     379.723     370.000       7.783   14 
+    310000       31000.00      49.818      -2.950      46.868 1207.601404   6.19 0.000 1.000 0.273 1.193     451.973     360.000       9.094   14 
+    320000       32000.00      50.166     -12.072      38.093 1281.808535   5.59 0.071 0.750 0.284 1.023     455.128     360.000       9.048   14 
+    330000       33000.00      39.275     -13.167      26.107 1320.266324   6.67 0.143 0.778 0.434 1.286     356.321     360.000       7.986   14 
+    340000       34000.00      33.033     -17.570      15.463 1327.500425   6.08 0.071 0.857 0.526 0.705     299.690     360.000       7.677   14 
+    350000       35000.00      46.593      -7.158      39.435 1370.901521   5.55 0.071 0.750 0.352 1.252     422.713     360.000       8.114   14 
+    360000       36000.00      34.650     -18.414      16.236 1400.304113   5.65 0.000 1.000 0.216 1.030     314.362     360.000       8.249   14 
+    370000       37000.00      37.916     -14.872      23.044 1407.733257   5.58 0.000 1.000 0.402 0.764     343.995     360.000       8.025   14 
+    380000       38000.00      29.508      -2.764      26.744 1432.073056   6.58 0.000   NaN   NaN 2.004     267.714     360.000       8.649   14 
+    390000       39000.00      41.029      -9.165      31.865 1509.465541   5.76 0.143 0.500 0.170 0.982     372.240     360.000       9.968   14 
+    400000       40000.00      35.956     -21.497      14.459 1557.755483   5.26 0.071 0.875 0.551 0.671     326.207     360.000       7.511   14 
+    410000       41000.00      34.584      -5.326      29.258 1529.063433   5.68 0.000   NaN   NaN 0.636     313.765     350.000       9.136   14 
+    420000       42000.00      46.843      -7.817      39.026 1562.731089   4.43 0.000 1.000 0.364 0.832     424.983     350.000       8.764   14 
+    430000       43000.00      41.422      -9.921      31.502 1588.610867   5.58 0.143 0.750 0.472 0.463     375.805     350.000       8.927   14 
+    440000       44000.00      37.730     -30.217       7.513 1626.540332   5.30 0.357 0.688 0.344 0.526     342.306     350.000       7.012   14 
+    450000       45000.00      41.734     -20.281      21.453 1643.507424   4.44 0.143 0.714 0.331 1.681     378.633     350.000       8.138   14 
+    460000       46000.00      39.165     -11.763      27.402 1706.248340   4.87 0.214 0.571 0.318 0.646     355.324     350.000       7.750   14 
+    470000       47000.00      40.904     -14.437      26.467 1723.630721   6.53 0.071 0.833 0.288 0.835     371.104     350.000       9.692   14 
+    480000       48000.00      41.909      -8.198      33.711 1747.294469   9.80 0.143 0.333 0.152 1.233     380.224     350.000      13.023   14 
+    490000       49000.00      33.134     -15.054      18.080 1778.743877   7.47 0.143 0.500 0.170 0.875     300.608     350.000      10.420   14 
+    500000       50000.00      34.504     -17.119      17.386 1851.514488   6.77 0.071 0.833 0.235 0.458     313.041     350.000       7.992   14 
+    510000       51000.00      36.425     -11.989      24.436 1852.113957   6.52 0.071 0.750 0.443 0.601     330.465     340.000       9.208   14 
+    520000       52000.00      30.561     -21.920       8.640 1876.722192   5.31 0.143 0.818 0.360 1.583     277.262     340.000       7.380   14 
+    530000       53000.00      42.477     -24.824      17.653 1943.374689   5.48 0.143 0.833 0.352 0.921     385.373     340.000       6.919   14 
+    540000       54000.00      47.212     -22.596      24.616 1977.209230   6.26 0.071 0.889 0.328 0.718     428.332     340.000       7.268   14 
+    550000       55000.00      34.304     -14.904      19.400 1987.163050   4.29 0.143 0.500 0.318 0.706     311.227     340.000       8.321   14 
+    560000       56000.00      35.755     -26.369       9.386 2009.844896   4.57 0.286 0.600 0.268 0.694     324.386     340.000       7.893   14 
+    570000       57000.00      33.778      -5.521      28.257 2043.745573   7.38 0.143 0.600 0.318 2.883     306.452     340.000       9.335   14 
+    580000       58000.00      50.717     -14.270      36.447 2058.065982   7.64 0.214 0.250 0.159 0.657     460.128     340.000      11.210   14 
+    590000       59000.00      35.923      -5.523      30.400 2065.582242   8.24 0.071 0.000 0.136 0.425     325.914     340.000      13.170   14 
+    600000       60000.00      30.405     -13.591      16.814 2079.467395   6.38 0.000 1.000 0.303 0.567     275.849     340.000       9.079   14 
+    610000       61000.00      39.262     -18.881      20.381 2102.227511   4.47 0.143 0.714 0.416 0.909     356.209     340.000       8.220   14 
+    620000       62000.00      37.329     -36.011       1.318 2122.156818   4.56 0.286 0.556 0.288 1.151     338.669     340.000       7.543   14 
+    630000       63000.00      34.880     -32.644       2.236 2135.860651   6.12 0.214 0.571 0.273 0.992     316.447     340.000       7.160   14 
+    640000       64000.00      36.190     -22.265      13.925 2148.389656   5.76 0.143 0.800 0.250 0.931     328.334     340.000       7.055   14 
+    650000       65000.00      46.157     -27.338      18.819 2157.915419   5.22 0.143 0.500 0.148 0.625     418.761     340.000       7.929   14 
+    660000       66000.00      29.897     -14.062      15.835 2173.510794   6.13 0.071 0.800 0.536 1.149     271.245     340.000       7.523   14 
+    670000       67000.00      41.889     -23.636      18.253 2189.463302   5.02 0.286 0.333 0.326 0.662     380.035     340.000       7.714   14 
+    680000       68000.00      39.832     -35.022       4.810 2215.056763   5.88 0.143 0.714 0.344 1.295     361.377     340.000       7.500   14 
+    690000       69000.00      31.466     -15.585      15.880 2242.992627   5.57 0.214 0.571 0.305 0.622     285.471     340.000       7.372   14 
+    700000       70000.00      33.750     -12.672      21.078 2259.538833   5.82 0.143 0.600 0.218 0.432     306.198     340.000       8.288   14 
+    710000       71000.00      43.073     -19.392      23.680 2221.244840   5.23 0.071 0.875 0.318 0.686     390.778     330.000       7.284   14 
+    720000       72000.00      30.502     -34.599      -4.097 2238.697457   5.92 0.143 0.818 0.430 0.939     276.731     330.000       7.421   14 
+    730000       73000.00      42.862     -27.142      15.719 2275.955799   5.81 0.143 0.833 0.398 1.146     388.862     330.000       6.945   14 
+    740000       74000.00      43.707     -22.682      21.024 2296.563807   7.06 0.071 0.889 0.278 1.122     396.528     330.000       7.276   14 
+    750000       75000.00      37.065     -28.604       8.462 2321.767495   6.31 0.143 0.800 0.355 1.050     336.277     330.000       6.970   14 
+    760000       76000.00      40.585     -22.090      18.495 2359.562116   5.49 0.000 1.000 0.245 0.844     368.205     330.000       8.836   14 
+    770000       77000.00      34.949     -33.133       1.815 2374.053624   6.40 0.143 0.667 0.250 0.901     317.071     330.000       7.234   14 
+    780000       78000.00      31.526     -14.010      17.516 2403.965162   6.00 0.214 0.727 0.322 0.366     286.024     330.000       7.060   14 
+    790000       79000.00      43.490     -19.262      24.228 2421.008978   5.76 0.071 0.750 0.409 0.934     394.566     330.000       8.714   14 
+    800000       80000.00      40.726     -24.345      16.380 2452.737561   6.76 0.214 0.700 0.336 1.419     369.484     330.000       7.264   14 
+    810000       81000.00      28.956     -10.414      18.541 2478.857870   4.15 0.071 0.667 0.500 1.415     262.702     330.000       8.858   14 
+    820000       82000.00      36.171     -11.803      24.367 2489.433615   5.39 0.071 0.875 0.477 0.857     328.158     330.000       8.321   14 
+    830000       83000.00      41.816     -16.602      25.214 2508.082297   4.79 0.143 0.500 0.455 0.560     379.377     330.000       7.712   14 
+    840000       84000.00      39.888     -24.107      15.781 2555.720268   4.69 0.071 0.909 0.351 0.951     361.883     330.000       7.500   14 
+    850000       85000.00      36.110     -21.209      14.900 2578.497197   5.44 0.071 0.800 0.309 1.443     327.606     330.000       6.849   14 
+    860000       86000.00      36.234     -27.670       8.564 2590.100651   4.77 0.143 0.500 0.341 0.866     328.730     330.000       7.464   14 
+    870000       87000.00      41.716     -31.144      10.572 2615.240696   6.06 0.286 0.733 0.418 0.771     378.466     330.000       6.755   14 
+    880000       88000.00      34.268     -24.581       9.687 2638.908017   5.07 0.071 0.857 0.448 0.345     310.897     330.000       7.937   14 
+    890000       89000.00      40.610     -12.180      28.429 2647.357026   9.04 0.071 0.000 0.136 0.876     368.434     330.000      12.705   14 
+    900000       90000.00      40.624     -23.911      16.713 2668.370181   4.05 0.286 0.429 0.325 0.769     368.561     330.000       7.816   14 
+    910000       91000.00      33.640     -18.030      15.610 2594.001021   5.23 0.214 0.571 0.377 1.004     305.200     320.000       7.877   14 
+    920000       92000.00      39.632     -25.309      14.324 2617.002271   7.47 0.071 0.750 0.205 0.288     359.564     320.000       8.461   14 
+    930000       93000.00      28.580     -32.508      -3.927 2629.571936   4.28 0.214 0.750 0.311 1.246     259.296     320.000       7.254   14 
+    940000       94000.00      38.862     -37.601       1.261 2640.768443   5.53 0.214 0.500 0.280 0.705     352.573     320.000       7.402   14 
+    950000       95000.00      30.605     -33.781      -3.176 2669.255027   4.47 0.286 0.667 0.186 0.572     277.666     320.000       6.907   14 
+    960000       96000.00      33.733     -34.691      -0.958 2676.370037   4.45 0.214 0.700 0.191 0.656     306.042     320.000       7.505   14 
+    970000       97000.00      35.730     -26.990       8.739 2685.656127   5.00 0.214 0.500 0.212 1.523     324.157     320.000       7.743   14 
+    980000       98000.00      30.788     -31.583      -0.795 2717.944599   4.72 0.000 1.000 0.455 1.044     279.325     320.000       9.409   14 
+    990000       99000.00      34.946     -15.413      19.532 2743.316958   5.45 0.143 0.714 0.422 0.879     317.045     320.000       7.788   14 
+   1000000      100000.00      27.177     -26.614       0.564 2757.552380   4.49 0.071 0.889 0.419 0.532     246.568     320.000       7.082   14 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB015.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB015.stat
index 9e36d73..3b4a31c 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB015.stat
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB015.stat
@@ -1,101 +1,101 @@
          0           0.00      41.798      24.561      66.359    0.000000  12.87 0.000   NaN   NaN 0.715     379.213     400.000      15.552   15 
-     10000        1000.00      50.141       8.900      59.040   68.370598   6.48 0.000 1.000 0.280 1.039     454.902     400.000       7.869   15 
-     20000        2000.00      41.019      -3.050      37.970  130.232934   5.78 0.000 1.000 0.621 1.077     372.148     400.000       8.133   15 
-     30000        3000.00      44.680      -6.282      38.398  159.507907   8.61 0.000 1.000 0.227 1.006     405.362     400.000      11.773   15 
-     40000        4000.00      44.839       1.091      45.930  196.661171   6.48 0.071 0.800 0.545 1.223     406.804     400.000       8.233   15 
-     50000        5000.00      49.689       7.258      56.947  241.552682   8.27 0.000   NaN   NaN 1.287     450.803     400.000      11.534   15 
-     60000        6000.00      38.583       7.988      46.572  287.678218   8.44 0.071 0.750 0.159 0.355     350.047     400.000      11.899   15 
-     70000        7000.00      52.006       5.622      57.628  329.959577   6.84 0.071 0.500 0.136 0.848     471.829     400.000      10.451   15 
-     80000        8000.00      42.227       1.808      44.035  352.352225   8.38 0.000 1.000 0.136 0.564     383.105     400.000      11.025   15 
-     90000        9000.00      45.047     -10.192      34.855  393.263841   4.57 0.143 0.500 0.250 1.084     408.691     400.000       9.020   15 
-    100000       10000.00      47.529     -11.595      35.934  419.249715   5.57 0.071 0.800 0.500 1.075     431.210     400.000       9.079   15 
-    110000       11000.00      38.930       4.452      43.382  458.379496   4.58 0.000   NaN   NaN 0.565     353.196     390.000       9.476   15 
-    120000       12000.00      36.876     -10.600      26.276  498.326634   5.13 0.000   NaN   NaN 1.059     334.556     390.000       9.697   15 
-    130000       13000.00      46.935      -7.370      39.564  532.280974   9.51 0.000   NaN   NaN 0.870     425.814     390.000      14.122   15 
-    140000       14000.00      41.911       1.672      43.583  590.151778   5.41 0.000 1.000 0.136 0.823     380.234     390.000       9.808   15 
-    150000       15000.00      50.323      -7.439      42.884  638.933805   4.80 0.071 0.857 0.500 1.201     456.558     390.000       8.541   15 
-    160000       16000.00      51.630     -13.605      38.025  683.522819   6.17 0.214 0.769 0.434 0.772     468.413     390.000       7.527   15 
-    170000       17000.00      56.208     -20.899      35.310  669.378201   5.22 0.071 0.800 0.264 1.296     509.950     390.000       8.516   15 
-    180000       18000.00      47.297     -15.415      31.881  709.121326   6.36 0.071 0.800 0.445 0.825     429.099     390.000       8.374   15 
-    190000       19000.00      42.597       5.068      47.665  752.231485   7.68 0.000 1.000 0.409 0.823     386.458     390.000       8.852   15 
-    200000       20000.00      45.818      -8.949      36.868  803.053185   4.89 0.071 0.667 0.182 0.583     415.680     390.000       8.569   15 
-    210000       21000.00      42.107      -9.367      32.739  818.542334   5.44 0.071 0.833 0.265 0.868     382.015     380.000       8.836   15 
-    220000       22000.00      48.646      -2.540      46.105  851.110545   8.55 0.000 1.000 0.182 0.765     441.337     380.000      12.411   15 
-    230000       23000.00      41.667       0.198      41.865  869.927883   6.73 0.071 0.833 0.500 0.715     378.024     380.000       7.406   15 
-    240000       24000.00      40.866      -2.702      38.164  924.085029   6.85 0.071 0.500 0.159 0.801     370.753     380.000      11.483   15 
-    250000       25000.00      37.661      -7.343      30.318  954.269361   9.28 0.071 0.500 0.205 0.759     341.682     380.000      12.331   15 
-    260000       26000.00      35.582      -7.423      28.159  986.212942   9.89 0.000   NaN   NaN 0.843     322.820     380.000      13.479   15 
-    270000       27000.00      36.300     -10.752      25.547 1034.173837   4.39 0.071 0.750 0.307 0.605     329.332     380.000       8.740   15 
-    280000       28000.00      40.775      -2.893      37.882 1075.307716   7.13 0.143 0.333 0.182 0.548     369.929     380.000       8.924   15 
-    290000       29000.00      36.485       1.329      37.814 1126.465111   6.20 0.071 0.667 0.212 0.859     331.012     380.000       9.505   15 
-    300000       30000.00      41.345     -22.057      19.288 1156.377104  10.53 0.071 0.667 0.152 1.164     375.102     380.000      12.826   15 
-    310000       31000.00      35.943      -9.890      26.053 1147.300307   6.25 0.071 0.833 0.273 1.224     326.091     370.000       8.209   15 
-    320000       32000.00      51.811     -17.328      34.483 1183.111759   5.48 0.143 0.714 0.383 0.372     470.058     370.000       7.791   15 
-    330000       33000.00      38.772     -13.861      24.911 1225.135556   5.45 0.143 0.667 0.258 1.470     351.763     370.000       8.764   15 
-    340000       34000.00      38.988     -15.534      23.454 1296.281860   5.87 0.143 0.333 0.197 0.463     353.717     370.000      10.085   15 
-    350000       35000.00      40.594     -13.138      27.455 1314.986575   5.00 0.000 1.000 0.655 0.946     368.287     370.000       8.380   15 
-    360000       36000.00      42.365       7.231      49.596 1335.630503   8.63 0.000   NaN   NaN 0.554     384.362     370.000      13.531   15 
-    370000       37000.00      45.463      -5.817      39.645 1371.192134   7.23 0.000   NaN   NaN 1.177     412.460     370.000      11.577   15 
-    380000       38000.00      34.865      -4.872      29.992 1429.193986  10.40 0.000 1.000 0.136 0.805     316.311     370.000      13.948   15 
-    390000       39000.00      39.522      -5.849      33.673 1469.958001   8.35 0.000 1.000 0.205 0.734     358.563     370.000      12.339   15 
-    400000       40000.00      39.784      -4.777      35.007 1502.551041   6.50 0.000 1.000 0.485 0.802     360.938     370.000       8.805   15 
-    410000       41000.00      46.794     -10.141      36.653 1676.817132   6.96 0.000   NaN   NaN 1.755     424.542     400.000      11.152   15 
-    420000       42000.00      49.478      -7.133      42.345 1722.073674   3.72 0.286 0.429 0.286 0.460     448.887     400.000       7.244   15 
-    430000       43000.00      44.820      20.246      65.067 1738.514397  10.47 0.000   NaN   NaN 1.157     406.634     400.000      14.411   15 
-    440000       44000.00      51.208      -6.963      44.245 1782.065274   7.20 0.071 0.667 0.182 0.648     464.587     400.000       9.617   15 
-    450000       45000.00      42.732      -1.672      41.060 1832.125023   8.19 0.000 1.000 0.250 0.757     387.684     400.000      11.536   15 
-    460000       46000.00      53.697      -1.263      52.434 1864.636453   9.17 0.071 0.500 0.182 0.761     487.166     400.000      13.659   15 
-    470000       47000.00      43.825       3.921      47.746 1902.326446   8.68 0.071 0.000 0.136 0.730     397.605     400.000      12.851   15 
-    480000       48000.00      43.988      -7.788      36.201 1909.094082   8.79 0.000   NaN   NaN 0.735     399.085     400.000      13.456   15 
-    490000       49000.00      44.034      -2.677      41.356 1932.714741  11.25 0.000   NaN   NaN 0.741     399.498     400.000      15.084   15 
-    500000       50000.00      40.233      -5.494      34.739 1988.421419   8.48 0.071 0.000 0.227 1.046     365.011     400.000      10.328   15 
-    510000       51000.00      45.012       1.109      46.121 1979.788339  11.98 0.000   NaN   NaN 0.830     408.374     390.000      15.318   15 
-    520000       52000.00      27.516      -4.475      23.041 2017.387415   5.52 0.000 1.000 0.212 0.540     249.640     390.000      10.179   15 
-    530000       53000.00      39.468      -0.517      38.951 2061.922296   3.87 0.071 0.800 0.473 1.036     358.079     390.000       7.931   15 
-    540000       54000.00      35.572      -8.320      27.252 2146.413717   5.60 0.000 1.000 0.379 0.746     322.725     390.000       9.891   15 
-    550000       55000.00      42.588      -3.653      38.935 2167.256890   9.95 0.000   NaN   NaN 0.905     386.383     390.000      12.721   15 
-    560000       56000.00      41.413     -18.724      22.690 2226.355521   4.25 0.143 0.600 0.436 1.330     375.723     390.000       8.226   15 
-    570000       57000.00      41.869     -16.669      25.200 2263.533388   5.31 0.143 0.667 0.409 0.454     379.860     390.000       7.735   15 
-    580000       58000.00      34.121      12.105      46.225 2272.957343   7.92 0.000   NaN   NaN 1.030     309.560     390.000       9.853   15 
-    590000       59000.00      44.082     -12.101      31.981 2305.229416   7.79 0.143 0.333 0.197 1.895     399.938     390.000      10.994   15 
-    600000       60000.00      33.866      -5.260      28.606 2339.326906   9.07 0.000 1.000 0.182 0.419     307.249     390.000      11.542   15 
-    610000       61000.00      43.267     -10.422      32.845 2321.951032   6.07 0.071 0.500 0.205 0.945     392.541     380.000       8.207   15 
-    620000       62000.00      46.459     -16.800      29.659 2362.979646   6.81 0.000 1.000 0.466 0.830     421.500     380.000       8.225   15 
-    630000       63000.00      43.707       2.381      46.087 2410.346579   6.31 0.000 1.000 0.682 0.918     396.530     380.000       8.727   15 
-    640000       64000.00      40.929     -11.084      29.846 2482.260783   5.28 0.000 1.000 0.536 0.436     371.331     380.000       8.610   15 
-    650000       65000.00      40.854      -8.330      32.524 2516.067871   5.70 0.000   NaN   NaN 0.906     370.649     380.000       9.164   15 
-    660000       66000.00      46.651     -11.030      35.620 2556.589730   5.32 0.143 0.500 0.250 0.799     423.239     380.000       8.166   15 
-    670000       67000.00      46.397      -9.416      36.981 2605.605262   8.75 0.143 0.600 0.155 0.892     420.937     380.000      11.908   15 
-    680000       68000.00      43.500      -2.384      41.116 2666.914193   5.79 0.143 0.500 0.182 0.849     394.658     380.000       9.132   15 
-    690000       69000.00      41.937      -7.082      34.855 2691.967529   3.86 0.071 0.750 0.261 0.903     380.472     380.000       8.338   15 
-    700000       70000.00      49.690      -8.865      40.824 2734.448618   5.44 0.071 0.667 0.500 0.473     450.812     380.000       8.524   15 
-    710000       71000.00      39.112     -19.950      19.162 2757.199041   6.54 0.143 0.600 0.200 0.759     354.841     370.000       9.760   15 
-    720000       72000.00      40.382     -14.682      25.700 2795.219169   8.67 0.214 0.250 0.148 0.719     366.370     370.000      12.715   15 
-    730000       73000.00      47.504     -14.057      33.446 2843.916320   8.89 0.071 0.500 0.205 1.105     430.978     370.000      11.353   15 
-    740000       74000.00      31.839      -1.578      30.261 2902.246935   4.62 0.000 1.000 0.345 0.855     288.858     370.000       7.830   15 
-    750000       75000.00      45.229     -15.227      30.002 2910.541391   7.39 0.071 0.750 0.250 0.823     410.341     370.000       7.791   15 
-    760000       76000.00      37.480      -7.575      29.905 2943.480898   5.93 0.071 0.500 0.295 1.977     340.039     370.000       9.009   15 
-    770000       77000.00      41.074     -10.708      30.365 2955.795803   5.28 0.071 0.000 0.136 0.731     372.641     370.000       9.361   15 
-    780000       78000.00      44.791      -1.449      43.342 2982.519416   9.49 0.143 0.333 0.212 1.217     406.370     370.000      11.671   15 
-    790000       79000.00      35.713       4.461      40.173 3017.317319   8.24 0.071 0.500 0.227 0.455     324.005     370.000      10.785   15 
-    800000       80000.00      42.942      -2.394      40.547 3037.854318   8.49 0.000   NaN   NaN 0.621     389.587     370.000      12.296   15 
-    810000       81000.00      36.198     -10.531      25.667 2984.238136   5.48 0.071 0.667 0.197 0.587     328.404     360.000       8.997   15 
-    820000       82000.00      36.517     -11.401      25.116 3003.476649   6.68 0.071 0.500 0.273 0.867     331.305     360.000      10.728   15 
-    830000       83000.00      47.091     -11.456      35.636 3052.345008   8.01 0.000 1.000 0.250 0.907     427.237     360.000      10.377   15 
-    840000       84000.00      48.854      -3.985      44.869 3093.274341   6.47 0.071 0.857 0.435 0.982     443.227     360.000       7.806   15 
-    850000       85000.00      45.674     -12.573      33.101 3125.697656   7.23 0.000 1.000 0.364 0.538     414.378     360.000       9.443   15 
-    860000       86000.00      32.943       1.761      34.704 3143.296882   6.07 0.000 1.000 0.212 1.016     298.880     360.000      10.007   15 
-    870000       87000.00      39.275      -9.140      30.136 3174.816611   7.55 0.071 0.500 0.227 0.672     356.327     360.000      10.657   15 
-    880000       88000.00      42.333      -7.910      34.423 3237.078742   6.28 0.071 0.667 0.182 1.196     384.067     360.000       8.621   15 
-    890000       89000.00      30.940       1.653      32.594 3282.589057   6.24 0.143 0.333 0.227 0.529     280.705     360.000       9.303   15 
-    900000       90000.00      41.588      -4.824      36.764 3309.958610   4.27 0.071 0.667 0.136 0.460     377.305     360.000       9.319   15 
-    910000       91000.00      39.482     -25.645      13.838 3258.117775   3.79 0.286 0.556 0.434 0.868     358.204     350.000       6.970   15 
-    920000       92000.00      45.921     -18.471      27.449 3282.675022   4.51 0.143 0.600 0.200 0.738     416.616     350.000       7.500   15 
-    930000       93000.00      47.924     -19.497      28.426 3316.677311   3.70 0.143 0.800 0.214 0.467     434.787     350.000       7.527   15 
-    940000       94000.00      39.774     -13.198      26.576 3336.555516   4.96 0.143 0.667 0.235 0.576     360.851     350.000       8.695   15 
-    950000       95000.00      41.241     -12.055      29.186 3356.934868   4.25 0.071 0.750 0.239 0.605     374.160     350.000       9.037   15 
-    960000       96000.00      36.592     -14.432      22.160 3433.841861   6.15 0.071 0.875 0.335 0.919     331.983     350.000       7.772   15 
-    970000       97000.00      48.241     -16.001      32.240 3452.998086   5.84 0.143 0.600 0.209 0.528     437.667     350.000       7.129   15 
-    980000       98000.00      29.747     -19.574      10.172 3503.252082   7.68 0.143 0.714 0.292 0.906     269.879     350.000      10.297   15 
-    990000       99000.00      38.585     -20.731      17.854 3568.574661   5.42 0.214 0.667 0.444 0.423     350.063     350.000       7.586   15 
-   1000000      100000.00      39.041     -11.601      27.440 3624.795508   4.29 0.143 0.333 0.394 0.488     354.203     350.000       8.562   15 
+     10000        1000.00      38.432      -4.863      33.569   79.564466   5.49 0.071 0.500 0.295 0.586     348.670     400.000       8.950   15 
+     20000        2000.00      42.464      -1.340      41.124  147.752962   5.74 0.000   NaN   NaN 1.304     385.253     400.000       8.729   15 
+     30000        3000.00      35.449     -13.558      21.891  197.608262   7.80 0.071 0.500 0.250 0.737     321.614     400.000      10.911   15 
+     40000        4000.00      32.881      -2.585      30.296  260.108583  12.92 0.000   NaN   NaN 0.985     298.312     400.000      16.706   15 
+     50000        5000.00      38.556      -0.372      38.184  297.290918   7.70 0.071 0.750 0.318 0.743     349.798     400.000       8.800   15 
+     60000        6000.00      47.515       0.532      48.047  319.702521   6.00 0.000 1.000 0.136 0.970     431.083     400.000       9.233   15 
+     70000        7000.00      36.277       0.317      36.594  358.391847  10.47 0.071 0.000 0.136 0.571     329.122     400.000      14.051   15 
+     80000        8000.00      45.651      -9.257      36.394  409.541394   7.77 0.000 1.000 0.273 0.972     414.167     400.000      10.886   15 
+     90000        9000.00      61.871      -6.007      55.864  478.836312   8.28 0.214 0.000 0.136 2.021     561.329     400.000      11.706   15 
+    100000       10000.00      44.712      -8.767      35.944  498.934629   6.92 0.143 0.667 0.311 0.975     405.647     400.000       9.132   15 
+    110000       11000.00      44.711       1.262      45.972  547.650524   5.67 0.071 0.000 0.136 1.173     405.640     390.000       9.301   15 
+    120000       12000.00      35.210     -13.278      21.932  616.518011   6.01 0.143 0.333 0.591 0.461     319.445     390.000       8.142   15 
+    130000       13000.00      37.002       1.348      38.350  677.152567  12.19 0.000   NaN   NaN 1.212     335.698     390.000      15.472   15 
+    140000       14000.00      48.103      15.242      63.346  730.841743   8.41 0.071 0.667 0.182 0.991     436.419     390.000      11.614   15 
+    150000       15000.00      43.228      -0.042      43.186  772.681588  10.41 0.000   NaN   NaN 1.083     392.185     390.000      14.787   15 
+    160000       16000.00      43.310       2.986      46.296  787.572967   9.11 0.000 1.000 0.273 0.662     392.935     390.000      11.504   15 
+    170000       17000.00      43.014       1.888      44.902  817.887389   4.91 0.071 0.500 0.159 0.705     390.243     390.000       9.303   15 
+    180000       18000.00      39.242      -9.471      29.771  856.117851   5.30 0.143 0.500 0.420 1.334     356.023     390.000       8.288   15 
+    190000       19000.00      41.859      -7.979      33.880  928.474980   3.88 0.000 1.000 0.439 0.561     379.763     390.000       8.843   15 
+    200000       20000.00      50.305       0.927      51.232  986.852834   5.18 0.000 1.000 0.455 0.807     456.393     390.000       8.711   15 
+    210000       21000.00      38.827      -6.138      32.689  998.361882   4.81 0.071 0.857 0.578 0.698     352.262     380.000       8.191   15 
+    220000       22000.00      36.729      -6.799      29.931 1030.878773   5.22 0.071 0.500 0.318 0.981     333.228     380.000       9.560   15 
+    230000       23000.00      60.479     -11.449      49.029 1076.779923  11.99 0.000   NaN   NaN 1.315     548.694     380.000      15.308   15 
+    240000       24000.00      34.450       1.076      35.526 1094.715369   9.53 0.000   NaN   NaN 0.910     312.550     380.000      12.353   15 
+    250000       25000.00      41.123      -7.156      33.967 1115.883123   5.69 0.143 0.714 0.409 0.954     373.089     380.000       7.341   15 
+    260000       26000.00      45.343     -18.055      27.288 1191.987530   4.67 0.357 0.375 0.420 1.131     411.377     380.000       8.342   15 
+    270000       27000.00      38.280     -24.681      13.599 1223.612118   5.50 0.214 0.400 0.218 0.356     347.294     380.000       8.105   15 
+    280000       28000.00      38.963     -10.854      28.109 1250.334445   6.35 0.214 0.667 0.364 0.427     353.493     380.000       7.827   15 
+    290000       29000.00      43.017     -14.204      28.813 1296.037348   5.39 0.071 0.667 0.197 0.743     390.270     380.000       8.136   15 
+    300000       30000.00      48.033       4.095      52.129 1327.816132   5.50 0.071 0.667 0.727 0.739     435.784     380.000       8.038   15 
+    310000       31000.00      48.553     -10.762      37.791 1345.838508   5.88 0.000 1.000 0.432 1.039     440.499     380.000       7.095   15 
+    320000       32000.00      42.018      -7.204      34.814 1372.888757   5.70 0.071 0.833 0.402 0.844     381.205     380.000       8.062   15 
+    330000       33000.00      45.060     -21.489      23.570 1438.210649   5.35 0.143 0.714 0.383 0.897     408.805     380.000       7.488   15 
+    340000       34000.00      41.391      -5.251      36.140 1511.847698   6.02 0.000 1.000 0.409 0.726     375.517     380.000       9.626   15 
+    350000       35000.00      45.861      -3.078      42.783 1521.991068   9.16 0.071 0.000 0.136 0.664     416.072     380.000      13.024   15 
+    360000       36000.00      48.327     -12.046      36.281 1533.078074   7.81 0.000 1.000 0.227 0.553     438.446     380.000      10.168   15 
+    370000       37000.00      31.292      -3.162      28.130 1607.305864   7.16 0.000 1.000 0.523 2.307     283.902     380.000       7.336   15 
+    380000       38000.00      52.631      -3.063      49.568 1650.787161   7.69 0.071 0.667 0.197 1.671     477.496     380.000      11.017   15 
+    390000       39000.00      36.481      -1.302      35.179 1745.929115   9.58 0.000 1.000 0.136 1.208     330.974     380.000      12.729   15 
+    400000       40000.00      48.791      -3.587      45.204 1809.141992   7.79 0.071 0.000 0.136 0.776     442.657     380.000      11.918   15 
+    410000       41000.00      46.485      -4.512      41.972 1864.851067   6.21 0.071 0.500 0.159 0.540     421.733     370.000      10.298   15 
+    420000       42000.00      49.074      -8.833      40.240 1922.620563   4.34 0.143 0.600 0.373 0.594     445.220     370.000       7.268   15 
+    430000       43000.00      45.480      -3.120      42.360 1979.752468   8.39 0.000   NaN   NaN 0.869     412.619     370.000      13.209   15 
+    440000       44000.00      46.753     -11.461      35.292 2019.060112   7.13 0.071 0.500 0.273 0.506     424.166     370.000       8.589   15 
+    450000       45000.00      40.825     -13.729      27.096 2052.782820   6.90 0.071 0.667 0.167 0.547     370.383     370.000      10.583   15 
+    460000       46000.00      36.209      -6.804      29.405 2072.005805   7.30 0.143 0.500 0.182 0.323     328.505     370.000      11.178   15 
+    470000       47000.00      41.088      -6.981      34.108 2123.780575   8.52 0.071 0.000 0.136 0.346     372.774     370.000      12.964   15 
+    480000       48000.00      41.852      -3.654      38.198 2150.414089   5.91 0.071 0.000 0.136 0.769     379.700     370.000      10.111   15 
+    490000       49000.00      27.691     -11.394      16.297 2187.100162   5.39 0.071 0.667 0.333 1.049     251.228     370.000       9.590   15 
+    500000       50000.00      41.835     -14.490      27.344 2220.853596   5.86 0.071 0.750 0.364 0.676     379.548     370.000       9.010   15 
+    510000       51000.00      42.160     -21.321      20.839 2169.051525   3.55 0.286 0.500 0.403 0.886     382.499     360.000       7.302   15 
+    520000       52000.00      34.133     -19.683      14.451 2186.481787   4.91 0.214 0.700 0.427 0.332     309.674     360.000       7.644   15 
+    530000       53000.00      44.160     -13.152      31.008 2208.474770   3.96 0.143 0.500 0.239 1.052     400.639     360.000       8.287   15 
+    540000       54000.00      42.880     -25.752      17.128 2225.777051   4.20 0.143 0.750 0.358 0.926     389.030     360.000       8.245   15 
+    550000       55000.00      53.997     -22.352      31.646 2235.533470   5.50 0.286 0.667 0.326 0.917     489.893     360.000       7.015   15 
+    560000       56000.00      30.153      -9.712      20.441 2273.793749   6.22 0.143 0.500 0.159 1.166     273.565     360.000       9.799   15 
+    570000       57000.00      43.020     -10.593      32.427 2347.480932   4.85 0.143 0.600 0.491 0.751     390.299     360.000       8.741   15 
+    580000       58000.00      37.890     -13.419      24.471 2413.941199   6.48 0.071 0.667 0.318 1.402     343.754     360.000       7.712   15 
+    590000       59000.00      46.536     -16.248      30.288 2458.250308   5.65 0.071 0.833 0.212 0.702     422.198     360.000       7.411   15 
+    600000       60000.00      35.910     -11.331      24.579 2512.767868   5.94 0.071 0.900 0.336 0.905     325.794     360.000       7.181   15 
+    610000       61000.00      29.806     -16.631      13.175 2476.898458   6.91 0.143 0.714 0.208 0.866     270.418     350.000       8.078   15 
+    620000       62000.00      40.302     -12.902      27.400 2504.577866   6.39 0.071 0.667 0.197 0.764     365.641     350.000       7.992   15 
+    630000       63000.00      49.347     -34.001      15.346 2518.582214   5.18 0.286 0.500 0.364 0.728     447.700     350.000       6.827   15 
+    640000       64000.00      30.007     -12.811      17.196 2529.316361   5.42 0.143 0.600 0.291 0.734     272.239     350.000       7.947   15 
+    650000       65000.00      34.972     -18.973      15.999 2558.744403   6.51 0.071 0.833 0.303 1.062     317.281     350.000       8.878   15 
+    660000       66000.00      40.502     -21.436      19.066 2593.013643   4.21 0.214 0.700 0.427 0.373     367.454     350.000       8.216   15 
+    670000       67000.00      48.044     -18.872      29.172 2631.082416   4.47 0.286 0.556 0.455 1.126     435.880     350.000       7.727   15 
+    680000       68000.00      33.721     -24.450       9.271 2641.878347   4.25 0.143 0.600 0.373 0.546     305.931     350.000       7.247   15 
+    690000       69000.00      37.836     -14.864      22.971 2673.033284   5.22 0.071 0.667 0.212 0.627     343.265     350.000       7.829   15 
+    700000       70000.00      48.948     -22.982      25.966 2695.497080   4.93 0.143 0.714 0.351 1.547     444.077     350.000       7.281   15 
+    710000       71000.00      42.663     -15.726      26.937 2624.822087   6.78 0.071 0.750 0.205 1.090     387.062     340.000       9.758   15 
+    720000       72000.00      37.360      -8.342      29.017 2643.482215   7.01 0.071 0.000 0.182 0.479     338.947     340.000      11.509   15 
+    730000       73000.00      39.265     -16.412      22.853 2657.805873   7.07 0.071 0.500 0.205 0.787     356.232     340.000      10.418   15 
+    740000       74000.00      35.352     -12.204      23.148 2723.879231   7.87 0.143 0.000 0.159 0.967     320.734     340.000      10.883   15 
+    750000       75000.00      49.444     -18.900      30.544 2756.586518   5.78 0.071 0.857 0.273 0.768     448.578     340.000       9.344   15 
+    760000       76000.00      36.203     -13.928      22.275 2777.250890  10.67 0.143 0.000 0.159 0.719     328.456     340.000      13.875   15 
+    770000       77000.00      39.808     -23.853      15.955 2813.381336   4.58 0.214 0.571 0.234 0.518     361.158     340.000       7.719   15 
+    780000       78000.00      42.291     -33.707       8.584 2822.798112   4.45 0.143 0.750 0.426 0.911     383.686     340.000       8.344   15 
+    790000       79000.00      40.880     -15.407      25.474 2867.284307   6.12 0.071 0.500 0.205 1.399     370.887     340.000       8.930   15 
+    800000       80000.00      37.467     -13.617      23.850 2884.581127   6.62 0.000 1.000 0.318 0.638     339.924     340.000       9.840   15 
+    810000       81000.00      44.644     -13.761      30.883 3191.187517   9.06 0.000   NaN   NaN 0.778     405.034     370.000      13.368   15 
+    820000       82000.00      41.827     -13.954      27.873 3232.242968  10.05 0.143 0.333 0.152 0.406     379.477     370.000      13.033   15 
+    830000       83000.00      40.543      -9.918      30.625 3252.083443   6.79 0.143 0.333 0.167 1.617     367.826     370.000      10.232   15 
+    840000       84000.00      35.475      -3.874      31.601 3284.574462   5.66 0.000 1.000 0.409 0.572     321.850     370.000       8.980   15 
+    850000       85000.00      39.131      -5.299      33.832 3314.161717   4.80 0.000   NaN   NaN 0.669     355.016     370.000       9.734   15 
+    860000       86000.00      51.361     -11.957      39.404 3359.803204  11.65 0.000 1.000 0.136 0.557     465.971     370.000      14.965   15 
+    870000       87000.00      42.657     -13.616      29.042 3402.329234   6.28 0.143 0.667 0.258 0.859     387.009     370.000       7.349   15 
+    880000       88000.00      53.159     -23.129      30.030 3440.315487   3.67 0.000 1.000 0.409 1.205     482.287     370.000       8.451   15 
+    890000       89000.00      43.329     -18.319      25.009 3476.877651   4.93 0.143 0.714 0.195 1.031     393.100     370.000       8.663   15 
+    900000       90000.00      41.321     -12.635      28.685 3553.756848   4.90 0.071 0.000 0.136 0.627     374.881     370.000       8.784   15 
+    910000       91000.00      37.893       0.215      38.109 3904.130507  10.85 0.000   NaN   NaN 1.188     343.789     400.000      14.141   15 
+    920000       92000.00      39.101       0.546      39.647 3966.024093   8.59 0.000   NaN   NaN 1.025     354.741     400.000      12.611   15 
+    930000       93000.00      44.032       4.557      48.589 4105.957928  12.04 0.143 0.000 0.159 0.938     399.481     400.000      14.869   15 
+    940000       94000.00      48.774      -4.645      44.129 4246.468122  13.39 0.000   NaN   NaN 0.459     442.503     400.000      17.090   15 
+    950000       95000.00      40.918     -11.199      29.719 4271.296798   5.38 0.071 0.500 0.205 0.552     371.230     400.000       9.076   15 
+    960000       96000.00      40.098      -5.534      34.564 4331.538033   8.78 0.000   NaN   NaN 0.960     363.791     400.000      12.870   15 
+    970000       97000.00      41.434      -1.001      40.433 4391.509160   7.39 0.000 1.000 0.182 0.999     375.911     400.000      12.147   15 
+    980000       98000.00      42.053      -5.169      36.885 4438.626260   5.91 0.000 1.000 0.182 1.149     381.531     400.000      10.286   15 
+    990000       99000.00      41.636      -0.251      41.385 4479.892779   6.70 0.143 0.000 0.159 0.592     377.741     400.000      10.385   15 
+   1000000      100000.00      49.012     -19.636      29.376 4522.023684   5.67 0.143 0.714 0.396 0.790     444.665     400.000       7.670   15 
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_MD000.cx b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_MD000.cx
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diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_mremd.rst b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_mremd.rst
index 49d4443188a3422e2324c8d0aa868b0a5fed1b70..d5b0173cff34bc51f4c219364cf1b30f152e144d 100644
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diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/fort.2 b/examples/unres/new/REMD/Nose-Hoover/ff_gab/fort.2
index 77adb7e..2a476fe 100644
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/fort.2
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/fort.2
@@ -3,274 +3,244 @@ Mol.Phys. 87 1117 (1996) Martyna et al.
 NVT-XI-RESPA algorithm
                                                 Temperature: 300.00000
                                                          Q =   1.00000
- H0=    108.655845576103     
- acceleration/energy drift too large   11.9998781052206     
-   13.1003840709383       split increased to            2  itime      117525 
+ H0=    146.016207180849     
+ acceleration/energy drift too large   10.4474823952748     
+   13.7185899653044       split increased to            2  itime      479029 
   itsplit           1
- acceleration/energy drift too large   6.10895221664829     
-   10.5080994878034       split increased to            2  itime      251171 
+ acceleration/energy drift too large   10.0838908445385     
+   12.2081129546542       split increased to            2  itime      646904 
   itsplit           1
- acceleration/energy drift too large   9.96713611357368     
-   10.7278444342403       split increased to            2  itime      711463 
+ acceleration/energy drift too large   9.80764455252755     
+   11.4190657483492       split increased to            2  itime      661628 
   itsplit           1
- acceleration/energy drift too large   10.0064806658085     
-   11.9705403764126       split increased to            2  itime      750484 
+ acceleration/energy drift too large   8.38400743034376     
+   10.2755232741894       split increased to            2  itime      671315 
   itsplit           1
- acceleration/energy drift too large   8.99709664674769     
-   10.3503067228688       split increased to            2  itime      618354 
+ acceleration/energy drift too large   9.07834943093149     
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   itsplit           1
- acceleration/energy drift too large   7.05192302535523     
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   itsplit           1
- acceleration/energy drift too large   11.3825577834735     
-   12.7932769560824       split increased to            2  itime      827332 
+ acceleration/energy drift too large   11.3575819375894     
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   itsplit           1
- acceleration/energy drift too large   9.24417443593958     
-   10.5373530223862       split increased to            2  itime      908347 
+ acceleration/energy drift too large   8.99734226275541     
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   itsplit           1
- acceleration/energy drift too large   10.4927287801629     
-   12.9024044257076       split increased to            2  itime      934310 
+ acceleration/energy drift too large   7.19126369265817     
+   18.8964081601177       split increased to            2  itime      581846 
   itsplit           1
- acceleration/energy drift too large   8.47590525765201     
-   10.5662516433962       split increased to            2  itime      997780 
+ acceleration/energy drift too large   12.1643246330128     
+   13.9036523759266       split increased to            2  itime      620500 
   itsplit           1
- acceleration/energy drift too large   13.3340168780839     
-   13.7718168858320       split increased to            2  itime      865544 
+ acceleration/energy drift too large   16.6476884800482     
+   24.8020219762849       split increased to            2  itime      683729 
   itsplit           1
- acceleration/energy drift too large   5.91236217223106     
-   11.2871075189086       split increased to            2  itime      919942 
+ acceleration/energy drift too large   14.0028672783607     
+   14.7576429434212       split increased to            2  itime      717208 
   itsplit           1
- acceleration/energy drift too large   10.2604515836813     
-   9.83338952676769       split increased to            2  itime      673281 
+ acceleration/energy drift too large   15.6159329535257     
+   22.1751951700777       split increased to            2  itime      757550 
   itsplit           1
- acceleration/energy drift too large   11.2951415497763     
-   8.58440667639174       split increased to            2  itime      686349 
+ acceleration/energy drift too large   13.2876296609883     
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   itsplit           1
- acceleration/energy drift too large   10.9403819228949     
-   17.6211071911718       split increased to            2  itime      700054 
+ acceleration/energy drift too large   11.6443819324130     
+   13.0734801444184       split increased to            2  itime      855501 
   itsplit           1
- acceleration/energy drift too large   5.56969022277486     
-   12.1324622199339       split increased to            2  itime      765558 
+ acceleration/energy drift too large   6.43821015262811     
+   10.0473948238442       split increased to            2  itime      934300 
   itsplit           1
- acceleration/energy drift too large   12.0489275960967     
-   19.1443168681847       split increased to            2  itime      774614 
+ acceleration/energy drift too large   13.2043551429437     
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   itsplit           1
- acceleration/energy drift too large   10.1416363159730     
-   11.3971781731848       split increased to            2  itime      788425 
+ acceleration/energy drift too large   15.9850982990572     
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   itsplit           1
- acceleration/energy drift too large   12.2328153425136     
-   14.7678598199712       split increased to            2  itime      854471 
+ acceleration/energy drift too large   6.14680597161888     
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   itsplit           1
- acceleration/energy drift too large   12.6388501075801     
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+ acceleration/energy drift too large   9.33736541306102     
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   itsplit           1
- acceleration/energy drift too large   14.2000569855572     
-   22.6210807474007       split increased to            2  itime      734764 
+ acceleration/energy drift too large   11.0607224694794     
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   itsplit           1
- acceleration/energy drift too large   9.84699537562064     
-   24.6138801627725       split increased to            2  itime      740862 
+ acceleration/energy drift too large   11.6189292087344     
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   itsplit           1
- acceleration/energy drift too large   7.68062983718713     
-   10.3543239948451       split increased to            2  itime      751380 
+ acceleration/energy drift too large   14.0810192159906     
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   itsplit           1
- acceleration/energy drift too large   12.1139480684704     
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+ acceleration/energy drift too large   12.3284804673517     
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   itsplit           1
- acceleration/energy drift too large   10.5477410784867     
-   11.9971543050139       split increased to            2  itime      777393 
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   itsplit           1
- acceleration/energy drift too large   27.2384959154701     
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+ acceleration/energy drift too large   10.8708125328600     
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   itsplit           1
- acceleration/energy drift too large   6.61918996909648     
-   10.4092834345698       split increased to            2  itime      785672 
+ acceleration/energy drift too large   10.5963506583048     
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   itsplit           1
- acceleration/energy drift too large   10.6753281890232     
-   13.9576826962118       split increased to            2  itime      822262 
+ acceleration/energy drift too large   13.3216458457687     
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   itsplit           1
- acceleration/energy drift too large   12.0642948357035     
-   22.1133729111769       split increased to            2  itime      852877 
+ acceleration/energy drift too large   25.8684109125810     
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   itsplit           1
- acceleration/energy drift too large   11.5033475417987     
-   12.4317510802736       split increased to            2  itime      856043 
+ acceleration/energy drift too large   14.1375362351339     
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   itsplit           1
- acceleration/energy drift too large   11.0353809042148     
-   11.9488021003724       split increased to            2  itime      860903 
+ acceleration/energy drift too large   5.70047603606416     
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   itsplit           1
- acceleration/energy drift too large   11.0071558909439     
-   11.3212852859065       split increased to            2  itime      896265 
+ acceleration/energy drift too large   11.7154337294531     
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   itsplit           1
- acceleration/energy drift too large   9.48098880647470     
-   11.1328804706735       split increased to            2  itime      962554 
+ acceleration/energy drift too large   14.1078294084717     
+   16.0759860779535       split increased to            2  itime      663062 
   itsplit           1
- acceleration/energy drift too large   20.8835403293376     
-   40.5128468563947       split increased to            2  itime      873421 
+ acceleration/energy drift too large   9.44750545589540     
+   13.4124482887411       split increased to            2  itime      679707 
   itsplit           1
- acceleration/energy drift too large   8.51173776450411     
-   10.1410776353290       split increased to            2  itime      892042 
+ acceleration/energy drift too large   9.77454169928706     
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   itsplit           1
- acceleration/energy drift too large   10.1278894087521     
-   9.93175597734157       split increased to            2  itime      907490 
+ acceleration/energy drift too large   21.1252382570723     
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   itsplit           1
- acceleration/energy drift too large   7.00737144646961     
-   13.9215477299559       split increased to            2  itime      921397 
+ acceleration/energy drift too large   7.34398142700942     
+   11.3835828293925       split increased to            2  itime      703957 
   itsplit           1
- acceleration/energy drift too large   14.6085004363814     
-   21.3133353698604       split increased to            2  itime      923315 
+ acceleration/energy drift too large   13.7556155356365     
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   itsplit           1
- acceleration/energy drift too large   13.6475120748507     
-   15.6873145569907       split increased to            2  itime      940994 
+ acceleration/energy drift too large   10.5724342406466     
+   13.6013865205178       split increased to            2  itime      705528 
   itsplit           1
- acceleration/energy drift too large   8.40951511955094     
-   20.3671104384497       split increased to            2  itime      943080 
+ acceleration/energy drift too large   12.5996450434682     
+   16.3220512614375       split increased to            2  itime      720220 
   itsplit           1
- acceleration/energy drift too large   16.1150972151442     
-   25.6358390066988       split increased to            2  itime      954819 
+ acceleration/energy drift too large   9.51272369450176     
+   13.5150720918082       split increased to            2  itime      858152 
   itsplit           1
- acceleration/energy drift too large   8.86159171398580     
-   24.0389934891672       split increased to            2  itime      975779 
+ acceleration/energy drift too large   9.72679427808291     
+   12.2957157577816       split increased to            2  itime      882947 
   itsplit           1
- acceleration/energy drift too large   6.25012078065036     
-   11.4821146337285       split increased to            2  itime      997501 
+ acceleration/energy drift too large   13.5710660568682     
+   14.6814545066447       split increased to            2  itime      902305 
   itsplit           1
- acceleration/energy drift too large   8.02975373804776     
-   13.9058128247899       split increased to            2  itime      954134 
+ acceleration/energy drift too large   11.3203577801118     
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   itsplit           1
- acceleration/energy drift too large   11.6823427692266     
-   15.0021476676271       split increased to            2  itime      997822 
+ acceleration/energy drift too large   10.1915592779584     
+   11.9697890533074       split increased to            2  itime      965203 
   itsplit           1
- acceleration/energy drift too large   5.99463606249681     
-   13.3435014341549       split increased to            2  itime      941262 
+ acceleration/energy drift too large   11.4139906777648     
+   12.8266257785600       split increased to            2  itime      987887 
   itsplit           1
- acceleration/energy drift too large   10.9234327457148     
-   9.18498209345477       split increased to            2  itime      933900 
+ acceleration/energy drift too large   10.1215024687959     
+   11.3439420857059       split increased to            2  itime      988588 
   itsplit           1
- acceleration/energy drift too large   10.7014989944187     
-   12.5835139063996       split increased to            2  itime      937608 
+ acceleration/energy drift too large   6.40534837074609     
+   11.8289285098342       split increased to            2  itime      993303 
   itsplit           1
- acceleration/energy drift too large   10.7454416256838     
-   14.8313435513320       split increased to            2  itime      946869 
+ acceleration/energy drift too large   12.5318608340117     
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   itsplit           1
- acceleration/energy drift too large   22.1822170725631     
-   137.330940374216       split increased to            2  itime      964575 
+ acceleration/energy drift too large   10.7702626974841     
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   itsplit           1
- acceleration/energy drift too large   4.37861831416973     
-   21.3433996240882       split increased to            4  itime      964575 
-  itsplit           2
- acceleration/energy drift too large   18.1913679923198     
-   24.9200224326050       split increased to            2  itime      978623 
+ acceleration/energy drift too large   11.8318368899338     
+   18.2887856049860       split increased to            2  itime      887090 
   itsplit           1
- acceleration/energy drift too large   16.0541253269189     
-   29.5111750547580       split increased to            2  itime      980907 
+ acceleration/energy drift too large   13.5782746275625     
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   itsplit           1
- acceleration/energy drift too large   9.30371895806360     
-   11.0365005283431       split increased to            2  itime      747826 
+ acceleration/energy drift too large   10.5937826281636     
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   itsplit           1
- acceleration/energy drift too large   15.3779228047827     
-   20.4096823009969       split increased to            2  itime      757063 
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   itsplit           1
- acceleration/energy drift too large   10.8781774579559     
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   itsplit           1
- acceleration/energy drift too large   11.6992456838481     
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+ acceleration/energy drift too large   8.91742591449242     
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   itsplit           1
- acceleration/energy drift too large   9.01720674822129     
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+ acceleration/energy drift too large   10.5301129572376     
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   itsplit           1
- acceleration/energy drift too large   7.04772523200129     
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   itsplit           1
- acceleration/energy drift too large   8.45804506998435     
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+ acceleration/energy drift too large   6.83526781112601     
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   itsplit           1
- acceleration/energy drift too large   9.25063636378668     
-   11.2204076975425       split increased to            2  itime      836780 
+ acceleration/energy drift too large   15.4248669302037     
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   itsplit           1
- acceleration/energy drift too large   11.2975589401226     
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+ acceleration/energy drift too large   14.5504999773637     
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   itsplit           1
- acceleration/energy drift too large   16.2496316757962     
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+ acceleration/energy drift too large   9.73465458464157     
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   itsplit           1
- acceleration/energy drift too large   11.5766560437504     
-   39.7920334155238       split increased to            2  itime      852432 
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   itsplit           1
- acceleration/energy drift too large   9.37271717298446     
-   26.1698571413672       split increased to            2  itime      855509 
+ acceleration/energy drift too large   5.92521390460634     
+   11.6716885606083       split increased to            2  itime      998072 
   itsplit           1
- acceleration/energy drift too large   15.6376649134830     
-   20.2114742212021       split increased to            2  itime      904014 
+ acceleration/energy drift too large   10.6802573090439     
+   16.2924264500361       split increased to            2  itime      987735 
   itsplit           1
- acceleration/energy drift too large   5.26082427010231     
-   10.3239542053421       split increased to            2  itime      909995 
+ acceleration/energy drift too large   8.17481710226301     
+   10.8759308607862       split increased to            2  itime      988606 
   itsplit           1
- acceleration/energy drift too large   14.1255514203856     
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+ acceleration/energy drift too large   9.82020966622212     
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   itsplit           1
- acceleration/energy drift too large   18.8024013139991     
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+ acceleration/energy drift too large   12.4557123052432     
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   itsplit           1
- acceleration/energy drift too large   10.7270160917479     
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+ acceleration/energy drift too large   9.77048320605013     
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   itsplit           1
- acceleration/energy drift too large   10.0311518899159     
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   itsplit           1
- acceleration/energy drift too large   10.0967983833338     
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+ acceleration/energy drift too large   10.1308929674323     
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   itsplit           1
- acceleration/energy drift too large   11.2561924949802     
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+ acceleration/energy drift too large   12.7809612412840     
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   itsplit           1
- acceleration/energy drift too large   12.2423400800582     
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   itsplit           1
- acceleration/energy drift too large   13.0715562116816     
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+ acceleration/energy drift too large   9.93183128963256     
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   itsplit           1
- acceleration/energy drift too large   10.0483757105287     
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+ acceleration/energy drift too large   17.9023746026882     
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   itsplit           1
- acceleration/energy drift too large   9.32712471237710     
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+ acceleration/energy drift too large   11.8039428143911     
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   itsplit           1
- acceleration/energy drift too large   10.1977792792089     
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+ acceleration/energy drift too large   20.0065463758034     
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   itsplit           1
- acceleration/energy drift too large   10.2529474651543     
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   itsplit           1
- acceleration/energy drift too large   11.9583881234370     
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+ acceleration/energy drift too large   7.15796134750659     
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   itsplit           1
- acceleration/energy drift too large   10.5750450935503     
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-  itsplit           1
- acceleration/energy drift too large   9.43331950844432     
-   10.7495477232566       split increased to            2  itime      900692 
-  itsplit           1
- acceleration/energy drift too large   12.9958201868411     
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-  itsplit           1
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-  itsplit           1
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-   18.1985087779943       split increased to            2  itime      927023 
-  itsplit           1
- acceleration/energy drift too large   11.1136048227353     
-   18.3627371760905       split increased to            2  itime      947128 
-  itsplit           1
- acceleration/energy drift too large   7.27218003503828     
-   16.7281461930931       split increased to            2  itime      957198 
-  itsplit           1
- acceleration/energy drift too large   6.18125683111113     
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-  itsplit           1
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-  itsplit           1
- acceleration/energy drift too large   6.64625816624767     
-   10.3515059308238       split increased to            2  itime      992614 
+ acceleration/energy drift too large   12.8124825327680     
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   itsplit           1
diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/unres.csh b/examples/unres/new/REMD/Nose-Hoover/ff_gab/unres.csh
index 34235c8..bf4dafe 100755
--- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/unres.csh
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/unres.csh
@@ -4,10 +4,10 @@ setenv POT GB
 setenv PREFIX 1L2Y_REMD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv UNRES_ROOT /users/adam/unres/
-setenv DD $UNRES_ROOT/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
 setenv ROTPAR $DD/scgauss.parm
@@ -16,7 +16,8 @@ setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm
 setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-setenv SCCORPAR $DD/rotcorr_AM1.parm
+#setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
 #-----------------------------------------------------------------------------
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD.out_GB000
index 3dad23a..9a8c3f1 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD.out_GB000
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD.out_GB000
@@ -5,33 +5,33 @@
  Output file                     : 1L2Y_REMD.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 298
- compiled Thu Jul  5 05:49:13 2012
+ Version 2.5 build 303
+ compiled Mon Jul 23 17:44:56 2012
  compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
@@ -448,7 +448,7 @@ Replica exchange molecular dynamics (REMD) calculation.
 
  Calling chainbuild
  Calling REMD
- MREMD          16 time before  1.953125000000000E-002
+ MREMD          16 time before  5.078125000000000E-002
  NREP=          16
  i2rep      1      2      3      4      5      6      7      8      9     10
      11     12     13     14     15     16
@@ -603,7 +603,7 @@ Initial:
 
     maximum acceleration    1.97137E+00
 
- Setup time  2.343750000000000E-002
+ Setup time  5.468750000000000E-002
 Velocities reset to random values, time             1999.80
 Velocities reset to random values, time             3999.80
 Velocities reset to random values, time             5999.80
@@ -617,7 +617,7 @@ Velocities reset to random values, time            19999.80
  REMD synchro at      100000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   41.4960937500000       0.000000000000000E+000
+ REMD gather times=   40.8046875000000       3.906250000000000E-003
  REMD writing rst time=  0.000000000000000E+000
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
@@ -637,7 +637,7 @@ ACC  13   370.00000     0.00000    1
 ACC  14   380.00000     1.00000    1
 ACC  15   390.00000     1.00000    1
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time            21999.80
 Velocities reset to random values, time            23999.80
 Velocities reset to random values, time            25999.80
@@ -651,7 +651,7 @@ Velocities reset to random values, time            39999.80
  REMD synchro at      200000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   82.4726562500000       0.000000000000000E+000
+ REMD gather times=   81.6015625000000       0.000000000000000E+000
  REMD writing rst time=  0.000000000000000E+000
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
@@ -685,8 +685,8 @@ Velocities reset to random values, time            59999.80
  REMD synchro at      300000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   123.109375000000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
+ REMD gather times=   122.531250000000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.33333    3
@@ -705,7 +705,7 @@ ACC  13   370.00000     0.66667    3
 ACC  14   380.00000     1.00000    3
 ACC  15   390.00000     1.00000    3
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time            61999.80
 Velocities reset to random values, time            63999.80
 Velocities reset to random values, time            65999.80
@@ -719,9 +719,9 @@ Velocities reset to random values, time            79999.80
  REMD synchro at      400000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   163.765625000000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
+ REMD gather times=   163.546875000000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.50000    4
 ACC   2   260.00000     0.25000    4
@@ -753,9 +753,9 @@ Velocities reset to random values, time            99999.80
  REMD synchro at      500000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   205.664062500000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD gather times=   204.277343750000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.40000    5
 ACC   2   260.00000     0.40000    5
@@ -787,8 +787,8 @@ Velocities reset to random values, time           119999.80
  REMD synchro at      600000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   249.929687500000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
+ REMD gather times=   245.050781250000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.33333    6
@@ -807,7 +807,7 @@ ACC  13   370.00000     0.66667    6
 ACC  14   380.00000     1.00000    6
 ACC  15   390.00000     1.00000    6
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time           121999.80
 Velocities reset to random values, time           123999.80
 Velocities reset to random values, time           125999.80
@@ -821,9 +821,9 @@ Velocities reset to random values, time           139999.80
  REMD synchro at      700000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   292.972656250000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD gather times=   287.152343750000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  7.812500000000000E-003
  NREP          16
 ACC   1   250.00000     0.28571    7
 ACC   2   260.00000     0.57143    7
@@ -841,7 +841,7 @@ ACC  13   370.00000     0.57143    7
 ACC  14   380.00000     1.00000    7
 ACC  15   390.00000     0.85714    7
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time           141999.80
 Velocities reset to random values, time           143999.80
 Velocities reset to random values, time           145999.80
@@ -855,9 +855,9 @@ Velocities reset to random values, time           159999.80
  REMD synchro at      800000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   334.093750000000       0.000000000000000E+000
+ REMD gather times=   328.453125000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
 ACC   1   250.00000     0.25000    8
 ACC   2   260.00000     0.50000    8
@@ -875,7 +875,7 @@ ACC  13   370.00000     0.62500    8
 ACC  14   380.00000     0.87500    8
 ACC  15   390.00000     0.87500    8
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
+ REMD exchange time=  7.812500000000000E-003
 Velocities reset to random values, time           161999.80
 Velocities reset to random values, time           163999.80
 Velocities reset to random values, time           165999.80
@@ -889,9 +889,9 @@ Velocities reset to random values, time           179999.80
  REMD synchro at      900000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   374.773437500000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
+ REMD gather times=   369.187500000000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.33333    9
 ACC   2   260.00000     0.44444    9
@@ -929,12 +929,12 @@ Velocities reset to random values, time           199999.80
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.81582E+02
+           Energy & gradient evaluation:    3.76590E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.15750E+02
+                               MD steps:    4.10020E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   415.773437500000       sec
+ Total wall clock time   410.074218750000       sec
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/unres.csh b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/unres.csh
index 822da15..c8394f9 100755
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/unres.csh
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.out_GB000
index c4f2771..64da38b 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.out_GB000
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.out_GB000
@@ -5,35 +5,41 @@
  Output file                     : 1L2Y_REMD.out_GB000
  
  Sidechain potential file        : 
- /users/adam/unres//PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
- SCp potential file              : /users/adam/unres//PARAM/scp.parm
- Electrostatic potential file    : /users/adam/unres//PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ p8g-sc
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/adam/unres//PARAM/fourier_opt.parm.1igd_hc_iter3_3
- Torsional parameter file        : /users/adam/unres//PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/adam/unres//PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/adam/unres//PARAM/rotcorr_AM1.parm
- Bond & inertia constant file    : /users/adam/unres//PARAM/bond.parm
- Bending parameter file          : /users/adam/unres//PARAM/thetaml.5parm
- Rotamer parameter file          : /users/adam/unres//PARAM/scgauss.parm
- Threading database              : /users/adam/unres//PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 62
- compiled Sun May 13 16:07:22 2012
- compiled by adam@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
  OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
  flags:
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
  FC= ifort
- OPT =  -O3 -ip -w 
+ OPT =  -g -ip -w -CB 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
  FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
  FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
@@ -509,7 +515,7 @@ ndowna  16:  15
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
-  2.715579995864751E-017 -7.248352620541251E-018  6.125368411725001E-019
+  2.021371575869251E-017 -1.735521049988750E-018  1.041312629993250E-017
 
 
               alpha-carbon coordinates            centroid coordinates
@@ -596,3173 +602,2936 @@ Initial:
     maximum acceleration    8.66515E+00
 
  Setup time  1.562500000000000E-002
- acceleration/energy drift too large   2.45063594146020     
-   30.2648668362770       split increased to            2  itime           1 
+ acceleration/energy drift too large   2.45063868111105     
+   30.2648668372355       split increased to            2  itime           1 
   itsplit           1
- acceleration/energy drift too large   3.55123039307981     
-   23.1893576707994       split increased to            2  itime           2 
+ acceleration/energy drift too large   3.55123086946814     
+   23.1893572991053       split increased to            2  itime           2 
   itsplit           1
- acceleration/energy drift too large   2.68872839165869     
-   16.4661193949381       split increased to            2  itime           4 
+ acceleration/energy drift too large   2.68873026783936     
+   16.4661189396637       split increased to            2  itime           4 
   itsplit           1
- acceleration/energy drift too large   4.36235958005115     
-   20.2655532943208       split increased to            2  itime           5 
+ acceleration/energy drift too large   4.36238477567221     
+   20.2653490183299       split increased to            2  itime           5 
   itsplit           1
- acceleration/energy drift too large   4.44785581685517     
-   12.4814465819731       split increased to            2  itime           6 
+ acceleration/energy drift too large   4.44786409431292     
+   12.4814953131462       split increased to            2  itime           6 
   itsplit           1
- acceleration/energy drift too large   1.45930770657716     
-   11.9792814219840       split increased to            2  itime           7 
+ acceleration/energy drift too large   1.45929231910999     
+   11.9792186726349       split increased to            2  itime           7 
   itsplit           1
- acceleration/energy drift too large   4.78645908039624     
-   35.1580337534984       split increased to            2  itime          35 
+ acceleration/energy drift too large   4.78653363667580     
+   35.1543337895096       split increased to            2  itime          35 
   itsplit           1
- acceleration/energy drift too large   3.48903501812187     
-   12.3849779725604       split increased to            2  itime         124 
+ acceleration/energy drift too large   3.50012196420486     
+   12.4741865317294       split increased to            2  itime         124 
   itsplit           1
- acceleration/energy drift too large   6.17439974864359     
-   17.2441700127245       split increased to            2  itime         566 
+ acceleration/energy drift too large   9.06108385774411     
+   25.6307973455144       split increased to            2  itime        2598 
   itsplit           1
- acceleration/energy drift too large   4.26322798414598     
-   29.4227626386828       split increased to            2  itime        2792 
+ acceleration/energy drift too large   6.60515630890159     
+   14.9369548564452       split increased to            2  itime        4487 
   itsplit           1
- acceleration/energy drift too large   8.05709928894691     
-   24.8731000061786       split increased to            2  itime        4623 
+ acceleration/energy drift too large   5.38055900978436     
+   10.4195089905054       split increased to            2  itime        5834 
   itsplit           1
- acceleration/energy drift too large   5.70588580661174     
-   14.2962212933154       split increased to            2  itime        5558 
+ acceleration/energy drift too large   9.43465470992012     
+   33.6963124964030       split increased to            2  itime        5884 
   itsplit           1
- acceleration/energy drift too large   4.09195367467264     
-   11.2257975319880       split increased to            2  itime        5869 
+ acceleration/energy drift too large   2.07073606807758     
+   11.7590736205423       split increased to            2  itime        5885 
   itsplit           1
- acceleration/energy drift too large   5.25461982317649     
-   13.0196823581335       split increased to            2  itime        5895 
+ acceleration/energy drift too large   5.28720460296316     
+   12.2922645582407       split increased to            2  itime        5982 
   itsplit           1
- acceleration/energy drift too large   10.0539154656168     
-   44.2028744952343       split increased to            2  itime        6522 
+ acceleration/energy drift too large   8.48328247712591     
+   25.3495458139208       split increased to            2  itime        7356 
   itsplit           1
- acceleration/energy drift too large   2.31767808837236     
-   14.4399822900730       split increased to            2  itime        6716 
+ acceleration/energy drift too large   1.95483193831186     
+   14.0322567882780       split increased to            2  itime        8168 
   itsplit           1
- acceleration/energy drift too large   8.87425380930365     
-   29.0039656132960       split increased to            2  itime        7248 
+ acceleration/energy drift too large   8.63157648015814     
+   33.0046843882556       split increased to            2  itime        8458 
   itsplit           1
- acceleration/energy drift too large   4.73126490449482     
-   12.3493778645183       split increased to            2  itime        8844 
-  itsplit           1
- acceleration/energy drift too large   1.99102672286680     
-   10.5675100729127       split increased to            2  itime        9424 
+ acceleration/energy drift too large   2.90119145151716     
+   16.7487001590735       split increased to            2  itime        9138 
   itsplit           1
 Velocities reset to random values, time             1999.80
- acceleration/energy drift too large   4.58362335402096     
-   14.0172775562281       split increased to            2  itime       12666 
-  itsplit           1
- acceleration/energy drift too large   5.22844254784862     
-   15.3461489441536       split increased to            2  itime       12818 
-  itsplit           1
- acceleration/energy drift too large   1.82262990636730     
-   12.3151750113268       split increased to            2  itime       12993 
-  itsplit           1
- acceleration/energy drift too large   2.50057193656713     
-   10.1777126441363       split increased to            2  itime       13817 
+ acceleration/energy drift too large   6.58197301052028     
+   21.1744779154869       split increased to            2  itime       12352 
   itsplit           1
- acceleration/energy drift too large   5.26271775921505     
-   13.0205125069509       split increased to            2  itime       14385 
+ acceleration/energy drift too large   4.29237499274694     
+   12.0987383192629       split increased to            2  itime       12654 
   itsplit           1
- acceleration/energy drift too large   2.22331299564014     
-   10.6731577631261       split increased to            2  itime       14925 
+ acceleration/energy drift too large   4.54118346403319     
+   10.0596872771203       split increased to            2  itime       14754 
   itsplit           1
- acceleration/energy drift too large   5.38613189433752     
-   11.4953098178897       split increased to            2  itime       16357 
+ acceleration/energy drift too large   2.76981396010583     
+   19.1030491890046       split increased to            2  itime       16759 
   itsplit           1
- acceleration/energy drift too large   2.85334180367225     
-   10.4054852060492       split increased to            2  itime       16664 
+ acceleration/energy drift too large   9.26054798480306     
+   35.8965348642423       split increased to            2  itime       17217 
   itsplit           1
- acceleration/energy drift too large   4.77226631587378     
-   10.0166003786958       split increased to            2  itime       17641 
-  itsplit           1
- acceleration/energy drift too large   7.18486875744236     
-   24.0874762624312       split increased to            2  itime       19211 
+ acceleration/energy drift too large   6.78140644853100     
+   20.5180580916291       split increased to            2  itime       19191 
   itsplit           1
 Velocities reset to random values, time             3999.80
- acceleration/energy drift too large   2.76118247700938     
-   11.5869162485393       split increased to            2  itime       20936 
-  itsplit           1
- acceleration/energy drift too large   6.23363865746886     
-   18.6015383955209       split increased to            2  itime       21590 
-  itsplit           1
- acceleration/energy drift too large   1.41251545123335     
-   10.5129764012653       split increased to            2  itime       21591 
+ acceleration/energy drift too large   6.51928331143534     
+   13.1196487697521       split increased to            2  itime       20127 
   itsplit           1
- acceleration/energy drift too large   2.75471085348598     
-   14.9248626838873       split increased to            2  itime       22737 
+ acceleration/energy drift too large   4.14666449802368     
+   11.4147726951848       split increased to            2  itime       23140 
   itsplit           1
- acceleration/energy drift too large   5.91463319796109     
-   18.4245915940256       split increased to            2  itime       24745 
+ acceleration/energy drift too large   6.34224382667582     
+   15.8066625395075       split increased to            2  itime       25255 
   itsplit           1
- acceleration/energy drift too large   3.27156728461440     
-   21.3850594902965       split increased to            2  itime       26791 
-  itsplit           1
- acceleration/energy drift too large   3.54152246315015     
-   14.4878282886792       split increased to            2  itime       28182 
-  itsplit           1
- acceleration/energy drift too large   2.26961084867284     
-   12.9103232245608       split increased to            2  itime       29427 
+ acceleration/energy drift too large   5.55686756155190     
+   11.0570660474378       split increased to            2  itime       28027 
   itsplit           1
 Velocities reset to random values, time             5999.80
- acceleration/energy drift too large   7.71649850266347     
-   17.8073559837711       split increased to            2  itime       30049 
-  itsplit           1
- acceleration/energy drift too large   3.97968189913828     
-   13.7012383207568       split increased to            2  itime       30830 
+ acceleration/energy drift too large   4.55831049917581     
+   13.7891175233971       split increased to            2  itime       30473 
   itsplit           1
- acceleration/energy drift too large   3.73343848359344     
-   13.7916438116659       split increased to            2  itime       32655 
-  itsplit           1
- acceleration/energy drift too large   2.26663491113286     
-   13.0533158939566       split increased to            2  itime       32960 
-  itsplit           1
-Velocities reset to random values, time             7999.80
- acceleration/energy drift too large   10.2272478508141     
-   51.0620376502164       split increased to            2  itime       41735 
+ acceleration/energy drift too large   3.26682406678188     
+   25.8880588807659       split increased to            2  itime       31420 
   itsplit           1
- acceleration/energy drift too large   7.34189482327403     
-   24.6550896869989       split increased to            2  itime       42499 
+ acceleration/energy drift too large   5.10782334488223     
+   18.1980839007848       split increased to            2  itime       34647 
   itsplit           1
- acceleration/energy drift too large   3.38542570180131     
-   12.2221674067300       split increased to            2  itime       42901 
+ acceleration/energy drift too large   9.45122150525096     
+   43.2908359649247       split increased to            2  itime       34698 
   itsplit           1
- acceleration/energy drift too large   11.2079035931813     
-   57.1586678138241       split increased to            2  itime       43490 
+ acceleration/energy drift too large   3.18166793613259     
+   10.4178018095776       split increased to            2  itime       36028 
   itsplit           1
- acceleration/energy drift too large   4.04304653455460     
-   18.5459809986434       split increased to            2  itime       44544 
-  itsplit           1
- acceleration/energy drift too large   7.72035312686289     
-   24.9868158039625       split increased to            2  itime       45177 
-  itsplit           1
- acceleration/energy drift too large   4.34899542723403     
-   16.9449291424079       split increased to            2  itime       45182 
+Velocities reset to random values, time             7999.80
+ acceleration/energy drift too large   2.85884065291560     
+   10.8818130470378       split increased to            2  itime       45605 
   itsplit           1
- acceleration/energy drift too large   3.80242877493467     
-   19.9908322838560       split increased to            2  itime       47229 
+ acceleration/energy drift too large   1.86835468064674     
+   10.8073106206949       split increased to            2  itime       45937 
   itsplit           1
- acceleration/energy drift too large   2.43522748754176     
-   11.1407679330580       split increased to            2  itime       48056 
+ acceleration/energy drift too large   3.98610152003410     
+   12.9623685573306       split increased to            2  itime       46042 
   itsplit           1
- acceleration/energy drift too large   7.40190970834492     
-   16.3449319244533       split increased to            2  itime       48603 
+ acceleration/energy drift too large   1.98201378363214     
+   10.2041786376280       split increased to            2  itime       46077 
   itsplit           1
- acceleration/energy drift too large   4.20518494209941     
-   10.2290085582975       split increased to            2  itime       48993 
+ acceleration/energy drift too large   12.0305769701626     
+   51.0795556873231       split increased to            2  itime       46301 
   itsplit           1
- acceleration/energy drift too large   6.41487026475852     
-   16.8313808272919       split increased to            2  itime       49631 
+ acceleration/energy drift too large   4.52443741463104     
+   11.0156407799634       split increased to            2  itime       48016 
   itsplit           1
 Velocities reset to random values, time             9999.80
- acceleration/energy drift too large   1.58487717696334     
-   10.7212736542107       split increased to            2  itime       51070 
+ acceleration/energy drift too large   8.46591652181341     
+   41.2980950567876       split increased to            2  itime       50383 
   itsplit           1
- acceleration/energy drift too large   2.48729851179074     
-   12.7986416660483       split increased to            2  itime       51846 
+ acceleration/energy drift too large   5.16603909443402     
+   18.1107035658906       split increased to            2  itime       53458 
   itsplit           1
- acceleration/energy drift too large   11.4576638990693     
-   63.3816971413829       split increased to            2  itime       52253 
+ acceleration/energy drift too large   4.16513916994781     
+   10.9950579237936       split increased to            2  itime       54993 
   itsplit           1
- acceleration/energy drift too large   2.42810091172543     
-   16.9629860623230       split increased to            2  itime       52254 
+ acceleration/energy drift too large   1.17191836603789     
+   11.3841292078986       split increased to            2  itime       54994 
   itsplit           1
- acceleration/energy drift too large   5.55826454459671     
-   15.5767611330026       split increased to            2  itime       52353 
+ acceleration/energy drift too large   6.53208644347302     
+   10.0831139576686       split increased to            2  itime       57275 
   itsplit           1
- acceleration/energy drift too large   6.31128087204321     
-   13.9365191425724       split increased to            2  itime       54159 
+ acceleration/energy drift too large   6.38908095141739     
+   14.5965965531466       split increased to            2  itime       57276 
   itsplit           1
- acceleration/energy drift too large   5.16175960923982     
-   27.1744730449919       split increased to            2  itime       54222 
+ acceleration/energy drift too large   2.02710834549718     
+   10.6960901510766       split increased to            2  itime       59385 
   itsplit           1
- acceleration/energy drift too large   7.64675950776908     
-   20.3493935665896       split increased to            2  itime       54849 
+ acceleration/energy drift too large   4.01051594321700     
+   12.7233567378278       split increased to            2  itime       59632 
   itsplit           1
- acceleration/energy drift too large   6.17693197497629     
-   13.5946241445626       split increased to            2  itime       57277 
+ acceleration/energy drift too large   6.41506995709036     
+   14.3079348463333       split increased to            2  itime       59910 
   itsplit           1
 Velocities reset to random values, time            11999.80
- acceleration/energy drift too large   6.04161411128913     
-   13.8963834164425       split increased to            2  itime       61429 
+ acceleration/energy drift too large   3.16467940373217     
+   23.7016400391990       split increased to            2  itime       61862 
   itsplit           1
- acceleration/energy drift too large   3.84291328760816     
-   10.1754696640553       split increased to            2  itime       62155 
+ acceleration/energy drift too large   3.72648774559847     
+   12.1806580792817       split increased to            2  itime       63094 
   itsplit           1
- acceleration/energy drift too large   2.28474853752050     
-   15.8493127212477       split increased to            2  itime       63027 
+ acceleration/energy drift too large   4.91806822648186     
+   30.9786200495719       split increased to            2  itime       64693 
   itsplit           1
- acceleration/energy drift too large   3.33918937578584     
-   14.0889711393740       split increased to            2  itime       64278 
+ acceleration/energy drift too large   4.29281446835094     
+   12.1444339107584       split increased to            2  itime       66730 
   itsplit           1
- acceleration/energy drift too large   3.96423821746533     
-   10.2441286637972       split increased to            2  itime       66380 
+ acceleration/energy drift too large   4.61989520889989     
+   12.9095583930367       split increased to            2  itime       67488 
   itsplit           1
- acceleration/energy drift too large   3.25106563760068     
-   24.6867846977113       split increased to            2  itime       66975 
+ acceleration/energy drift too large   5.43649744666214     
+   13.9249448835651       split increased to            2  itime       67934 
   itsplit           1
- acceleration/energy drift too large   2.75352893033326     
-   19.7936487683326       split increased to            2  itime       67029 
+ acceleration/energy drift too large   4.27727867757810     
+   12.9808256592005       split increased to            2  itime       68568 
   itsplit           1
- acceleration/energy drift too large   7.13253544220628     
-   19.2799243747448       split increased to            2  itime       67064 
+ acceleration/energy drift too large   5.11438833240189     
+   19.8322614855305       split increased to            2  itime       68609 
   itsplit           1
- acceleration/energy drift too large   5.79226181484969     
-   14.2994558751836       split increased to            2  itime       67427 
+ acceleration/energy drift too large   4.17490161604549     
+   13.8606837764868       split increased to            2  itime       69264 
   itsplit           1
- acceleration/energy drift too large   3.60876406822577     
-   10.2388337571817       split increased to            2  itime       68776 
-  itsplit           1
- acceleration/energy drift too large   2.40274046345887     
-   11.0813103107384       split increased to            2  itime       68871 
-  itsplit           1
- acceleration/energy drift too large   6.26790985102664     
-   16.8582712348360       split increased to            2  itime       69778 
+ acceleration/energy drift too large   3.83724460451895     
+   15.4115668727246       split increased to            2  itime       69940 
   itsplit           1
 Velocities reset to random values, time            13999.80
- acceleration/energy drift too large   4.91733834731869     
-   21.6634942912416       split increased to            2  itime       70962 
-  itsplit           1
- acceleration/energy drift too large   5.79001914171994     
-   10.8993211382899       split increased to            2  itime       73344 
+ acceleration/energy drift too large   4.01685434054205     
+   10.8069464783478       split increased to            2  itime       71105 
   itsplit           1
- acceleration/energy drift too large   3.68254836021802     
-   16.4563958311972       split increased to            2  itime       73665 
+ acceleration/energy drift too large   13.0626679391747     
+   87.9388227824471       split increased to            2  itime       71910 
   itsplit           1
- acceleration/energy drift too large   3.45532546646789     
-   23.3613715497360       split increased to            2  itime       74990 
+ acceleration/energy drift too large   7.20000328983353     
+   18.1178033475454       split increased to            2  itime       71988 
   itsplit           1
- acceleration/energy drift too large   6.13635919619488     
-   18.5401285476581       split increased to            2  itime       76859 
+ acceleration/energy drift too large   6.04958400342580     
+   14.9219321071401       split increased to            2  itime       72341 
   itsplit           1
- acceleration/energy drift too large   6.87151130627845     
-   18.8548394757896       split increased to            2  itime       77050 
+ acceleration/energy drift too large   4.45889454571717     
+   15.5432456970247       split increased to            2  itime       74578 
   itsplit           1
- acceleration/energy drift too large   4.28154290814799     
-   17.1109357840038       split increased to            2  itime       77575 
+ acceleration/energy drift too large   5.94353008726795     
+   19.5767458089862       split increased to            2  itime       75898 
   itsplit           1
- acceleration/energy drift too large   3.40781318246054     
-   11.0908932964902       split increased to            2  itime       77672 
+ acceleration/energy drift too large   1.41468466336670     
+   11.8115584305727       split increased to            2  itime       75899 
   itsplit           1
- acceleration/energy drift too large   10.3873117083375     
-   40.8587371553500       split increased to            2  itime       77789 
+ acceleration/energy drift too large   5.43126051257083     
+   11.4467820493096       split increased to            2  itime       76681 
   itsplit           1
- acceleration/energy drift too large   2.14464471672795     
-   11.8587422689643       split increased to            2  itime       77790 
-  itsplit           1
- acceleration/energy drift too large   6.25230039647147     
-   14.5801930837169       split increased to            2  itime       77862 
-  itsplit           1
- acceleration/energy drift too large   4.24968861698396     
-   13.6567719184114       split increased to            2  itime       78200 
+ acceleration/energy drift too large   1.30412019682234     
+   10.3877710905946       split increased to            2  itime       77800 
   itsplit           1
 Velocities reset to random values, time            15999.80
- acceleration/energy drift too large   13.1141659483221     
-   69.1395602424480       split increased to            2  itime       80817 
-  itsplit           1
- acceleration/energy drift too large   3.91223379863365     
-   12.7362860381112       split increased to            2  itime       80865 
+ acceleration/energy drift too large   5.92067317044391     
+   12.1554434047725       split increased to            2  itime       83484 
   itsplit           1
- acceleration/energy drift too large   5.51093838390477     
-   12.2530883525161       split increased to            2  itime       80925 
+ acceleration/energy drift too large   5.21686771258510     
+   15.1491984626158       split increased to            2  itime       85810 
   itsplit           1
- acceleration/energy drift too large   4.57031026709038     
-   13.7067506810398       split increased to            2  itime       81687 
+ acceleration/energy drift too large   7.31880749879907     
+   18.6681818294367       split increased to            2  itime       86296 
   itsplit           1
- acceleration/energy drift too large   8.65456935304419     
-   36.0666379557614       split increased to            2  itime       82775 
+ acceleration/energy drift too large   4.18607940482989     
+   36.7218017523689       split increased to            2  itime       86458 
   itsplit           1
- acceleration/energy drift too large   3.43631935716064     
-   17.4089364271753       split increased to            2  itime       82951 
+ acceleration/energy drift too large   8.90713651382507     
+   18.3163329571860       split increased to            2  itime       87179 
   itsplit           1
- acceleration/energy drift too large   1.79521171017922     
-   12.3527142800928       split increased to            2  itime       83073 
+ acceleration/energy drift too large   2.14154289965140     
+   10.3495300742453       split increased to            2  itime       87883 
   itsplit           1
- acceleration/energy drift too large   9.93257088611876     
-   52.7089595995980       split increased to            2  itime       83746 
+ acceleration/energy drift too large   2.22235027611116     
+   10.0797282196810       split increased to            2  itime       87967 
   itsplit           1
- acceleration/energy drift too large   2.51284077045022     
-   28.1947389501806       split increased to            2  itime       83747 
+ acceleration/energy drift too large   4.06618995085872     
+   10.2556647232415       split increased to            2  itime       87993 
   itsplit           1
- acceleration/energy drift too large   9.86094869589410     
-   57.1547882019347       split increased to            2  itime       83842 
+ acceleration/energy drift too large   5.46533217080122     
+   18.9519545819862       split increased to            2  itime       88083 
   itsplit           1
- acceleration/energy drift too large   11.6490479866609     
-   44.1232813537605       split increased to            2  itime       84896 
+ acceleration/energy drift too large   4.35661767079769     
+   13.6485379177394       split increased to            2  itime       88147 
   itsplit           1
- acceleration/energy drift too large   2.38344546521977     
-   14.8174164401760       split increased to            2  itime       84897 
+ acceleration/energy drift too large   3.05413513905650     
+   14.7150513609441       split increased to            2  itime       88148 
   itsplit           1
- acceleration/energy drift too large   7.43099319896510     
-   27.5034346118822       split increased to            2  itime       85985 
+ acceleration/energy drift too large   5.29165936196420     
+   15.6845738230786       split increased to            2  itime       88162 
   itsplit           1
- acceleration/energy drift too large   7.93068788353024     
-   25.2981897829692       split increased to            2  itime       89407 
+Velocities reset to random values, time            17999.80
+ acceleration/energy drift too large   12.0869002578448     
+   60.9580124863403       split increased to            2  itime       91064 
   itsplit           1
- acceleration/energy drift too large   7.88082487806058     
-   29.5554072108418       split increased to            2  itime       89802 
+ acceleration/energy drift too large   4.88217813914722     
+   19.0387637529673       split increased to            2  itime       94245 
   itsplit           1
-Velocities reset to random values, time            17999.80
- acceleration/energy drift too large   6.44480847945492     
-   21.1790577648411       split increased to            2  itime       93298 
+ acceleration/energy drift too large   7.45369542446815     
+   21.9222798621868       split increased to            2  itime       95027 
   itsplit           1
- acceleration/energy drift too large   2.18541783201846     
-   13.4921086850343       split increased to            2  itime       93917 
+ acceleration/energy drift too large   1.95297502238896     
+   11.0934339190289       split increased to            2  itime       95028 
   itsplit           1
- acceleration/energy drift too large   2.10867157793055     
-   12.8262537529640       split increased to            2  itime       95288 
+ acceleration/energy drift too large   5.98703166235174     
+   20.2657581349062       split increased to            2  itime       96444 
   itsplit           1
- acceleration/energy drift too large   5.56737649914396     
-   19.8142665709726       split increased to            2  itime       97445 
+ acceleration/energy drift too large   8.48444340493494     
+   35.6188308867794       split increased to            2  itime       97012 
   itsplit           1
 Velocities reset to random values, time            19999.80
  REMD synchro at      100000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   33.0312500000000       0.000000000000000E+000
+ REMD gather times=   41.3242187500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
 ACC   1   250.00000     0.00000    1
-ACC   2   260.00000     1.00000    1
-ACC   3   270.00000     0.00000    1
+ACC   2   260.00000     0.00000    1
+ACC   3   270.00000     1.00000    1
 ACC   4   280.00000     1.00000    1
 ACC   5   290.00000     0.00000    1
-ACC   6   300.00000     1.00000    1
-ACC   7   310.00000     0.00000    1
+ACC   6   300.00000     0.00000    1
+ACC   7   310.00000     1.00000    1
 ACC   8   320.00000     1.00000    1
 ACC   9   330.00000     0.00000    1
 ACC  10   340.00000     0.00000    1
 ACC  11   350.00000     1.00000    1
 ACC  12   360.00000     1.00000    1
-ACC  13   370.00000     1.00000    1
-ACC  14   380.00000     0.00000    1
+ACC  13   370.00000     0.00000    1
+ACC  14   380.00000     1.00000    1
 ACC  15   390.00000     1.00000    1
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   7.47751875862093     
-   25.5449713464121       split increased to            2  itime      100514 
+ acceleration/energy drift too large   5.93513861650592     
+   28.6617519856178       split increased to            2  itime      100016 
+  itsplit           1
+ acceleration/energy drift too large   2.94593026509243     
+   12.3655833324725       split increased to            2  itime      101359 
   itsplit           1
- acceleration/energy drift too large   4.07864525408062     
-   10.9735912764235       split increased to            2  itime      101180 
+ acceleration/energy drift too large   6.85096607318400     
+   16.1916115655967       split increased to            2  itime      101607 
   itsplit           1
- acceleration/energy drift too large   5.44169258141506     
-   13.9981586755443       split increased to            2  itime      101649 
+ acceleration/energy drift too large   4.00665737220926     
+   10.4724172143073       split increased to            2  itime      102032 
   itsplit           1
- acceleration/energy drift too large   5.84596412995461     
-   20.9296218959883       split increased to            2  itime      103402 
+ acceleration/energy drift too large   14.5894834372748     
+   86.3816252343415       split increased to            2  itime      103865 
   itsplit           1
- acceleration/energy drift too large   3.72098345213532     
-   31.3411412279215       split increased to            2  itime      104808 
+ acceleration/energy drift too large   10.2762851503161     
+   41.9569320621232       split increased to            2  itime      104075 
   itsplit           1
- acceleration/energy drift too large   11.2898137721479     
-   60.9896698403549       split increased to            2  itime      107084 
+ acceleration/energy drift too large   4.80084841317229     
+   23.1564792277737       split increased to            2  itime      104835 
   itsplit           1
+ acceleration/energy drift too large   4.41273995891279     
+   11.7499164487429       split increased to            2  itime      109082 
+  itsplit           1
+ acceleration/energy drift too large   6.27497541749042     
+   29.5466499150606       split increased to            2  itime      109370 
+  itsplit           1
+ acceleration/energy drift too large   10.9288674887910     
+   59.2983868505591       split increased to            2  itime      109974 
+  itsplit           1
+ acceleration/energy drift too large   2.16038961536281     
+   10.7169239739392       split increased to            4  itime      109974 
+  itsplit           2
 Velocities reset to random values, time            21999.80
- acceleration/energy drift too large   4.40865361374287     
-   14.2579424030985       split increased to            2  itime      111821 
+ acceleration/energy drift too large   7.81955046533018     
+   26.8815326563844       split increased to            2  itime      112048 
+  itsplit           1
+ acceleration/energy drift too large   3.73239621850074     
+   11.3653365630248       split increased to            2  itime      112232 
+  itsplit           1
+ acceleration/energy drift too large   9.82379670533331     
+   37.5035161702640       split increased to            2  itime      112476 
+  itsplit           1
+ acceleration/energy drift too large   2.53846855487312     
+   19.5369737269602       split increased to            2  itime      113731 
   itsplit           1
- acceleration/energy drift too large   6.16713787185276     
-   10.8523195397016       split increased to            2  itime      113358 
+ acceleration/energy drift too large   6.00017138967663     
+   21.2149693982569       split increased to            2  itime      114147 
   itsplit           1
- acceleration/energy drift too large   5.59105089622593     
-   14.6341534422653       split increased to            2  itime      116315 
+ acceleration/energy drift too large   2.83424196424195     
+   14.9154243170554       split increased to            2  itime      114509 
   itsplit           1
- acceleration/energy drift too large   2.08126745068321     
-   13.5841017378972       split increased to            2  itime      117479 
+ acceleration/energy drift too large   5.39887429826091     
+   11.1762309159555       split increased to            2  itime      115668 
   itsplit           1
- acceleration/energy drift too large   11.3964583290280     
-   63.5542959967667       split increased to            2  itime      117822 
+ acceleration/energy drift too large   8.59665291109067     
+   25.9403058332849       split increased to            2  itime      116009 
   itsplit           1
- acceleration/energy drift too large   7.93532310808588     
-   24.7279347218759       split increased to            2  itime      117921 
+ acceleration/energy drift too large   6.17572227741080     
+   25.4229300857791       split increased to            2  itime      116339 
   itsplit           1
- acceleration/energy drift too large   2.58783009205759     
-   11.4687547170133       split increased to            2  itime      119620 
+ acceleration/energy drift too large   6.38082623100020     
+   24.0244138542674       split increased to            2  itime      116673 
   itsplit           1
- acceleration/energy drift too large   13.3614421842744     
-   78.9401795892064       split increased to            2  itime      119944 
+ acceleration/energy drift too large   6.35706181151403     
+   15.3336143372090       split increased to            2  itime      119988 
+  itsplit           1
+ acceleration/energy drift too large   1.54739777903459     
+   10.7944751574952       split increased to            2  itime      119989 
   itsplit           1
 Velocities reset to random values, time            23999.80
- acceleration/energy drift too large   9.35219129126635     
-   46.0916077009836       split increased to            2  itime      122095 
+ acceleration/energy drift too large   11.0010705884253     
+   46.5779190582905       split increased to            2  itime      120512 
+  itsplit           1
+ acceleration/energy drift too large   2.34923675270493     
+   10.9180234866370       split increased to            4  itime      120512 
   itsplit           1
- acceleration/energy drift too large   5.39558567625896     
-   12.8631347533727       split increased to            2  itime      123530 
+ acceleration/energy drift too large   7.04039121924300     
+   17.4258150115111       split increased to            2  itime      122316 
   itsplit           1
- acceleration/energy drift too large   5.52744402952823     
-   13.5570984817836       split increased to            2  itime      123841 
+ acceleration/energy drift too large   5.84358182125819     
+   12.7813766302032       split increased to            2  itime      125349 
   itsplit           1
- acceleration/energy drift too large   5.02333906300500     
-   17.7041782929329       split increased to            2  itime      126250 
+ acceleration/energy drift too large   5.19424816312189     
+   20.4866154686175       split increased to            2  itime      126456 
   itsplit           1
- acceleration/energy drift too large   9.00135975010131     
-   26.8278467598703       split increased to            2  itime      128271 
+ acceleration/energy drift too large   4.35287088828554     
+   14.2069493374309       split increased to            2  itime      128321 
   itsplit           1
 Velocities reset to random values, time            25999.80
- acceleration/energy drift too large   2.90369319729736     
-   18.6290356932018       split increased to            2  itime      131430 
+ acceleration/energy drift too large   5.25633533942894     
+   15.0106742155530       split increased to            2  itime      130434 
   itsplit           1
- acceleration/energy drift too large   5.19703791916983     
-   10.3064512686059       split increased to            2  itime      133981 
+ acceleration/energy drift too large   6.42028889526217     
+   14.4641310781880       split increased to            2  itime      130633 
   itsplit           1
- acceleration/energy drift too large   4.32633470764754     
-   15.9710726340007       split increased to            2  itime      134103 
+ acceleration/energy drift too large   6.65178379409921     
+   13.7281121403279       split increased to            2  itime      131765 
   itsplit           1
-Velocities reset to random values, time            27999.80
- acceleration/energy drift too large   12.1027000499844     
-   72.2599914997127       split increased to            2  itime      140257 
+ acceleration/energy drift too large   4.08022818983795     
+   19.2277258434627       split increased to            2  itime      132882 
   itsplit           1
- acceleration/energy drift too large   2.38704217039407     
-   11.9480346067532       split increased to            4  itime      140257 
+ acceleration/energy drift too large   11.3484812103328     
+   38.4698220595935       split increased to            2  itime      134236 
   itsplit           1
- acceleration/energy drift too large   2.69571353833265     
-   22.9084017398372       split increased to            2  itime      143492 
+ acceleration/energy drift too large   5.61667785063145     
+   36.3992357739707       split increased to            2  itime      134747 
   itsplit           1
- acceleration/energy drift too large   4.41205703912584     
-   11.5243929020828       split increased to            2  itime      144593 
+ acceleration/energy drift too large   4.22149402461153     
+   10.8482933436149       split increased to            2  itime      137351 
+  itsplit           1
+ acceleration/energy drift too large   6.53074198772612     
+   12.8466323253727       split increased to            2  itime      139757 
+  itsplit           1
+Velocities reset to random values, time            27999.80
+ acceleration/energy drift too large   4.74274763022155     
+   15.2298569992084       split increased to            2  itime      140869 
   itsplit           1
- acceleration/energy drift too large   3.74725743918734     
-   28.3399417306612       split increased to            2  itime      145834 
+ acceleration/energy drift too large   5.95782169053832     
+   28.9657311437838       split increased to            2  itime      142748 
   itsplit           1
- acceleration/energy drift too large   9.47582033248301     
-   39.0678182595833       split increased to            2  itime      146683 
+ acceleration/energy drift too large   5.33942237581445     
+   16.0537144434226       split increased to            2  itime      145120 
   itsplit           1
- acceleration/energy drift too large   7.66864074108466     
-   26.7850516854001       split increased to            2  itime      148543 
+ acceleration/energy drift too large   4.54326669871440     
+   11.3018941500642       split increased to            2  itime      145121 
   itsplit           1
- acceleration/energy drift too large   5.16907715320873     
-   13.4486569349165       split increased to            2  itime      149940 
+ acceleration/energy drift too large   3.34616009287506     
+   11.7541504457757       split increased to            2  itime      145281 
   itsplit           1
 Velocities reset to random values, time            29999.80
- acceleration/energy drift too large   6.55021944945666     
-   17.8145413850905       split increased to            2  itime      152359 
+ acceleration/energy drift too large   6.43038530834879     
+   12.5442460561467       split increased to            2  itime      151009 
   itsplit           1
- acceleration/energy drift too large   4.49418684877101     
-   14.0413531009880       split increased to            2  itime      155364 
+ acceleration/energy drift too large   6.19973014860350     
+   19.4112251401803       split increased to            2  itime      151972 
   itsplit           1
- acceleration/energy drift too large   7.82092466131203     
-   15.2528944138096       split increased to            2  itime      155950 
+ acceleration/energy drift too large   6.33583528104485     
+   15.3237929055735       split increased to            2  itime      152256 
   itsplit           1
- acceleration/energy drift too large   7.62235478316594     
-   13.0065853520451       split increased to            2  itime      156692 
+ acceleration/energy drift too large   3.63929133923816     
+   25.5958109542901       split increased to            2  itime      155054 
   itsplit           1
- acceleration/energy drift too large   2.40643466268650     
-   10.0954332129897       split increased to            2  itime      156910 
+ acceleration/energy drift too large   8.87287164191711     
+   26.6476373100856       split increased to            2  itime      159090 
   itsplit           1
 Velocities reset to random values, time            31999.80
- acceleration/energy drift too large   7.35332891315433     
-   28.4070895964848       split increased to            2  itime      161130 
+ acceleration/energy drift too large   6.43756754349056     
+   12.4639955923611       split increased to            2  itime      160143 
   itsplit           1
- acceleration/energy drift too large   1.54322312640791     
-   11.3990763256420       split increased to            2  itime      161131 
+ acceleration/energy drift too large   8.54074061935143     
+   38.8896467105338       split increased to            2  itime      161616 
   itsplit           1
- acceleration/energy drift too large   3.34102187246166     
-   20.4698491115587       split increased to            2  itime      161928 
+ acceleration/energy drift too large   4.15346706307488     
+   12.9384953808585       split increased to            2  itime      162979 
   itsplit           1
- acceleration/energy drift too large   2.82477416069976     
-   22.7352647130894       split increased to            2  itime      163245 
+ acceleration/energy drift too large   3.22507840657782     
+   21.8696680239266       split increased to            2  itime      163693 
   itsplit           1
- acceleration/energy drift too large   4.07867339197659     
-   17.4395403671786       split increased to            2  itime      163387 
+ acceleration/energy drift too large   11.3373818760639     
+   61.3711293688740       split increased to            2  itime      164162 
   itsplit           1
- acceleration/energy drift too large   5.54010701824379     
-   10.4194400699046       split increased to            2  itime      163509 
+ acceleration/energy drift too large   5.76667701443613     
+   10.6053686606900       split increased to            2  itime      164748 
   itsplit           1
- acceleration/energy drift too large   8.99722073714139     
-   37.3980232309123       split increased to            2  itime      164224 
+ acceleration/energy drift too large   9.15119565839555     
+   38.3162835942076       split increased to            2  itime      166097 
   itsplit           1
- acceleration/energy drift too large   3.51459462617278     
-   12.0701996263724       split increased to            2  itime      164331 
+ acceleration/energy drift too large   6.92476812983487     
+   21.6947704388162       split increased to            2  itime      166911 
   itsplit           1
- acceleration/energy drift too large   3.00280395291864     
-   11.0325758646670       split increased to            2  itime      164361 
+Velocities reset to random values, time            33999.80
+ acceleration/energy drift too large   4.00016352213372     
+   11.0005566533539       split increased to            2  itime      170564 
   itsplit           1
- acceleration/energy drift too large   5.64321751351440     
-   12.9886846619072       split increased to            2  itime      167825 
+ acceleration/energy drift too large   13.6903024510036     
+   71.2350598652297       split increased to            2  itime      170738 
   itsplit           1
- acceleration/energy drift too large   3.93910733303676     
-   15.4422590596853       split increased to            2  itime      168795 
+ acceleration/energy drift too large   1.98781785735850     
+   14.6366954123303       split increased to            2  itime      170739 
   itsplit           1
-Velocities reset to random values, time            33999.80
- acceleration/energy drift too large   5.33583379878574     
-   19.4103935815173       split increased to            2  itime      174037 
+ acceleration/energy drift too large   4.71114892543482     
+   13.3897481617229       split increased to            2  itime      173020 
+  itsplit           1
+ acceleration/energy drift too large   8.05126115324831     
+   31.8173798908278       split increased to            2  itime      173065 
   itsplit           1
- acceleration/energy drift too large   6.84691446536164     
-   27.7674989906776       split increased to            2  itime      174827 
+ acceleration/energy drift too large   2.48211251624321     
+   23.8172756503275       split increased to            2  itime      173444 
   itsplit           1
- acceleration/energy drift too large   2.59238965788831     
-   12.2741641270197       split increased to            2  itime      178416 
+ acceleration/energy drift too large   6.56774922332209     
+   12.8859889422153       split increased to            2  itime      174785 
   itsplit           1
- acceleration/energy drift too large   2.66840583062836     
-   13.9525103219437       split increased to            2  itime      178419 
+ acceleration/energy drift too large   4.70625978689595     
+   10.3565054674371       split increased to            2  itime      175454 
   itsplit           1
- acceleration/energy drift too large   11.2329321701859     
-   57.3452680492286       split increased to            2  itime      178672 
+ acceleration/energy drift too large   7.68385958718392     
+   24.6476599890223       split increased to            2  itime      176854 
   itsplit           1
- acceleration/energy drift too large   4.55654245731672     
-   17.7033972509772       split increased to            2  itime      178856 
+ acceleration/energy drift too large   4.37024122789862     
+   13.1501246755790       split increased to            2  itime      177656 
+  itsplit           1
+ acceleration/energy drift too large   1.00827975603581     
+   10.5542970800050       split increased to            2  itime      179369 
+  itsplit           1
+ acceleration/energy drift too large   4.85720462005250     
+   10.9252798398133       split increased to            2  itime      179908 
   itsplit           1
 Velocities reset to random values, time            35999.80
- acceleration/energy drift too large   5.88354877597427     
-   13.7364753174062       split increased to            2  itime      180587 
+ acceleration/energy drift too large   7.10671792269137     
+   22.9038076402771       split increased to            2  itime      182060 
+  itsplit           1
+ acceleration/energy drift too large   10.5200658661234     
+   61.5248511890765       split increased to            2  itime      182770 
   itsplit           1
- acceleration/energy drift too large   7.09893521161183     
-   19.6090709744255       split increased to            2  itime      182984 
+ acceleration/energy drift too large   2.51649869688141     
+   10.2604927296180       split increased to            4  itime      182770 
   itsplit           1
- acceleration/energy drift too large   4.14110955639075     
-   10.9459986120418       split increased to            2  itime      183134 
+ acceleration/energy drift too large   2.38612819383852     
+   13.2162310888593       split increased to            2  itime      183991 
   itsplit           1
- acceleration/energy drift too large   2.89086588978128     
-   21.1042847744719       split increased to            2  itime      186026 
+ acceleration/energy drift too large   4.08298336909932     
+   10.7926649011513       split increased to            2  itime      184556 
   itsplit           1
- acceleration/energy drift too large   7.23153334359751     
-   16.5674917114068       split increased to            2  itime      186191 
+ acceleration/energy drift too large   2.43503234596461     
+   12.9879309784479       split increased to            2  itime      185485 
   itsplit           1
- acceleration/energy drift too large   3.43468477782184     
-   26.5159253886503       split increased to            2  itime      186715 
+ acceleration/energy drift too large   2.85236851200964     
+   12.8960888455026       split increased to            2  itime      185664 
   itsplit           1
- acceleration/energy drift too large   9.06208103535362     
-   24.3049832918958       split increased to            2  itime      189073 
+ acceleration/energy drift too large   4.11973854650120     
+   12.7639093424629       split increased to            2  itime      188385 
   itsplit           1
- acceleration/energy drift too large   7.62267091712175     
-   17.4749221042404       split increased to            2  itime      189564 
+ acceleration/energy drift too large   4.51550758035281     
+   22.3944965672669       split increased to            2  itime      189648 
+  itsplit           1
+ acceleration/energy drift too large   6.60119818828983     
+   28.6774426858893       split increased to            2  itime      189876 
   itsplit           1
 Velocities reset to random values, time            37999.80
- acceleration/energy drift too large   4.96682565014359     
-   13.2968307244120       split increased to            2  itime      191792 
+ acceleration/energy drift too large   6.16274881873996     
+   24.7551962705497       split increased to            2  itime      190447 
+  itsplit           1
+ acceleration/energy drift too large   2.14411673387550     
+   16.7185591162685       split increased to            2  itime      190448 
   itsplit           1
- acceleration/energy drift too large   4.33069639198321     
-   11.2636291162189       split increased to            2  itime      195332 
+ acceleration/energy drift too large   12.7213070586935     
+   78.4196782354728       split increased to            2  itime      191414 
   itsplit           1
- acceleration/energy drift too large   9.84781303065440     
-   48.5023933456022       split increased to            2  itime      195754 
+ acceleration/energy drift too large   4.79174427316840     
+   17.0975258531082       split increased to            2  itime      196621 
   itsplit           1
- acceleration/energy drift too large   2.27986823891657     
-   10.8724913837531       split increased to            2  itime      195755 
+ acceleration/energy drift too large   2.18147054637810     
+   11.7577308544435       split increased to            2  itime      196622 
   itsplit           1
- acceleration/energy drift too large   6.40113761220497     
-   11.3092049449880       split increased to            2  itime      197720 
+ acceleration/energy drift too large   2.74378588988487     
+   22.0246636849097       split increased to            2  itime      196839 
   itsplit           1
- acceleration/energy drift too large   5.80965436737274     
-   13.5600545734404       split increased to            2  itime      198804 
+ acceleration/energy drift too large   8.05194057782343     
+   18.5257176066138       split increased to            2  itime      197733 
   itsplit           1
 Velocities reset to random values, time            39999.80
  REMD synchro at      200000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   66.1406250000000       0.000000000000000E+000
+ REMD gather times=   83.2929687500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
  REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.00000    2
-ACC   2   260.00000     1.00000    2
-ACC   3   270.00000     0.50000    2
+ACC   1   250.00000     0.50000    2
+ACC   2   260.00000     0.00000    2
+ACC   3   270.00000     1.00000    2
 ACC   4   280.00000     0.50000    2
 ACC   5   290.00000     0.50000    2
-ACC   6   300.00000     1.00000    2
+ACC   6   300.00000     0.50000    2
 ACC   7   310.00000     0.50000    2
-ACC   8   320.00000     0.50000    2
-ACC   9   330.00000     0.00000    2
+ACC   8   320.00000     1.00000    2
+ACC   9   330.00000     0.50000    2
 ACC  10   340.00000     0.50000    2
-ACC  11   350.00000     0.50000    2
+ACC  11   350.00000     1.00000    2
 ACC  12   360.00000     1.00000    2
-ACC  13   370.00000     1.00000    2
-ACC  14   380.00000     0.50000    2
+ACC  13   370.00000     0.50000    2
+ACC  14   380.00000     1.00000    2
 ACC  15   390.00000     1.00000    2
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   2.07414209823153     
-   12.0563725198080       split increased to            2  itime      200329 
+ acceleration/energy drift too large   4.59408864483122     
+   12.0558249348045       split increased to            2  itime      203579 
+  itsplit           1
+ acceleration/energy drift too large   2.73599250700779     
+   14.8626669014985       split increased to            2  itime      204282 
   itsplit           1
- acceleration/energy drift too large   5.43792286814021     
-   17.8710130503782       split increased to            2  itime      201033 
+ acceleration/energy drift too large   8.31634426661832     
+   29.4255928278135       split increased to            2  itime      205286 
   itsplit           1
- acceleration/energy drift too large   6.09427061989615     
-   22.9396296621916       split increased to            2  itime      202015 
+ acceleration/energy drift too large   1.54625494677873     
+   15.1624323911780       split increased to            2  itime      205287 
   itsplit           1
- acceleration/energy drift too large   6.25410110008772     
-   16.4093599323524       split increased to            2  itime      202218 
+ acceleration/energy drift too large   8.66182718985187     
+   33.1905490207592       split increased to            2  itime      205685 
   itsplit           1
- acceleration/energy drift too large   4.89326478889056     
-   11.6807195000026       split increased to            2  itime      203682 
+ acceleration/energy drift too large   9.13092632729939     
+   37.2074484278480       split increased to            2  itime      205833 
   itsplit           1
- acceleration/energy drift too large   7.60178294879138     
-   25.6114249413718       split increased to            2  itime      205551 
+ acceleration/energy drift too large  0.709681188924940     
+   12.9865617346389       split increased to            2  itime      205834 
   itsplit           1
- acceleration/energy drift too large   4.22869516260420     
-   10.9721510415164       split increased to            2  itime      206773 
+ acceleration/energy drift too large   3.92634174259366     
+   10.7024357862876       split increased to            2  itime      207419 
   itsplit           1
- acceleration/energy drift too large   4.52812569284220     
-   13.4665899040602       split increased to            2  itime      209941 
+ acceleration/energy drift too large   10.9148485597084     
+   43.4457948255316       split increased to            2  itime      208334 
+  itsplit           1
+ acceleration/energy drift too large   2.44718186008993     
+   11.8035333163884       split increased to            2  itime      209422 
+  itsplit           1
+ acceleration/energy drift too large   5.01763661395249     
+   16.7922727245692       split increased to            2  itime      209868 
   itsplit           1
 Velocities reset to random values, time            41999.80
- acceleration/energy drift too large   4.53998935837118     
-   10.5456392570919       split increased to            2  itime      210579 
+ acceleration/energy drift too large   6.61929499240186     
+   30.6306170475971       split increased to            2  itime      210383 
+  itsplit           1
+ acceleration/energy drift too large   4.28360811516255     
+   25.9749345627328       split increased to            2  itime      211084 
   itsplit           1
- acceleration/energy drift too large   2.76369313833234     
-   20.7410048037529       split increased to            2  itime      212534 
+ acceleration/energy drift too large   5.01466805108561     
+   17.1365180315037       split increased to            2  itime      212605 
   itsplit           1
- acceleration/energy drift too large   9.66089076598050     
-   52.8472177382787       split increased to            2  itime      212935 
+ acceleration/energy drift too large   7.80601320907850     
+   29.6763213268298       split increased to            2  itime      214578 
   itsplit           1
- acceleration/energy drift too large   9.79496782943314     
-   45.7572648060199       split increased to            2  itime      218814 
+ acceleration/energy drift too large   2.60999942929025     
+   10.0848303222503       split increased to            2  itime      215155 
   itsplit           1
- acceleration/energy drift too large   5.32068158111846     
-   12.1919282766055       split increased to            2  itime      219191 
+ acceleration/energy drift too large   3.86666704245465     
+   11.3807625264393       split increased to            2  itime      217152 
+  itsplit           1
+ acceleration/energy drift too large   6.39539977336902     
+   26.8394914157008       split increased to            2  itime      218225 
+  itsplit           1
+ acceleration/energy drift too large   1.96001737983379     
+   10.0630460940503       split increased to            2  itime      219788 
+  itsplit           1
+ acceleration/energy drift too large   2.93444586528398     
+   10.5828683706290       split increased to            2  itime      219841 
   itsplit           1
 Velocities reset to random values, time            43999.80
- acceleration/energy drift too large   5.28905805835363     
-   17.0819493974468       split increased to            2  itime      223191 
+ acceleration/energy drift too large   2.40328511949559     
+   17.9483934762652       split increased to            2  itime      220716 
+  itsplit           1
+ acceleration/energy drift too large   6.45258462901250     
+   26.0945023333158       split increased to            2  itime      221270 
+  itsplit           1
+ acceleration/energy drift too large   4.23308996684634     
+   11.3576310528166       split increased to            2  itime      223538 
+  itsplit           1
+ acceleration/energy drift too large   3.81906414352634     
+   10.3732287061085       split increased to            2  itime      223737 
+  itsplit           1
+ acceleration/energy drift too large   4.41439393141235     
+   24.1668518266648       split increased to            2  itime      224917 
   itsplit           1
- acceleration/energy drift too large   8.50111846038221     
-   32.6438656240447       split increased to            2  itime      223377 
+ acceleration/energy drift too large   10.0475752078166     
+   23.2109597267737       split increased to            2  itime      224988 
   itsplit           1
- acceleration/energy drift too large   3.93079710351154     
-   30.1136620046844       split increased to            2  itime      224468 
+ acceleration/energy drift too large   4.71864488720977     
+   11.3845369327899       split increased to            2  itime      224997 
   itsplit           1
- acceleration/energy drift too large   7.51073689628212     
-   33.6063304411252       split increased to            2  itime      224973 
+ acceleration/energy drift too large   9.42857395214169     
+   41.2904650673104       split increased to            2  itime      225050 
   itsplit           1
- acceleration/energy drift too large   4.05204451352571     
-   13.6778308222909       split increased to            2  itime      225078 
+ acceleration/energy drift too large   8.72888190628566     
+   17.7411147950760       split increased to            2  itime      225079 
   itsplit           1
- acceleration/energy drift too large   6.02532905190700     
-   16.9403458223521       split increased to            2  itime      226423 
+ acceleration/energy drift too large   4.72254076388948     
+   19.9287877633090       split increased to            2  itime      225554 
   itsplit           1
- acceleration/energy drift too large   2.90238076664903     
-   16.8794667449051       split increased to            2  itime      228016 
+ acceleration/energy drift too large   5.11461192891853     
+   10.0833881500307       split increased to            2  itime      226213 
   itsplit           1
- acceleration/energy drift too large   14.3751026845630     
-   110.698787830979       split increased to            2  itime      229112 
+ acceleration/energy drift too large   6.02186855813688     
+   14.1461510643558       split increased to            2  itime      228436 
   itsplit           1
- acceleration/energy drift too large   2.96085029934159     
-   10.1981182207276       split increased to            2  itime      229852 
+ acceleration/energy drift too large   4.22773033160916     
+   10.7657976191876       split increased to            2  itime      228437 
+  itsplit           1
+ acceleration/energy drift too large   4.64580189624746     
+   10.2839101455895       split increased to            2  itime      228575 
+  itsplit           1
+ acceleration/energy drift too large   3.83421492760248     
+   10.7794029084714       split increased to            2  itime      228877 
   itsplit           1
 Velocities reset to random values, time            45999.80
- acceleration/energy drift too large   6.88668497129105     
-   23.0544045244218       split increased to            2  itime      231168 
+ acceleration/energy drift too large   3.52957986556487     
+   13.2228438469939       split increased to            2  itime      232198 
   itsplit           1
- acceleration/energy drift too large   11.1593876399256     
-   41.6541957558349       split increased to            2  itime      231699 
+ acceleration/energy drift too large   6.07188116802746     
+   17.5134476134337       split increased to            2  itime      232793 
   itsplit           1
- acceleration/energy drift too large   3.66258392676894     
-   10.8964653493111       split increased to            2  itime      239256 
+ acceleration/energy drift too large   10.8480853805683     
+   49.0908290277122       split increased to            2  itime      235530 
   itsplit           1
 Velocities reset to random values, time            47999.80
- acceleration/energy drift too large   3.37223993469837     
-   15.8384490819893       split increased to            2  itime      242834 
+ acceleration/energy drift too large   13.2618711901055     
+   91.2655369239421       split increased to            2  itime      241114 
+  itsplit           1
+ acceleration/energy drift too large   4.12182398472707     
+   11.1157352057395       split increased to            2  itime      243457 
   itsplit           1
- acceleration/energy drift too large   7.66080338429012     
-   21.0836117032489       split increased to            2  itime      245603 
+ acceleration/energy drift too large   5.73062772146030     
+   16.4048233684658       split increased to            2  itime      244659 
   itsplit           1
- acceleration/energy drift too large   3.27090889715702     
-   20.9259643260654       split increased to            2  itime      246686 
+ acceleration/energy drift too large   9.74884741322674     
+   50.8996772598169       split increased to            2  itime      245328 
   itsplit           1
- acceleration/energy drift too large   7.32572006307396     
-   14.7927766119278       split increased to            2  itime      246991 
+ acceleration/energy drift too large   2.22064606371448     
+   12.4207600938281       split increased to            2  itime      247770 
   itsplit           1
- acceleration/energy drift too large   6.69608746877587     
-   15.8243832777417       split increased to            2  itime      248099 
+ acceleration/energy drift too large   5.62712609459097     
+   14.1082468589472       split increased to            2  itime      248340 
   itsplit           1
- acceleration/energy drift too large   4.40239089222515     
-   15.5033145864787       split increased to            2  itime      249259 
+ acceleration/energy drift too large   11.3888014403052     
+   63.1921565033428       split increased to            2  itime      249171 
+  itsplit           1
+ acceleration/energy drift too large   9.55296981923448     
+   47.0886399813410       split increased to            2  itime      249899 
   itsplit           1
 Velocities reset to random values, time            49999.80
- acceleration/energy drift too large   5.00528267997148     
-   19.2345953091958       split increased to            2  itime      253358 
+ acceleration/energy drift too large   3.60019377253538     
+   12.0982817526574       split increased to            2  itime      251165 
+  itsplit           1
+ acceleration/energy drift too large   7.85852692877818     
+   11.0225081594300       split increased to            2  itime      251879 
   itsplit           1
- acceleration/energy drift too large   4.03643905658413     
-   11.1660394198559       split increased to            2  itime      254267 
+ acceleration/energy drift too large   6.51078874740090     
+   15.0566397848030       split increased to            2  itime      251913 
   itsplit           1
- acceleration/energy drift too large   4.44588776243994     
-   10.0005669522453       split increased to            2  itime      256225 
+ acceleration/energy drift too large   2.99105013230266     
+   10.0380446871612       split increased to            2  itime      252018 
   itsplit           1
- acceleration/energy drift too large   4.35045999862963     
-   16.9787968818540       split increased to            2  itime      256928 
+ acceleration/energy drift too large   14.5686698663935     
+   84.5112170410911       split increased to            2  itime      254905 
   itsplit           1
- acceleration/energy drift too large   9.40539566843459     
-   41.9855452786899       split increased to            2  itime      256976 
+ acceleration/energy drift too large   3.79612407938973     
+   22.3130820797425       split increased to            4  itime      254905 
+  itsplit           2
+ acceleration/energy drift too large   3.65341353705152     
+   10.4669418688403       split increased to            2  itime      255098 
   itsplit           1
- acceleration/energy drift too large   5.26063277622618     
-   18.6684801364469       split increased to            2  itime      258370 
+ acceleration/energy drift too large   6.03706093738253     
+   41.2153436311167       split increased to            2  itime      256695 
   itsplit           1
- acceleration/energy drift too large   4.24351072812071     
-   10.1468437953451       split increased to            2  itime      259254 
+ acceleration/energy drift too large   3.66186584358054     
+   12.8922563820257       split increased to            2  itime      256699 
   itsplit           1
- acceleration/energy drift too large   6.20252038299588     
-   21.7938916286108       split increased to            2  itime      259434 
+ acceleration/energy drift too large   6.10161337453991     
+   37.2340783168568       split increased to            2  itime      256748 
   itsplit           1
- acceleration/energy drift too large   3.52019735726384     
-   15.5403710288937       split increased to            2  itime      259844 
+ acceleration/energy drift too large   5.89309428021383     
+   14.6005416015485       split increased to            2  itime      256812 
+  itsplit           1
+ acceleration/energy drift too large  0.908541415452403     
+   10.0858359465829       split increased to            2  itime      256813 
+  itsplit           1
+ acceleration/energy drift too large   7.10032154667374     
+   16.6927546409451       split increased to            2  itime      257040 
+  itsplit           1
+ acceleration/energy drift too large   2.40321301573065     
+   13.6082964558467       split increased to            2  itime      257084 
   itsplit           1
 Velocities reset to random values, time            51999.80
- acceleration/energy drift too large   4.39227187257631     
-   10.6119180668478       split increased to            2  itime      261534 
+ acceleration/energy drift too large   2.60968315976693     
+   12.6976307936141       split increased to            2  itime      261071 
   itsplit           1
- acceleration/energy drift too large   6.49481217969686     
-   11.2071435680491       split increased to            2  itime      263381 
+ acceleration/energy drift too large   3.73132968750636     
+   12.7070406502369       split increased to            2  itime      262016 
   itsplit           1
- acceleration/energy drift too large   4.27198667029657     
-   11.5596954068170       split increased to            2  itime      266040 
+ acceleration/energy drift too large   5.13912045107119     
+   15.0972899055288       split increased to            2  itime      263749 
   itsplit           1
- acceleration/energy drift too large   5.21868792250144     
-   17.4978507044932       split increased to            2  itime      266348 
+ acceleration/energy drift too large   7.86486063776132     
+   17.6202122391229       split increased to            2  itime      264940 
   itsplit           1
- acceleration/energy drift too large   4.54105069500913     
-   10.9413175160461       split increased to            2  itime      268163 
+ acceleration/energy drift too large   6.21532916950030     
+   17.2608699248967       split increased to            2  itime      266431 
+  itsplit           1
+ acceleration/energy drift too large   3.73033151712000     
+   11.2947928872528       split increased to            2  itime      269847 
   itsplit           1
 Velocities reset to random values, time            53999.80
- acceleration/energy drift too large   4.47520237806007     
-   10.5872139442920       split increased to            2  itime      270266 
+ acceleration/energy drift too large   3.99540200963912     
+   11.8667209490179       split increased to            2  itime      270182 
   itsplit           1
- acceleration/energy drift too large   8.68736755213388     
-   40.7955209425880       split increased to            2  itime      276849 
+ acceleration/energy drift too large   9.26636066801333     
+   41.8287750555397       split increased to            2  itime      271467 
   itsplit           1
- acceleration/energy drift too large   5.52257193741285     
-   36.3779700496623       split increased to            2  itime      277070 
+ acceleration/energy drift too large   7.12789968032941     
+   24.4758982889634       split increased to            2  itime      271616 
   itsplit           1
-Velocities reset to random values, time            55999.80
- acceleration/energy drift too large   12.7955583010754     
-   66.3241740551414       split increased to            2  itime      282386 
+ acceleration/energy drift too large   5.03595023147757     
+   20.4736188711624       split increased to            2  itime      272923 
+  itsplit           1
+ acceleration/energy drift too large   4.25125100078329     
+   20.1886027671162       split increased to            2  itime      273094 
+  itsplit           1
+ acceleration/energy drift too large   4.75993481613499     
+   11.8001263173960       split increased to            2  itime      274240 
+  itsplit           1
+ acceleration/energy drift too large   3.71357339631975     
+   33.1825902947021       split increased to            2  itime      274301 
+  itsplit           1
+ acceleration/energy drift too large   5.89622793858152     
+   30.1206116496957       split increased to            2  itime      274420 
+  itsplit           1
+ acceleration/energy drift too large   6.77615095227000     
+   13.3108336258807       split increased to            2  itime      275814 
+  itsplit           1
+ acceleration/energy drift too large   6.23632689023794     
+   16.7098632690357       split increased to            2  itime      275856 
+  itsplit           1
+ acceleration/energy drift too large   3.67804550555980     
+   31.4810039435326       split increased to            2  itime      276570 
   itsplit           1
- acceleration/energy drift too large   4.53954051257308     
-   13.6625925037335       split increased to            2  itime      284609 
+ acceleration/energy drift too large   8.45494725703595     
+   23.0536492087727       split increased to            2  itime      277933 
   itsplit           1
- acceleration/energy drift too large   3.62908661756334     
-   11.7762957154061       split increased to            2  itime      286707 
+ acceleration/energy drift too large   5.48911458393291     
+   10.5103165860132       split increased to            2  itime      278844 
   itsplit           1
- acceleration/energy drift too large   5.87899878145218     
-   18.9830523678394       split increased to            2  itime      287476 
+ acceleration/energy drift too large   7.40105036254575     
+   16.0689853102769       split increased to            2  itime      278847 
   itsplit           1
- acceleration/energy drift too large   5.72202157585342     
-   17.6441871558683       split increased to            2  itime      287545 
+ acceleration/energy drift too large   6.10554939066468     
+   40.6718336250730       split increased to            2  itime      279118 
   itsplit           1
- acceleration/energy drift too large   5.82353846167215     
-   25.7418989277909       split increased to            2  itime      289694 
+Velocities reset to random values, time            55999.80
+ acceleration/energy drift too large   3.28537470410276     
+   20.6747400121524       split increased to            2  itime      281765 
+  itsplit           1
+ acceleration/energy drift too large   4.70342065008458     
+   15.9989645918771       split increased to            2  itime      283859 
+  itsplit           1
+ acceleration/energy drift too large   5.84140696777540     
+   20.4774264195300       split increased to            2  itime      284762 
+  itsplit           1
+ acceleration/energy drift too large   2.03082158198540     
+   11.2720725752092       split increased to            2  itime      287493 
+  itsplit           1
+ acceleration/energy drift too large   7.00309966683752     
+   16.0617861935087       split increased to            2  itime      287606 
   itsplit           1
 Velocities reset to random values, time            57999.80
- acceleration/energy drift too large   15.6250661151777     
-   112.558002619151       split increased to            2  itime      290002 
+ acceleration/energy drift too large   6.22308905806400     
+   15.1466023622204       split increased to            2  itime      291339 
   itsplit           1
- acceleration/energy drift too large   2.40479027403814     
-   10.7868576631004       split increased to            4  itime      290002 
+ acceleration/energy drift too large   9.70117018326357     
+   41.4822538094974       split increased to            2  itime      292002 
   itsplit           1
- acceleration/energy drift too large   2.84581148956470     
-   13.0370987762028       split increased to            2  itime      292166 
+ acceleration/energy drift too large   9.75868237189028     
+   63.6387826163161       split increased to            2  itime      292093 
   itsplit           1
- acceleration/energy drift too large   6.62092050527519     
-   20.1587919189670       split increased to            2  itime      293138 
+ acceleration/energy drift too large   6.14325235360887     
+   11.1826495498602       split increased to            2  itime      293284 
   itsplit           1
- acceleration/energy drift too large   5.76492518022225     
-   18.2438244057071       split increased to            2  itime      293205 
+ acceleration/energy drift too large   3.76747310928708     
+   13.4650618907294       split increased to            2  itime      294149 
   itsplit           1
- acceleration/energy drift too large   5.54917977772849     
-   15.2961657441590       split increased to            2  itime      293435 
+ acceleration/energy drift too large   5.01265935279020     
+   11.9943450533954       split increased to            2  itime      294539 
   itsplit           1
- acceleration/energy drift too large   5.17811066067095     
-   12.7562866052431       split increased to            2  itime      294771 
+ acceleration/energy drift too large   9.16741338746442     
+   44.3606984722091       split increased to            2  itime      294839 
   itsplit           1
- acceleration/energy drift too large   5.34021069195665     
-   14.2396695918083       split increased to            2  itime      295077 
+ acceleration/energy drift too large   4.23353641133757     
+   20.9119667288597       split increased to            2  itime      294979 
   itsplit           1
- acceleration/energy drift too large   2.23384526126143     
-   12.3579371949379       split increased to            2  itime      295078 
+ acceleration/energy drift too large   3.53076040140374     
+   11.3639811419579       split increased to            2  itime      294980 
   itsplit           1
- acceleration/energy drift too large   7.08108610859793     
-   33.6379221309422       split increased to            2  itime      295747 
+ acceleration/energy drift too large   7.36707832486697     
+   20.7367661850704       split increased to            2  itime      298157 
   itsplit           1
- acceleration/energy drift too large   6.51059365168459     
-   14.9030755926860       split increased to            2  itime      296334 
+ acceleration/energy drift too large   6.94842563034066     
+   15.5955651015081       split increased to            2  itime      298877 
   itsplit           1
- acceleration/energy drift too large   7.14949008842554     
-   17.0416171390976       split increased to            2  itime      298661 
+ acceleration/energy drift too large   1.65154538894140     
+   10.1972097545943       split increased to            2  itime      298979 
   itsplit           1
- acceleration/energy drift too large   1.23580101900629     
-   10.9024606157959       split increased to            2  itime      299673 
+ acceleration/energy drift too large   7.15185215344458     
+   13.5153996844075       split increased to            2  itime      299251 
   itsplit           1
 Velocities reset to random values, time            59999.80
  REMD synchro at      300000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   99.7070312500000       0.000000000000000E+000
+ REMD gather times=   125.699218750000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.00000    3
-ACC   2   260.00000     0.66667    3
-ACC   3   270.00000     0.33333    3
+ACC   1   250.00000     0.66667    3
+ACC   2   260.00000     0.00000    3
+ACC   3   270.00000     1.00000    3
 ACC   4   280.00000     0.33333    3
-ACC   5   290.00000     0.66667    3
+ACC   5   290.00000     0.33333    3
 ACC   6   300.00000     0.66667    3
 ACC   7   310.00000     0.66667    3
-ACC   8   320.00000     0.33333    3
-ACC   9   330.00000     0.00000    3
+ACC   8   320.00000     0.66667    3
+ACC   9   330.00000     0.33333    3
 ACC  10   340.00000     0.66667    3
-ACC  11   350.00000     0.66667    3
+ACC  11   350.00000     1.00000    3
 ACC  12   360.00000     1.00000    3
-ACC  13   370.00000     1.00000    3
-ACC  14   380.00000     0.33333    3
+ACC  13   370.00000     0.66667    3
+ACC  14   380.00000     1.00000    3
 ACC  15   390.00000     1.00000    3
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
- acceleration/energy drift too large   2.53192077144098     
-   19.4413455747984       split increased to            2  itime      301013 
-  itsplit           1
- acceleration/energy drift too large   2.51846037812669     
-   12.8605085785537       split increased to            2  itime      301750 
+ REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   6.14036705770926     
+   18.0199551501946       split increased to            2  itime      305267 
   itsplit           1
- acceleration/energy drift too large   9.29928641428075     
-   48.1402269734789       split increased to            2  itime      303411 
+ acceleration/energy drift too large   4.26377192331095     
+   13.4952974061908       split increased to            2  itime      305406 
   itsplit           1
- acceleration/energy drift too large   4.20364977433121     
-   14.6152449024260       split increased to            2  itime      303454 
+ acceleration/energy drift too large   5.47006528594019     
+   18.6119922012360       split increased to            2  itime      305913 
   itsplit           1
- acceleration/energy drift too large   5.21187929696737     
-   18.8578322031108       split increased to            2  itime      304135 
+ acceleration/energy drift too large   4.36090742371089     
+   16.0707712500590       split increased to            2  itime      307806 
   itsplit           1
- acceleration/energy drift too large   6.17117200053113     
-   23.3993914473717       split increased to            2  itime      304152 
+ acceleration/energy drift too large   5.78933950278265     
+   15.4887855891323       split increased to            2  itime      308067 
   itsplit           1
- acceleration/energy drift too large   6.19640433418686     
-   17.1605474998751       split increased to            2  itime      306343 
+ acceleration/energy drift too large   6.00010328017043     
+   17.9279340627604       split increased to            2  itime      309665 
   itsplit           1
- acceleration/energy drift too large   5.26089509725546     
-   20.7862513216124       split increased to            2  itime      307409 
+ acceleration/energy drift too large   3.24541600676081     
+   10.2002976141646       split increased to            2  itime      309907 
   itsplit           1
 Velocities reset to random values, time            61999.80
- acceleration/energy drift too large   5.57903895715736     
-   16.9693805596705       split increased to            2  itime      313618 
+ acceleration/energy drift too large   1.57988619191636     
+   15.8076830206352       split increased to            2  itime      310385 
   itsplit           1
- acceleration/energy drift too large   8.20154668993988     
-   18.2821558407760       split increased to            2  itime      315173 
+ acceleration/energy drift too large   8.18014635192363     
+   28.0593848813975       split increased to            2  itime      312985 
   itsplit           1
- acceleration/energy drift too large   5.89061265115339     
-   11.0212145403702       split increased to            2  itime      315967 
+ acceleration/energy drift too large   2.33150861681571     
+   11.4815032368564       split increased to            2  itime      313167 
   itsplit           1
- acceleration/energy drift too large   5.55483825306002     
-   11.0296161317852       split increased to            2  itime      316502 
+ acceleration/energy drift too large   7.86916827700445     
+   30.9957201611157       split increased to            2  itime      314554 
   itsplit           1
- acceleration/energy drift too large   6.36381397484558     
-   18.9648243041679       split increased to            2  itime      316696 
+ acceleration/energy drift too large   10.6617905701826     
+   46.6034537820851       split increased to            2  itime      315154 
   itsplit           1
- acceleration/energy drift too large   13.8799316890061     
-   77.9513504898519       split increased to            2  itime      317010 
-  itsplit           1
- acceleration/energy drift too large   4.71382437526507     
-   14.6403733942144       split increased to            2  itime      318226 
+ acceleration/energy drift too large   3.66440750901955     
+   20.4676098657149       split increased to            2  itime      315481 
   itsplit           1
 Velocities reset to random values, time            63999.80
- acceleration/energy drift too large   7.06715532330402     
-   36.1373384667654       split increased to            2  itime      320167 
-  itsplit           1
- acceleration/energy drift too large   2.08613882028108     
-   12.4508930654809       split increased to            2  itime      321442 
+ acceleration/energy drift too large   2.39463220234441     
+   10.4728553312615       split increased to            2  itime      322451 
   itsplit           1
- acceleration/energy drift too large   4.18546622805350     
-   13.7707092108901       split increased to            2  itime      323480 
+ acceleration/energy drift too large   7.13329635658139     
+   20.2276122837697       split increased to            2  itime      323751 
   itsplit           1
- acceleration/energy drift too large   3.56120653132826     
-   10.8243324314884       split increased to            2  itime      325450 
+ acceleration/energy drift too large   3.12073042991107     
+   23.8058701954618       split increased to            2  itime      324262 
   itsplit           1
-Velocities reset to random values, time            65999.80
- acceleration/energy drift too large   6.18977511014005     
-   25.5028263948053       split increased to            2  itime      334156 
+ acceleration/energy drift too large   4.95127578640813     
+   13.6277428912764       split increased to            2  itime      326405 
   itsplit           1
- acceleration/energy drift too large   4.41248793686944     
-   13.2917100675527       split increased to            2  itime      335181 
+ acceleration/energy drift too large   3.94302510404216     
+   14.3050194790243       split increased to            2  itime      326516 
   itsplit           1
- acceleration/energy drift too large   5.28661996019666     
-   20.4125794168544       split increased to            2  itime      335553 
+ acceleration/energy drift too large   7.70336276126331     
+   30.4653326645627       split increased to            2  itime      327311 
   itsplit           1
- acceleration/energy drift too large   4.88919023988760     
-   26.4223939928684       split increased to            2  itime      336722 
+ acceleration/energy drift too large   2.14945731392158     
+   11.0402503418114       split increased to            2  itime      329749 
   itsplit           1
- acceleration/energy drift too large   3.61877480820579     
-   10.5809614326893       split increased to            2  itime      336919 
+ acceleration/energy drift too large   1.96598025355131     
+   11.1611501389205       split increased to            2  itime      329992 
   itsplit           1
- acceleration/energy drift too large   2.03166239073369     
-   10.2717762346269       split increased to            2  itime      337894 
+Velocities reset to random values, time            65999.80
+ acceleration/energy drift too large   4.51681682489947     
+   19.2612884956617       split increased to            2  itime      331485 
   itsplit           1
- acceleration/energy drift too large   6.30131979908843     
-   11.4638134231309       split increased to            2  itime      338469 
+ acceleration/energy drift too large   6.99338235112554     
+   17.8366713951685       split increased to            2  itime      334848 
   itsplit           1
- acceleration/energy drift too large   6.53471271645322     
-   24.7924758720616       split increased to            2  itime      339013 
+ acceleration/energy drift too large   2.92502706654216     
+   20.2546769500537       split increased to            2  itime      335356 
   itsplit           1
 Velocities reset to random values, time            67999.80
- acceleration/energy drift too large   5.67976060258287     
-   24.3786299724186       split increased to            2  itime      341378 
+ acceleration/energy drift too large   2.96714410237503     
+   18.0797101620718       split increased to            2  itime      340415 
   itsplit           1
- acceleration/energy drift too large   5.25702207459893     
-   14.9462353805653       split increased to            2  itime      342842 
+ acceleration/energy drift too large   4.89200580561368     
+   12.4782613433584       split increased to            2  itime      340717 
   itsplit           1
- acceleration/energy drift too large   4.81853752781595     
-   13.2279708156130       split increased to            2  itime      343352 
+ acceleration/energy drift too large   6.04257981154011     
+   17.8783583247033       split increased to            2  itime      342837 
   itsplit           1
- acceleration/energy drift too large   4.90721937224142     
-   18.0509872729966       split increased to            2  itime      344376 
+ acceleration/energy drift too large   5.62826106164419     
+   12.5200900481570       split increased to            2  itime      343711 
   itsplit           1
- acceleration/energy drift too large   4.29956907624284     
-   13.6206596282588       split increased to            2  itime      344549 
+ acceleration/energy drift too large   5.10306475401487     
+   15.4530311069751       split increased to            2  itime      344168 
   itsplit           1
- acceleration/energy drift too large   4.59395980718048     
-   15.2271088999931       split increased to            2  itime      347319 
+ acceleration/energy drift too large   3.94565809800341     
+   12.5619675057818       split increased to            2  itime      344284 
   itsplit           1
- acceleration/energy drift too large   4.49829120127182     
-   10.7879016556309       split increased to            2  itime      347585 
+ acceleration/energy drift too large   4.15608875696153     
+   13.5389651061581       split increased to            2  itime      345458 
   itsplit           1
- acceleration/energy drift too large   5.09027361759830     
-   17.2688982602830       split increased to            2  itime      347785 
+ acceleration/energy drift too large   2.91810714105702     
+   11.2916217265935       split increased to            2  itime      345531 
   itsplit           1
- acceleration/energy drift too large   5.81214127930400     
-   15.0357252103690       split increased to            2  itime      348090 
+ acceleration/energy drift too large   4.65018698442269     
+   14.8375637397349       split increased to            2  itime      346191 
   itsplit           1
- acceleration/energy drift too large   6.35984527543621     
-   14.6647556979808       split increased to            2  itime      349751 
+ acceleration/energy drift too large   3.28861495752257     
+   23.0785264685811       split increased to            2  itime      348769 
   itsplit           1
 Velocities reset to random values, time            69999.80
- acceleration/energy drift too large   3.20640650973093     
-   21.7427968954456       split increased to            2  itime      350072 
-  itsplit           1
- acceleration/energy drift too large   4.17861446840226     
-   11.4713828130609       split increased to            2  itime      351623 
-  itsplit           1
- acceleration/energy drift too large   5.07632496687076     
-   12.8716124076284       split increased to            2  itime      351904 
-  itsplit           1
- acceleration/energy drift too large   3.84251809860451     
-   15.5715298186739       split increased to            2  itime      351905 
-  itsplit           1
- acceleration/energy drift too large   8.16746267846482     
-   17.7143654005857       split increased to            2  itime      353491 
-  itsplit           1
- acceleration/energy drift too large   3.25014945751703     
-   23.3309474643091       split increased to            2  itime      357020 
+ acceleration/energy drift too large   12.9616498873059     
+   66.4267814274533       split increased to            2  itime      352358 
   itsplit           1
- acceleration/energy drift too large   6.29265421622960     
-   22.2820726973010       split increased to            2  itime      357760 
+ acceleration/energy drift too large   6.07400056543139     
+   18.7799226327284       split increased to            2  itime      356563 
   itsplit           1
- acceleration/energy drift too large   4.84481161380533     
-   10.2537951212078       split increased to            2  itime      359591 
+ acceleration/energy drift too large   3.45844607215838     
+   16.9349894955048       split increased to            2  itime      359360 
   itsplit           1
 Velocities reset to random values, time            71999.80
- acceleration/energy drift too large   3.14049428558424     
-   12.0811186545344       split increased to            2  itime      361700 
+ acceleration/energy drift too large   5.94407265041726     
+   18.6685796854342       split increased to            2  itime      360756 
   itsplit           1
- acceleration/energy drift too large   9.25753862200608     
-   40.0206457308917       split increased to            2  itime      363347 
+ acceleration/energy drift too large   4.70979344926379     
+   11.5727969939442       split increased to            2  itime      360797 
   itsplit           1
- acceleration/energy drift too large   9.92519474797638     
-   49.1126523377728       split increased to            2  itime      365867 
+ acceleration/energy drift too large   9.64906636289422     
+   41.9436076684552       split increased to            2  itime      362960 
   itsplit           1
- acceleration/energy drift too large   5.95494229693293     
-   11.5958881541050       split increased to            2  itime      366058 
+ acceleration/energy drift too large   4.37678529242110     
+   11.6873090123918       split increased to            2  itime      363553 
   itsplit           1
- acceleration/energy drift too large   6.97969677130265     
-   20.6093813276268       split increased to            2  itime      366237 
+ acceleration/energy drift too large   2.77686498537882     
+   16.2459969887775       split increased to            2  itime      364280 
   itsplit           1
- acceleration/energy drift too large   3.88975474968336     
-   12.8035780287080       split increased to            2  itime      367417 
+ acceleration/energy drift too large   7.82079694629768     
+   20.0562560642309       split increased to            2  itime      366028 
   itsplit           1
- acceleration/energy drift too large   11.8287088890422     
-   65.5153000735396       split increased to            2  itime      368013 
+ acceleration/energy drift too large   6.38154922365337     
+   19.2648740453593       split increased to            2  itime      367671 
   itsplit           1
- acceleration/energy drift too large   2.80986346861997     
-   18.3920551207488       split increased to            2  itime      368264 
+ acceleration/energy drift too large   2.98815639133230     
+   18.8168906719715       split increased to            2  itime      368714 
   itsplit           1
-Velocities reset to random values, time            73999.80
- acceleration/energy drift too large   8.32428366239543     
-   26.5810183596208       split increased to            2  itime      370010 
-  itsplit           1
- acceleration/energy drift too large   8.03702587782433     
-   22.5941449358526       split increased to            2  itime      370666 
-  itsplit           1
- acceleration/energy drift too large   5.85650422961428     
-   13.9226944006067       split increased to            2  itime      370766 
+ acceleration/energy drift too large   3.87520211940088     
+   16.3862869932882       split increased to            2  itime      368738 
   itsplit           1
- acceleration/energy drift too large   5.81465233104809     
-   14.6849479953501       split increased to            2  itime      371063 
+ acceleration/energy drift too large   7.33452635636827     
+   22.2992974869247       split increased to            2  itime      369611 
   itsplit           1
- acceleration/energy drift too large   5.19433116171876     
-   12.5372753422716       split increased to            2  itime      371740 
+Velocities reset to random values, time            73999.80
+ acceleration/energy drift too large   4.23353208436053     
+   13.0007702478467       split increased to            2  itime      371854 
   itsplit           1
- acceleration/energy drift too large   2.18531945680517     
-   11.5675363199987       split increased to            2  itime      372048 
+ acceleration/energy drift too large   12.9107381885432     
+   73.9069129695839       split increased to            2  itime      373997 
   itsplit           1
- acceleration/energy drift too large   9.58383690945660     
-   44.4146721972973       split increased to            2  itime      373394 
+ acceleration/energy drift too large   2.56556741948068     
+   12.3639539515507       split increased to            4  itime      373997 
   itsplit           1
- acceleration/energy drift too large   5.89291980041978     
-   21.9624642329448       split increased to            2  itime      374270 
+ acceleration/energy drift too large   3.80366785571198     
+   12.2139021895036       split increased to            2  itime      374953 
   itsplit           1
- acceleration/energy drift too large   4.07611664224216     
-   12.3964594836516       split increased to            2  itime      374767 
+ acceleration/energy drift too large   3.19929708427991     
+   19.4881951369311       split increased to            2  itime      376436 
   itsplit           1
- acceleration/energy drift too large   8.67119610775591     
-   37.8243828410061       split increased to            2  itime      374822 
+ acceleration/energy drift too large   6.81607910776819     
+   25.2599476544377       split increased to            2  itime      377164 
   itsplit           1
- acceleration/energy drift too large   10.1042615211255     
-   45.2099324594044       split increased to            2  itime      375303 
+ acceleration/energy drift too large   8.10144085502464     
+   30.0271609870526       split increased to            2  itime      379412 
   itsplit           1
 Velocities reset to random values, time            75999.80
- acceleration/energy drift too large   5.00467078902445     
-   15.0252961085287       split increased to            2  itime      380208 
-  itsplit           1
- acceleration/energy drift too large   7.02507602571786     
-   14.4408574409482       split increased to            2  itime      380698 
-  itsplit           1
- acceleration/energy drift too large   4.05656269074341     
-   15.3434666358559       split increased to            2  itime      382297 
+ acceleration/energy drift too large   6.32978937783952     
+   15.4512994858330       split increased to            2  itime      383375 
   itsplit           1
- acceleration/energy drift too large   5.84661008795145     
-   11.4152787697294       split increased to            2  itime      382543 
-  itsplit           1
- acceleration/energy drift too large   5.97899538112336     
-   12.9880550602018       split increased to            2  itime      383765 
-  itsplit           1
- acceleration/energy drift too large   7.94013357462852     
-   36.2018773971367       split increased to            2  itime      384277 
-  itsplit           1
- acceleration/energy drift too large   2.63287703951721     
-   17.7044754381835       split increased to            2  itime      385445 
-  itsplit           1
- acceleration/energy drift too large   5.25071730358504     
-   11.4562440229396       split increased to            2  itime      386351 
-  itsplit           1
- acceleration/energy drift too large   5.58392448493530     
-   13.4420032048153       split increased to            2  itime      386660 
-  itsplit           1
- acceleration/energy drift too large   5.70165427021771     
-   16.5640989143913       split increased to            2  itime      386974 
-  itsplit           1
- acceleration/energy drift too large   5.77851075761855     
-   15.2316141027637       split increased to            2  itime      387428 
-  itsplit           1
- acceleration/energy drift too large   5.97309835121525     
-   12.7949166078939       split increased to            2  itime      388103 
+ acceleration/energy drift too large   3.08494460271988     
+   19.1132284606523       split increased to            2  itime      383623 
   itsplit           1
 Velocities reset to random values, time            77999.80
- acceleration/energy drift too large   3.72257984986201     
-   26.6050111101666       split increased to            2  itime      390887 
+ acceleration/energy drift too large   3.53196403810627     
+   26.9094464923746       split increased to            2  itime      391200 
   itsplit           1
- acceleration/energy drift too large   2.47149022914947     
-   12.4257618123714       split increased to            2  itime      391320 
+ acceleration/energy drift too large   5.81718668468991     
+   13.0330358004952       split increased to            2  itime      392321 
   itsplit           1
- acceleration/energy drift too large   11.3644469462140     
-   56.7133348076318       split increased to            2  itime      391679 
+ acceleration/energy drift too large   7.25426995272764     
+   19.8179378851695       split increased to            2  itime      394326 
   itsplit           1
- acceleration/energy drift too large   7.80616972907130     
-   30.1070582806655       split increased to            2  itime      392046 
+ acceleration/energy drift too large   5.68010372457845     
+   19.3336631199910       split increased to            2  itime      395184 
   itsplit           1
- acceleration/energy drift too large   4.63388103866988     
-   13.5517810416969       split increased to            2  itime      393165 
+ acceleration/energy drift too large   7.44491788150884     
+   18.0916627175266       split increased to            2  itime      395697 
   itsplit           1
- acceleration/energy drift too large   3.03605475067617     
-   11.6173461656846       split increased to            2  itime      395442 
+ acceleration/energy drift too large   5.02901589418160     
+   15.2021112595187       split increased to            2  itime      396477 
   itsplit           1
 Velocities reset to random values, time            79999.80
  REMD synchro at      400000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   132.390625000000       0.000000000000000E+000
- REMD writing rst time=  0.000000000000000E+000
- REMD writing traj time=  3.906250000000000E-003
+ REMD gather times=   166.960937500000       0.000000000000000E+000
+ REMD writing rst time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.00000    4
-ACC   2   260.00000     0.50000    4
-ACC   3   270.00000     0.25000    4
+ACC   1   250.00000     0.75000    4
+ACC   2   260.00000     0.00000    4
+ACC   3   270.00000     0.75000    4
 ACC   4   280.00000     0.25000    4
-ACC   5   290.00000     0.50000    4
-ACC   6   300.00000     0.50000    4
-ACC   7   310.00000     0.75000    4
-ACC   8   320.00000     0.25000    4
+ACC   5   290.00000     0.25000    4
+ACC   6   300.00000     0.75000    4
+ACC   7   310.00000     0.50000    4
+ACC   8   320.00000     0.75000    4
 ACC   9   330.00000     0.25000    4
-ACC  10   340.00000     0.50000    4
-ACC  11   350.00000     0.75000    4
+ACC  10   340.00000     0.75000    4
+ACC  11   350.00000     1.00000    4
 ACC  12   360.00000     1.00000    4
 ACC  13   370.00000     0.75000    4
-ACC  14   380.00000     0.50000    4
+ACC  14   380.00000     0.75000    4
 ACC  15   390.00000     1.00000    4
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   2.75697939825263     
-   13.0524836466187       split increased to            2  itime      400008 
+ acceleration/energy drift too large   2.59780856560672     
+   11.0817550876666       split increased to            2  itime      400004 
+  itsplit           1
+ acceleration/energy drift too large   2.44559029483404     
+   10.9124147043117       split increased to            2  itime      400085 
   itsplit           1
- acceleration/energy drift too large   2.89357016363284     
-   13.3173643112923       split increased to            2  itime      400017 
+ acceleration/energy drift too large   5.68818357288487     
+   20.5361782478856       split increased to            2  itime      400400 
   itsplit           1
- acceleration/energy drift too large   4.33082211225894     
-   10.0553610413658       split increased to            2  itime      400029 
+ acceleration/energy drift too large   5.05734016575414     
+   13.6295437219163       split increased to            2  itime      401309 
   itsplit           1
- acceleration/energy drift too large   1.80786753336865     
-   10.8882956791615       split increased to            2  itime      402328 
+ acceleration/energy drift too large   1.86254780196559     
+   10.7681277520174       split increased to            2  itime      401310 
   itsplit           1
- acceleration/energy drift too large   5.72060587527450     
-   34.0840405210860       split increased to            2  itime      403164 
+ acceleration/energy drift too large   5.77747979903795     
+   36.0645897333760       split increased to            2  itime      402402 
   itsplit           1
- acceleration/energy drift too large   2.71590566625076     
-   12.0771425975181       split increased to            2  itime      405211 
+ acceleration/energy drift too large   4.00144038270504     
+   13.8135429047821       split increased to            2  itime      402737 
   itsplit           1
- acceleration/energy drift too large   3.41404958625739     
-   26.4746732757785       split increased to            2  itime      405934 
+ acceleration/energy drift too large   4.29866175957193     
+   10.0976949757903       split increased to            2  itime      404479 
   itsplit           1
- acceleration/energy drift too large   2.66318543473227     
-   18.1055285762532       split increased to            2  itime      406535 
+ acceleration/energy drift too large   6.41008463083451     
+   13.7772260179748       split increased to            2  itime      405234 
+  itsplit           1
+ acceleration/energy drift too large   3.65977818250669     
+   21.5112992670215       split increased to            2  itime      407060 
+  itsplit           1
+ acceleration/energy drift too large   2.90222860612122     
+   17.7471796738947       split increased to            2  itime      407456 
+  itsplit           1
+ acceleration/energy drift too large   1.98624372560750     
+   11.0656152878900       split increased to            2  itime      407903 
+  itsplit           1
+ acceleration/energy drift too large   5.58524217331859     
+   20.8399337375896       split increased to            2  itime      408143 
+  itsplit           1
+ acceleration/energy drift too large   12.5080707399777     
+   81.2621738576996       split increased to            2  itime      408663 
+  itsplit           1
+ acceleration/energy drift too large   4.30164184470336     
+   13.6203251228429       split increased to            2  itime      408809 
+  itsplit           1
+ acceleration/energy drift too large   5.34980338712054     
+   12.4850829533231       split increased to            2  itime      408939 
+  itsplit           1
+ acceleration/energy drift too large   5.31131125255454     
+   26.6891083725577       split increased to            2  itime      409617 
   itsplit           1
 Velocities reset to random values, time            81999.80
- acceleration/energy drift too large   5.42066879496154     
-   14.6179776587684       split increased to            2  itime      411463 
+ acceleration/energy drift too large   6.60630620182258     
+   10.4878867662942       split increased to            2  itime      411464 
+  itsplit           1
+ acceleration/energy drift too large   5.45184442941929     
+   12.1836684769349       split increased to            2  itime      411500 
+  itsplit           1
+ acceleration/energy drift too large   4.49802478305205     
+   16.6749389559801       split increased to            2  itime      412452 
+  itsplit           1
+ acceleration/energy drift too large   2.38876176430168     
+   16.6560142798763       split increased to            2  itime      414243 
+  itsplit           1
+ acceleration/energy drift too large   7.04529849219812     
+   16.3261240936741       split increased to            2  itime      414244 
   itsplit           1
- acceleration/energy drift too large   6.64526887041216     
-   33.5310545803773       split increased to            2  itime      414316 
+ acceleration/energy drift too large   8.08863020950185     
+   16.5372075140584       split increased to            2  itime      414772 
   itsplit           1
- acceleration/energy drift too large   7.24523352115810     
-   18.6621093215062       split increased to            2  itime      415810 
+ acceleration/energy drift too large   2.42346890137440     
+   10.9395480461588       split increased to            2  itime      416362 
   itsplit           1
- acceleration/energy drift too large   4.24389658501114     
-   13.5738446116493       split increased to            2  itime      418335 
+ acceleration/energy drift too large   5.61471500099901     
+   16.4366665797215       split increased to            2  itime      417905 
   itsplit           1
- acceleration/energy drift too large   4.64528256455843     
-   13.3072502401385       split increased to            2  itime      418345 
+ acceleration/energy drift too large   5.79486989965426     
+   14.4840979963871       split increased to            2  itime      418040 
   itsplit           1
- acceleration/energy drift too large   4.53070996475438     
-   13.7081148080877       split increased to            2  itime      419351 
+ acceleration/energy drift too large   3.72297878246984     
+   11.6413738687437       split increased to            2  itime      419003 
   itsplit           1
 Velocities reset to random values, time            83999.80
- acceleration/energy drift too large   2.86219547096365     
-   18.6669122783441       split increased to            2  itime      426021 
+ acceleration/energy drift too large   2.92602109555918     
+   10.8500017082320       split increased to            2  itime      420079 
   itsplit           1
- acceleration/energy drift too large   3.52221595050385     
-   11.8435671942682       split increased to            2  itime      428039 
+ acceleration/energy drift too large   3.03114352899790     
+   12.2362804405950       split increased to            2  itime      420081 
   itsplit           1
- acceleration/energy drift too large   3.38014369306687     
-   13.1618089067319       split increased to            2  itime      428213 
+ acceleration/energy drift too large   2.35295543370644     
+   11.3124450907815       split increased to            2  itime      420151 
   itsplit           1
- acceleration/energy drift too large   5.41074985016532     
-   15.2053101768752       split increased to            2  itime      429484 
+ acceleration/energy drift too large   3.50348613860968     
+   10.5467273708566       split increased to            2  itime      420175 
   itsplit           1
-Velocities reset to random values, time            85999.80
- acceleration/energy drift too large   4.56683486423202     
-   14.1975788818081       split increased to            2  itime      430338 
+ acceleration/energy drift too large   2.82432865426328     
+   10.3113332225141       split increased to            2  itime      420192 
+  itsplit           1
+ acceleration/energy drift too large   2.70656074693697     
+   10.0456760209242       split increased to            2  itime      421552 
   itsplit           1
- acceleration/energy drift too large   4.87635307013063     
-   15.1499964637103       split increased to            2  itime      431278 
+ acceleration/energy drift too large   2.46788759077814     
+   10.1116659626759       split increased to            2  itime      421658 
   itsplit           1
- acceleration/energy drift too large   3.61197232309290     
-   16.5575807318585       split increased to            2  itime      431279 
+ acceleration/energy drift too large   3.67050297705873     
+   10.0962372187293       split increased to            2  itime      426084 
   itsplit           1
- acceleration/energy drift too large   3.13481386839482     
-   11.6301948037740       split increased to            2  itime      431302 
+ acceleration/energy drift too large   3.97684964995184     
+   10.7591533487442       split increased to            2  itime      426299 
   itsplit           1
- acceleration/energy drift too large   6.25507758224206     
-   21.3039098986555       split increased to            2  itime      432048 
+ acceleration/energy drift too large   9.25427866291566     
+   38.2844338203228       split increased to            2  itime      426426 
   itsplit           1
- acceleration/energy drift too large   5.88453268695230     
-   11.0058402101515       split increased to            2  itime      433124 
+ acceleration/energy drift too large   2.68429290102680     
+   10.5141228444183       split increased to            2  itime      429256 
   itsplit           1
- acceleration/energy drift too large   4.09316484627603     
-   12.3446425071448       split increased to            2  itime      433243 
+ acceleration/energy drift too large   5.47483933213597     
+   25.5454150764071       split increased to            2  itime      429395 
+  itsplit           1
+Velocities reset to random values, time            85999.80
+ acceleration/energy drift too large   5.85310064119882     
+   16.4669841887824       split increased to            2  itime      431219 
   itsplit           1
- acceleration/energy drift too large   8.94479783879583     
-   43.7364742727631       split increased to            2  itime      433446 
+ acceleration/energy drift too large   6.61629535889058     
+   14.6407177296350       split increased to            2  itime      431325 
   itsplit           1
- acceleration/energy drift too large   1.51748158213859     
-   15.4390586947897       split increased to            2  itime      435232 
+ acceleration/energy drift too large   4.22037690861979     
+   11.0314101364106       split increased to            2  itime      432636 
   itsplit           1
- acceleration/energy drift too large   3.68150108948370     
-   12.2568588034853       split increased to            2  itime      435566 
+ acceleration/energy drift too large   6.30258627430140     
+   16.7454931917144       split increased to            2  itime      437710 
   itsplit           1
- acceleration/energy drift too large   7.06748032045658     
-   14.7600769311824       split increased to            2  itime      435780 
+ acceleration/energy drift too large   4.93028585222448     
+   10.1146828248222       split increased to            2  itime      438488 
   itsplit           1
 Velocities reset to random values, time            87999.80
- acceleration/energy drift too large   9.16262310792741     
-   36.3615630368509       split increased to            2  itime      441298 
+ acceleration/energy drift too large   5.70381729639942     
+   18.3306074432939       split increased to            2  itime      440031 
   itsplit           1
- acceleration/energy drift too large   5.48606719619940     
-   15.0596724466757       split increased to            2  itime      444295 
+ acceleration/energy drift too large   1.73304160727283     
+   15.2623764747987       split increased to            2  itime      440032 
   itsplit           1
- acceleration/energy drift too large   4.84015990817813     
-   17.5406948404413       split increased to            2  itime      444730 
+ acceleration/energy drift too large   4.56485756154144     
+   10.3226744059756       split increased to            2  itime      441403 
   itsplit           1
- acceleration/energy drift too large   4.22207982611081     
-   10.2829229240336       split increased to            2  itime      444871 
+ acceleration/energy drift too large   8.34392273423473     
+   37.6529947252206       split increased to            2  itime      441652 
   itsplit           1
- acceleration/energy drift too large   6.15694219249526     
-   15.7124984416523       split increased to            2  itime      446294 
+ acceleration/energy drift too large   14.5377310527035     
+   93.8365599058750       split increased to            2  itime      441798 
   itsplit           1
- acceleration/energy drift too large   5.62988281177030     
-   16.1481783408536       split increased to            2  itime      448990 
+ acceleration/energy drift too large   4.80006721709591     
+   12.1840925755445       split increased to            2  itime      441908 
   itsplit           1
- acceleration/energy drift too large   7.79664115997697     
-   24.9403719714308       split increased to            2  itime      449765 
+ acceleration/energy drift too large   4.26879957960456     
+   15.0542603059793       split increased to            2  itime      442136 
   itsplit           1
- acceleration/energy drift too large   6.17724785314965     
-   15.8493424008508       split increased to            2  itime      449956 
+ acceleration/energy drift too large   5.81606763576605     
+   11.3205012944265       split increased to            2  itime      442787 
   itsplit           1
-Velocities reset to random values, time            89999.80
- acceleration/energy drift too large   2.51973282248349     
-   18.6629092977027       split increased to            2  itime      450091 
+ acceleration/energy drift too large   6.68458225828296     
+   16.0269377752747       split increased to            2  itime      443702 
+  itsplit           1
+ acceleration/energy drift too large   1.08876571849410     
+   11.3106978689261       split increased to            2  itime      444787 
   itsplit           1
- acceleration/energy drift too large   5.17258955581520     
-   10.8249572405025       split increased to            2  itime      452354 
+ acceleration/energy drift too large   4.60158225588970     
+   12.8753355128081       split increased to            2  itime      445191 
   itsplit           1
- acceleration/energy drift too large   6.17155120096355     
-   17.5612584281085       split increased to            2  itime      455739 
+ acceleration/energy drift too large   5.71284368271182     
+   13.0441493668053       split increased to            2  itime      446498 
   itsplit           1
- acceleration/energy drift too large   4.97555856384882     
-   10.8756163571003       split increased to            2  itime      455856 
+ acceleration/energy drift too large   4.08975449515228     
+   11.1980395520096       split increased to            2  itime      448765 
   itsplit           1
- acceleration/energy drift too large   9.81698157693734     
-   54.0984981508740       split increased to            2  itime      456054 
+Velocities reset to random values, time            89999.80
+ acceleration/energy drift too large   5.51806760767473     
+   10.0389181763390       split increased to            2  itime      451444 
   itsplit           1
- acceleration/energy drift too large   2.92756035544891     
-   11.9047454280408       split increased to            2  itime      456055 
+ acceleration/energy drift too large   4.89601834431224     
+   15.3498037181972       split increased to            2  itime      451972 
   itsplit           1
- acceleration/energy drift too large   6.71812587682566     
-   20.3870095465312       split increased to            2  itime      458064 
+ acceleration/energy drift too large   6.23720488219205     
+   17.1851054054325       split increased to            2  itime      452084 
   itsplit           1
- acceleration/energy drift too large   3.31250637627925     
-   10.6271393533066       split increased to            2  itime      458740 
+ acceleration/energy drift too large   4.58932054602775     
+   18.7977500343322       split increased to            2  itime      452929 
   itsplit           1
- acceleration/energy drift too large   3.83456281697244     
-   17.2299491750104       split increased to            2  itime      458748 
+ acceleration/energy drift too large   5.56237123733507     
+   12.7913744548320       split increased to            2  itime      453216 
   itsplit           1
- acceleration/energy drift too large   9.32002881073488     
-   30.6291052033207       split increased to            2  itime      459018 
+ acceleration/energy drift too large   3.58279615868732     
+   15.2959406203168       split increased to            2  itime      453219 
   itsplit           1
- acceleration/energy drift too large   11.4376150411343     
-   58.0989945499016       split increased to            2  itime      459119 
+ acceleration/energy drift too large   11.1213772478023     
+   46.3841950544220       split increased to            2  itime      453872 
   itsplit           1
- acceleration/energy drift too large   5.21875602337595     
-   12.9734880434853       split increased to            2  itime      459189 
+ acceleration/energy drift too large   4.13851622806596     
+   10.6780468380809       split increased to            2  itime      454381 
   itsplit           1
- acceleration/energy drift too large   2.58671095366563     
-   10.3744288034681       split increased to            2  itime      459995 
+ acceleration/energy drift too large   3.74630404792018     
+   10.6581469173462       split increased to            2  itime      454481 
+  itsplit           1
+ acceleration/energy drift too large   4.82383104561475     
+   17.6019974643713       split increased to            2  itime      459150 
+  itsplit           1
+ acceleration/energy drift too large   3.45230359857573     
+   23.0707364820223       split increased to            2  itime      459423 
   itsplit           1
 Velocities reset to random values, time            91999.80
- acceleration/energy drift too large   5.80887098126916     
-   15.1779201770570       split increased to            2  itime      460693 
+ acceleration/energy drift too large   7.55651341940125     
+   14.3161472057622       split increased to            2  itime      461291 
   itsplit           1
- acceleration/energy drift too large   6.93012244730581     
-   19.2207599785220       split increased to            2  itime      464138 
+ acceleration/energy drift too large   2.84539568842633     
+   10.0410781864573       split increased to            2  itime      461328 
   itsplit           1
- acceleration/energy drift too large   3.52244928863298     
-   14.1818363426985       split increased to            2  itime      464978 
+ acceleration/energy drift too large   5.09560757168631     
+   24.7295693849353       split increased to            2  itime      461748 
   itsplit           1
- acceleration/energy drift too large   7.90067619008309     
-   22.9679313149680       split increased to            2  itime      465161 
+ acceleration/energy drift too large   8.88064083784093     
+   30.2571500008540       split increased to            2  itime      464140 
   itsplit           1
- acceleration/energy drift too large   3.98877655178798     
-   10.7314055203689       split increased to            2  itime      465163 
+ acceleration/energy drift too large   13.0478806998572     
+   65.6988585618023       split increased to            2  itime      464242 
   itsplit           1
- acceleration/energy drift too large   7.99277574664488     
-   33.8597434713727       split increased to            2  itime      467110 
+ acceleration/energy drift too large   5.73682788280344     
+   14.3504756669256       split increased to            2  itime      464954 
   itsplit           1
- acceleration/energy drift too large   3.28759314972751     
-   20.3166513959201       split increased to            4  itime      467110 
+ acceleration/energy drift too large   7.06956444842371     
+   30.1039942405940       split increased to            2  itime      467521 
   itsplit           1
- acceleration/energy drift too large   2.83147002296540     
-   17.1112967860577       split increased to            2  itime      468234 
+ acceleration/energy drift too large   3.66467429207180     
+   10.9559110978075       split increased to            2  itime      469986 
   itsplit           1
 Velocities reset to random values, time            93999.80
- acceleration/energy drift too large   6.12799161149901     
-   16.2817540422263       split increased to            2  itime      472933 
+ acceleration/energy drift too large   3.19800585602260     
+   21.7405857986595       split increased to            2  itime      470659 
+  itsplit           1
+ acceleration/energy drift too large   8.85430114988912     
+   23.2552825825834       split increased to            2  itime      472016 
+  itsplit           1
+ acceleration/energy drift too large   2.35868460260603     
+   15.3591816065782       split increased to            2  itime      472868 
+  itsplit           1
+ acceleration/energy drift too large   6.00277478241406     
+   13.0879192096663       split increased to            2  itime      473029 
+  itsplit           1
+ acceleration/energy drift too large   6.03556984952876     
+   14.4925823131893       split increased to            2  itime      474235 
   itsplit           1
- acceleration/energy drift too large   3.71309457667795     
-   10.4316240849017       split increased to            2  itime      473065 
+ acceleration/energy drift too large   8.03857879222263     
+   31.3892393963778       split increased to            2  itime      475769 
   itsplit           1
- acceleration/energy drift too large   5.24285519302931     
-   16.3641749187833       split increased to            2  itime      474839 
+ acceleration/energy drift too large   2.68094275793852     
+   14.4922156138871       split increased to            2  itime      476470 
   itsplit           1
- acceleration/energy drift too large   5.95609183667461     
-   12.2524693159952       split increased to            2  itime      475730 
+ acceleration/energy drift too large   1.64801565014529     
+   10.9824660838088       split increased to            2  itime      477499 
   itsplit           1
- acceleration/energy drift too large   2.17620029731013     
-   12.0321030203820       split increased to            2  itime      477373 
+ acceleration/energy drift too large   3.01622375647000     
+   17.5365461156522       split increased to            2  itime      477839 
   itsplit           1
- acceleration/energy drift too large   3.55238581621939     
-   10.5782306966555       split increased to            2  itime      477480 
+ acceleration/energy drift too large   5.67247664914790     
+   17.1511889192023       split increased to            2  itime      478453 
   itsplit           1
- acceleration/energy drift too large   5.16717635938183     
-   11.9111496167451       split increased to            2  itime      478444 
+ acceleration/energy drift too large   4.12416409244210     
+   25.2642031131087       split increased to            2  itime      478670 
+  itsplit           1
+ acceleration/energy drift too large   2.81395930873809     
+   17.9298693833074       split increased to            2  itime      479589 
   itsplit           1
 Velocities reset to random values, time            95999.80
- acceleration/energy drift too large   3.39405989427430     
-   20.7373834516555       split increased to            2  itime      481693 
+ acceleration/energy drift too large   9.71006888965418     
+   43.5334053650288       split increased to            2  itime      482223 
   itsplit           1
- acceleration/energy drift too large   3.66742479336726     
-   10.7717299981624       split increased to            2  itime      486844 
+ acceleration/energy drift too large   2.35740672815709     
+   12.0451634727567       split increased to            4  itime      482223 
   itsplit           1
- acceleration/energy drift too large   10.2748470232557     
-   50.8668993420202       split increased to            2  itime      487283 
+ acceleration/energy drift too large   5.74927957329776     
+   12.6579481794377       split increased to            2  itime      484638 
   itsplit           1
-Velocities reset to random values, time            97999.80
- acceleration/energy drift too large   2.97048002254075     
-   22.7967975465820       split increased to            2  itime      492576 
+ acceleration/energy drift too large   9.78118034494031     
+   28.2828310451464       split increased to            2  itime      484728 
+  itsplit           1
+ acceleration/energy drift too large   9.68267321371970     
+   42.3593847883843       split increased to            2  itime      485494 
+  itsplit           1
+ acceleration/energy drift too large   4.42579350401370     
+   10.2725395270998       split increased to            2  itime      485716 
+  itsplit           1
+ acceleration/energy drift too large   3.18339360769986     
+   10.8570910218073       split increased to            2  itime      485728 
+  itsplit           1
+ acceleration/energy drift too large   6.44442385760056     
+   18.6106258336047       split increased to            2  itime      486176 
   itsplit           1
- acceleration/energy drift too large   8.25480757431339     
-   35.4437273983083       split increased to            2  itime      493127 
+ acceleration/energy drift too large   6.51892020255872     
+   32.4813134923197       split increased to            2  itime      486369 
   itsplit           1
- acceleration/energy drift too large   4.81055367287405     
-   14.8398315662633       split increased to            2  itime      494191 
+ acceleration/energy drift too large   4.22000676048773     
+   13.6083323510623       split increased to            2  itime      488965 
   itsplit           1
- acceleration/energy drift too large   4.72297582815352     
-   15.8369394411336       split increased to            2  itime      494498 
+Velocities reset to random values, time            97999.80
+ acceleration/energy drift too large   11.3922384870131     
+   56.5788223971007       split increased to            2  itime      492841 
+  itsplit           1
+ acceleration/energy drift too large   8.92256670559727     
+   22.8244283306071       split increased to            2  itime      494693 
+  itsplit           1
+ acceleration/energy drift too large   2.39202541132213     
+   12.9894383674737       split increased to            2  itime      495760 
   itsplit           1
- acceleration/energy drift too large   8.10446199524925     
-   31.1178472343974       split increased to            2  itime      497107 
+ acceleration/energy drift too large   7.61856327644377     
+   24.5816129369387       split increased to            2  itime      496465 
   itsplit           1
- acceleration/energy drift too large  0.267636046674551     
-   26.2013300295420       split increased to            2  itime      497108 
+ acceleration/energy drift too large   6.63742434934600     
+   18.8972686128190       split increased to            2  itime      497485 
   itsplit           1
- acceleration/energy drift too large   6.80240558278473     
-   19.5634041066986       split increased to            2  itime      497769 
+ acceleration/energy drift too large   4.91149919597901     
+   12.6508427238783       split increased to            2  itime      498339 
   itsplit           1
- acceleration/energy drift too large   11.0623185988515     
-   45.3833127988240       split increased to            2  itime      499422 
+ acceleration/energy drift too large   8.14744608405261     
+   15.1582373108203       split increased to            2  itime      498340 
   itsplit           1
 Velocities reset to random values, time            99999.80
  REMD synchro at      500000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   165.031250000000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD gather times=   208.019531250000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.00000    5
-ACC   2   260.00000     0.40000    5
-ACC   3   270.00000     0.20000    5
-ACC   4   280.00000     0.20000    5
-ACC   5   290.00000     0.40000    5
+ACC   1   250.00000     0.60000    5
+ACC   2   260.00000     0.20000    5
+ACC   3   270.00000     0.60000    5
+ACC   4   280.00000     0.40000    5
+ACC   5   290.00000     0.20000    5
 ACC   6   300.00000     0.60000    5
-ACC   7   310.00000     0.80000    5
-ACC   8   320.00000     0.40000    5
-ACC   9   330.00000     0.40000    5
-ACC  10   340.00000     0.40000    5
-ACC  11   350.00000     0.80000    5
+ACC   7   310.00000     0.60000    5
+ACC   8   320.00000     0.80000    5
+ACC   9   330.00000     0.20000    5
+ACC  10   340.00000     0.80000    5
+ACC  11   350.00000     1.00000    5
 ACC  12   360.00000     1.00000    5
 ACC  13   370.00000     0.80000    5
-ACC  14   380.00000     0.60000    5
+ACC  14   380.00000     0.80000    5
 ACC  15   390.00000     1.00000    5
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   3.77566641447683     
-   10.7238075148474       split increased to            2  itime      500091 
+ acceleration/energy drift too large   2.29854593647179     
+   15.8073991672753       split increased to            2  itime      502036 
+  itsplit           1
+ acceleration/energy drift too large   2.68244123688550     
+   14.3841304167236       split increased to            2  itime      505566 
   itsplit           1
- acceleration/energy drift too large   1.81605423239288     
-   12.0670870128893       split increased to            2  itime      502176 
+ acceleration/energy drift too large   4.65532954366415     
+   14.4118693418659       split increased to            2  itime      506140 
   itsplit           1
- acceleration/energy drift too large   6.25484500145608     
-   12.8422748295443       split increased to            2  itime      504594 
+ acceleration/energy drift too large   4.61616847401486     
+   16.0163330007229       split increased to            2  itime      506641 
   itsplit           1
- acceleration/energy drift too large   9.66695152602009     
-   32.7243279335402       split increased to            2  itime      505585 
+ acceleration/energy drift too large   4.44252398805343     
+   26.3863252590741       split increased to            2  itime      506748 
   itsplit           1
- acceleration/energy drift too large   2.73240742849934     
-   15.0084886123738       split increased to            2  itime      505955 
+ acceleration/energy drift too large   13.9011689252740     
+   91.4367517490967       split increased to            2  itime      507465 
   itsplit           1
- acceleration/energy drift too large   7.67899725889505     
-   15.5361523432190       split increased to            2  itime      506874 
+ acceleration/energy drift too large   5.13146849765083     
+   18.2873924962788       split increased to            2  itime      508916 
   itsplit           1
- acceleration/energy drift too large   9.18387690566259     
-   38.2347719377930       split increased to            2  itime      507634 
+ acceleration/energy drift too large   4.95627043395891     
+   18.0115126956180       split increased to            2  itime      509723 
   itsplit           1
 Velocities reset to random values, time           101999.80
- acceleration/energy drift too large   6.48238352576090     
-   11.8491601723731       split increased to            2  itime      510396 
+ acceleration/energy drift too large   3.84433703809153     
+   22.5672088375248       split increased to            2  itime      510507 
   itsplit           1
- acceleration/energy drift too large   7.71170690764651     
-   25.5151817583333       split increased to            2  itime      511147 
+ acceleration/energy drift too large   6.53086514334016     
+   18.2161751623721       split increased to            2  itime      511824 
   itsplit           1
- acceleration/energy drift too large   2.85291054789190     
-   10.9258433276666       split increased to            2  itime      511476 
+ acceleration/energy drift too large   7.48775850056174     
+   13.2996337620537       split increased to            2  itime      511999 
   itsplit           1
- acceleration/energy drift too large   2.50824810910345     
-   10.8047902925353       split increased to            2  itime      511512 
+ acceleration/energy drift too large   4.83672405247937     
+   12.3172285924762       split increased to            2  itime      512064 
   itsplit           1
- acceleration/energy drift too large   1.73245132085787     
-   12.4227506203437       split increased to            2  itime      511517 
+ acceleration/energy drift too large   2.01039213881941     
+   10.5616899804902       split increased to            2  itime      513320 
   itsplit           1
- acceleration/energy drift too large   4.32423962453880     
-   12.9962603609304       split increased to            2  itime      511521 
+ acceleration/energy drift too large   5.69768130593826     
+   11.7203499283889       split increased to            2  itime      513345 
   itsplit           1
- acceleration/energy drift too large   5.86745866602790     
-   12.9483551982089       split increased to            2  itime      512500 
+ acceleration/energy drift too large   10.4388962180242     
+   17.0499232887529       split increased to            2  itime      515387 
   itsplit           1
- acceleration/energy drift too large   3.55908775959214     
-   17.7860397930287       split increased to            2  itime      512580 
+ acceleration/energy drift too large   2.00605906306598     
+   11.2345656324404       split increased to            2  itime      518083 
   itsplit           1
- acceleration/energy drift too large   3.84386224883543     
-   12.2154681814165       split increased to            2  itime      513588 
+ acceleration/energy drift too large   5.22358263004173     
+   10.3120136805115       split increased to            2  itime      518914 
   itsplit           1
- acceleration/energy drift too large   4.74674639151494     
-   15.1042521044617       split increased to            2  itime      516325 
+ acceleration/energy drift too large   7.04738263776422     
+   25.8308135932592       split increased to            2  itime      519452 
   itsplit           1
- acceleration/energy drift too large   9.29483728837896     
-   36.4169691840827       split increased to            2  itime      519509 
+ acceleration/energy drift too large   6.19172046198573     
+   18.5340625898011       split increased to            2  itime      519610 
   itsplit           1
 Velocities reset to random values, time           103999.80
- acceleration/energy drift too large   1.94614021952267     
-   12.9233332492159       split increased to            2  itime      522358 
+ acceleration/energy drift too large   9.15583984836490     
+   40.7986540351518       split increased to            2  itime      520138 
+  itsplit           1
+ acceleration/energy drift too large   6.11449440120927     
+   21.9391804943868       split increased to            2  itime      520740 
+  itsplit           1
+ acceleration/energy drift too large   6.63329310400782     
+   10.7404114349471       split increased to            2  itime      522426 
+  itsplit           1
+ acceleration/energy drift too large   4.54392573270688     
+   20.3173990323092       split increased to            2  itime      522875 
+  itsplit           1
+ acceleration/energy drift too large   4.32796781107870     
+   12.5181272050320       split increased to            2  itime      523912 
+  itsplit           1
+ acceleration/energy drift too large   2.86690969790619     
+   17.3250199877835       split increased to            2  itime      524531 
+  itsplit           1
+ acceleration/energy drift too large   2.66042351249967     
+   17.4602906145521       split increased to            2  itime      524635 
+  itsplit           1
+ acceleration/energy drift too large   3.03376260683306     
+   12.1273042308087       split increased to            2  itime      524866 
+  itsplit           1
+ acceleration/energy drift too large   15.5665566425656     
+   92.1298350872707       split increased to            2  itime      525065 
+  itsplit           1
+ acceleration/energy drift too large   3.80566670085703     
+   22.6288017754922       split increased to            4  itime      525065 
+  itsplit           2
+ acceleration/energy drift too large   3.21188065043649     
+   24.1923887637083       split increased to            2  itime      525241 
+  itsplit           1
+ acceleration/energy drift too large   5.33488332081674     
+   23.3004088071154       split increased to            2  itime      525341 
   itsplit           1
- acceleration/energy drift too large   4.05742519130383     
-   10.5663702048734       split increased to            2  itime      523656 
+ acceleration/energy drift too large   7.76754853743968     
+   16.6916320522963       split increased to            2  itime      525908 
   itsplit           1
- acceleration/energy drift too large   7.05909853984071     
-   21.2796849384083       split increased to            2  itime      523712 
+ acceleration/energy drift too large   3.51661705443787     
+   15.3784899372868       split increased to            2  itime      526521 
   itsplit           1
- acceleration/energy drift too large   7.49638285606095     
-   12.2699024435589       split increased to            2  itime      527691 
+ acceleration/energy drift too large   2.73003779070210     
+   13.3923824299512       split increased to            2  itime      526523 
   itsplit           1
- acceleration/energy drift too large   13.3057779154270     
-   99.8031404983743       split increased to            2  itime      528923 
+ acceleration/energy drift too large   6.12758198296207     
+   10.0770873123538       split increased to            2  itime      526549 
+  itsplit           1
+ acceleration/energy drift too large   5.83522560849220     
+   17.7403573889444       split increased to            2  itime      527116 
+  itsplit           1
+ acceleration/energy drift too large   2.21808198084933     
+   12.4536597915259       split increased to            2  itime      527830 
+  itsplit           1
+ acceleration/energy drift too large   3.54022489694818     
+   19.2599963082361       split increased to            2  itime      527909 
+  itsplit           1
+ acceleration/energy drift too large   4.06285054297691     
+   19.1489856324852       split increased to            2  itime      528239 
+  itsplit           1
+ acceleration/energy drift too large   2.85156090899884     
+   10.6591170184129       split increased to            2  itime      528276 
+  itsplit           1
+ acceleration/energy drift too large   13.3122186917888     
+   58.2408829202785       split increased to            2  itime      528541 
+  itsplit           1
+ acceleration/energy drift too large   7.79023291509361     
+   31.1485033964163       split increased to            2  itime      529199 
   itsplit           1
 Velocities reset to random values, time           105999.80
- acceleration/energy drift too large   7.12573580680934     
-   16.4668084821503       split increased to            2  itime      533280 
+ acceleration/energy drift too large   6.59343638359191     
+   16.0513201315544       split increased to            2  itime      530268 
+  itsplit           1
+ acceleration/energy drift too large   8.85202539207420     
+   44.5376898943888       split increased to            2  itime      530291 
+  itsplit           1
+ acceleration/energy drift too large   4.81385816112243     
+   10.6340948695958       split increased to            2  itime      530811 
+  itsplit           1
+ acceleration/energy drift too large   9.06408743292701     
+   25.8810638485329       split increased to            2  itime      532658 
+  itsplit           1
+ acceleration/energy drift too large   5.02182857275473     
+   13.2090626658142       split increased to            2  itime      534174 
+  itsplit           1
+ acceleration/energy drift too large   5.25592004135374     
+   14.6332175954952       split increased to            2  itime      534685 
   itsplit           1
- acceleration/energy drift too large   2.97459302962058     
-   19.0973797061808       split increased to            2  itime      533323 
+ acceleration/energy drift too large   5.94402458606601     
+   15.8103851457932       split increased to            2  itime      534892 
   itsplit           1
- acceleration/energy drift too large   8.93166103554391     
-   35.5212562729418       split increased to            2  itime      535919 
+ acceleration/energy drift too large   6.48915610908048     
+   20.0008050779865       split increased to            2  itime      536365 
   itsplit           1
- acceleration/energy drift too large   6.07686697738167     
-   20.1696957626017       split increased to            2  itime      536503 
+ acceleration/energy drift too large   4.30127268318257     
+   12.1895806718313       split increased to            2  itime      537042 
   itsplit           1
- acceleration/energy drift too large   4.71818885273344     
-   13.1572235188515       split increased to            2  itime      538149 
+ acceleration/energy drift too large   5.48928458328062     
+   36.5066510782668       split increased to            2  itime      537205 
+  itsplit           1
+ acceleration/energy drift too large   2.91571466978629     
+   13.4079047611202       split increased to            2  itime      537533 
+  itsplit           1
+ acceleration/energy drift too large   5.39977600716001     
+   15.2279870706319       split increased to            2  itime      537539 
+  itsplit           1
+ acceleration/energy drift too large   2.79465510892675     
+   16.6651450561997       split increased to            2  itime      537798 
+  itsplit           1
+ acceleration/energy drift too large   2.79938696306419     
+   21.4801998874201       split increased to            2  itime      538120 
+  itsplit           1
+ acceleration/energy drift too large   3.75652088495072     
+   21.9522487755563       split increased to            2  itime      539655 
   itsplit           1
 Velocities reset to random values, time           107999.80
- acceleration/energy drift too large   3.75630996287576     
-   10.1256079986975       split increased to            2  itime      541791 
+ acceleration/energy drift too large   4.69218036690820     
+   25.9261383152055       split increased to            2  itime      540378 
+  itsplit           1
+ acceleration/energy drift too large   3.27370905349800     
+   14.7554083915639       split increased to            2  itime      540379 
+  itsplit           1
+ acceleration/energy drift too large   2.87479692619505     
+   10.3031639317353       split increased to            2  itime      540693 
   itsplit           1
- acceleration/energy drift too large   4.16168183887330     
-   10.4379141782681       split increased to            2  itime      541967 
+ acceleration/energy drift too large   7.45087913017497     
+   16.8838572606227       split increased to            2  itime      540903 
   itsplit           1
- acceleration/energy drift too large   8.36424392096603     
-   25.5264395697965       split increased to            2  itime      544481 
+ acceleration/energy drift too large   9.13934273600370     
+   14.5424832901503       split increased to            2  itime      541586 
   itsplit           1
- acceleration/energy drift too large   2.18214795867128     
-   12.3423977686499       split increased to            2  itime      544606 
+ acceleration/energy drift too large   3.28878330811168     
+   14.0668966944636       split increased to            2  itime      543429 
   itsplit           1
- acceleration/energy drift too large   6.11230313252370     
-   10.2980171113942       split increased to            2  itime      545485 
+ acceleration/energy drift too large   7.10176764303912     
+   24.9810693167586       split increased to            2  itime      543553 
   itsplit           1
- acceleration/energy drift too large   6.09639594585531     
-   13.9433008601488       split increased to            2  itime      548873 
+ acceleration/energy drift too large   3.67518507545133     
+   15.7115257943942       split increased to            2  itime      545570 
+  itsplit           1
+ acceleration/energy drift too large   1.82763923355613     
+   10.6430662085738       split increased to            2  itime      547010 
+  itsplit           1
+ acceleration/energy drift too large   6.79709874604756     
+   14.5338016910421       split increased to            2  itime      547780 
+  itsplit           1
+ acceleration/energy drift too large   8.66740940004443     
+   46.2577262639354       split increased to            2  itime      548806 
   itsplit           1
 Velocities reset to random values, time           109999.80
- acceleration/energy drift too large   3.14951643347623     
-   25.6276292725509       split increased to            2  itime      550695 
+ acceleration/energy drift too large   6.98031515830752     
+   16.3681412044044       split increased to            2  itime      550805 
+  itsplit           1
+ acceleration/energy drift too large   5.56466717964789     
+   10.6893576160746       split increased to            2  itime      551560 
+  itsplit           1
+ acceleration/energy drift too large   8.66722800102975     
+   34.4091533001656       split increased to            2  itime      552626 
+  itsplit           1
+ acceleration/energy drift too large   5.95206494199864     
+   11.2952160044880       split increased to            2  itime      553204 
   itsplit           1
- acceleration/energy drift too large   7.02960419714377     
-   18.8561400520681       split increased to            2  itime      551301 
+ acceleration/energy drift too large   2.35136563570144     
+   13.2945253411659       split increased to            2  itime      554126 
   itsplit           1
- acceleration/energy drift too large   7.14228773201681     
-   23.5476630665799       split increased to            2  itime      554665 
+ acceleration/energy drift too large   11.9223534725259     
+   79.4676007348885       split increased to            2  itime      555534 
   itsplit           1
- acceleration/energy drift too large   4.12087956553715     
-   11.9930039024221       split increased to            2  itime      554885 
+ acceleration/energy drift too large   2.67477582364081     
+   16.0805512160547       split increased to            2  itime      555712 
   itsplit           1
- acceleration/energy drift too large   2.88602896099044     
-   16.7821448174739       split increased to            2  itime      555076 
+ acceleration/energy drift too large   3.05331615230430     
+   21.6011469271110       split increased to            2  itime      557780 
   itsplit           1
- acceleration/energy drift too large   7.72305722694089     
-   30.2566704130269       split increased to            2  itime      557319 
+ acceleration/energy drift too large   1.90693733319519     
+   16.6227389467311       split increased to            2  itime      557888 
   itsplit           1
- acceleration/energy drift too large   2.75770327891020     
-   20.5465634536640       split increased to            2  itime      558087 
+ acceleration/energy drift too large   4.68712896029507     
+   23.3016288899550       split increased to            2  itime      557889 
   itsplit           1
- acceleration/energy drift too large   5.81487900439299     
-   34.4371923880224       split increased to            2  itime      559463 
+ acceleration/energy drift too large   5.97999828190783     
+   15.6192571238231       split increased to            2  itime      558809 
+  itsplit           1
+ acceleration/energy drift too large   2.96730456950088     
+   15.6387284064022       split increased to            4  itime      558809 
+  itsplit           1
+ acceleration/energy drift too large   4.59198521960932     
+   13.7940417166715       split increased to            2  itime      559360 
   itsplit           1
 Velocities reset to random values, time           111999.80
- acceleration/energy drift too large   5.51873690448537     
-   14.1345255831394       split increased to            2  itime      561097 
+ acceleration/energy drift too large   2.35422885529428     
+   12.3844122229284       split increased to            2  itime      560597 
   itsplit           1
- acceleration/energy drift too large   5.93704580702400     
-   15.3490474761184       split increased to            2  itime      561499 
+ acceleration/energy drift too large   2.07645355591264     
+   12.2378076716551       split increased to            2  itime      561389 
   itsplit           1
- acceleration/energy drift too large   4.33718543330957     
-   11.8173651085518       split increased to            2  itime      562819 
+ acceleration/energy drift too large   2.05634760347692     
+   15.0578788967549       split increased to            2  itime      561773 
   itsplit           1
- acceleration/energy drift too large   6.70822833933985     
-   28.6972700964068       split increased to            2  itime      567371 
+ acceleration/energy drift too large   1.42048036885650     
+   13.9729052444533       split increased to            2  itime      561774 
   itsplit           1
- acceleration/energy drift too large   4.10636763316790     
-   11.4374656605769       split increased to            2  itime      567611 
+ acceleration/energy drift too large   8.48943980437466     
+   32.9077199343050       split increased to            2  itime      562016 
   itsplit           1
- acceleration/energy drift too large   6.52020518311591     
-   28.5230633630081       split increased to            2  itime      569038 
+ acceleration/energy drift too large   5.30527770550581     
+   17.7444499326357       split increased to            2  itime      562083 
   itsplit           1
- acceleration/energy drift too large   6.60596293696611     
-   13.4729101347778       split increased to            2  itime      569986 
+ acceleration/energy drift too large   2.88916388335188     
+   17.6869812212281       split increased to            2  itime      562216 
   itsplit           1
-Velocities reset to random values, time           113999.80
- acceleration/energy drift too large   6.16650742687397     
-   17.1187976768187       split increased to            2  itime      570791 
+ acceleration/energy drift too large   3.59941094123962     
+   16.1052811475477       split increased to            2  itime      562866 
   itsplit           1
- acceleration/energy drift too large   5.81595819375719     
-   33.6876249207585       split increased to            2  itime      571049 
+ acceleration/energy drift too large   2.39924592935212     
+   13.1506650427648       split increased to            2  itime      563401 
   itsplit           1
- acceleration/energy drift too large   4.92754648839650     
-   10.4009251083591       split increased to            2  itime      572758 
+ acceleration/energy drift too large   4.58747319947896     
+   10.8645422531091       split increased to            2  itime      567695 
   itsplit           1
- acceleration/energy drift too large   5.43010498115899     
-   15.6895950483786       split increased to            2  itime      572943 
+ acceleration/energy drift too large   5.17856857583628     
+   15.5385825169482       split increased to            2  itime      567770 
   itsplit           1
- acceleration/energy drift too large   11.5811899291733     
-   57.6197376622282       split increased to            2  itime      574287 
+ acceleration/energy drift too large   2.62603418418936     
+   13.2701379553715       split increased to            2  itime      569146 
   itsplit           1
- acceleration/energy drift too large   5.01418524016022     
-   30.1414484501716       split increased to            2  itime      574624 
+ acceleration/energy drift too large   5.76454091570550     
+   17.5633387139892       split increased to            2  itime      569961 
   itsplit           1
- acceleration/energy drift too large   7.28341247310506     
-   22.5838890142601       split increased to            2  itime      578373 
+Velocities reset to random values, time           113999.80
+ acceleration/energy drift too large   3.12444653347003     
+   23.0348432841966       split increased to            2  itime      570383 
   itsplit           1
-Velocities reset to random values, time           115999.80
- acceleration/energy drift too large   7.63567231135485     
-   23.6315850161817       split increased to            2  itime      581731 
+ acceleration/energy drift too large   5.57240800016863     
+   14.3438953539638       split increased to            2  itime      571543 
+  itsplit           1
+ acceleration/energy drift too large   6.07292006609762     
+   11.0777211419461       split increased to            2  itime      573381 
   itsplit           1
- acceleration/energy drift too large   7.18450983709880     
-   12.5686844287206       split increased to            2  itime      582504 
+ acceleration/energy drift too large   2.28093411665101     
+   10.4660672106310       split increased to            2  itime      574212 
   itsplit           1
- acceleration/energy drift too large   4.12549209203829     
-   13.4887945902087       split increased to            2  itime      582505 
+ acceleration/energy drift too large   6.53241140843577     
+   19.1558542404852       split increased to            2  itime      576438 
   itsplit           1
- acceleration/energy drift too large   4.04250130132424     
-   18.5450614825182       split increased to            2  itime      582688 
+ acceleration/energy drift too large   5.68789008951812     
+   14.0658460157882       split increased to            2  itime      577705 
   itsplit           1
- acceleration/energy drift too large   4.62052879128259     
-   14.2350229853183       split increased to            2  itime      582931 
+ acceleration/energy drift too large   8.20097815367452     
+   36.8902960307492       split increased to            2  itime      578473 
   itsplit           1
- acceleration/energy drift too large   3.77335811095739     
-   25.1209557916056       split increased to            2  itime      584497 
+ acceleration/energy drift too large   1.51425958160191     
+   13.1804138702093       split increased to            2  itime      578545 
   itsplit           1
- acceleration/energy drift too large   11.0394355863216     
-   50.5091819611701       split increased to            2  itime      585171 
+ acceleration/energy drift too large   5.37370806534808     
+   14.3785070914200       split increased to            2  itime      579708 
   itsplit           1
- acceleration/energy drift too large   4.60178044298010     
-   26.8631717669138       split increased to            2  itime      585322 
+Velocities reset to random values, time           115999.80
+ acceleration/energy drift too large   6.96646248262088     
+   12.8563205428295       split increased to            2  itime      580371 
+  itsplit           1
+ acceleration/energy drift too large   8.54330576346264     
+   32.4804116759017       split increased to            2  itime      580466 
   itsplit           1
- acceleration/energy drift too large   7.49146255758274     
-   15.4641363122809       split increased to            2  itime      585325 
+ acceleration/energy drift too large   2.69589584217436     
+   15.2144147449625       split increased to            2  itime      584088 
   itsplit           1
- acceleration/energy drift too large   7.79025317004341     
-   11.6300333990511       split increased to            2  itime      585434 
+ acceleration/energy drift too large   2.30350853608901     
+   12.3126092757199       split increased to            2  itime      584625 
   itsplit           1
- acceleration/energy drift too large   6.86559977736178     
-   19.5698570587612       split increased to            2  itime      585629 
+ acceleration/energy drift too large   4.01504169354178     
+   12.2130902509090       split increased to            2  itime      588313 
   itsplit           1
- acceleration/energy drift too large   6.36550204305350     
-   16.2700352761409       split increased to            2  itime      587690 
+ acceleration/energy drift too large   4.38807970078082     
+   20.6770918114537       split increased to            2  itime      589944 
   itsplit           1
 Velocities reset to random values, time           117999.80
- acceleration/energy drift too large   8.89135460908539     
-   36.2561371385500       split increased to            2  itime      590720 
+ acceleration/energy drift too large   6.71897035978137     
+   28.4205738302086       split increased to            2  itime      592709 
+  itsplit           1
+ acceleration/energy drift too large   1.49105938446176     
+   13.6849763065613       split increased to            2  itime      593951 
   itsplit           1
- acceleration/energy drift too large   5.25091769158385     
-   16.2387946362681       split increased to            2  itime      591002 
+ acceleration/energy drift too large   4.87540020038454     
+   10.5344347514523       split increased to            2  itime      595391 
   itsplit           1
- acceleration/energy drift too large   5.88105405491799     
-   11.6996835445240       split increased to            2  itime      593177 
+ acceleration/energy drift too large   6.37401459263186     
+   16.5042090427831       split increased to            2  itime      595734 
   itsplit           1
- acceleration/energy drift too large   4.73574424823329     
-   15.3735837402518       split increased to            2  itime      593252 
+ acceleration/energy drift too large   14.1035717005955     
+   75.1750417367117       split increased to            2  itime      596405 
   itsplit           1
- acceleration/energy drift too large   4.21880362217025     
-   12.5255294845599       split increased to            2  itime      594388 
+ acceleration/energy drift too large   2.89892918912561     
+   13.0401003630253       split increased to            4  itime      596405 
   itsplit           1
- acceleration/energy drift too large   5.56002113442552     
-   16.7093882841972       split increased to            2  itime      597556 
+ acceleration/energy drift too large   4.84936774104886     
+   12.7318493527923       split increased to            2  itime      597704 
   itsplit           1
- acceleration/energy drift too large   10.2462413108095     
-   47.9274431681622       split increased to            2  itime      599675 
+ acceleration/energy drift too large   8.60165584802023     
+   29.0098303557514       split increased to            2  itime      598337 
   itsplit           1
- acceleration/energy drift too large   1.38654148498814     
-   10.6980090434780       split increased to            2  itime      599676 
+ acceleration/energy drift too large   9.63496183633879     
+   53.3706950189951       split increased to            2  itime      599676 
   itsplit           1
 Velocities reset to random values, time           119999.80
  REMD synchro at      600000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   198.054687500000       0.000000000000000E+000
+ REMD gather times=   249.179687500000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  3.906250000000000E-003
+ REMD writing traj time=  0.000000000000000E+000
  NREP          16
-ACC   1   250.00000     0.00000    6
+ACC   1   250.00000     0.50000    6
 ACC   2   260.00000     0.33333    6
-ACC   3   270.00000     0.16667    6
+ACC   3   270.00000     0.50000    6
 ACC   4   280.00000     0.33333    6
 ACC   5   290.00000     0.33333    6
-ACC   6   300.00000     0.66667    6
-ACC   7   310.00000     0.83333    6
-ACC   8   320.00000     0.50000    6
-ACC   9   330.00000     0.33333    6
-ACC  10   340.00000     0.50000    6
+ACC   6   300.00000     0.50000    6
+ACC   7   310.00000     0.66667    6
+ACC   8   320.00000     0.83333    6
+ACC   9   330.00000     0.16667    6
+ACC  10   340.00000     0.83333    6
 ACC  11   350.00000     0.83333    6
-ACC  12   360.00000     0.83333    6
+ACC  12   360.00000     1.00000    6
 ACC  13   370.00000     0.83333    6
-ACC  14   380.00000     0.66667    6
+ACC  14   380.00000     0.83333    6
 ACC  15   390.00000     1.00000    6
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  7.812500000000000E-003
- acceleration/energy drift too large   3.96322220162837     
-   10.2323964618884       split increased to            2  itime      600714 
-  itsplit           1
- acceleration/energy drift too large   4.41859043403412     
-   15.1524076438958       split increased to            2  itime      601087 
-  itsplit           1
- acceleration/energy drift too large   2.89806266280132     
-   10.7781697349246       split increased to            2  itime      601108 
-  itsplit           1
- acceleration/energy drift too large   6.56921209787100     
-   13.7628889654595       split increased to            2  itime      602138 
-  itsplit           1
- acceleration/energy drift too large   5.49701274414760     
-   10.4468185257906       split increased to            2  itime      602914 
+ REMD exchange time=  3.906250000000000E-003
+ acceleration/energy drift too large   6.41276825986567     
+   26.4277149156826       split increased to            2  itime      600320 
   itsplit           1
- acceleration/energy drift too large   3.39184834133846     
-   26.4045482290246       split increased to            2  itime      603939 
+ acceleration/energy drift too large   10.6976883010763     
+   48.1606203208920       split increased to            2  itime      600549 
   itsplit           1
- acceleration/energy drift too large   2.42760197305469     
-   11.4142674444805       split increased to            2  itime      606060 
+ acceleration/energy drift too large   10.8196055611741     
+   56.1981159295086       split increased to            2  itime      603701 
   itsplit           1
- acceleration/energy drift too large   5.93869135982654     
-   18.5011608665208       split increased to            2  itime      606419 
+ acceleration/energy drift too large   2.47053510387990     
+   12.7641193818717       split increased to            4  itime      603701 
+  itsplit           2
+ acceleration/energy drift too large   2.62581509429762     
+   14.1146687101652       split increased to            2  itime      606711 
   itsplit           1
- acceleration/energy drift too large   5.53132423663828     
-   11.7435856725889       split increased to            2  itime      606511 
+ acceleration/energy drift too large   5.94218665276763     
+   15.5938481698655       split increased to            2  itime      606928 
   itsplit           1
- acceleration/energy drift too large   4.95396979584485     
-   13.9327819072926       split increased to            2  itime      607289 
+ acceleration/energy drift too large   7.58908302344115     
+   17.1372827036672       split increased to            2  itime      607182 
   itsplit           1
- acceleration/energy drift too large   12.5428176657499     
-   72.8672961153249       split increased to            2  itime      607592 
+ acceleration/energy drift too large   4.15460812778985     
+   10.4130263845320       split increased to            2  itime      607213 
   itsplit           1
- acceleration/energy drift too large   3.35200624752281     
-   14.8478224861671       split increased to            2  itime      608162 
+ acceleration/energy drift too large   4.84809355797531     
+   16.9150687006580       split increased to            2  itime      607587 
   itsplit           1
 Velocities reset to random values, time           121999.80
- acceleration/energy drift too large   7.48986769838658     
-   16.4551025514807       split increased to            2  itime      610874 
-  itsplit           1
- acceleration/energy drift too large   6.88461640991794     
-   23.6585285081094       split increased to            2  itime      611199 
+ acceleration/energy drift too large   2.44061536562066     
+   11.9723875473272       split increased to            2  itime      610202 
   itsplit           1
- acceleration/energy drift too large   5.27073601075471     
-   12.2999483175582       split increased to            2  itime      611634 
+ acceleration/energy drift too large   2.57954359429579     
+   17.5213648292393       split increased to            2  itime      610786 
   itsplit           1
- acceleration/energy drift too large   2.58201837525089     
-   12.0606766656704       split increased to            2  itime      613253 
+ acceleration/energy drift too large   8.38530834060213     
+   29.9543411984409       split increased to            2  itime      611185 
   itsplit           1
- acceleration/energy drift too large   6.16435660892859     
-   22.9479568507728       split increased to            2  itime      615402 
-  itsplit           1
- acceleration/energy drift too large   5.12452693717014     
-   10.9198568084051       split increased to            2  itime      619830 
+ acceleration/energy drift too large   10.0919946306030     
+   43.4888860857781       split increased to            2  itime      619815 
   itsplit           1
 Velocities reset to random values, time           123999.80
- acceleration/energy drift too large   4.17701526070117     
-   14.2011009034526       split increased to            2  itime      621416 
-  itsplit           1
- acceleration/energy drift too large   4.10705327937447     
-   11.6784185605288       split increased to            2  itime      624317 
-  itsplit           1
- acceleration/energy drift too large   5.53915592533735     
-   10.2229035809854       split increased to            2  itime      627998 
+ acceleration/energy drift too large   6.18684650279322     
+   15.9608751784289       split increased to            2  itime      621503 
   itsplit           1
- acceleration/energy drift too large   5.27841308413134     
-   15.3648190246371       split increased to            2  itime      628351 
+ acceleration/energy drift too large   5.75769098249470     
+   10.0874691808690       split increased to            2  itime      622543 
   itsplit           1
-Velocities reset to random values, time           125999.80
- acceleration/energy drift too large   7.04387057075298     
-   31.4935616822220       split increased to            2  itime      630885 
-  itsplit           1
- acceleration/energy drift too large   6.68363755885274     
-   21.5108832759806       split increased to            2  itime      632247 
+ acceleration/energy drift too large   2.66221614418340     
+   14.7231648874483       split increased to            2  itime      622641 
   itsplit           1
- acceleration/energy drift too large   3.05910585791017     
-   19.6885630324212       split increased to            2  itime      632986 
+ acceleration/energy drift too large   4.96613819252275     
+   13.8013680922376       split increased to            2  itime      628928 
   itsplit           1
- acceleration/energy drift too large   5.12769352143174     
-   14.6704192601212       split increased to            2  itime      633355 
+ acceleration/energy drift too large   3.83242761843283     
+   10.8665466335966       split increased to            2  itime      629902 
   itsplit           1
- acceleration/energy drift too large   6.38559801659031     
-   18.4447165032649       split increased to            2  itime      634783 
+Velocities reset to random values, time           125999.80
+ acceleration/energy drift too large   2.72691050792927     
+   11.0984258664679       split increased to            2  itime      630973 
   itsplit           1
- acceleration/energy drift too large   4.37574351736098     
-   12.0104674398144       split increased to            2  itime      635396 
+ acceleration/energy drift too large   4.97156017872708     
+   10.2480597569472       split increased to            2  itime      634308 
   itsplit           1
- acceleration/energy drift too large   2.11617752438243     
-   17.3910185332113       split increased to            2  itime      637640 
+ acceleration/energy drift too large   4.03284780170917     
+   10.1000116361740       split increased to            2  itime      638393 
   itsplit           1
- acceleration/energy drift too large   5.40983127492560     
-   15.6746853752284       split increased to            2  itime      638949 
+ acceleration/energy drift too large   4.89500499984303     
+   11.9759679367495       split increased to            2  itime      639196 
   itsplit           1
 Velocities reset to random values, time           127999.80
- acceleration/energy drift too large   5.49396245340874     
-   14.3063641242528       split increased to            2  itime      640367 
+ acceleration/energy drift too large   3.06989545426596     
+   10.4965501986433       split increased to            2  itime      640824 
   itsplit           1
- acceleration/energy drift too large   5.66411582175966     
-   14.6031377507839       split increased to            2  itime      640450 
+ acceleration/energy drift too large   3.17295956605742     
+   18.4466342827992       split increased to            2  itime      641621 
   itsplit           1
- acceleration/energy drift too large   5.08536826004552     
-   17.2452475813872       split increased to            2  itime      641566 
+ acceleration/energy drift too large   5.06746929650148     
+   15.7128075882309       split increased to            2  itime      642969 
   itsplit           1
- acceleration/energy drift too large   7.20031333576747     
-   34.1117511703152       split increased to            2  itime      641653 
+ acceleration/energy drift too large   2.18317934469786     
+   14.6312354513596       split increased to            2  itime      643206 
   itsplit           1
- acceleration/energy drift too large   5.74880549150841     
-   13.0217279265530       split increased to            2  itime      643114 
+ acceleration/energy drift too large   4.37995501256237     
+   24.2084004236204       split increased to            2  itime      644581 
   itsplit           1
- acceleration/energy drift too large   3.91400544841935     
-   11.3259441101517       split increased to            2  itime      643266 
+ acceleration/energy drift too large   3.44001208407200     
+   25.3830960573422       split increased to            2  itime      648060 
   itsplit           1
- acceleration/energy drift too large   3.81420734202607     
-   12.3486147360315       split increased to            2  itime      644221 
+ acceleration/energy drift too large   7.16657364223353     
+   27.6746915333814       split increased to            2  itime      648427 
   itsplit           1
- acceleration/energy drift too large   2.40597025155458     
-   11.5286680770710       split increased to            2  itime      644266 
-  itsplit           1
- acceleration/energy drift too large   2.07915660806829     
-   10.3964138092613       split increased to            2  itime      644299 
-  itsplit           1
- acceleration/energy drift too large   8.07545626877385     
-   23.3261073414046       split increased to            2  itime      644549 
-  itsplit           1
- acceleration/energy drift too large   3.96951190069606     
-   11.1721589662295       split increased to            2  itime      644876 
-  itsplit           1
- acceleration/energy drift too large   2.27618065306530     
-   13.5277417394543       split increased to            2  itime      647557 
-  itsplit           1
- acceleration/energy drift too large   2.03108006115075     
-   11.0270520598066       split increased to            2  itime      648245 
-  itsplit           1
- acceleration/energy drift too large   2.51970474898790     
-   11.3698345019869       split increased to            2  itime      648870 
+ acceleration/energy drift too large   5.84896942754945     
+   25.2359015418186       split increased to            2  itime      648495 
   itsplit           1
 Velocities reset to random values, time           129999.80
- acceleration/energy drift too large   7.93224033008258     
-   17.7422576063067       split increased to            2  itime      650749 
+ acceleration/energy drift too large   3.78643276963843     
+   10.2963640236438       split increased to            2  itime      652879 
   itsplit           1
- acceleration/energy drift too large   12.6073309438544     
-   69.1533553109166       split increased to            2  itime      653042 
+ acceleration/energy drift too large   5.64049113636900     
+   11.1603554186969       split increased to            2  itime      654040 
   itsplit           1
- acceleration/energy drift too large   4.82346225964454     
-   14.4247637772301       split increased to            2  itime      653871 
+ acceleration/energy drift too large   5.57056954492371     
+   18.6329322859279       split increased to            2  itime      654109 
   itsplit           1
- acceleration/energy drift too large   1.79591733472523     
-   12.3630274211351       split increased to            2  itime      655548 
+ acceleration/energy drift too large   5.35294542117865     
+   17.6212195519249       split increased to            2  itime      654569 
   itsplit           1
- acceleration/energy drift too large   7.27276382658144     
-   12.2079923687059       split increased to            2  itime      656249 
+ acceleration/energy drift too large   7.73546474668400     
+   38.0023103411554       split increased to            2  itime      656639 
   itsplit           1
- acceleration/energy drift too large   5.08715213587214     
-   10.1959923107608       split increased to            2  itime      657469 
+ acceleration/energy drift too large   5.56535716970280     
+   18.8421516008909       split increased to            2  itime      656650 
   itsplit           1
- acceleration/energy drift too large   6.48878716548795     
-   27.1862431371945       split increased to            2  itime      658486 
+ acceleration/energy drift too large   8.27897556634581     
+   28.9498553585017       split increased to            2  itime      659113 
   itsplit           1
-Velocities reset to random values, time           131999.80
- acceleration/energy drift too large   4.15031137518696     
-   13.0864969275069       split increased to            2  itime      661108 
-  itsplit           1
- acceleration/energy drift too large   5.16148166833159     
-   29.5406575564247       split increased to            2  itime      664018 
-  itsplit           1
- acceleration/energy drift too large   5.44028123271007     
-   24.7765700588194       split increased to            2  itime      664077 
+ acceleration/energy drift too large   7.00380638501306     
+   13.8385729146048       split increased to            2  itime      659114 
   itsplit           1
- acceleration/energy drift too large   5.57629614651598     
-   30.1697881101307       split increased to            2  itime      664082 
+Velocities reset to random values, time           131999.80
+ acceleration/energy drift too large   9.04740683117041     
+   37.3340509655439       split increased to            2  itime      662205 
   itsplit           1
- acceleration/energy drift too large   4.93049471074031     
-   11.0178070375240       split increased to            2  itime      666076 
+ acceleration/energy drift too large   2.28466638719765     
+   10.9504007097213       split increased to            2  itime      663404 
   itsplit           1
- acceleration/energy drift too large   4.17827038239580     
-   21.9175403211334       split increased to            2  itime      668336 
+ acceleration/energy drift too large   3.49268168947069     
+   22.4337466261792       split increased to            2  itime      669065 
   itsplit           1
- acceleration/energy drift too large   5.24749251383454     
-   23.0621876676699       split increased to            2  itime      668706 
+ acceleration/energy drift too large   4.74677145548803     
+   10.0206669110923       split increased to            2  itime      669107 
   itsplit           1
 Velocities reset to random values, time           133999.80
- acceleration/energy drift too large   1.99633844199228     
-   11.7731203328951       split increased to            2  itime      673267 
-  itsplit           1
- acceleration/energy drift too large   6.47386027223006     
-   29.5228951267211       split increased to            2  itime      674876 
+ acceleration/energy drift too large   8.63670211951346     
+   31.6414303188186       split increased to            2  itime      670188 
   itsplit           1
- acceleration/energy drift too large   5.02680929056851     
-   19.6097944057903       split increased to            2  itime      675558 
+ acceleration/energy drift too large   3.06371394467724     
+   13.1372365211317       split increased to            2  itime      673766 
   itsplit           1
- acceleration/energy drift too large   2.71127779134750     
-   19.5890821969147       split increased to            2  itime      675666 
+ acceleration/energy drift too large   2.23576210479992     
+   13.9040788015118       split increased to            2  itime      675621 
   itsplit           1
- acceleration/energy drift too large   5.18759708744289     
-   29.7754032102188       split increased to            2  itime      679740 
+ acceleration/energy drift too large   2.99087055932100     
+   26.2529026820693       split increased to            2  itime      679290 
   itsplit           1
 Velocities reset to random values, time           135999.80
- acceleration/energy drift too large   7.18085605914221     
-   24.0140549147132       split increased to            2  itime      685673 
-  itsplit           1
- acceleration/energy drift too large   4.48165228069812     
-   13.2253146062332       split increased to            2  itime      685905 
+ acceleration/energy drift too large   4.09557984425410     
+   13.9330473295296       split increased to            2  itime      681179 
   itsplit           1
- acceleration/energy drift too large   4.26565775153321     
-   11.6153940139052       split increased to            2  itime      686911 
+ acceleration/energy drift too large   1.91622118208430     
+   11.1703559507126       split increased to            2  itime      681446 
   itsplit           1
- acceleration/energy drift too large   4.16527148984205     
-   14.4860480753405       split increased to            2  itime      688384 
+ acceleration/energy drift too large   4.57705061173539     
+   14.3664376808430       split increased to            2  itime      683924 
   itsplit           1
- acceleration/energy drift too large   1.86737594447589     
-   12.1998275331344       split increased to            2  itime      689491 
+ acceleration/energy drift too large   1.97249654562396     
+   11.7923083838066       split increased to            2  itime      684384 
   itsplit           1
-Velocities reset to random values, time           137999.80
- acceleration/energy drift too large   2.31972435113388     
-   11.3807543132671       split increased to            2  itime      690128 
-  itsplit           1
- acceleration/energy drift too large   4.33963678375370     
-   12.5388320508221       split increased to            2  itime      690224 
+ acceleration/energy drift too large   8.12680825839594     
+   28.9666812627199       split increased to            2  itime      686146 
   itsplit           1
- acceleration/energy drift too large   3.29283370213296     
-   10.5796872561529       split increased to            2  itime      690310 
+ acceleration/energy drift too large   2.55427706453296     
+   12.6494709608410       split increased to            2  itime      687873 
   itsplit           1
- acceleration/energy drift too large   1.83517226577567     
-   12.9851417079435       split increased to            2  itime      692569 
+Velocities reset to random values, time           137999.80
+ acceleration/energy drift too large   6.94426503016089     
+   15.8636716111209       split increased to            2  itime      694392 
   itsplit           1
- acceleration/energy drift too large   7.76957335767838     
-   18.3605994109289       split increased to            2  itime      693160 
+ acceleration/energy drift too large   1.96500965362388     
+   10.0876678873697       split increased to            2  itime      694453 
   itsplit           1
- acceleration/energy drift too large   10.9508002335935     
-   54.9375894516725       split increased to            2  itime      695166 
+ acceleration/energy drift too large   6.23971174452310     
+   25.9235606230153       split increased to            2  itime      695525 
   itsplit           1
- acceleration/energy drift too large   5.06162243853592     
-   13.8367969455546       split increased to            2  itime      695297 
+ acceleration/energy drift too large   3.08163056884440     
+   10.4342316046758       split increased to            2  itime      695538 
   itsplit           1
- acceleration/energy drift too large   7.52528335025527     
-   31.5418160787363       split increased to            2  itime      697020 
+ acceleration/energy drift too large   2.85200186719036     
+   18.5322970868536       split increased to            2  itime      696398 
   itsplit           1
- acceleration/energy drift too large   6.58954812649605     
-   21.7087305554357       split increased to            2  itime      697346 
+ acceleration/energy drift too large   4.24654882251796     
+   11.4185391289499       split increased to            2  itime      696636 
   itsplit           1
- acceleration/energy drift too large   6.78330687522669     
-   17.6893757554306       split increased to            2  itime      697834 
+ acceleration/energy drift too large   4.73215626921589     
+   10.2289063105993       split increased to            2  itime      697462 
   itsplit           1
- acceleration/energy drift too large   2.20584170919939     
-   12.1313297525475       split increased to            2  itime      698905 
+ acceleration/energy drift too large   1.78165399756171     
+   13.6183408477237       split increased to            2  itime      697687 
   itsplit           1
- acceleration/energy drift too large   7.19232714365963     
-   17.7837094401803       split increased to            2  itime      699766 
+ acceleration/energy drift too large   4.28691596829781     
+   13.3737144603561       split increased to            2  itime      699027 
   itsplit           1
 Velocities reset to random values, time           139999.80
  REMD synchro at      700000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   231.023437500000       0.000000000000000E+000
+ REMD gather times=   290.355468750000       0.000000000000000E+000
  REMD writing rst time=  0.000000000000000E+000
  REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.14286    7
+ACC   1   250.00000     0.42857    7
 ACC   2   260.00000     0.28571    7
-ACC   3   270.00000     0.28571    7
+ACC   3   270.00000     0.42857    7
 ACC   4   280.00000     0.28571    7
 ACC   5   290.00000     0.42857    7
 ACC   6   300.00000     0.57143    7
-ACC   7   310.00000     0.85714    7
-ACC   8   320.00000     0.57143    7
-ACC   9   330.00000     0.28571    7
-ACC  10   340.00000     0.57143    7
+ACC   7   310.00000     0.71429    7
+ACC   8   320.00000     0.71429    7
+ACC   9   330.00000     0.14286    7
+ACC  10   340.00000     0.85714    7
 ACC  11   350.00000     0.85714    7
-ACC  12   360.00000     0.85714    7
+ACC  12   360.00000     1.00000    7
 ACC  13   370.00000     0.85714    7
-ACC  14   380.00000     0.57143    7
+ACC  14   380.00000     0.71429    7
 ACC  15   390.00000     1.00000    7
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   5.47448786399594     
-   16.0814321263626       split increased to            2  itime      700099 
-  itsplit           1
- acceleration/energy drift too large   5.65506469320138     
-   22.6457247798797       split increased to            2  itime      700670 
-  itsplit           1
- acceleration/energy drift too large   5.67727396548983     
-   26.6945267723305       split increased to            2  itime      701310 
-  itsplit           1
- acceleration/energy drift too large   6.39425924843960     
-   17.0048855494824       split increased to            2  itime      701494 
-  itsplit           1
- acceleration/energy drift too large   2.00170443599690     
-   10.2940992813783       split increased to            2  itime      701833 
+ acceleration/energy drift too large   3.93472960083245     
+   11.2063367947762       split increased to            2  itime      700377 
   itsplit           1
- acceleration/energy drift too large   4.48538821204426     
-   15.6564039237042       split increased to            2  itime      701874 
+ acceleration/energy drift too large   4.34428093560174     
+   11.5481687411087       split increased to            2  itime      701134 
   itsplit           1
- acceleration/energy drift too large   5.71976367706072     
-   11.5217064248616       split increased to            2  itime      701891 
+ acceleration/energy drift too large   5.82641569686656     
+   17.5363966801220       split increased to            2  itime      701580 
   itsplit           1
- acceleration/energy drift too large   2.78598654757093     
-   11.2649120260678       split increased to            2  itime      701903 
+ acceleration/energy drift too large   4.74069265554034     
+   12.5834635520145       split increased to            2  itime      702405 
   itsplit           1
- acceleration/energy drift too large   3.59140017063497     
-   12.3901273992049       split increased to            2  itime      701907 
+ acceleration/energy drift too large   7.48848976579949     
+   17.8288178141337       split increased to            2  itime      703489 
   itsplit           1
- acceleration/energy drift too large   4.95323439029755     
-   15.1430577203668       split increased to            2  itime      701908 
+ acceleration/energy drift too large   2.73600511314082     
+   12.6577490393069       split increased to            2  itime      705695 
   itsplit           1
- acceleration/energy drift too large   3.58515665153786     
-   10.1888040988160       split increased to            2  itime      701912 
+ acceleration/energy drift too large   3.65119124475916     
+   28.8921547736879       split increased to            2  itime      705807 
   itsplit           1
- acceleration/energy drift too large   2.84281113928769     
-   11.2634365372436       split increased to            2  itime      701953 
+ acceleration/energy drift too large   4.98157476772346     
+   23.0666844208626       split increased to            2  itime      706670 
   itsplit           1
- acceleration/energy drift too large   2.31171531562627     
-   12.5837494980493       split increased to            2  itime      702204 
+ acceleration/energy drift too large   2.90355209805173     
+   19.9868379888575       split increased to            2  itime      709441 
   itsplit           1
- acceleration/energy drift too large   8.74589727583190     
-   35.0281681555361       split increased to            2  itime      702515 
+ acceleration/energy drift too large   6.34791227156518     
+   13.6682906605570       split increased to            2  itime      709710 
   itsplit           1
- acceleration/energy drift too large   7.74613030482960     
-   34.9937258242727       split increased to            2  itime      703153 
+ acceleration/energy drift too large   8.50503282573082     
+   14.4688770915652       split increased to            2  itime      709952 
   itsplit           1
- acceleration/energy drift too large   11.7485399711371     
-   60.5307941687862       split increased to            2  itime      703940 
+ acceleration/energy drift too large   7.05888230745372     
+   15.5270078331849       split increased to            2  itime      709983 
   itsplit           1
- acceleration/energy drift too large   3.98464751525648     
-   28.5361772254945       split increased to            2  itime      705097 
+ acceleration/energy drift too large   4.33375557263005     
+   11.6208763934395       split increased to            2  itime      709985 
   itsplit           1
- acceleration/energy drift too large   4.48467844593258     
-   16.8692014580580       split increased to            2  itime      705263 
+ acceleration/energy drift too large   8.77636154693241     
+   16.6451507405149       split increased to            2  itime      709995 
   itsplit           1
 Velocities reset to random values, time           141999.80
- acceleration/energy drift too large   7.92213705851886     
-   15.9412966769959       split increased to            2  itime      711397 
+ acceleration/energy drift too large   5.29487453182966     
+   15.2837475649310       split increased to            2  itime      711927 
   itsplit           1
- acceleration/energy drift too large   5.79376934349663     
-   15.1847191480141       split increased to            2  itime      712445 
+ acceleration/energy drift too large   1.61408951237361     
+   11.8179425920718       split increased to            2  itime      713638 
   itsplit           1
- acceleration/energy drift too large   4.66473280099138     
-   27.6294525234945       split increased to            2  itime      713126 
+ acceleration/energy drift too large   6.53144087097745     
+   18.2881450731301       split increased to            2  itime      715625 
   itsplit           1
- acceleration/energy drift too large   6.57007773765539     
-   21.0901029738126       split increased to            2  itime      716043 
+ acceleration/energy drift too large   4.98297102709200     
+   12.3967526538540       split increased to            2  itime      715885 
   itsplit           1
- acceleration/energy drift too large   5.66210950052828     
-   12.0089922988501       split increased to            2  itime      717938 
+ acceleration/energy drift too large   6.61458692229760     
+   25.0642180809315       split increased to            2  itime      717707 
   itsplit           1
-Velocities reset to random values, time           143999.80
- acceleration/energy drift too large   5.25067115972399     
-   18.6527778223385       split increased to            2  itime      721848 
-  itsplit           1
- acceleration/energy drift too large   4.41990956217366     
-   16.7297609500654       split increased to            2  itime      722427 
-  itsplit           1
- acceleration/energy drift too large   5.33583589091001     
-   19.1431228945107       split increased to            2  itime      723321 
+ acceleration/energy drift too large   7.88661909821306     
+   18.9512365014740       split increased to            2  itime      719072 
   itsplit           1
- acceleration/energy drift too large   5.74695405187337     
-   12.3388322551327       split increased to            2  itime      724051 
+ acceleration/energy drift too large   2.96965421226421     
+   11.6573800263961       split increased to            2  itime      719847 
   itsplit           1
- acceleration/energy drift too large   5.83173756549574     
-   19.4848795469663       split increased to            2  itime      724373 
+Velocities reset to random values, time           143999.80
+ acceleration/energy drift too large   5.32646839703920     
+   13.5606256341661       split increased to            2  itime      721620 
   itsplit           1
- acceleration/energy drift too large   5.91968311084838     
-   11.0704786580737       split increased to            2  itime      724376 
+ acceleration/energy drift too large   6.29605706141192     
+   19.3975354963952       split increased to            2  itime      725117 
   itsplit           1
- acceleration/energy drift too large   1.48449627747492     
-   16.9368651728721       split increased to            2  itime      724377 
+ acceleration/energy drift too large   6.87534575421433     
+   14.2132924198026       split increased to            2  itime      725199 
   itsplit           1
- acceleration/energy drift too large   4.79249016755956     
-   16.2095868839404       split increased to            2  itime      725672 
+ acceleration/energy drift too large   7.93503479211159     
+   10.1457532084715       split increased to            2  itime      726782 
   itsplit           1
- acceleration/energy drift too large   4.35679320953408     
-   10.3216027027103       split increased to            2  itime      725831 
+ acceleration/energy drift too large   5.73106854706756     
+   11.9473961093287       split increased to            2  itime      727155 
   itsplit           1
- acceleration/energy drift too large   2.98969126555545     
-   21.4560765338258       split increased to            2  itime      727866 
+ acceleration/energy drift too large   5.86881620959184     
+   16.2956370169348       split increased to            2  itime      727783 
   itsplit           1
- acceleration/energy drift too large   4.55490198716749     
-   13.7727785544750       split increased to            2  itime      728488 
+Velocities reset to random values, time           145999.80
+ acceleration/energy drift too large   5.68155995086396     
+   12.8716171152305       split increased to            2  itime      733764 
   itsplit           1
- acceleration/energy drift too large   2.07964060785296     
-   11.6563807461553       split increased to            2  itime      728641 
+ acceleration/energy drift too large   5.89637655810470     
+   22.4585358032075       split increased to            2  itime      734317 
   itsplit           1
- acceleration/energy drift too large   2.68861977000979     
-   19.7001706882952       split increased to            2  itime      728758 
+ acceleration/energy drift too large   4.38946697000217     
+   13.2992698589204       split increased to            2  itime      735481 
   itsplit           1
- acceleration/energy drift too large   3.92465638370386     
-   18.0298006180256       split increased to            2  itime      729671 
+ acceleration/energy drift too large   2.54784871949555     
+   17.4560434088089       split increased to            2  itime      735610 
   itsplit           1
-Velocities reset to random values, time           145999.80
- acceleration/energy drift too large   4.44089774845805     
-   11.8617062557767       split increased to            2  itime      730968 
+ acceleration/energy drift too large   7.75177241787974     
+   25.5505449219941       split increased to            2  itime      735611 
   itsplit           1
- acceleration/energy drift too large   8.66557607782664     
-   37.0646597396451       split increased to            2  itime      733370 
-  itsplit           1
- acceleration/energy drift too large   5.28545249639639     
-   11.5306628560378       split increased to            2  itime      734034 
+Velocities reset to random values, time           147999.80
+ acceleration/energy drift too large   7.72491739431766     
+   35.0724632154724       split increased to            2  itime      740185 
   itsplit           1
- acceleration/energy drift too large   7.26769317960345     
-   21.0562839731303       split increased to            2  itime      735911 
+ acceleration/energy drift too large   2.77675944803162     
+   17.4632744496337       split increased to            2  itime      743430 
   itsplit           1
- acceleration/energy drift too large   6.14055426519057     
-   12.9359189894445       split increased to            2  itime      736869 
+ acceleration/energy drift too large   2.71439396112492     
+   12.0497533900353       split increased to            2  itime      743461 
   itsplit           1
- acceleration/energy drift too large   4.94347675791034     
-   15.3914904179479       split increased to            2  itime      738618 
+ acceleration/energy drift too large   4.33665903249174     
+   10.0862823369909       split increased to            2  itime      743482 
   itsplit           1
- acceleration/energy drift too large   6.23916405173494     
-   22.1342854402178       split increased to            2  itime      739573 
+ acceleration/energy drift too large   2.18579483653158     
+   18.0426516663185       split increased to            2  itime      744188 
   itsplit           1
-Velocities reset to random values, time           147999.80
- acceleration/energy drift too large   9.81124800674843     
-   41.7171228614187       split increased to            2  itime      743123 
+ acceleration/energy drift too large   8.43338489883138     
+   48.6453076961397       split increased to            2  itime      744649 
   itsplit           1
- acceleration/energy drift too large   3.90965427933629     
-   11.5852452261806       split increased to            2  itime      744046 
+ acceleration/energy drift too large   6.60414762543752     
+   18.8221701651620       split increased to            2  itime      744960 
   itsplit           1
- acceleration/energy drift too large   2.15287481031975     
-   11.0455437361992       split increased to            2  itime      744502 
+ acceleration/energy drift too large   6.82388857970415     
+   16.7034708258202       split increased to            2  itime      747389 
   itsplit           1
- acceleration/energy drift too large   11.7198538232527     
-   62.3005470307827       split increased to            2  itime      745076 
+ acceleration/energy drift too large   4.24577791377603     
+   11.7151816091767       split increased to            2  itime      748125 
   itsplit           1
- acceleration/energy drift too large   4.04451893721570     
-   14.8840790838459       split increased to            2  itime      747223 
+Velocities reset to random values, time           149999.80
+ acceleration/energy drift too large   14.2580341642123     
+   68.0425850143622       split increased to            2  itime      750036 
   itsplit           1
- acceleration/energy drift too large   6.69328934748948     
-   18.0681338052005       split increased to            2  itime      748936 
+ acceleration/energy drift too large   1.37734718709133     
+   12.3715433735723       split increased to            2  itime      750098 
   itsplit           1
-Velocities reset to random values, time           149999.80
- acceleration/energy drift too large   5.72665226388256     
-   23.0820391760559       split increased to            2  itime      750093 
+ acceleration/energy drift too large   2.14819944339201     
+   19.0503035730486       split increased to            2  itime      751906 
   itsplit           1
- acceleration/energy drift too large   8.66294714065578     
-   34.0576880632827       split increased to            2  itime      750358 
+ acceleration/energy drift too large   5.83489678404588     
+   17.2629224217329       split increased to            2  itime      752662 
   itsplit           1
- acceleration/energy drift too large   1.98259072980531     
-   10.1419936294685       split increased to            2  itime      752483 
+ acceleration/energy drift too large   2.23243631458889     
+   10.8104764541568       split increased to            2  itime      753797 
   itsplit           1
- acceleration/energy drift too large   5.46308357335595     
-   13.7019720709387       split increased to            2  itime      752960 
+ acceleration/energy drift too large   5.09947780824544     
+   13.4010978902820       split increased to            2  itime      754466 
   itsplit           1
- acceleration/energy drift too large   6.41320481010107     
-   25.2534833150609       split increased to            2  itime      758823 
+ acceleration/energy drift too large   5.07879120725615     
+   12.2359838318543       split increased to            2  itime      755875 
   itsplit           1
- acceleration/energy drift too large   7.79557515238690     
-   17.5904411315425       split increased to            2  itime      758863 
+ acceleration/energy drift too large   8.95906921437676     
+   34.9324559384845       split increased to            2  itime      756505 
   itsplit           1
- acceleration/energy drift too large   5.84769131371794     
-   10.8634552419694       split increased to            2  itime      758952 
+ acceleration/energy drift too large   3.92969734770630     
+   13.2801363309280       split increased to            2  itime      757695 
   itsplit           1
- acceleration/energy drift too large   3.94472425635920     
-   10.4011755976626       split increased to            2  itime      759251 
+ acceleration/energy drift too large   12.1286059623756     
+   69.3661231273822       split increased to            2  itime      758473 
   itsplit           1
 Velocities reset to random values, time           151999.80
- acceleration/energy drift too large   4.26161543296282     
-   10.3240775023182       split increased to            2  itime      764223 
-  itsplit           1
- acceleration/energy drift too large   5.42060149807675     
-   30.3274473655174       split increased to            2  itime      764862 
+ acceleration/energy drift too large   2.38956194335038     
+   13.4824251234111       split increased to            2  itime      761283 
   itsplit           1
- acceleration/energy drift too large   3.90666790878864     
-   10.6838065309903       split increased to            2  itime      764910 
+ acceleration/energy drift too large   6.71335589701264     
+   29.9995440804558       split increased to            2  itime      761313 
   itsplit           1
- acceleration/energy drift too large   5.72714213429064     
-   26.7704383914941       split increased to            2  itime      765419 
+ acceleration/energy drift too large   2.60381034694572     
+   19.8174050912151       split increased to            2  itime      761367 
   itsplit           1
- acceleration/energy drift too large   4.26545540107464     
-   13.2486676087628       split increased to            2  itime      768439 
+ acceleration/energy drift too large   5.35912210985763     
+   11.5704300826650       split increased to            2  itime      761377 
   itsplit           1
- acceleration/energy drift too large   5.36282557354466     
-   15.5673086771597       split increased to            2  itime      768964 
+ acceleration/energy drift too large   7.02612688452159     
+   24.2981219904154       split increased to            2  itime      761640 
   itsplit           1
- acceleration/energy drift too large   6.17663238723834     
-   30.6427002908346       split increased to            2  itime      769271 
+ acceleration/energy drift too large   3.30210232429247     
+   21.0520994855872       split increased to            2  itime      762305 
   itsplit           1
- acceleration/energy drift too large   9.71230506903307     
-   41.4505087031495       split increased to            2  itime      769398 
+ acceleration/energy drift too large   5.70974440002933     
+   12.6434879020145       split increased to            2  itime      765075 
   itsplit           1
- acceleration/energy drift too large   8.83971871468189     
-   25.9729073655119       split increased to            2  itime      769416 
+ acceleration/energy drift too large   2.91805930866349     
+   10.2705170089242       split increased to            2  itime      766754 
   itsplit           1
- acceleration/energy drift too large   4.67587027693984     
-   13.1815496581720       split increased to            2  itime      769804 
+ acceleration/energy drift too large   3.87827711722365     
+   10.3833855869453       split increased to            2  itime      768017 
   itsplit           1
 Velocities reset to random values, time           153999.80
- acceleration/energy drift too large   2.93869723237927     
-   20.3869529098574       split increased to            2  itime      770649 
+ acceleration/energy drift too large   7.23304735491319     
+   19.5503566674271       split increased to            2  itime      777319 
   itsplit           1
- acceleration/energy drift too large   3.45100585290910     
-   14.6994978178362       split increased to            2  itime      771159 
+ acceleration/energy drift too large   7.49808799816246     
+   17.5046224532120       split increased to            2  itime      778011 
   itsplit           1
- acceleration/energy drift too large   5.41305444534499     
-   11.9463377590223       split increased to            2  itime      773194 
+ acceleration/energy drift too large   5.42546312700277     
+   22.2799165999441       split increased to            2  itime      778696 
   itsplit           1
- acceleration/energy drift too large   2.21566093752249     
-   10.3322205482370       split increased to            2  itime      773337 
+ acceleration/energy drift too large   5.29167669695716     
+   17.9690397516625       split increased to            2  itime      778773 
   itsplit           1
- acceleration/energy drift too large   8.44252853303192     
-   21.7141046765125       split increased to            2  itime      773991 
-  itsplit           1
- acceleration/energy drift too large   4.71336369540746     
-   12.4341213248099       split increased to            2  itime      774637 
+Velocities reset to random values, time           155999.80
+ acceleration/energy drift too large   3.80278396587570     
+   10.2057167982440       split increased to            2  itime      780340 
   itsplit           1
- acceleration/energy drift too large   6.18727814603421     
-   16.7645617593299       split increased to            2  itime      776330 
+ acceleration/energy drift too large   5.77447244578019     
+   17.7661299519136       split increased to            2  itime      781365 
   itsplit           1
- acceleration/energy drift too large   2.27904636501192     
-   10.6961990358938       split increased to            4  itime      776330 
+ acceleration/energy drift too large   7.31269052253176     
+   19.7831445138354       split increased to            2  itime      781492 
   itsplit           1
- acceleration/energy drift too large   2.50456007561099     
-   11.1806767994931       split increased to            2  itime      777553 
+ acceleration/energy drift too large   4.31697423507348     
+   11.9400262614120       split increased to            2  itime      781824 
   itsplit           1
- acceleration/energy drift too large   4.70360253245457     
-   14.2608028773883       split increased to            2  itime      777986 
+ acceleration/energy drift too large  0.347356432252640     
+   10.1932673423635       split increased to            2  itime      781825 
   itsplit           1
- acceleration/energy drift too large   6.01283452132286     
-   14.9454379960258       split increased to            2  itime      779791 
+ acceleration/energy drift too large   5.14786144935377     
+   11.0889243004452       split increased to            2  itime      783548 
   itsplit           1
-Velocities reset to random values, time           155999.80
- acceleration/energy drift too large   2.10273356257461     
-   10.2081232355262       split increased to            2  itime      780287 
+ acceleration/energy drift too large   2.41326108064900     
+   11.8803050399384       split increased to            4  itime      783548 
   itsplit           1
- acceleration/energy drift too large   2.56658434251135     
-   17.0189388217763       split increased to            2  itime      780460 
+ acceleration/energy drift too large   7.38892019473086     
+   25.3696073905825       split increased to            2  itime      784069 
   itsplit           1
- acceleration/energy drift too large   2.98878201285777     
-   18.2246038541938       split increased to            2  itime      782272 
+ acceleration/energy drift too large   3.45160411183108     
+   12.3357234331473       split increased to            2  itime      786092 
   itsplit           1
- acceleration/energy drift too large   7.58951264571760     
-   11.2409749120134       split increased to            2  itime      784213 
+ acceleration/energy drift too large   4.44535111718529     
+   20.2183669461845       split increased to            2  itime      786385 
   itsplit           1
- acceleration/energy drift too large   9.14640845397853     
-   37.7725798472462       split increased to            2  itime      786039 
+ acceleration/energy drift too large   5.96001230229975     
+   26.7635877251907       split increased to            2  itime      787503 
   itsplit           1
 Velocities reset to random values, time           157999.80
- acceleration/energy drift too large   5.39539268687014     
-   10.2989045686283       split increased to            2  itime      791426 
+ acceleration/energy drift too large   5.23548359761978     
+   17.9114640456567       split increased to            2  itime      790651 
+  itsplit           1
+ acceleration/energy drift too large   5.19874131998921     
+   20.8276389678619       split increased to            2  itime      791576 
+  itsplit           1
+ acceleration/energy drift too large   2.27027156472139     
+   14.2373773395271       split increased to            2  itime      791720 
+  itsplit           1
+ acceleration/energy drift too large   4.21481357532670     
+   10.5182673748253       split increased to            2  itime      792410 
   itsplit           1
- acceleration/energy drift too large   4.49565803929829     
-   10.5511352643648       split increased to            2  itime      792506 
+ acceleration/energy drift too large   9.62747663514687     
+   33.2828624009179       split increased to            2  itime      793407 
   itsplit           1
- acceleration/energy drift too large   2.81434272847603     
-   15.3854891989203       split increased to            2  itime      792604 
+ acceleration/energy drift too large   6.08595268147392     
+   17.2183956122480       split increased to            2  itime      793762 
   itsplit           1
- acceleration/energy drift too large   2.94216014277568     
-   18.3404320468981       split increased to            2  itime      798412 
+ acceleration/energy drift too large   2.33187635002060     
+   17.2973581161712       split increased to            2  itime      793846 
   itsplit           1
- acceleration/energy drift too large   5.64795855293663     
-   25.1962527061295       split increased to            2  itime      799527 
+ acceleration/energy drift too large   3.76374231425319     
+   11.0863475859656       split increased to            2  itime      797548 
   itsplit           1
 Velocities reset to random values, time           159999.80
  REMD synchro at      800000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   265.816406250000       0.000000000000000E+000
- REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD gather times=   331.621093750000       0.000000000000000E+000
+ REMD writing rst time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.25000    8
+ACC   1   250.00000     0.50000    8
 ACC   2   260.00000     0.25000    8
-ACC   3   270.00000     0.25000    8
-ACC   4   280.00000     0.37500    8
+ACC   3   270.00000     0.37500    8
+ACC   4   280.00000     0.25000    8
 ACC   5   290.00000     0.37500    8
 ACC   6   300.00000     0.62500    8
 ACC   7   310.00000     0.75000    8
-ACC   8   320.00000     0.50000    8
-ACC   9   330.00000     0.37500    8
-ACC  10   340.00000     0.62500    8
+ACC   8   320.00000     0.75000    8
+ACC   9   330.00000     0.25000    8
+ACC  10   340.00000     0.87500    8
 ACC  11   350.00000     0.75000    8
-ACC  12   360.00000     0.75000    8
+ACC  12   360.00000     0.87500    8
 ACC  13   370.00000     0.87500    8
-ACC  14   380.00000     0.62500    8
+ACC  14   380.00000     0.75000    8
 ACC  15   390.00000     1.00000    8
  REMD scatter time=  0.000000000000000E+000
  REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   5.69184022659095     
-   18.1280788398406       split increased to            2  itime      801759 
-  itsplit           1
- acceleration/energy drift too large   2.47663437551951     
-   15.9730202066525       split increased to            2  itime      802462 
-  itsplit           1
- acceleration/energy drift too large   4.64495268520800     
-   17.4308872191671       split increased to            2  itime      803735 
-  itsplit           1
- acceleration/energy drift too large   3.31684780375985     
-   18.6879210932804       split increased to            2  itime      804402 
+ acceleration/energy drift too large   4.08408958740091     
+   12.4488236775417       split increased to            2  itime      800440 
   itsplit           1
- acceleration/energy drift too large   5.36922286923187     
-   21.9532937348521       split increased to            2  itime      804660 
+ acceleration/energy drift too large   3.12351915924261     
+   11.5479193458302       split increased to            2  itime      801256 
   itsplit           1
- acceleration/energy drift too large   6.37825114896446     
-   14.4491818413710       split increased to            2  itime      806590 
+ acceleration/energy drift too large   4.76765323789805     
+   13.7971758966707       split increased to            2  itime      802194 
   itsplit           1
- acceleration/energy drift too large   4.98119093288604     
-   11.4007966765606       split increased to            2  itime      808191 
+ acceleration/energy drift too large   7.19336682379580     
+   16.4374505373611       split increased to            2  itime      805507 
   itsplit           1
- acceleration/energy drift too large   9.18021482829698     
-   42.0871825364108       split increased to            2  itime      808829 
+ acceleration/energy drift too large   4.20944490114535     
+   12.6537934545908       split increased to            2  itime      805689 
   itsplit           1
- acceleration/energy drift too large   5.74378967193748     
-   11.8684945271402       split increased to            2  itime      809174 
+ acceleration/energy drift too large   3.45858800382427     
+   10.2880432515098       split increased to            2  itime      806028 
   itsplit           1
- acceleration/energy drift too large   7.00466679942705     
-   19.5318128570421       split increased to            2  itime      809470 
+ acceleration/energy drift too large   5.66476398431336     
+   15.1302639260121       split increased to            2  itime      808305 
   itsplit           1
 Velocities reset to random values, time           161999.80
- acceleration/energy drift too large   2.77593587926664     
-   13.3494036855375       split increased to            2  itime      813319 
+ acceleration/energy drift too large   6.47200256263873     
+   28.7184629958246       split increased to            2  itime      811039 
   itsplit           1
- acceleration/energy drift too large   3.11328474800247     
-   21.7262258784563       split increased to            2  itime      813356 
+ acceleration/energy drift too large   2.44388243700491     
+   10.5618779643494       split increased to            2  itime      811771 
   itsplit           1
- acceleration/energy drift too large   2.57694577633394     
-   11.4204989083551       split increased to            2  itime      813360 
+ acceleration/energy drift too large   5.08529166998655     
+   24.3663441062480       split increased to            2  itime      813193 
   itsplit           1
- acceleration/energy drift too large   12.1364311482590     
-   51.2784880555406       split increased to            2  itime      813605 
+ acceleration/energy drift too large   7.33571159855923     
+   35.3725925031465       split increased to            2  itime      814982 
   itsplit           1
- acceleration/energy drift too large   7.12272239687025     
-   12.9161851105933       split increased to            2  itime      814118 
+ acceleration/energy drift too large   7.68404272134721     
+   30.3237702470528       split increased to            2  itime      816982 
   itsplit           1
- acceleration/energy drift too large   3.60834820891743     
-   10.7802410161634       split increased to            2  itime      815123 
+ acceleration/energy drift too large   5.10313454590048     
+   17.4921742589240       split increased to            2  itime      818234 
   itsplit           1
- acceleration/energy drift too large   7.02335379907620     
-   17.4651182685528       split increased to            2  itime      816286 
-  itsplit           1
- acceleration/energy drift too large   6.12054129750139     
-   16.0343062222713       split increased to            2  itime      817933 
-  itsplit           1
- acceleration/energy drift too large   7.17836800952848     
-   19.1722670107335       split increased to            2  itime      818820 
-  itsplit           1
- acceleration/energy drift too large   3.14246641736954     
-   21.8242019947103       split increased to            2  itime      819874 
+ acceleration/energy drift too large   7.98675736437558     
+   30.5755774648578       split increased to            2  itime      819621 
   itsplit           1
 Velocities reset to random values, time           163999.80
- acceleration/energy drift too large   2.16346670520375     
-   11.8892441673650       split increased to            2  itime      820585 
+ acceleration/energy drift too large   4.78054324272918     
+   11.1824332632478       split increased to            2  itime      820402 
   itsplit           1
- acceleration/energy drift too large   3.73661148415550     
-   12.1494505880900       split increased to            2  itime      822409 
+ acceleration/energy drift too large   3.26038963959499     
+   20.2185218874292       split increased to            2  itime      823803 
   itsplit           1
- acceleration/energy drift too large   5.44775386212662     
-   12.2232342894893       split increased to            2  itime      829578 
+ acceleration/energy drift too large   5.82700272401535     
+   22.2969032965753       split increased to            2  itime      829456 
   itsplit           1
 Velocities reset to random values, time           165999.80
- acceleration/energy drift too large   5.67367285137345     
-   20.5568770474535       split increased to            2  itime      830374 
-  itsplit           1
- acceleration/energy drift too large   4.51949677762530     
-   21.1283251782690       split increased to            2  itime      831529 
-  itsplit           1
- acceleration/energy drift too large   11.1377430754238     
-   56.6130897268729       split increased to            2  itime      832140 
-  itsplit           1
- acceleration/energy drift too large   6.13628494692663     
-   19.8917363160433       split increased to            2  itime      833270 
-  itsplit           1
- acceleration/energy drift too large   2.70129240808395     
-   18.1934208995214       split increased to            2  itime      834029 
-  itsplit           1
- acceleration/energy drift too large   20.4983321101833     
-   141.933726209782       split increased to            2  itime      834354 
-  itsplit           1
- acceleration/energy drift too large   2.92534341216855     
-   12.4061421769750       split increased to            4  itime      834354 
-  itsplit           2
- acceleration/energy drift too large   3.42933184399123     
-   10.5778107537472       split increased to            2  itime      834676 
-  itsplit           1
- acceleration/energy drift too large   11.5382490567512     
-   67.2381839984131       split increased to            2  itime      834867 
-  itsplit           1
- acceleration/energy drift too large   2.13017916159000     
-   10.0590881328853       split increased to            4  itime      834867 
-  itsplit           1
- acceleration/energy drift too large   6.77442035953581     
-   22.2520985807958       split increased to            2  itime      835023 
-  itsplit           1
- acceleration/energy drift too large   6.10472729129359     
-   18.9579373048869       split increased to            2  itime      835304 
-  itsplit           1
- acceleration/energy drift too large   3.59944010611146     
-   12.5511990191480       split increased to            2  itime      835535 
-  itsplit           1
- acceleration/energy drift too large   3.71671638087789     
-   15.1193490932687       split increased to            2  itime      836190 
-  itsplit           1
- acceleration/energy drift too large   6.55799735346748     
-   14.4341344240815       split increased to            2  itime      836703 
-  itsplit           1
- acceleration/energy drift too large   7.37759763767898     
-   15.1466310800042       split increased to            2  itime      836955 
-  itsplit           1
- acceleration/energy drift too large   10.2845652929581     
-   59.7222684264935       split increased to            2  itime      838442 
-  itsplit           1
- acceleration/energy drift too large   7.62617652490755     
-   21.2560683382069       split increased to            2  itime      838574 
-  itsplit           1
- acceleration/energy drift too large   4.10001251782929     
-   12.8615377889816       split increased to            2  itime      839088 
+ acceleration/energy drift too large   4.33818208044453     
+   15.7830111180855       split increased to            2  itime      830418 
   itsplit           1
 Velocities reset to random values, time           167999.80
- acceleration/energy drift too large   4.24112442100231     
-   12.6374553292456       split increased to            2  itime      844561 
-  itsplit           1
- acceleration/energy drift too large   3.93799286257976     
-   19.8886721813916       split increased to            2  itime      845685 
-  itsplit           1
- acceleration/energy drift too large   2.31945667505882     
-   15.5587000295129       split increased to            2  itime      847050 
-  itsplit           1
- acceleration/energy drift too large   4.88169163942168     
-   11.5358880255945       split increased to            2  itime      847216 
-  itsplit           1
- acceleration/energy drift too large   3.52358276704927     
-   16.9686750137679       split increased to            2  itime      847217 
+ acceleration/energy drift too large   9.41834978888285     
+   39.7753471470065       split increased to            2  itime      840511 
   itsplit           1
- acceleration/energy drift too large   1.42764555010007     
-   10.9926494209312       split increased to            2  itime      847223 
+ acceleration/energy drift too large   5.54357869442185     
+   13.7753319393231       split increased to            2  itime      844045 
   itsplit           1
- acceleration/energy drift too large   3.51109305242172     
-   11.8099663899081       split increased to            2  itime      847461 
+ acceleration/energy drift too large   8.78253291842823     
+   37.1617187185735       split increased to            2  itime      844750 
   itsplit           1
- acceleration/energy drift too large   5.77892541914608     
-   12.7975231500319       split increased to            2  itime      848154 
+ acceleration/energy drift too large   7.71858191080219     
+   23.5136351225193       split increased to            2  itime      846405 
   itsplit           1
- acceleration/energy drift too large   3.09843795429636     
-   13.7478467475547       split increased to            2  itime      848165 
+ acceleration/energy drift too large   4.43034239515480     
+   11.7919290417298       split increased to            2  itime      847840 
   itsplit           1
- acceleration/energy drift too large   4.43237670476176     
-   19.9750104407127       split increased to            2  itime      848230 
-  itsplit           1
- acceleration/energy drift too large   13.7148042146841     
-   70.7941393867578       split increased to            2  itime      848491 
+ acceleration/energy drift too large   8.87599084665895     
+   21.5493505821429       split increased to            2  itime      848352 
   itsplit           1
 Velocities reset to random values, time           169999.80
- acceleration/energy drift too large   7.61676421297572     
-   21.4259325254340       split increased to            2  itime      850260 
-  itsplit           1
- acceleration/energy drift too large   1.25346456330917     
-   10.3457858717038       split increased to            2  itime      850261 
-  itsplit           1
- acceleration/energy drift too large   1.74665638515017     
-   10.0482023647463       split increased to            2  itime      850470 
-  itsplit           1
- acceleration/energy drift too large   1.70728092273426     
-   10.9568563307795       split increased to            2  itime      851185 
-  itsplit           1
- acceleration/energy drift too large   23.1852183384183     
-   176.963727538405       split increased to            2  itime      851300 
-  itsplit           1
- acceleration/energy drift too large   5.83472572879691     
-   44.9471860778641       split increased to            4  itime      851300 
-  itsplit           2
- acceleration/energy drift too large   2.22588804191595     
-   10.0742773097540       split increased to            2  itime      852465 
-  itsplit           1
- acceleration/energy drift too large   4.13914778293874     
-   11.3651680708259       split increased to            2  itime      853616 
-  itsplit           1
- acceleration/energy drift too large   2.70993643702732     
-   10.0081245656962       split increased to            2  itime      853623 
-  itsplit           1
- acceleration/energy drift too large   2.40723452119426     
-   10.7955911606517       split increased to            2  itime      853648 
-  itsplit           1
- acceleration/energy drift too large   3.58259873352019     
-   10.2638629899012       split increased to            2  itime      853652 
-  itsplit           1
- acceleration/energy drift too large   1.73599459549526     
-   11.0573504480056       split increased to            2  itime      853656 
-  itsplit           1
- acceleration/energy drift too large   3.45764380535926     
-   16.8964129071071       split increased to            2  itime      853657 
-  itsplit           1
- acceleration/energy drift too large   6.87824727924225     
-   25.8022775788538       split increased to            2  itime      853739 
-  itsplit           1
- acceleration/energy drift too large   6.43033353188756     
-   14.5649848290852       split increased to            2  itime      853947 
-  itsplit           1
- acceleration/energy drift too large   4.53570505648495     
-   11.3665608311547       split increased to            2  itime      854696 
-  itsplit           1
- acceleration/energy drift too large   7.30444034511156     
-   13.4876067717069       split increased to            2  itime      854844 
-  itsplit           1
- acceleration/energy drift too large   2.05742891643888     
-   15.3086194851741       split increased to            2  itime      854845 
+ acceleration/energy drift too large   8.43703375440349     
+   26.1111376703467       split increased to            2  itime      850260 
   itsplit           1
- acceleration/energy drift too large   5.77077988432234     
-   10.8974940192393       split increased to            2  itime      856594 
+ acceleration/energy drift too large   2.41637898959447     
+   11.9496115966891       split increased to            4  itime      850260 
   itsplit           1
- acceleration/energy drift too large   7.44919000350047     
-   23.7195158818458       split increased to            2  itime      857366 
+ acceleration/energy drift too large   3.65410582160430     
+   28.9337075120477       split increased to            2  itime      857936 
   itsplit           1
- acceleration/energy drift too large   9.63640978450148     
-   34.5381116486810       split increased to            2  itime      857682 
+ acceleration/energy drift too large   6.38002562341255     
+   20.5163193214104       split increased to            2  itime      857970 
   itsplit           1
- acceleration/energy drift too large   8.34775496729379     
-   27.6122498528047       split increased to            2  itime      857751 
+ acceleration/energy drift too large   3.03941011527822     
+   12.5754059523026       split increased to            2  itime      858903 
   itsplit           1
- acceleration/energy drift too large   5.00186915474457     
-   13.0090747190353       split increased to            2  itime      859281 
-  itsplit           1
- acceleration/energy drift too large   14.8450733701072     
-   75.6464389573518       split increased to            2  itime      859625 
-  itsplit           1
- acceleration/energy drift too large   3.09785458102877     
-   13.0526652410475       split increased to            4  itime      859625 
-  itsplit           2
 Velocities reset to random values, time           171999.80
- acceleration/energy drift too large   7.41609016096907     
-   16.1050878059863       split increased to            2  itime      860022 
-  itsplit           1
- acceleration/energy drift too large   2.07651375960769     
-   10.5726606871485       split increased to            2  itime      860332 
+ acceleration/energy drift too large   5.09869595999513     
+   17.2023674029247       split increased to            2  itime      861988 
   itsplit           1
- acceleration/energy drift too large   5.66007319700235     
-   10.4105021818082       split increased to            2  itime      860651 
+ acceleration/energy drift too large   3.16529716885340     
+   22.3504973180927       split increased to            2  itime      863263 
   itsplit           1
- acceleration/energy drift too large   1.46846363652615     
-   10.9867888832103       split increased to            2  itime      863133 
+ acceleration/energy drift too large   3.94815827368737     
+   20.9389938660938       split increased to            2  itime      868128 
   itsplit           1
- acceleration/energy drift too large   7.76385210438962     
-   14.3630035042602       split increased to            2  itime      863363 
+ acceleration/energy drift too large   2.82813693077582     
+   10.0201144432299       split increased to            2  itime      868161 
   itsplit           1
- acceleration/energy drift too large   3.39053408494881     
-   14.3143686945423       split increased to            2  itime      863372 
+ acceleration/energy drift too large   2.97370644372922     
+   14.7588956752508       split increased to            2  itime      868183 
   itsplit           1
- acceleration/energy drift too large   2.17731615305919     
-   10.3774169559808       split increased to            2  itime      864248 
+ acceleration/energy drift too large   3.96390719236278     
+   15.7313795279113       split increased to            2  itime      868491 
   itsplit           1
- acceleration/energy drift too large   7.25677976608566     
-   13.7519799734021       split increased to            2  itime      865143 
+ acceleration/energy drift too large   4.49057827341746     
+   12.2101803942524       split increased to            2  itime      868802 
   itsplit           1
- acceleration/energy drift too large   4.24892525517722     
-   10.0950234098636       split increased to            2  itime      865614 
+ acceleration/energy drift too large   4.62268156797011     
+   20.3048498331502       split increased to            2  itime      868857 
   itsplit           1
- acceleration/energy drift too large   6.97936068887209     
-   16.1383161993253       split increased to            2  itime      866791 
+ acceleration/energy drift too large   2.82758781325957     
+   10.2157271990151       split increased to            2  itime      868908 
   itsplit           1
- acceleration/energy drift too large   3.41863373899590     
-   19.5395588049961       split increased to            2  itime      867806 
+ acceleration/energy drift too large   6.13313732025728     
+   27.7441966522601       split increased to            2  itime      869179 
   itsplit           1
- acceleration/energy drift too large   5.23617498550461     
-   15.1326931206492       split increased to            2  itime      869259 
+ acceleration/energy drift too large   3.97648386870646     
+   23.2118831220007       split increased to            2  itime      869465 
   itsplit           1
 Velocities reset to random values, time           173999.80
- acceleration/energy drift too large   1.64817884713869     
-   10.6718762542544       split increased to            2  itime      871728 
-  itsplit           1
- acceleration/energy drift too large   2.64991039509377     
-   17.2711364361803       split increased to            2  itime      872793 
-  itsplit           1
- acceleration/energy drift too large   1.60885451060608     
-   10.5819203194047       split increased to            2  itime      873183 
-  itsplit           1
- acceleration/energy drift too large   7.13786809547889     
-   20.5851851889687       split increased to            2  itime      874636 
+ acceleration/energy drift too large   3.95967950728212     
+   12.1340881954239       split increased to            2  itime      871300 
   itsplit           1
- acceleration/energy drift too large   8.74590638146913     
-   45.8501577713050       split increased to            2  itime      874890 
-  itsplit           1
- acceleration/energy drift too large   5.72391699352570     
-   13.1322679531432       split increased to            2  itime      875229 
-  itsplit           1
- acceleration/energy drift too large   5.23245853845938     
-   11.8474157976269       split increased to            2  itime      875550 
-  itsplit           1
- acceleration/energy drift too large   3.90872771482160     
-   14.6336002512943       split increased to            2  itime      875955 
-  itsplit           1
- acceleration/energy drift too large   10.5948759859610     
-   72.7415040140564       split increased to            2  itime      876367 
-  itsplit           1
- acceleration/energy drift too large   2.50743896692760     
-   17.5511352358369       split increased to            4  itime      876367 
-  itsplit           2
- acceleration/energy drift too large   5.45310574325695     
-   16.3733096766231       split increased to            2  itime      877410 
+ acceleration/energy drift too large   6.84088379366927     
+   13.5684652273753       split increased to            2  itime      871852 
   itsplit           1
- acceleration/energy drift too large   4.37473321542774     
-   13.8348820175006       split increased to            2  itime      877651 
+ acceleration/energy drift too large   5.54828041045013     
+   16.9373733702985       split increased to            2  itime      875525 
   itsplit           1
- acceleration/energy drift too large   10.7244023380286     
-   50.9336788235978       split increased to            2  itime      878249 
+ acceleration/energy drift too large   4.06184948608980     
+   20.8189093256982       split increased to            2  itime      876200 
   itsplit           1
- acceleration/energy drift too large   5.18028800254101     
-   12.8146896720739       split increased to            2  itime      878316 
+ acceleration/energy drift too large   6.38806491317628     
+   10.4459065025896       split increased to            2  itime      876258 
   itsplit           1
- acceleration/energy drift too large   7.28666163229163     
-   36.9673364947130       split increased to            2  itime      878936 
+ acceleration/energy drift too large   4.30411225607038     
+   18.0917827384928       split increased to            2  itime      877550 
   itsplit           1
- acceleration/energy drift too large   7.15155495113731     
-   22.2206746839901       split increased to            2  itime      879719 
+ acceleration/energy drift too large   2.94749119836904     
+   21.3269540251211       split increased to            2  itime      877734 
   itsplit           1
 Velocities reset to random values, time           175999.80
- acceleration/energy drift too large   3.04155929576440     
-   15.4115702151892       split increased to            2  itime      880278 
-  itsplit           1
- acceleration/energy drift too large   3.16678999519365     
-   11.5718368283976       split increased to            2  itime      881270 
-  itsplit           1
- acceleration/energy drift too large   10.4156698878578     
-   36.7099774172981       split increased to            2  itime      882035 
-  itsplit           1
- acceleration/energy drift too large   5.65693232174793     
-   16.0428206416266       split increased to            2  itime      882036 
-  itsplit           1
- acceleration/energy drift too large   6.83831314791312     
-   17.8957234064306       split increased to            2  itime      882067 
-  itsplit           1
- acceleration/energy drift too large   8.59895810607212     
-   32.0850562122842       split increased to            2  itime      882420 
-  itsplit           1
- acceleration/energy drift too large   4.99202882972358     
-   16.0263553552008       split increased to            2  itime      882855 
-  itsplit           1
- acceleration/energy drift too large   5.88678025580808     
-   15.3089865371650       split increased to            2  itime      883118 
-  itsplit           1
- acceleration/energy drift too large   1.47859703867085     
-   10.0326091492983       split increased to            2  itime      883139 
-  itsplit           1
- acceleration/energy drift too large   4.52501924176382     
-   10.7129878632890       split increased to            2  itime      883322 
-  itsplit           1
- acceleration/energy drift too large   5.48010430901215     
-   33.6195967244205       split increased to            2  itime      884599 
-  itsplit           1
- acceleration/energy drift too large   6.99470321115315     
-   16.6770373791266       split increased to            2  itime      884832 
-  itsplit           1
- acceleration/energy drift too large   4.68005540740358     
-   24.8459125306157       split increased to            2  itime      885142 
+ acceleration/energy drift too large   2.16672268647222     
+   10.4816245016139       split increased to            2  itime      880680 
   itsplit           1
- acceleration/energy drift too large   7.25869158305505     
-   29.0120929239644       split increased to            2  itime      885207 
+ acceleration/energy drift too large   4.86499489226901     
+   13.8313415454886       split increased to            2  itime      882516 
   itsplit           1
- acceleration/energy drift too large   1.51422973819358     
-   10.2532439784850       split increased to            2  itime      885950 
+ acceleration/energy drift too large   5.78521891421254     
+   24.0057929736009       split increased to            2  itime      885949 
   itsplit           1
- acceleration/energy drift too large   6.12418522022765     
-   12.9651893813281       split increased to            2  itime      886965 
+ acceleration/energy drift too large   7.93059285037192     
+   22.7091408537575       split increased to            2  itime      886564 
   itsplit           1
- acceleration/energy drift too large   9.04493472932401     
-   67.2062976139063       split increased to            2  itime      888944 
+ acceleration/energy drift too large   5.12586774710923     
+   18.4022433502917       split increased to            2  itime      888384 
   itsplit           1
 Velocities reset to random values, time           177999.80
- acceleration/energy drift too large   5.44279128763719     
-   16.1977237804722       split increased to            2  itime      890914 
+ acceleration/energy drift too large   14.1957988306399     
+   83.7309233349541       split increased to            2  itime      892605 
   itsplit           1
- acceleration/energy drift too large   2.98599176791019     
-   11.3821778983402       split increased to            2  itime      891213 
-  itsplit           1
- acceleration/energy drift too large   3.81286671581420     
-   11.3874238264290       split increased to            2  itime      891375 
-  itsplit           1
- acceleration/energy drift too large   2.28323005572603     
-   10.4329197728991       split increased to            2  itime      891376 
-  itsplit           1
- acceleration/energy drift too large   1.46143319934128     
-   10.0810753331585       split increased to            2  itime      891412 
-  itsplit           1
- acceleration/energy drift too large   5.90860871096849     
-   10.7028202187818       split increased to            2  itime      892340 
-  itsplit           1
- acceleration/energy drift too large   6.23725888954031     
-   10.9737767380300       split increased to            2  itime      892750 
-  itsplit           1
- acceleration/energy drift too large   6.04263429752423     
-   11.4192604564588       split increased to            2  itime      893516 
-  itsplit           1
- acceleration/energy drift too large   1.36363151639066     
-   14.9549676243359       split increased to            2  itime      893517 
-  itsplit           1
- acceleration/energy drift too large   5.80354298981718     
-   23.3144240077405       split increased to            2  itime      893891 
-  itsplit           1
- acceleration/energy drift too large   5.53705885327489     
-   13.1404589373159       split increased to            2  itime      894303 
-  itsplit           1
- acceleration/energy drift too large   5.57505344970647     
-   35.0291608743835       split increased to            2  itime      894439 
-  itsplit           1
- acceleration/energy drift too large   4.73560323769449     
-   10.2343307646691       split increased to            2  itime      894518 
-  itsplit           1
- acceleration/energy drift too large   2.34188372422203     
-   10.1090542080905       split increased to            2  itime      894521 
-  itsplit           1
- acceleration/energy drift too large   2.33312511256594     
-   14.3259697837337       split increased to            2  itime      895362 
-  itsplit           1
- acceleration/energy drift too large   4.20299671115865     
-   12.4012410490702       split increased to            2  itime      896398 
-  itsplit           1
- acceleration/energy drift too large   8.18465640607453     
-   21.9271982563789       split increased to            2  itime      897851 
-  itsplit           1
- acceleration/energy drift too large   3.32741619794941     
-   10.7680615037247       split increased to            2  itime      897927 
-  itsplit           1
- acceleration/energy drift too large   3.40967899146859     
-   13.8536590808121       split increased to            2  itime      897942 
-  itsplit           1
- acceleration/energy drift too large   5.03182055004415     
-   18.5305579767087       split increased to            2  itime      897952 
-  itsplit           1
- acceleration/energy drift too large   1.12732609478702     
-   10.7766841754608       split increased to            2  itime      897953 
-  itsplit           1
- acceleration/energy drift too large   7.84260083417092     
-   20.1209981965304       split increased to            2  itime      898205 
-  itsplit           1
- acceleration/energy drift too large   6.21848528036386     
-   12.2787210214647       split increased to            2  itime      898539 
+ acceleration/energy drift too large   2.63291726257252     
+   11.8734554480515       split increased to            4  itime      892605 
+  itsplit           2
+ acceleration/energy drift too large   7.07426533738856     
+   14.1484554270492       split increased to            2  itime      892781 
   itsplit           1
- acceleration/energy drift too large   2.98359369610689     
-   18.5638003096556       split increased to            2  itime      898540 
+ acceleration/energy drift too large   4.58269544360829     
+   10.6542840724855       split increased to            2  itime      894248 
   itsplit           1
- acceleration/energy drift too large   3.43442930017535     
-   18.8735192206141       split increased to            2  itime      898880 
+ acceleration/energy drift too large   7.44922169071775     
+   25.1294768049739       split increased to            2  itime      894683 
   itsplit           1
- acceleration/energy drift too large   5.74268209119594     
-   11.9353856039829       split increased to            2  itime      899039 
+ acceleration/energy drift too large   4.91173938389667     
+   12.9780056053374       split increased to            2  itime      894698 
   itsplit           1
- acceleration/energy drift too large   3.90910844791614     
-   11.3188741676049       split increased to            2  itime      899048 
+ acceleration/energy drift too large   1.87724879000168     
+   10.9052408931456       split increased to            2  itime      894940 
   itsplit           1
- acceleration/energy drift too large   5.31330945388802     
-   11.5642423734856       split increased to            2  itime      899110 
+ acceleration/energy drift too large   3.98317317396835     
+   11.4700191857306       split increased to            2  itime      896193 
   itsplit           1
- acceleration/energy drift too large   3.24956281672921     
-   10.5742889055526       split increased to            2  itime      899205 
+ acceleration/energy drift too large   4.84819647043968     
+   17.7940787249061       split increased to            2  itime      897436 
   itsplit           1
 Velocities reset to random values, time           179999.80
  REMD synchro at      900000
          ntwx_cache       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1       1
  MIN ii_write=           1
- REMD gather times=   299.007812500000       0.000000000000000E+000
+ REMD gather times=   372.859375000000       0.000000000000000E+000
  REMD writing rst time=  3.906250000000000E-003
- REMD writing traj time=  0.000000000000000E+000
+ REMD writing traj time=  3.906250000000000E-003
  NREP          16
-ACC   1   250.00000     0.22222    9
-ACC   2   260.00000     0.33333    9
-ACC   3   270.00000     0.22222    9
-ACC   4   280.00000     0.33333    9
+ACC   1   250.00000     0.44444    9
+ACC   2   260.00000     0.22222    9
+ACC   3   270.00000     0.44444    9
+ACC   4   280.00000     0.22222    9
 ACC   5   290.00000     0.44444    9
 ACC   6   300.00000     0.66667    9
-ACC   7   310.00000     0.77778    9
-ACC   8   320.00000     0.44444    9
-ACC   9   330.00000     0.44444    9
-ACC  10   340.00000     0.66667    9
+ACC   7   310.00000     0.66667    9
+ACC   8   320.00000     0.66667    9
+ACC   9   330.00000     0.33333    9
+ACC  10   340.00000     0.88889    9
 ACC  11   350.00000     0.66667    9
-ACC  12   360.00000     0.77778    9
+ACC  12   360.00000     0.88889    9
 ACC  13   370.00000     0.88889    9
-ACC  14   380.00000     0.55556    9
+ACC  14   380.00000     0.66667    9
 ACC  15   390.00000     1.00000    9
  REMD scatter time=  0.000000000000000E+000
- REMD exchange time=  3.906250000000000E-003
- acceleration/energy drift too large   4.82368802921549     
-   13.6421628756562       split increased to            2  itime      900765 
-  itsplit           1
- acceleration/energy drift too large   5.98052998246538     
-   23.1274777474374       split increased to            2  itime      900873 
+ REMD exchange time=  7.812500000000000E-003
+ acceleration/energy drift too large   6.80307774896243     
+   19.3124234088704       split increased to            2  itime      900852 
   itsplit           1
- acceleration/energy drift too large   6.80893839204201     
-   16.8767214582349       split increased to            2  itime      901034 
+ acceleration/energy drift too large   4.41154721779829     
+   11.0660768588015       split increased to            2  itime      901213 
   itsplit           1
- acceleration/energy drift too large   10.6144134483369     
-   66.0966577666819       split increased to            2  itime      902080 
+ acceleration/energy drift too large   8.27127214247565     
+   21.9395778634232       split increased to            2  itime      902039 
   itsplit           1
- acceleration/energy drift too large   5.44445353846461     
-   19.1256863761353       split increased to            2  itime      902374 
+ acceleration/energy drift too large   8.04958420189117     
+   18.8430910280835       split increased to            2  itime      902121 
   itsplit           1
- acceleration/energy drift too large   9.18859165711041     
-   23.8166355527368       split increased to            2  itime      903471 
+ acceleration/energy drift too large   6.51438711553797     
+   28.2327236815445       split increased to            2  itime      902368 
   itsplit           1
- acceleration/energy drift too large   5.85708958701127     
-   15.1951721161878       split increased to            2  itime      903536 
+ acceleration/energy drift too large   8.42263868759753     
+   24.8944174479372       split increased to            2  itime      902460 
   itsplit           1
- acceleration/energy drift too large   2.99308965698921     
-   11.2332940109566       split increased to            2  itime      905714 
+ acceleration/energy drift too large   11.3588797307148     
+   57.0539232532797       split increased to            2  itime      904588 
   itsplit           1
- acceleration/energy drift too large   4.22094657305750     
-   14.5803227366630       split increased to            2  itime      907752 
+ acceleration/energy drift too large   5.40442018878542     
+   14.1542559605059       split increased to            2  itime      906407 
   itsplit           1
- acceleration/energy drift too large   12.1125803036138     
-   65.7642358608055       split increased to            2  itime      907774 
+ acceleration/energy drift too large   9.47818274991936     
+   41.9312323581368       split increased to            2  itime      907492 
   itsplit           1
 Velocities reset to random values, time           181999.80
- acceleration/energy drift too large   5.67335372256489     
-   10.7714139643284       split increased to            2  itime      910871 
-  itsplit           1
- acceleration/energy drift too large   2.72854967366822     
-   10.2607538913406       split increased to            2  itime      911036 
-  itsplit           1
- acceleration/energy drift too large   5.36953982367223     
-   19.4697687649785       split increased to            2  itime      911565 
-  itsplit           1
- acceleration/energy drift too large   2.30019881623473     
-   10.8441282903030       split increased to            2  itime      911722 
-  itsplit           1
- acceleration/energy drift too large   1.72576940666181     
-   10.4306281248040       split increased to            2  itime      911854 
-  itsplit           1
- acceleration/energy drift too large   5.97119343970760     
-   13.6745495033832       split increased to            2  itime      913960 
+ acceleration/energy drift too large   4.14041007131799     
+   13.6884763974237       split increased to            2  itime      910797 
   itsplit           1
- acceleration/energy drift too large   3.23890084580720     
-   11.1383210881814       split increased to            2  itime      914084 
+ acceleration/energy drift too large   8.96247910550203     
+   38.3774101640457       split increased to            2  itime      911992 
   itsplit           1
- acceleration/energy drift too large   2.07903286224359     
-   10.7640139455406       split increased to            2  itime      914088 
+ acceleration/energy drift too large   5.19225712594980     
+   14.1218085635234       split increased to            2  itime      913992 
   itsplit           1
- acceleration/energy drift too large   2.48672531371296     
-   10.0195037052556       split increased to            2  itime      914134 
+ acceleration/energy drift too large   1.55020123013803     
+   11.2603696584587       split increased to            2  itime      913993 
   itsplit           1
- acceleration/energy drift too large   1.94400968237028     
-   10.3761621998616       split increased to            2  itime      914150 
+ acceleration/energy drift too large   3.67467600152415     
+   11.1308439544382       split increased to            2  itime      918188 
   itsplit           1
- acceleration/energy drift too large   2.43758128430592     
-   11.7363531989760       split increased to            2  itime      918845 
-  itsplit           1
- acceleration/energy drift too large   6.26722537433831     
-   14.0925551871593       split increased to            2  itime      919566 
+ acceleration/energy drift too large   5.87543829487982     
+   17.5936735137630       split increased to            2  itime      919424 
   itsplit           1
 Velocities reset to random values, time           183999.80
- acceleration/energy drift too large   6.37109564253421     
-   17.9572166793548       split increased to            2  itime      921389 
+ acceleration/energy drift too large   6.89439736087552     
+   20.5707366508991       split increased to            2  itime      922987 
   itsplit           1
- acceleration/energy drift too large   12.4659339423661     
-   65.8059027794830       split increased to            2  itime      922339 
+ acceleration/energy drift too large   3.39125331269946     
+   10.1833163787719       split increased to            2  itime      922988 
   itsplit           1
- acceleration/energy drift too large   10.0182211429363     
-   40.8104012668853       split increased to            2  itime      925388 
+ acceleration/energy drift too large   2.67253249615859     
+   10.8159939168896       split increased to            2  itime      924897 
   itsplit           1
- acceleration/energy drift too large   2.63723618003640     
-   10.4583400064920       split increased to            2  itime      925389 
+ acceleration/energy drift too large   5.63880238100149     
+   16.2900850294096       split increased to            2  itime      925341 
   itsplit           1
- acceleration/energy drift too large   8.33987894753547     
-   46.7863826128733       split increased to            2  itime      928034 
+ acceleration/energy drift too large   2.79653612917923     
+   13.8830502464221       split increased to            2  itime      926200 
   itsplit           1
- acceleration/energy drift too large   21.0372398424032     
-   134.920848471675       split increased to            2  itime      928592 
+ acceleration/energy drift too large   5.12768293050376     
+   21.6436258575712       split increased to            2  itime      927567 
   itsplit           1
- acceleration/energy drift too large   5.80514845769977     
-   13.5020855326688       split increased to            2  itime      929906 
+ acceleration/energy drift too large   4.07367099570602     
+   10.9138107040253       split increased to            2  itime      928469 
   itsplit           1
 Velocities reset to random values, time           185999.80
- acceleration/energy drift too large   13.2024682519722     
-   53.2875104508250       split increased to            2  itime      930585 
-  itsplit           1
- acceleration/energy drift too large   7.88818797561089     
-   28.2728988325523       split increased to            2  itime      932633 
-  itsplit           1
- acceleration/energy drift too large   8.72042223669646     
-   29.4169786639350       split increased to            2  itime      932968 
-  itsplit           1
- acceleration/energy drift too large   7.36421582873760     
-   18.4217453222693       split increased to            2  itime      932970 
-  itsplit           1
- acceleration/energy drift too large   5.74482303346187     
-   17.1430252974376       split increased to            2  itime      933678 
-  itsplit           1
- acceleration/energy drift too large   4.74471171677820     
-   20.5466929330079       split increased to            2  itime      933679 
+ acceleration/energy drift too large   7.38307613328744     
+   11.1803944772985       split increased to            2  itime      931547 
   itsplit           1
- acceleration/energy drift too large   8.40174722963854     
-   44.8172797133941       split increased to            2  itime      935686 
+ acceleration/energy drift too large   9.14661026599905     
+   14.4104795419354       split increased to            2  itime      931700 
   itsplit           1
- acceleration/energy drift too large   5.60457915161304     
-   10.9644537331276       split increased to            2  itime      935786 
+ acceleration/energy drift too large   4.57433378377475     
+   14.0926698849211       split increased to            2  itime      933579 
   itsplit           1
- acceleration/energy drift too large   13.2132124291398     
-   62.2035986886151       split increased to            2  itime      936814 
+ acceleration/energy drift too large   2.66122761670839     
+   24.9114328568537       split increased to            2  itime      934035 
   itsplit           1
- acceleration/energy drift too large   3.60528580622789     
-   17.7137845884595       split increased to            4  itime      936814 
+ acceleration/energy drift too large   5.57563407996959     
+   11.8984071730631       split increased to            2  itime      935637 
   itsplit           1
- acceleration/energy drift too large   7.08029758737763     
-   15.8637557271129       split increased to            2  itime      936903 
+ acceleration/energy drift too large   4.48459049309447     
+   21.5845871712041       split increased to            2  itime      936817 
   itsplit           1
- acceleration/energy drift too large   5.05349395998550     
-   11.2097909864813       split increased to            2  itime      936904 
+ acceleration/energy drift too large   2.68358932477076     
+   10.1169163748936       split increased to            2  itime      936886 
   itsplit           1
- acceleration/energy drift too large   2.60808895022167     
-   12.8740694705739       split increased to            2  itime      936923 
+ acceleration/energy drift too large   3.86002415528629     
+   12.7298671994907       split increased to            2  itime      936949 
   itsplit           1
- acceleration/energy drift too large   1.57421680792501     
-   10.6238085654930       split increased to            2  itime      936931 
+ acceleration/energy drift too large   10.6806997240932     
+   48.8333433889083       split increased to            2  itime      936978 
   itsplit           1
- acceleration/energy drift too large   2.90669351288654     
-   13.0830267837424       split increased to            2  itime      936936 
-  itsplit           1
- acceleration/energy drift too large   2.78610607919842     
-   11.0885667120968       split increased to            2  itime      936990 
-  itsplit           1
- acceleration/energy drift too large   1.88505880123517     
-   11.0967573009299       split increased to            2  itime      937003 
-  itsplit           1
- acceleration/energy drift too large   2.69506251547563     
-   11.9734211769229       split increased to            2  itime      937019 
-  itsplit           1
- acceleration/energy drift too large   5.78895928181942     
-   11.1239681782119       split increased to            2  itime      937255 
-  itsplit           1
- acceleration/energy drift too large   4.48012726678586     
-   13.1635129760172       split increased to            2  itime      937256 
-  itsplit           1
- acceleration/energy drift too large   2.76565816339475     
-   10.1199897612422       split increased to            2  itime      937277 
-  itsplit           1
- acceleration/energy drift too large   4.98721106778551     
-   13.7651969613067       split increased to            2  itime      938036 
-  itsplit           1
- acceleration/energy drift too large  0.923091925374798     
-   10.4479663855157       split increased to            2  itime      938321 
-  itsplit           1
- acceleration/energy drift too large   11.9504641933095     
-   80.5931812193447       split increased to            2  itime      938369 
-  itsplit           1
- acceleration/energy drift too large   4.99217377897964     
-   11.6159104143042       split increased to            2  itime      939148 
-  itsplit           1
- acceleration/energy drift too large   3.54988762112421     
-   28.3011797768066       split increased to            2  itime      939187 
+ acceleration/energy drift too large   4.25858380303147     
+   10.2062387533218       split increased to            2  itime      939117 
   itsplit           1
 Velocities reset to random values, time           187999.80
- acceleration/energy drift too large   6.92865329939945     
-   11.4822849825533       split increased to            2  itime      940285 
-  itsplit           1
- acceleration/energy drift too large   2.62793706555398     
-   14.9958395222445       split increased to            2  itime      940344 
+ acceleration/energy drift too large   2.99806815885491     
+   10.3670993394339       split increased to            2  itime      941410 
   itsplit           1
- acceleration/energy drift too large   5.70367793058562     
-   10.5875374534005       split increased to            2  itime      940746 
+ acceleration/energy drift too large   6.95995718760027     
+   17.0907910219986       split increased to            2  itime      941428 
   itsplit           1
- acceleration/energy drift too large   4.44116196247668     
-   12.1228989146526       split increased to            2  itime      940922 
+ acceleration/energy drift too large   3.96477544687776     
+   11.0157340013351       split increased to            2  itime      942812 
   itsplit           1
- acceleration/energy drift too large   8.18312541026125     
-   19.8339467138795       split increased to            2  itime      940931 
+ acceleration/energy drift too large   2.78560378511364     
+   11.6323713086335       split increased to            2  itime      943624 
   itsplit           1
- acceleration/energy drift too large   6.98736707156805     
-   18.2824841963795       split increased to            2  itime      943623 
+ acceleration/energy drift too large   1.97221965443574     
+   10.6949309918516       split increased to            2  itime      943644 
   itsplit           1
- acceleration/energy drift too large   5.14910493346517     
-   13.9451924775376       split increased to            2  itime      944679 
+ acceleration/energy drift too large   3.64464312294482     
+   11.3120479758894       split increased to            2  itime      943652 
   itsplit           1
- acceleration/energy drift too large   4.36359686208472     
-   16.2828561376254       split increased to            2  itime      945318 
+ acceleration/energy drift too large   2.17215144108547     
+   10.4015522824314       split increased to            2  itime      943664 
   itsplit           1
- acceleration/energy drift too large   4.58080211106113     
-   10.4122380122154       split increased to            2  itime      945882 
+ acceleration/energy drift too large   7.54008567621025     
+   21.1876185890778       split increased to            2  itime      947556 
   itsplit           1
- acceleration/energy drift too large   1.70145483633355     
-   10.0130354513207       split increased to            2  itime      946192 
-  itsplit           1
- acceleration/energy drift too large   3.11471235612131     
-   11.4619429889393       split increased to            2  itime      946213 
-  itsplit           1
- acceleration/energy drift too large   16.3556721211434     
-   101.717028494778       split increased to            2  itime      946267 
-  itsplit           1
- acceleration/energy drift too large   3.70337056158655     
-   12.5959285066431       split increased to            2  itime      946270 
-  itsplit           1
- acceleration/energy drift too large   6.86864906207358     
-   20.6828336704770       split increased to            2  itime      946631 
-  itsplit           1
- acceleration/energy drift too large   4.18051476063413     
-   11.5707611261808       split increased to            2  itime      947163 
-  itsplit           1
- acceleration/energy drift too large   7.05720366098287     
-   18.2206261696807       split increased to            2  itime      947792 
+ acceleration/energy drift too large   11.9230373309006     
+   60.5829946916903       split increased to            2  itime      948426 
   itsplit           1
 Velocities reset to random values, time           189999.80
- acceleration/energy drift too large   10.3946553630481     
-   45.7815968087870       split increased to            2  itime      950378 
+ acceleration/energy drift too large   6.06250980515307     
+   13.5866356014714       split increased to            2  itime      951686 
   itsplit           1
- acceleration/energy drift too large   2.86368993728489     
-   17.2523196750700       split increased to            2  itime      950385 
+ acceleration/energy drift too large   2.12344590097711     
+   12.3837011834801       split increased to            2  itime      951687 
   itsplit           1
- acceleration/energy drift too large   5.40755585567915     
-   10.3735161976082       split increased to            2  itime      953798 
+ acceleration/energy drift too large   4.81968949558441     
+   13.3788454534942       split increased to            2  itime      952513 
   itsplit           1
- acceleration/energy drift too large   5.77047333974896     
-   16.1525516184645       split increased to            2  itime      954348 
+ acceleration/energy drift too large   4.51771913971148     
+   24.2126892886667       split increased to            2  itime      955166 
   itsplit           1
- acceleration/energy drift too large   7.98359286281212     
-   39.3268353467163       split increased to            2  itime      954537 
+ acceleration/energy drift too large   5.22078357207322     
+   12.4267415109033       split increased to            2  itime      955995 
   itsplit           1
- acceleration/energy drift too large   4.60124924946029     
-   16.0312740792313       split increased to            2  itime      955466 
+ acceleration/energy drift too large   2.54677460115570     
+   11.6134852033933       split increased to            2  itime      958855 
   itsplit           1
- acceleration/energy drift too large   5.69492507498257     
-   19.4703844221067       split increased to            2  itime      956291 
+ acceleration/energy drift too large   8.10787151072794     
+   15.6697666769298       split increased to            2  itime      959052 
   itsplit           1
- acceleration/energy drift too large   2.18141982694780     
-   10.6734477491512       split increased to            2  itime      958093 
-  itsplit           1
- acceleration/energy drift too large   5.83724784612768     
-   13.6108079418441       split increased to            2  itime      959899 
+ acceleration/energy drift too large   7.04072136801924     
+   13.8436660350887       split increased to            2  itime      959064 
   itsplit           1
 Velocities reset to random values, time           191999.80
- acceleration/energy drift too large   20.5649512047831     
-   134.715368413637       split increased to            2  itime      960316 
-  itsplit           1
- acceleration/energy drift too large   4.95051319496715     
-   32.4978314685220       split increased to            4  itime      960316 
-  itsplit           2
- acceleration/energy drift too large   6.50253993981921     
-   12.1961460232320       split increased to            2  itime      960383 
-  itsplit           1
- acceleration/energy drift too large   6.44134358301477     
-   14.1929884775347       split increased to            2  itime      960388 
-  itsplit           1
- acceleration/energy drift too large   4.35892798912716     
-   13.4506961528893       split increased to            2  itime      960397 
-  itsplit           1
- acceleration/energy drift too large   4.43858552011945     
-   10.3294839203793       split increased to            2  itime      960410 
+ acceleration/energy drift too large   4.03928217835760     
+   10.1170361144387       split increased to            2  itime      960653 
   itsplit           1
- acceleration/energy drift too large   4.15316840105718     
-   10.4953123018953       split increased to            2  itime      960636 
+ acceleration/energy drift too large   1.76534673599795     
+   13.3132309790743       split increased to            2  itime      961547 
   itsplit           1
- acceleration/energy drift too large   6.53245873010942     
-   27.6205655379361       split increased to            2  itime      961035 
+ acceleration/energy drift too large   2.45359165847183     
+   12.5303780656618       split increased to            2  itime      961548 
   itsplit           1
- acceleration/energy drift too large   2.69243138114990     
-   13.8401358595307       split increased to            2  itime      961365 
+ acceleration/energy drift too large   4.18587959210560     
+   11.7105194463004       split increased to            2  itime      962421 
   itsplit           1
- acceleration/energy drift too large   4.93459934784578     
-   13.2466894552516       split increased to            2  itime      961735 
+ acceleration/energy drift too large   2.97981664943223     
+   19.8803368857843       split increased to            2  itime      963065 
   itsplit           1
- acceleration/energy drift too large   2.70109183263436     
-   11.1469128486016       split increased to            2  itime      961736 
+ acceleration/energy drift too large   6.30789144398029     
+   18.7157557059132       split increased to            2  itime      963551 
   itsplit           1
- acceleration/energy drift too large   3.60378655464716     
-   11.1066913652944       split increased to            2  itime      961775 
+ acceleration/energy drift too large   5.11699708651645     
+   11.4790181720050       split increased to            2  itime      963664 
   itsplit           1
- acceleration/energy drift too large   3.33023680871942     
-   12.5205693786355       split increased to            2  itime      962719 
+ acceleration/energy drift too large   5.87497660521767     
+   22.3171823535461       split increased to            2  itime      964148 
   itsplit           1
- acceleration/energy drift too large   6.79238801390474     
-   12.6895509681715       split increased to            2  itime      964525 
+ acceleration/energy drift too large   2.97653781375550     
+   21.1442853290830       split increased to            2  itime      964820 
   itsplit           1
- acceleration/energy drift too large   9.21473621211364     
-   41.7158791247634       split increased to            2  itime      964956 
+ acceleration/energy drift too large   3.63473393819300     
+   10.1700217763226       split increased to            2  itime      967154 
   itsplit           1
- acceleration/energy drift too large   2.74929871068298     
-   11.6129210296265       split increased to            2  itime      965669 
+ acceleration/energy drift too large   10.7041710437672     
+   54.8906400960495       split increased to            2  itime      968155 
   itsplit           1
- acceleration/energy drift too large   2.55751164724648     
-   10.6758967733924       split increased to            2  itime      965705 
-  itsplit           1
- acceleration/energy drift too large   3.54157965977888     
-   18.1537895132643       split increased to            2  itime      966314 
-  itsplit           1
- acceleration/energy drift too large   2.93756061764260     
-   10.6379725872133       split increased to            2  itime      966500 
-  itsplit           1
- acceleration/energy drift too large   3.87164393659944     
-   11.1006718370923       split increased to            2  itime      967104 
-  itsplit           1
- acceleration/energy drift too large   7.09124613676612     
-   15.7105709560608       split increased to            2  itime      969343 
+ acceleration/energy drift too large   2.37077394741869     
+   13.1446481682347       split increased to            2  itime      969729 
   itsplit           1
 Velocities reset to random values, time           193999.80
- acceleration/energy drift too large   5.79809675570323     
-   21.7378482413924       split increased to            2  itime      970719 
-  itsplit           1
- acceleration/energy drift too large   6.56416158729075     
-   31.5275976749552       split increased to            2  itime      972715 
-  itsplit           1
- acceleration/energy drift too large   6.91328263593610     
-   17.1086730499726       split increased to            2  itime      973213 
+ acceleration/energy drift too large   2.51683209829565     
+   13.7103742175068       split increased to            2  itime      970048 
   itsplit           1
- acceleration/energy drift too large   3.33847483385844     
-   12.7974971721947       split increased to            2  itime      974162 
+ acceleration/energy drift too large   2.47129543399149     
+   12.7009963135846       split increased to            2  itime      970969 
   itsplit           1
- acceleration/energy drift too large   4.56642468215192     
-   15.6819225036248       split increased to            2  itime      974600 
+ acceleration/energy drift too large   4.34902140828444     
+   15.6155927190299       split increased to            2  itime      971020 
   itsplit           1
- acceleration/energy drift too large   3.04932828794360     
-   23.2367218393294       split increased to            2  itime      975769 
+ acceleration/energy drift too large   2.27334650823075     
+   11.1697735787551       split increased to            2  itime      971056 
   itsplit           1
- acceleration/energy drift too large   5.49600415458044     
-   38.0401851899870       split increased to            2  itime      976041 
+ acceleration/energy drift too large   7.03050146862214     
+   20.7278137426450       split increased to            2  itime      971289 
   itsplit           1
- acceleration/energy drift too large   3.00962995967830     
-   14.9941943149147       split increased to            2  itime      976744 
+ acceleration/energy drift too large   2.82355440155670     
+   10.7175078002837       split increased to            2  itime      971329 
   itsplit           1
- acceleration/energy drift too large   4.82735512356622     
-   23.7754968482281       split increased to            2  itime      977268 
+ acceleration/energy drift too large   1.74196085390996     
+   10.0783949574867       split increased to            2  itime      971404 
   itsplit           1
- acceleration/energy drift too large   5.28695172418724     
-   10.2103400580465       split increased to            2  itime      977743 
+ acceleration/energy drift too large   2.64241839419164     
+   10.3992457144291       split increased to            2  itime      971456 
   itsplit           1
- acceleration/energy drift too large   6.82973346182547     
-   19.2601452094172       split increased to            2  itime      978248 
+ acceleration/energy drift too large   2.79979766757045     
+   10.0970445429678       split increased to            2  itime      971461 
   itsplit           1
- acceleration/energy drift too large   7.34499580150634     
-   22.3818324423913       split increased to            2  itime      978601 
+ acceleration/energy drift too large   7.28424350355136     
+   27.9143801763084       split increased to            2  itime      974239 
   itsplit           1
- acceleration/energy drift too large   4.17722657933207     
-   11.6966611800133       split increased to            2  itime      978686 
+ acceleration/energy drift too large   6.77088601301388     
+   17.8048840964558       split increased to            2  itime      974768 
   itsplit           1
-Velocities reset to random values, time           195999.80
- acceleration/energy drift too large   9.79631273152222     
-   44.7981053851691       split increased to            2  itime      980537 
-  itsplit           1
- acceleration/energy drift too large   5.35527741767722     
-   12.2585824378987       split increased to            2  itime      981156 
-  itsplit           1
- acceleration/energy drift too large   2.31600135654920     
-   17.0487953303807       split increased to            2  itime      981157 
+ acceleration/energy drift too large   3.41386834696525     
+   18.7708967601219       split increased to            2  itime      975371 
   itsplit           1
- acceleration/energy drift too large   16.9278348650945     
-   100.156528831723       split increased to            2  itime      981456 
+ acceleration/energy drift too large   5.64915319002032     
+   19.7791371229969       split increased to            2  itime      976398 
   itsplit           1
- acceleration/energy drift too large   3.59784435033988     
-   18.6213091640340       split increased to            2  itime      981624 
+ acceleration/energy drift too large   2.19824426915873     
+   13.7488292455081       split increased to            2  itime      976399 
   itsplit           1
- acceleration/energy drift too large   5.07002279710988     
-   24.9796199771663       split increased to            2  itime      981870 
+ acceleration/energy drift too large   3.40026348768391     
+   11.6355733357343       split increased to            2  itime      977211 
   itsplit           1
- acceleration/energy drift too large   18.0386805313001     
-   101.252454451581       split increased to            2  itime      983100 
+ acceleration/energy drift too large   4.62967632892734     
+   25.9496933402413       split increased to            2  itime      977298 
   itsplit           1
- acceleration/energy drift too large   4.26570693109808     
-   12.1164357680677       split increased to            2  itime      983545 
+ acceleration/energy drift too large   4.25437884762082     
+   12.7948437978389       split increased to            2  itime      977367 
   itsplit           1
- acceleration/energy drift too large   6.36053851009990     
-   14.1828870345112       split increased to            2  itime      984806 
+ acceleration/energy drift too large   9.94726087019807     
+   31.8640676380020       split increased to            2  itime      979575 
   itsplit           1
- acceleration/energy drift too large   5.69526329989561     
-   11.2653727455500       split increased to            2  itime      985209 
+ acceleration/energy drift too large   8.40906112675185     
+   23.8825372491426       split increased to            2  itime      979666 
   itsplit           1
- acceleration/energy drift too large   7.84097513330115     
-   18.1059462194318       split increased to            2  itime      986539 
+ acceleration/energy drift too large   4.92768374585870     
+   11.8255044210021       split increased to            2  itime      979974 
   itsplit           1
- acceleration/energy drift too large   6.82660339043928     
-   27.5577241300079       split increased to            2  itime      986681 
+Velocities reset to random values, time           195999.80
+ acceleration/energy drift too large   7.19092710727202     
+   21.4155174017609       split increased to            2  itime      980160 
   itsplit           1
- acceleration/energy drift too large   5.00887794572484     
-   10.9137786957706       split increased to            2  itime      987058 
+ acceleration/energy drift too large   8.83714967451627     
+   13.6365806970922       split increased to            2  itime      980182 
   itsplit           1
- acceleration/energy drift too large   5.37489105492226     
-   14.7933437916205       split increased to            2  itime      988822 
+ acceleration/energy drift too large   6.33340887021015     
+   14.4224467611517       split increased to            2  itime      980385 
   itsplit           1
- acceleration/energy drift too large   6.38363051258052     
-   11.7961625988396       split increased to            2  itime      988899 
+ acceleration/energy drift too large   6.13045624251346     
+   15.4198344809008       split increased to            2  itime      980497 
   itsplit           1
- acceleration/energy drift too large   6.09571272777788     
-   10.9097328663435       split increased to            2  itime      989436 
+ acceleration/energy drift too large   3.47999039597566     
+   15.6363206461745       split increased to            4  itime      980497 
   itsplit           1
- acceleration/energy drift too large   4.88233111833118     
-   13.1355262665850       split increased to            2  itime      989437 
+ acceleration/energy drift too large   9.69278117428418     
+   29.5493747110829       split increased to            2  itime      980816 
   itsplit           1
-Velocities reset to random values, time           197999.80
- acceleration/energy drift too large   6.45937227896111     
-   12.4014362998550       split increased to            2  itime      990049 
+ acceleration/energy drift too large   2.88338361369947     
+   10.5330328744217       split increased to            2  itime      981025 
   itsplit           1
- acceleration/energy drift too large   8.44443526310172     
-   21.8259089982040       split increased to            2  itime      990238 
+ acceleration/energy drift too large   1.75623295445173     
+   10.0149509658342       split increased to            2  itime      981075 
   itsplit           1
- acceleration/energy drift too large   4.15198521348158     
-   11.3841048992642       split increased to            2  itime      990300 
+ acceleration/energy drift too large   5.90602929463566     
+   15.7916821896797       split increased to            2  itime      981966 
   itsplit           1
- acceleration/energy drift too large   6.87585943391609     
-   20.0924402965460       split increased to            2  itime      990326 
+ acceleration/energy drift too large   6.62225656027006     
+   18.2322309048501       split increased to            2  itime      985370 
   itsplit           1
- acceleration/energy drift too large   4.64008693769738     
-   11.7873493510150       split increased to            2  itime      990335 
+ acceleration/energy drift too large   2.43500865576060     
+   10.3662887311496       split increased to            2  itime      985510 
   itsplit           1
- acceleration/energy drift too large   6.92521766370252     
-   20.8247225340197       split increased to            2  itime      990358 
+ acceleration/energy drift too large   1.83401550880990     
+   10.0080430305350       split increased to            2  itime      985535 
   itsplit           1
- acceleration/energy drift too large   7.97906466613594     
-   26.9169588127688       split increased to            2  itime      990468 
+ acceleration/energy drift too large   6.00730096517442     
+   16.1516098305455       split increased to            2  itime      986308 
   itsplit           1
- acceleration/energy drift too large   6.76654827642853     
-   18.6070662507973       split increased to            2  itime      990706 
+ acceleration/energy drift too large   9.54776854687486     
+   31.2729096382561       split increased to            2  itime      986618 
   itsplit           1
- acceleration/energy drift too large   1.93643402696513     
-   11.5307819249446       split increased to            2  itime      991544 
+ acceleration/energy drift too large   1.71904169356812     
+   12.9418097180014       split increased to            2  itime      986619 
   itsplit           1
- acceleration/energy drift too large   8.11243185777254     
-   46.5351456509057       split increased to            2  itime      992799 
+ acceleration/energy drift too large   3.87813960977231     
+   17.4025074019065       split increased to            2  itime      987731 
   itsplit           1
- acceleration/energy drift too large   2.07194747691045     
-   10.5073256515869       split increased to            2  itime      993279 
+ acceleration/energy drift too large   6.84591415884719     
+   30.2275212768287       split increased to            2  itime      988481 
   itsplit           1
- acceleration/energy drift too large   6.58702300177252     
-   16.0689055943990       split increased to            2  itime      994185 
+ acceleration/energy drift too large   3.31590013256418     
+   12.3335526564077       split increased to            2  itime      988541 
   itsplit           1
- acceleration/energy drift too large   2.38741619215232     
-   10.4985549579804       split increased to            2  itime      994812 
+ acceleration/energy drift too large   5.20933045288123     
+   10.8296380310782       split increased to            2  itime      988706 
   itsplit           1
- acceleration/energy drift too large   7.04936725061493     
-   22.3586998263541       split increased to            2  itime      994934 
+ acceleration/energy drift too large   3.31087648100204     
+   22.9818506843464       split increased to            2  itime      989255 
   itsplit           1
- acceleration/energy drift too large   2.52390664567544     
-   14.9951271877293       split increased to            2  itime      995056 
+Velocities reset to random values, time           197999.80
+ acceleration/energy drift too large   9.11256032554574     
+   39.9633884874971       split increased to            2  itime      991843 
   itsplit           1
- acceleration/energy drift too large   2.36550346214416     
-   15.4781009056042       split increased to            2  itime      995379 
+ acceleration/energy drift too large   2.79671407956713     
+   11.0466130770807       split increased to            2  itime      995399 
   itsplit           1
- acceleration/energy drift too large   1.84701022052493     
-   17.6382335341853       split increased to            2  itime      995704 
+ acceleration/energy drift too large   3.32735704281660     
+   26.0476439871136       split increased to            2  itime      995850 
   itsplit           1
- acceleration/energy drift too large   1.91443815475092     
-   11.5809003734341       split increased to            2  itime      995708 
+ acceleration/energy drift too large   5.70606494329088     
+   18.9232877605009       split increased to            2  itime      996165 
   itsplit           1
- acceleration/energy drift too large   2.46266839065221     
-   15.2083691587269       split increased to            2  itime      995713 
+ acceleration/energy drift too large   2.15313495296238     
+   10.7163317384939       split increased to            2  itime      997693 
   itsplit           1
- acceleration/energy drift too large   2.68861612893014     
-   10.7539964415590       split increased to            2  itime      995900 
+ acceleration/energy drift too large   3.52595136620705     
+   15.6035016261854       split increased to            2  itime      997746 
   itsplit           1
- acceleration/energy drift too large   11.8422838541175     
-   51.2133965489028       split increased to            2  itime      996163 
+ acceleration/energy drift too large   2.95330354173708     
+   10.6437617973183       split increased to            2  itime      997894 
   itsplit           1
- acceleration/energy drift too large   12.2713475104519     
-   57.0841537923038       split increased to            2  itime      996269 
+ acceleration/energy drift too large   4.95726442868944     
+   11.3582533885453       split increased to            2  itime      998796 
   itsplit           1
- acceleration/energy drift too large   3.88864102064865     
-   21.5518251888305       split increased to            4  itime      996269 
+ acceleration/energy drift too large   13.3049159475383     
+   61.0775050886759       split increased to            2  itime      998832 
   itsplit           1
- acceleration/energy drift too large   2.90501586657126     
-   11.0613783374880       split increased to            2  itime      998744 
+ acceleration/energy drift too large   2.55159374061974     
+   24.5946327373787       split increased to            2  itime      998833 
   itsplit           1
- acceleration/energy drift too large   3.15445633832160     
-   18.7205079903522       split increased to            2  itime      998792 
+ acceleration/energy drift too large   4.59810549927951     
+   12.5766521811184       split increased to            2  itime      998836 
   itsplit           1
- acceleration/energy drift too large   7.05952408139258     
-   16.4341255421737       split increased to            2  itime      999843 
+ acceleration/energy drift too large   3.53113800926296     
+   10.4074034296021       split increased to            2  itime      998951 
   itsplit           1
- acceleration/energy drift too large   2.47601394342145     
-   10.0446178545671       split increased to            2  itime      999844 
+ acceleration/energy drift too large   6.00947711161932     
+   13.4096161189907       split increased to            2  itime      999302 
   itsplit           1
 Velocities reset to random values, time           199999.80
  REMD synchro at     1000000
@@ -3774,12 +3543,12 @@ Velocities reset to random values, time           199999.80
 ===================================  Timing  ===================================
 
                   MD calculations setup:    3.90625E-03
-           Energy & gradient evaluation:    3.10430E+02
+           Energy & gradient evaluation:    3.78145E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.31941E+02
+                               MD steps:    4.14180E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   331.957031250000       sec
+ Total wall clock time   414.195312500000       sec
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB000.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB000.stat
index c1eb020..d886932 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB000.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB000.stat
@@ -1,101 +1,101 @@
          0           0.00      25.637     656.859     682.496   0.00 1.000 0.000 0.308 8.665     232.592     250.000       7.001    0 
-     10000        2000.00      22.428     -60.103     -37.675   2.52 0.357 0.667 0.242 1.907     203.480     250.000       6.634    0 
-     20000        4000.00      34.859     -50.135     -15.276   3.21 0.357 0.643 0.247 2.044     316.260     250.000       7.010    0 
-     30000        6000.00      25.402     -63.537     -38.135   2.64 0.500 0.632 0.311 1.885     230.461     250.000       6.617    0 
-     40000        8000.00      25.335     -53.782     -28.447   2.91 0.429 0.455 0.260 1.718     229.848     250.000       6.711    0 
-     50000       10000.00      25.967     -51.679     -25.712   3.33 0.357 0.583 0.277 1.637     235.582     250.000       7.084    0 
-     60000       12000.00      26.682     -51.155     -24.473   3.24 0.214 0.727 0.219 1.289     242.077     250.000       7.109    0 
-     70000       14000.00      28.726     -66.429     -37.703   2.54 0.286 0.750 0.307 0.464     260.620     250.000       6.504    0 
-     80000       16000.00      30.041     -56.971     -26.930   3.02 0.214 0.769 0.325 1.251     272.548     250.000       6.890    0 
-     90000       18000.00      24.073     -64.150     -40.077   2.41 0.357 0.706 0.313 0.788     218.401     250.000       6.629    0 
-    100000       20000.00      23.366     -66.133     -42.767   2.87 0.214 0.700 0.241 1.113     211.988     250.000       6.928    0 
-    110000       22000.00      29.448     -65.189     -35.741   2.56 0.357 0.706 0.289 3.134     267.165     250.000       6.543    0 
-    120000       24000.00      26.733     -58.851     -32.118   2.71 0.286 0.733 0.321 1.494     242.538     250.000       6.846    0 
-    130000       26000.00      26.676     -58.892     -32.216   2.82 0.286 0.714 0.266 1.094     242.020     250.000       6.742    0 
-    140000       28000.00      25.584     -59.927     -34.343   3.26 0.214 0.786 0.312 1.439     232.112     250.000       6.581    0 
-    150000       30000.00      29.899     -65.488     -35.588   2.61 0.571 0.579 0.306 1.646     271.263     250.000       6.506    0 
-    160000       32000.00      26.231     -64.128     -37.897   2.24 0.429 0.571 0.318 0.728     237.983     250.000       6.676    0 
-    170000       34000.00      31.006     -51.136     -20.129   2.66 0.286 0.733 0.267 3.102     281.305     250.000       6.475    0 
-    180000       36000.00      19.802     -64.572     -44.770   2.80 0.429 0.667 0.273 2.758     179.650     250.000       6.596    0 
-    190000       38000.00      21.394     -57.876     -36.482   3.05 0.214 0.769 0.234 1.997     194.102     250.000       6.941    0 
-    200000       40000.00      21.283     -62.560     -41.277   2.65 0.429 0.647 0.318 1.604     193.088     250.000       6.620    0 
-    210000       42000.00      26.477     -59.338     -32.860   3.00 0.571 0.556 0.263 2.433     240.216     250.000       6.649    0 
-    220000       44000.00      24.342     -53.893     -29.552   2.49 0.357 0.643 0.341 2.886     220.841     250.000       6.709    0 
-    230000       46000.00      24.278     -64.891     -40.613   2.68 0.357 0.706 0.313 1.203     220.262     250.000       6.419    0 
-    240000       48000.00      20.275     -51.521     -31.246   2.73 0.143 0.833 0.303 1.578     183.943     250.000       6.779    0 
-    250000       50000.00      20.984     -59.621     -38.637   3.08 0.286 0.750 0.307 2.569     190.379     250.000       6.719    0 
-    260000       52000.00      25.615     -66.401     -40.785   2.97 0.571 0.556 0.321 1.544     232.395     250.000       6.904    0 
-    270000       54000.00      27.050     -55.057     -28.007   3.56 0.429 0.684 0.270 1.600     245.410     250.000       6.781    0 
-    280000       56000.00      21.679     -51.289     -29.610   3.03 0.429 0.500 0.227 2.928     196.687     250.000       6.933    0 
-    290000       58000.00      22.309     -53.119     -30.809   2.46 0.643 0.438 0.276 2.042     202.402     250.000       6.845    0 
-    300000       60000.00      24.879     -62.241     -37.362   2.78 0.429 0.700 0.295 1.183     225.715     250.000       6.474    0 
-    310000       62000.00      22.141     -63.526     -41.385   3.23 0.214 0.786 0.302 2.304     200.877     250.000       6.674    0 
-    320000       64000.00      21.229     -70.265     -49.035   2.67 0.286 0.750 0.332 0.775     192.604     250.000       6.607    0 
-    330000       66000.00      20.185     -63.603     -43.418   2.94 0.286 0.733 0.339 1.274     183.132     250.000       6.450    0 
-    340000       68000.00      23.632     -59.985     -36.353   2.59 0.286 0.714 0.312 1.223     214.405     250.000       6.611    0 
-    350000       70000.00      24.294     -59.150     -34.855   2.77 0.429 0.625 0.347 1.779     220.412     250.000       6.691    0 
-    360000       72000.00      27.031     -63.644     -36.613   2.72 0.357 0.583 0.246 1.314     245.239     250.000       6.930    0 
-    370000       74000.00      21.096     -60.794     -39.698   2.73 0.500 0.562 0.321 1.072     191.398     250.000       6.737    0 
-    380000       76000.00      18.072     -58.964     -40.892   2.92 0.357 0.688 0.259 1.394     163.963     250.000       6.636    0 
-    390000       78000.00      24.376     -48.980     -24.603   2.96 0.429 0.538 0.227 2.665     221.156     250.000       7.128    0 
-    400000       80000.00      21.088     -57.815     -36.728   2.83 0.500 0.562 0.230 3.296     191.318     250.000       6.733    0 
-    410000       82000.00      33.620     -59.433     -25.813   2.90 0.357 0.688 0.273 2.029     305.014     250.000       6.817    0 
-    420000       84000.00      26.199     -56.884     -30.685   2.70 0.429 0.714 0.305 3.776     237.693     250.000       6.595    0 
-    430000       86000.00      25.680     -67.919     -42.239   2.59 0.357 0.737 0.318 1.483     232.979     250.000       6.603    0 
-    440000       88000.00      22.870     -61.755     -38.885   2.51 0.214 0.800 0.252 2.004     207.487     250.000       6.573    0 
-    450000       90000.00      26.338     -58.499     -32.162   2.95 0.500 0.562 0.321 1.727     238.948     250.000       6.720    0 
-    460000       92000.00      28.962     -61.523     -32.562   2.82 0.429 0.647 0.267 1.272     262.756     250.000       6.748    0 
-    470000       94000.00      24.578     -57.814     -33.236   2.99 0.286 0.733 0.276 2.557     222.988     250.000       6.608    0 
-    480000       96000.00      24.321     -62.995     -38.674   3.25 0.286 0.692 0.287 0.978     220.652     250.000       6.751    0 
-    490000       98000.00      28.299     -63.288     -34.990   3.05 0.357 0.667 0.303 0.877     256.740     250.000       6.720    0 
-    500000      100000.00      19.648     -61.521     -41.872   3.16 0.643 0.471 0.275 0.492     178.260     250.000       6.844    0 
-    510000      102000.00      25.009     -62.579     -37.570   2.34 0.429 0.684 0.289 1.773     226.895     250.000       6.591    0 
-    520000      104000.00      26.425     -54.596     -28.171   2.68 0.286 0.692 0.287 1.049     239.741     250.000       6.608    0 
-    530000      106000.00      28.155     -61.010     -32.855   2.98 0.286 0.692 0.248 1.114     255.435     250.000       6.624    0 
-    540000      108000.00      27.773     -48.383     -20.610   2.95 0.000 1.000 0.283 1.504     251.973     250.000       6.716    0 
-    550000      110000.00      29.647     -63.911     -34.264   2.49 0.357 0.688 0.298 1.822     268.977     250.000       6.676    0 
-    560000      112000.00      24.794     -58.742     -33.948   2.91 0.143 0.818 0.223 0.868     224.941     250.000       6.865    0 
-    570000      114000.00      26.202     -53.404     -27.202   2.60 0.286 0.692 0.248 1.046     237.716     250.000       6.816    0 
-    580000      116000.00      23.164     -67.126     -43.961   2.81 0.357 0.643 0.315 1.240     210.159     250.000       6.697    0 
-    590000      118000.00      22.234     -55.847     -33.613   2.64 0.286 0.733 0.324 2.717     201.719     250.000       6.595    0 
-    600000      120000.00      25.975     -66.612     -40.637   2.84 0.143 0.875 0.312 0.580     235.659     250.000       6.571    0 
-    610000      122000.00      25.450     -61.560     -36.110   2.90 0.500 0.588 0.342 2.544     230.894     250.000       6.820    0 
-    620000      124000.00      20.339     -57.971     -37.632   2.78 0.429 0.684 0.306 1.574     184.524     250.000       6.685    0 
-    630000      126000.00      25.540     -60.999     -35.459   2.73 0.500 0.588 0.278 2.180     231.711     250.000       6.522    0 
-    640000      128000.00      25.386     -63.562     -38.176   2.89 0.143 0.875 0.301 1.680     230.311     250.000       6.403    0 
-    650000      130000.00      21.028     -66.013     -44.985   2.60 0.429 0.600 0.264 0.780     190.777     250.000       6.570    0 
-    660000      132000.00      28.079     -64.127     -36.048   2.70 0.357 0.688 0.301 1.074     254.751     250.000       6.626    0 
-    670000      134000.00      27.638     -64.901     -37.263   2.95 0.286 0.765 0.254 0.647     250.749     250.000       6.506    0 
-    680000      136000.00      24.622     -55.733     -31.111   2.81 0.286 0.733 0.300 1.541     223.385     250.000       6.636    0 
-    690000      138000.00      18.084     -56.727     -38.643   3.21 0.214 0.750 0.242 2.214     164.067     250.000       7.022    0 
-    700000      140000.00      26.042     -61.360     -35.317   2.53 0.357 0.706 0.265 1.799     236.270     250.000       6.807    0 
-    710000      142000.00      24.339     -48.405     -24.066   3.39 0.357 0.615 0.315 2.776     220.813     260.000       6.994    0 
-    720000      144000.00      29.030     -58.581     -29.551   2.84 0.286 0.714 0.292 1.023     263.373     260.000       6.718    0 
-    730000      146000.00      28.310     -60.975     -32.665   2.74 0.714 0.444 0.265 1.498     256.845     260.000       6.766    0 
-    740000      148000.00      23.125     -58.902     -35.777   2.52 0.643 0.654 0.309 1.462     209.802     260.000       6.413    0 
-    750000      150000.00      27.741     -47.895     -20.153   2.81 0.357 0.615 0.238 2.220     251.684     260.000       7.074    0 
-    760000      152000.00      23.515     -70.271     -46.756   2.63 0.500 0.562 0.293 1.293     213.336     260.000       6.863    0 
-    770000      154000.00      28.399     -65.816     -37.418   2.65 0.429 0.625 0.233 2.414     257.648     260.000       6.848    0 
-    780000      156000.00      25.696     -62.229     -36.532   2.62 0.429 0.667 0.253 2.321     233.130     260.000       6.708    0 
-    790000      158000.00      20.868     -60.472     -39.604   2.75 0.500 0.650 0.284 1.173     189.327     260.000       6.391    0 
-    800000      160000.00      24.429     -61.252     -36.822   2.44 0.286 0.765 0.305 1.653     221.637     260.000       6.555    0 
-    810000      162000.00      26.370     -65.183     -38.813   2.86 0.571 0.429 0.273 2.181     239.241     250.000       7.045    0 
-    820000      164000.00      25.763     -61.429     -35.666   2.47 0.357 0.722 0.346 2.028     233.734     250.000       6.577    0 
-    830000      166000.00      18.948     -57.900     -38.952   2.89 0.429 0.600 0.255 1.844     171.907     250.000       6.842    0 
-    840000      168000.00      22.873     -63.199     -40.326   4.21 0.286 0.692 0.248 1.090     207.514     250.000       7.033    0 
-    850000      170000.00      26.078     -62.549     -36.471   4.35 0.357 0.667 0.242 2.167     236.592     250.000       6.815    0 
-    860000      172000.00      21.068     -63.628     -42.560   4.58 0.143 0.867 0.248 1.506     191.141     250.000       6.685    0 
-    870000      174000.00      22.913     -64.389     -41.476   4.90 0.286 0.750 0.250 1.176     207.879     250.000       6.874    0 
-    880000      176000.00      23.566     -58.843     -35.277   4.57 0.357 0.667 0.233 1.243     213.804     250.000       6.899    0 
-    890000      178000.00      23.636     -61.537     -37.901   4.19 0.286 0.765 0.299 1.566     214.438     250.000       6.817    0 
-    900000      180000.00      23.976     -62.102     -38.126   4.40 0.357 0.688 0.244 1.820     217.523     250.000       6.879    0 
-    910000      182000.00      20.827     -60.951     -40.123   4.94 0.286 0.750 0.239 1.316     188.956     250.000       7.209    0 
-    920000      184000.00      22.455     -62.436     -39.982   4.21 0.214 0.812 0.253 0.950     203.720     250.000       6.779    0 
-    930000      186000.00      25.376     -57.922     -32.546   4.34 0.357 0.688 0.312 1.753     230.225     250.000       6.874    0 
-    940000      188000.00      19.857     -66.618     -46.761   4.47 0.286 0.765 0.249 1.369     180.155     250.000       6.947    0 
-    950000      190000.00      24.422     -62.149     -37.727   4.08 0.214 0.769 0.311 1.322     221.568     250.000       7.021    0 
-    960000      192000.00      23.397     -62.022     -38.624   4.43 0.214 0.727 0.252 3.121     212.272     250.000       6.510    0 
-    970000      194000.00      30.564     -62.777     -32.213   4.39 0.214 0.800 0.255 1.251     277.292     250.000       6.752    0 
-    980000      196000.00      23.409     -63.227     -39.818   4.18 0.214 0.812 0.276 0.939     212.376     250.000       6.593    0 
-    990000      198000.00      27.439     -67.132     -39.693   4.48 0.214 0.812 0.241 1.992     248.942     250.000       6.602    0 
-   1000000      200000.00      29.994     -58.362     -28.367   4.43 0.214 0.812 0.264 1.652     272.124     250.000       6.789    0 
+     10000        2000.00      19.440     -59.840     -40.400   2.70 0.500 0.632 0.254 1.454     176.371     250.000       6.700    0 
+     20000        4000.00      32.995     -59.955     -26.960   2.73 0.500 0.650 0.316 1.727     299.343     250.000       6.316    0 
+     30000        6000.00      26.564     -55.738     -29.174   2.74 0.429 0.667 0.273 1.516     241.002     250.000       6.659    0 
+     40000        8000.00      29.437     -57.645     -28.208   2.80 0.429 0.600 0.294 1.137     267.065     250.000       6.967    0 
+     50000       10000.00      22.150     -62.224     -40.073   2.77 0.357 0.643 0.318 2.018     200.961     250.000       6.744    0 
+     60000       12000.00      25.992     -60.983     -34.991   3.01 0.571 0.579 0.278 1.843     235.817     250.000       6.996    0 
+     70000       14000.00      26.919     -59.599     -32.680   2.89 0.286 0.714 0.201 1.972     244.222     250.000       6.907    0 
+     80000       16000.00      27.112     -46.517     -19.405   2.74 0.429 0.647 0.294 1.056     245.974     250.000       6.663    0 
+     90000       18000.00      21.684     -68.287     -46.603   2.59 0.429 0.667 0.270 0.790     196.730     250.000       6.696    0 
+    100000       20000.00      20.912     -64.903     -43.991   2.55 0.286 0.692 0.276 1.056     189.723     250.000       6.569    0 
+    110000       22000.00      31.382     -68.911     -37.529   2.56 0.357 0.737 0.316 2.415     284.710     250.000       6.459    0 
+    120000       24000.00      28.143     -60.521     -32.377   2.84 0.214 0.769 0.374 2.772     255.332     250.000       6.976    0 
+    130000       26000.00      28.471     -50.867     -22.396   2.72 0.286 0.733 0.273 2.120     258.307     250.000       6.660    0 
+    140000       28000.00      22.261     -62.535     -40.274   2.63 0.429 0.647 0.249 0.970     201.964     250.000       6.909    0 
+    150000       30000.00      31.068     -58.073     -27.004   3.37 0.286 0.714 0.240 1.958     281.868     250.000       6.696    0 
+    160000       32000.00      23.887     -62.658     -38.771   2.68 0.500 0.533 0.276 1.438     216.714     250.000       6.857    0 
+    170000       34000.00      28.482     -47.754     -19.272   2.13 0.643 0.471 0.278 2.346     258.402     250.000       6.706    0 
+    180000       36000.00      20.292     -62.615     -42.322   2.58 0.429 0.647 0.345 1.383     184.102     250.000       6.837    0 
+    190000       38000.00      18.744     -61.244     -42.500   2.66 0.429 0.600 0.294 1.688     170.055     250.000       6.859    0 
+    200000       40000.00      23.813     -57.964     -34.151   2.49 0.571 0.500 0.301 1.685     216.044     250.000       6.713    0 
+    210000       42000.00      24.802     -55.607     -30.805   2.98 0.357 0.667 0.303 3.039     225.015     260.000       6.665    0 
+    220000       44000.00      28.424     -53.412     -24.989   2.63 0.357 0.583 0.261 1.933     257.875     260.000       6.610    0 
+    230000       46000.00      25.425     -48.571     -23.146   2.78 0.214 0.727 0.227 1.417     230.667     260.000       7.005    0 
+    240000       48000.00      15.530     -50.792     -35.262   3.14 0.357 0.667 0.264 1.930     140.899     260.000       6.975    0 
+    250000       50000.00      26.932     -54.223     -27.292   2.79 0.500 0.562 0.324 1.236     244.338     260.000       6.645    0 
+    260000       52000.00      24.679     -62.594     -37.915   2.90 0.357 0.688 0.273 1.920     223.898     260.000       6.545    0 
+    270000       54000.00      28.816     -63.887     -35.071   2.65 0.357 0.667 0.342 0.883     261.431     260.000       6.704    0 
+    280000       56000.00      24.744     -58.265     -33.521   2.69 0.357 0.688 0.293 1.682     224.486     260.000       6.596    0 
+    290000       58000.00      24.027     -62.218     -38.191   2.84 0.429 0.625 0.284 2.531     217.985     260.000       6.588    0 
+    300000       60000.00      24.806     -54.677     -29.871   3.02 0.286 0.714 0.273 2.150     225.051     260.000       6.899    0 
+    310000       62000.00      23.237     -59.388     -36.151   2.71 0.500 0.533 0.252 2.661     210.817     250.000       7.063    0 
+    320000       64000.00      18.134     -55.770     -37.636   3.15 0.286 0.692 0.245 1.159     164.524     250.000       7.031    0 
+    330000       66000.00      23.843     -67.768     -43.925   2.81 0.571 0.556 0.290 1.564     216.314     250.000       6.606    0 
+    340000       68000.00      25.785     -63.830     -38.045   2.53 0.429 0.647 0.286 0.905     233.937     250.000       6.436    0 
+    350000       70000.00      20.577     -66.196     -45.620   2.83 0.357 0.688 0.287 0.671     186.682     250.000       6.634    0 
+    360000       72000.00      22.730     -59.258     -36.527   2.98 0.286 0.778 0.313 2.123     206.221     250.000       6.516    0 
+    370000       74000.00      25.812     -65.371     -39.558   3.05 0.357 0.643 0.260 1.230     234.182     250.000       6.966    0 
+    380000       76000.00      20.724     -64.931     -44.206   2.76 0.214 0.824 0.273 1.462     188.023     250.000       6.489    0 
+    390000       78000.00      20.693     -50.401     -29.708   2.63 0.286 0.714 0.247 1.637     187.738     250.000       6.655    0 
+    400000       80000.00      19.695     -59.772     -40.077   2.55 0.500 0.588 0.337 5.011     178.682     250.000       6.765    0 
+    410000       82000.00      31.718     -61.434     -29.716   2.57 0.357 0.722 0.258 0.806     287.759     260.000       6.843    0 
+    420000       84000.00      27.908     -48.341     -20.433   2.61 0.357 0.667 0.312 2.469     253.196     260.000       7.187    0 
+    430000       86000.00      31.342     -54.132     -22.791   2.70 0.214 0.786 0.279 2.222     284.349     260.000       6.668    0 
+    440000       88000.00      21.942     -57.930     -35.988   2.69 0.357 0.667 0.285 1.527     199.067     260.000       6.472    0 
+    450000       90000.00      26.895     -61.438     -34.542   3.23 0.357 0.667 0.300 2.198     244.007     260.000       6.732    0 
+    460000       92000.00      33.124     -56.061     -22.937   2.49 0.357 0.667 0.306 0.845     300.516     260.000       6.538    0 
+    470000       94000.00      26.446     -52.041     -25.594   2.78 0.429 0.700 0.311 2.625     239.934     260.000       6.724    0 
+    480000       96000.00      22.995     -59.778     -36.783   2.84 0.286 0.778 0.263 1.070     208.621     260.000       6.422    0 
+    490000       98000.00      28.820     -58.175     -29.355   2.87 0.357 0.688 0.295 1.031     261.470     260.000       6.626    0 
+    500000      100000.00      21.160     -40.660     -19.500   2.95 0.286 0.600 0.273 1.263     191.976     260.000       7.210    0 
+    510000      102000.00      24.429     -44.881     -20.451   3.57 0.286 0.733 0.355 1.240     221.634     270.000       7.237    0 
+    520000      104000.00      31.077     -44.934     -13.857   3.22 0.214 0.727 0.231 3.409     281.948     270.000       7.558    0 
+    530000      106000.00      31.892     -45.326     -13.434   2.56 0.214 0.786 0.325 2.479     289.344     270.000       7.054    0 
+    540000      108000.00      33.562     -30.228       3.334   3.11 0.286 0.636 0.351 3.573     304.494     270.000       7.308    0 
+    550000      110000.00      29.714     -40.640     -10.926   2.96 0.357 0.583 0.277 1.975     269.583     270.000       6.814    0 
+    560000      112000.00      27.776     -46.464     -18.688   3.24 0.357 0.667 0.352 2.016     251.998     270.000       6.829    0 
+    570000      114000.00      27.644     -47.823     -20.178   2.57 0.357 0.737 0.364 2.127     250.804     270.000       6.782    0 
+    580000      116000.00      25.395     -49.589     -24.194   2.79 0.286 0.750 0.321 1.228     230.400     270.000       6.876    0 
+    590000      118000.00      26.691     -49.438     -22.747   2.10 0.357 0.706 0.337 1.329     242.152     270.000       6.529    0 
+    600000      120000.00      28.327     -55.462     -27.135   2.77 0.357 0.706 0.313 1.005     257.001     270.000       6.925    0 
+    610000      122000.00      27.847     -49.234     -21.387   3.03 0.286 0.692 0.294 2.319     252.642     260.000       6.530    0 
+    620000      124000.00      19.511     -50.797     -31.286   3.09 0.429 0.667 0.336 1.626     177.013     260.000       6.548    0 
+    630000      126000.00      25.973     -51.778     -25.806   3.23 0.357 0.722 0.265 2.200     235.639     260.000       6.568    0 
+    640000      128000.00      25.887     -58.269     -32.382   2.06 0.571 0.636 0.306 1.347     234.857     260.000       6.609    0 
+    650000      130000.00      21.363     -55.887     -34.524   2.96 0.357 0.583 0.201 1.024     193.815     260.000       6.785    0 
+    660000      132000.00      33.884     -45.919     -12.035   4.07 0.286 0.733 0.194 1.046     307.416     260.000       7.332    0 
+    670000      134000.00      23.524     -57.083     -33.558   2.36 0.357 0.667 0.306 1.144     213.424     260.000       6.519    0 
+    680000      136000.00      26.367     -57.740     -31.372   2.51 0.286 0.667 0.322 1.246     239.219     260.000       6.809    0 
+    690000      138000.00      19.597     -55.669     -36.072   2.71 0.214 0.786 0.295 1.585     177.791     260.000       6.792    0 
+    700000      140000.00      29.572     -53.911     -24.339   2.10 0.286 0.667 0.311 1.273     268.294     260.000       6.942    0 
+    710000      142000.00      28.767     -52.597     -23.830   2.44 0.357 0.737 0.242 1.072     260.985     260.000       6.866    0 
+    720000      144000.00      34.820     -56.789     -21.969   2.51 0.286 0.667 0.284 1.435     315.903     260.000       6.755    0 
+    730000      146000.00      26.232     -49.675     -23.443   2.73 0.286 0.556 0.333 1.246     237.987     260.000       7.224    0 
+    740000      148000.00      24.472     -54.412     -29.940   2.61 0.500 0.562 0.392 1.898     222.023     260.000       7.122    0 
+    750000      150000.00      27.129     -55.520     -28.391   2.46 0.286 0.636 0.322 1.719     246.129     260.000       7.012    0 
+    760000      152000.00      22.065     -57.330     -35.265   2.75 0.357 0.545 0.277 1.215     200.182     260.000       7.387    0 
+    770000      154000.00      23.076     -40.019     -16.943   2.58 0.286 0.500 0.307 3.232     209.360     260.000       6.984    0 
+    780000      156000.00      26.573     -50.956     -24.383   2.64 0.643 0.500 0.303 1.184     241.085     260.000       6.731    0 
+    790000      158000.00      24.457     -56.938     -32.481   3.13 0.357 0.643 0.266 1.316     221.886     260.000       6.755    0 
+    800000      160000.00      26.564     -56.367     -29.803   2.88 0.357 0.615 0.220 1.709     241.003     260.000       7.004    0 
+    810000      162000.00      26.351     -63.868     -37.517   2.73 0.429 0.684 0.285 2.013     239.072     250.000       6.596    0 
+    820000      164000.00      22.211     -57.899     -35.688   2.88 0.429 0.684 0.313 1.226     201.511     250.000       6.533    0 
+    830000      166000.00      21.249     -63.365     -42.116   2.86 0.500 0.611 0.290 1.547     192.783     250.000       6.448    0 
+    840000      168000.00      21.192     -59.317     -38.125   2.79 0.286 0.733 0.300 0.920     192.266     250.000       6.459    0 
+    850000      170000.00      29.431     -58.718     -29.287   2.66 0.429 0.714 0.318 2.111     267.012     250.000       6.438    0 
+    860000      172000.00      19.548     -58.289     -38.740   2.91 0.143 0.867 0.264 1.494     177.352     250.000       6.763    0 
+    870000      174000.00      27.294     -53.284     -25.990   2.89 0.357 0.706 0.342 1.848     247.629     250.000       6.744    0 
+    880000      176000.00      24.401     -57.146     -32.744   2.66 0.500 0.588 0.230 1.308     221.380     250.000       6.902    0 
+    890000      178000.00      22.615     -57.932     -35.316   2.74 0.429 0.700 0.368 1.581     205.176     250.000       6.330    0 
+    900000      180000.00      24.118     -59.417     -35.299   2.61 0.357 0.643 0.253 1.345     218.815     250.000       6.594    0 
+    910000      182000.00      17.136     -62.718     -45.582   2.75 0.500 0.611 0.237 0.924     155.467     250.000       6.513    0 
+    920000      184000.00      21.696     -57.978     -36.282   2.92 0.357 0.667 0.273 0.820     196.839     250.000       6.798    0 
+    930000      186000.00      27.933     -50.211     -22.278   3.78 0.071 0.900 0.227 2.363     253.423     250.000       7.169    0 
+    940000      188000.00      23.113     -49.162     -26.049   3.11 0.286 0.692 0.262 1.282     209.695     250.000       6.895    0 
+    950000      190000.00      27.120     -66.226     -39.105   3.16 0.500 0.611 0.268 1.209     246.050     250.000       6.845    0 
+    960000      192000.00      22.279     -53.012     -30.734   3.08 0.286 0.692 0.297 1.321     202.122     250.000       7.007    0 
+    970000      194000.00      29.431     -58.516     -29.085   4.70 0.286 0.765 0.273 1.635     267.017     250.000       6.802    0 
+    980000      196000.00      23.465     -60.165     -36.700   4.69 0.357 0.643 0.224 0.789     212.891     250.000       6.787    0 
+    990000      198000.00      29.071     -56.115     -27.044   4.49 0.143 0.833 0.303 2.101     263.746     250.000       6.674    0 
+   1000000      200000.00      25.540     -52.160     -26.621   5.18 0.429 0.625 0.270 1.840     231.710     250.000       7.086    0 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB001.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB001.stat
index 2a2e3ad..8baf916 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB001.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB001.stat
@@ -1,101 +1,101 @@
          0           0.00      26.033     657.944     683.977   0.00 1.000 0.000 0.308 8.664     236.182     260.000       7.001    1 
-     10000        2000.00      23.426     -50.324     -26.898   2.78 0.429 0.667 0.313 1.149     212.534     260.000       6.793    1 
-     20000        4000.00      25.719     -38.755     -13.035   3.18 0.214 0.750 0.318 1.079     233.341     260.000       7.015    1 
-     30000        6000.00      25.222     -42.970     -17.748   2.29 0.286 0.714 0.312 1.384     228.831     260.000       6.502    1 
-     40000        8000.00      20.842     -34.071     -13.229   1.71 0.500 0.300 0.291 1.370     189.085     260.000       7.290    1 
-     50000       10000.00      26.855     -47.940     -21.085   6.60 0.214 0.700 0.186 1.143     243.642     260.000       7.661    1 
-     60000       12000.00      25.380     -55.923     -30.543   5.13 0.357 0.615 0.308 0.878     230.259     260.000       6.607    1 
-     70000       14000.00      26.090     -50.311     -24.221   4.13 0.214 0.750 0.364 1.985     236.698     260.000       6.847    1 
-     80000       16000.00      19.378     -40.375     -20.997   5.98 0.286 0.500 0.227 1.113     175.809     260.000       7.192    1 
-     90000       18000.00      22.583     -45.672     -23.089   5.41 0.286 0.733 0.288 0.811     204.880     260.000       7.109    1 
-    100000       20000.00      23.683     -42.952     -19.269   4.43 0.357 0.583 0.277 1.195     214.863     260.000       6.684    1 
-    110000       22000.00      28.173     -39.509     -11.337   4.85 0.286 0.714 0.458 1.541     255.596     270.000       6.696    1 
-    120000       24000.00      27.387     -41.330     -13.943   5.07 0.214 0.625 0.199 1.437     248.468     270.000       7.160    1 
-    130000       26000.00      22.826     -46.469     -23.643   3.08 0.357 0.643 0.312 0.992     207.088     270.000       6.640    1 
-    140000       28000.00      25.243     -33.942      -8.699   2.78 0.214 0.750 0.311 0.917     229.021     270.000       6.973    1 
-    150000       30000.00      28.981     -36.023      -7.042   2.72 0.429 0.571 0.269 1.727     262.931     270.000       6.769    1 
-    160000       32000.00      22.286     -45.132     -22.846   1.81 0.429 0.571 0.373 0.557     202.191     270.000       6.647    1 
-    170000       34000.00      29.304     -53.008     -23.704   2.84 0.357 0.583 0.292 0.659     265.865     270.000       6.527    1 
-    180000       36000.00      22.567     -51.465     -28.898   3.36 0.429 0.571 0.315 0.813     204.739     270.000       6.470    1 
-    190000       38000.00      35.217     -47.417     -12.200   2.43 0.357 0.583 0.299 1.887     319.509     270.000       6.360    1 
-    200000       40000.00      22.508     -38.078     -15.570   3.41 0.429 0.571 0.315 0.954     204.205     270.000       6.145    1 
-    210000       42000.00      31.714     -53.077     -21.363   1.98 0.500 0.500 0.192 1.368     287.722     260.000       6.546    1 
-    220000       44000.00      21.116     -52.653     -31.537   2.03 0.643 0.438 0.261 1.399     191.572     260.000       6.921    1 
-    230000       46000.00      30.156     -51.948     -21.791   3.54 0.429 0.500 0.189 2.010     273.594     260.000       7.183    1 
-    240000       48000.00      28.935     -43.583     -14.648   2.06 0.643 0.500 0.298 1.482     262.513     260.000       6.334    1 
-    250000       50000.00      25.855     -51.530     -25.676   2.59 0.571 0.273 0.248 1.489     234.568     260.000       6.704    1 
-    260000       52000.00      26.716     -60.321     -33.605   1.90 0.429 0.625 0.301 1.087     242.381     260.000       6.559    1 
-    270000       54000.00      25.190     -59.565     -34.375   2.73 0.429 0.600 0.303 1.202     228.536     260.000       6.960    1 
-    280000       56000.00      25.398     -59.816     -34.418   2.66 0.429 0.625 0.270 0.890     230.423     260.000       6.431    1 
-    290000       58000.00      29.615     -56.648     -27.032   2.46 0.357 0.643 0.253 1.506     268.686     260.000       6.806    1 
-    300000       60000.00      22.968     -61.280     -38.311   2.70 0.429 0.647 0.225 2.919     208.382     260.000       6.901    1 
-    310000       62000.00      26.469     -57.694     -31.225   3.07 0.357 0.750 0.300 1.229     240.139     260.000       6.737    1 
-    320000       64000.00      24.065     -46.786     -22.722   3.10 0.500 0.462 0.213 0.743     218.327     260.000       6.974    1 
-    330000       66000.00      24.705     -65.980     -41.275   2.68 0.357 0.667 0.339 0.999     224.134     260.000       6.603    1 
-    340000       68000.00      23.565     -58.109     -34.544   3.05 0.286 0.778 0.290 1.894     213.797     260.000       6.816    1 
-    350000       70000.00      29.444     -62.322     -32.878   2.79 0.286 0.750 0.304 1.233     267.134     260.000       6.600    1 
-    360000       72000.00      28.486     -53.014     -24.529   2.87 0.286 0.692 0.297 2.449     258.438     260.000       7.062    1 
-    370000       74000.00      30.824     -64.331     -33.507   2.93 0.214 0.769 0.301 0.917     279.649     260.000       6.661    1 
-    380000       76000.00      29.928     -62.993     -33.065   2.64 0.571 0.619 0.294 1.643     271.522     260.000       6.533    1 
-    390000       78000.00      27.093     -57.879     -30.786   2.47 0.214 0.824 0.326 1.306     245.801     260.000       6.547    1 
-    400000       80000.00      24.328     -55.288     -30.960   2.70 0.357 0.643 0.315 1.702     220.715     260.000       6.577    1 
-    410000       82000.00      21.095     -62.570     -41.475   2.47 0.500 0.667 0.297 1.531     191.385     260.000       6.492    1 
-    420000       84000.00      30.544     -56.717     -26.173   2.81 0.429 0.538 0.248 1.784     277.114     260.000       7.046    1 
-    430000       86000.00      31.703     -52.588     -20.885   2.67 0.286 0.636 0.256 2.036     287.624     260.000       6.797    1 
-    440000       88000.00      28.646     -53.415     -24.769   2.92 0.286 0.778 0.308 1.735     259.893     260.000       6.488    1 
-    450000       90000.00      18.591     -68.513     -49.922   2.44 0.357 0.706 0.337 1.541     168.667     260.000       6.505    1 
-    460000       92000.00      30.298     -59.792     -29.494   2.70 0.429 0.647 0.291 1.727     274.878     260.000       6.734    1 
-    470000       94000.00      24.443     -54.016     -29.573   2.40 0.571 0.600 0.302 1.016     221.762     260.000       6.707    1 
-    480000       96000.00      27.400     -54.672     -27.272   2.72 0.143 0.818 0.256 1.263     248.587     260.000       6.632    1 
-    490000       98000.00      26.101     -53.911     -27.810   3.07 0.429 0.667 0.293 1.387     236.802     260.000       6.964    1 
-    500000      100000.00      25.102     -57.201     -32.099   2.97 0.500 0.533 0.285 0.858     227.743     260.000       6.787    1 
-    510000      102000.00      31.272     -41.119      -9.847   4.15 0.214 0.667 0.237 3.468     283.718     260.000       7.589    1 
-    520000      104000.00      25.665     -49.129     -23.464   3.94 0.500 0.533 0.285 2.228     232.843     260.000       7.552    1 
-    530000      106000.00      28.214     -56.252     -28.039   3.50 0.214 0.700 0.218 1.546     255.969     260.000       7.090    1 
-    540000      108000.00      32.803     -53.231     -20.429   3.62 0.429 0.600 0.315 2.557     297.604     260.000       7.262    1 
-    550000      110000.00      31.796     -43.755     -11.959   3.33 0.286 0.500 0.267 0.905     288.467     260.000       7.642    1 
-    560000      112000.00      23.767     -51.808     -28.041   2.10 0.429 0.400 0.273 0.935     215.624     260.000       6.779    1 
-    570000      114000.00      30.975     -47.953     -16.979   2.88 0.357 0.643 0.312 1.475     281.018     260.000       6.408    1 
-    580000      116000.00      25.638     -58.612     -32.974   2.84 0.429 0.500 0.277 1.290     232.597     260.000       6.629    1 
-    590000      118000.00      26.306     -47.113     -20.807   2.21 0.571 0.429 0.253 1.745     238.664     260.000       6.860    1 
-    600000      120000.00      23.462     -47.162     -23.700   2.89 0.429 0.625 0.293 0.701     212.858     260.000       6.487    1 
-    610000      122000.00      21.783     -52.606     -30.823   3.41 0.286 0.692 0.353 1.410     197.623     260.000       6.494    1 
-    620000      124000.00      25.471     -48.609     -23.138   2.65 0.429 0.500 0.284 1.146     231.090     260.000       6.930    1 
-    630000      126000.00      19.403     -56.251     -36.848   3.24 0.500 0.650 0.355 0.942     176.037     260.000       6.298    1 
-    640000      128000.00      24.647     -48.556     -23.908   3.44 0.429 0.647 0.305 2.196     223.614     260.000       6.224    1 
-    650000      130000.00      29.522     -51.311     -21.789   2.27 0.357 0.643 0.237 1.232     267.835     260.000       6.592    1 
-    660000      132000.00      29.782     -53.000     -23.218   2.71 0.429 0.455 0.285 1.672     270.200     260.000       7.188    1 
-    670000      134000.00      26.457     -42.128     -15.671   2.66 0.286 0.636 0.277 1.299     240.027     260.000       7.175    1 
-    680000      136000.00      27.550     -47.121     -19.572   3.01 0.500 0.533 0.294 2.805     249.944     260.000       6.637    1 
-    690000      138000.00      21.250     -53.882     -32.632   2.77 0.429 0.647 0.267 1.173     192.788     260.000       6.892    1 
-    700000      140000.00      32.146     -57.506     -25.360   2.35 0.357 0.667 0.312 1.339     291.649     260.000       6.706    1 
-    710000      142000.00      19.406     -62.702     -43.295   2.85 0.500 0.562 0.310 1.121     176.065     250.000       7.008    1 
-    720000      144000.00      26.935     -66.447     -39.512   2.42 0.429 0.647 0.305 1.569     244.372     250.000       6.652    1 
-    730000      146000.00      26.166     -66.702     -40.536   2.71 0.429 0.667 0.298 0.914     237.388     250.000       6.556    1 
-    740000      148000.00      26.495     -53.049     -26.555   3.58 0.429 0.538 0.276 1.291     240.374     250.000       6.929    1 
-    750000      150000.00      24.334     -67.541     -43.207   2.90 0.357 0.722 0.328 1.157     220.767     250.000       6.571    1 
-    760000      152000.00      28.057     -64.423     -36.367   2.43 0.500 0.533 0.336 1.078     254.545     250.000       6.682    1 
-    770000      154000.00      24.910     -51.640     -26.730   3.41 0.143 0.875 0.298 1.885     225.996     250.000       6.811    1 
-    780000      156000.00      31.059     -50.710     -19.651   3.34 0.357 0.706 0.259 1.255     281.780     250.000       6.846    1 
-    790000      158000.00      16.772     -57.499     -40.728   3.29 0.286 0.778 0.288 1.264     152.160     250.000       6.591    1 
-    800000      160000.00      36.825     -55.821     -18.996   3.60 0.357 0.688 0.298 0.751     334.092     250.000       6.957    1 
-    810000      162000.00      24.599     -55.926     -31.327   2.96 0.357 0.722 0.295 1.259     223.173     260.000       6.806    1 
-    820000      164000.00      27.811     -60.709     -32.898   2.53 0.214 0.786 0.325 2.609     252.312     260.000       6.768    1 
-    830000      166000.00      26.248     -53.306     -27.058   2.80 0.429 0.600 0.303 1.078     238.139     260.000       6.596    1 
-    840000      168000.00      20.377     -44.204     -23.828   2.04 0.429 0.538 0.315 1.843     184.869     260.000       6.846    1 
-    850000      170000.00      28.664     -53.879     -25.214   3.33 0.500 0.708 0.345 0.888     260.056     260.000       6.169    1 
-    860000      172000.00      25.695     -55.848     -30.153   2.59 0.429 0.625 0.301 1.325     233.115     260.000       6.366    1 
-    870000      174000.00      21.336     -61.010     -39.674   2.80 0.500 0.462 0.280 0.885     193.570     260.000       6.432    1 
-    880000      176000.00      24.416     -42.644     -18.228   3.04 0.500 0.533 0.291 1.928     221.518     260.000       7.089    1 
-    890000      178000.00      24.249     -53.222     -28.973   3.02 0.500 0.611 0.333 1.289     219.998     260.000       6.236    1 
-    900000      180000.00      22.603     -47.182     -24.579   4.71 0.357 0.545 0.248 1.364     205.065     260.000       7.027    1 
-    910000      182000.00      30.070     -37.756      -7.686   4.67 0.071 0.857 0.292 1.453     272.807     270.000       7.217    1 
-    920000      184000.00      27.951     -38.539     -10.589   3.71 0.214 0.667 0.192 3.613     253.582     270.000       7.953    1 
-    930000      186000.00      23.701     -48.514     -24.812   2.09 0.643 0.357 0.286 2.122     215.031     270.000       6.675    1 
-    940000      188000.00      30.699     -49.862     -19.164   5.46 0.143 0.800 0.209 1.118     278.516     270.000       7.084    1 
-    950000      190000.00      22.486     -46.770     -24.284   3.97 0.286 0.636 0.207 1.386     204.006     270.000       6.945    1 
-    960000      192000.00      23.391     -37.307     -13.916   1.95 0.357 0.444 0.232 2.146     212.217     270.000       7.202    1 
-    970000      194000.00      20.426     -53.769     -33.343   3.17 0.429 0.600 0.309 1.566     185.317     270.000       6.940    1 
-    980000      196000.00      28.723     -49.841     -21.118   3.81 0.286 0.692 0.290 1.239     260.588     270.000       7.028    1 
-    990000      198000.00      29.513     -49.112     -19.599   3.81 0.286 0.750 0.330 1.981     267.759     270.000       7.011    1 
-   1000000      200000.00      28.280     -52.542     -24.262   3.75 0.357 0.706 0.289 1.805     256.566     270.000       7.021    1 
+     10000        2000.00      20.788     -58.826     -38.037   3.27 0.500 0.588 0.310 1.398     188.604     260.000       6.830    1 
+     20000        4000.00      23.991     -42.002     -18.012   3.63 0.143 0.833 0.333 1.555     217.654     260.000       7.168    1 
+     30000        6000.00      25.819     -52.609     -26.790   3.05 0.286 0.600 0.232 1.788     234.242     260.000       7.047    1 
+     40000        8000.00      21.860     -57.828     -35.968   2.75 0.357 0.667 0.273 1.429     198.325     260.000       6.769    1 
+     50000       10000.00      28.504     -53.084     -24.580   2.68 0.500 0.632 0.285 0.787     258.602     260.000       6.547    1 
+     60000       12000.00      22.780     -54.202     -31.423   2.53 0.571 0.529 0.345 1.562     206.669     260.000       6.798    1 
+     70000       14000.00      28.185     -54.412     -26.227   3.24 0.286 0.778 0.268 1.632     255.708     260.000       6.998    1 
+     80000       16000.00      21.196     -55.689     -34.493   2.82 0.429 0.667 0.351 2.027     192.297     260.000       6.656    1 
+     90000       18000.00      17.951     -54.018     -36.067   3.44 0.214 0.769 0.262 1.587     162.863     260.000       6.905    1 
+    100000       20000.00      24.043     -53.892     -29.848   2.85 0.286 0.733 0.279 1.727     218.134     260.000       7.066    1 
+    110000       22000.00      25.307     -56.373     -31.066   2.74 0.500 0.632 0.311 1.379     229.600     260.000       6.814    1 
+    120000       24000.00      29.981     -55.956     -25.975   2.48 0.286 0.636 0.302 0.872     272.005     260.000       6.739    1 
+    130000       26000.00      23.134     -52.521     -29.387   2.59 0.357 0.688 0.312 1.571     209.883     260.000       6.686    1 
+    140000       28000.00      24.316     -54.575     -30.259   2.60 0.429 0.625 0.230 1.120     220.607     260.000       6.893    1 
+    150000       30000.00      30.310     -56.768     -26.459   2.65 0.357 0.706 0.332 0.954     274.985     260.000       6.646    1 
+    160000       32000.00      19.614     -51.040     -31.426   3.02 0.357 0.615 0.206 1.261     177.949     260.000       6.860    1 
+    170000       34000.00      27.516     -50.674     -23.159   2.51 0.643 0.500 0.369 1.194     249.637     260.000       6.743    1 
+    180000       36000.00      23.737     -59.954     -36.217   3.13 0.429 0.571 0.299 0.871     215.354     260.000       6.918    1 
+    190000       38000.00      34.144     -60.452     -26.308   2.35 0.429 0.625 0.318 2.316     309.773     260.000       6.726    1 
+    200000       40000.00      21.528     -53.604     -32.076   2.80 0.357 0.643 0.263 1.383     195.316     260.000       6.844    1 
+    210000       42000.00      28.126     -59.383     -31.258   2.62 0.286 0.733 0.267 1.467     255.170     250.000       6.717    1 
+    220000       44000.00      21.244     -62.680     -41.436   2.93 0.286 0.692 0.280 1.144     192.737     250.000       6.873    1 
+    230000       46000.00      29.417     -60.379     -30.962   2.70 0.357 0.643 0.321 2.137     266.884     250.000       6.545    1 
+    240000       48000.00      26.387     -64.383     -37.996   2.74 0.500 0.632 0.321 1.413     239.399     250.000       6.384    1 
+    250000       50000.00      21.964     -62.924     -40.960   2.92 0.143 0.882 0.310 0.566     199.271     250.000       6.411    1 
+    260000       52000.00      28.353     -61.334     -32.981   2.28 0.429 0.600 0.233 1.764     257.232     250.000       6.821    1 
+    270000       54000.00      22.843     -66.335     -43.492   2.78 0.429 0.700 0.327 1.167     207.242     250.000       6.372    1 
+    280000       56000.00      24.767     -65.842     -41.075   2.75 0.429 0.600 0.312 1.088     224.701     250.000       6.719    1 
+    290000       58000.00      27.611     -58.869     -31.258   2.45 0.429 0.647 0.299 2.205     250.502     250.000       6.597    1 
+    300000       60000.00      22.172     -56.385     -34.213   2.50 0.643 0.500 0.263 1.636     201.157     250.000       6.880    1 
+    310000       62000.00      26.859     -49.732     -22.873   3.15 0.357 0.643 0.282 0.965     243.677     260.000       6.658    1 
+    320000       64000.00      21.659     -63.344     -41.684   2.60 0.357 0.706 0.270 2.358     196.505     260.000       6.658    1 
+    330000       66000.00      21.921     -53.450     -31.529   2.51 0.357 0.706 0.299 1.994     198.876     260.000       6.746    1 
+    340000       68000.00      23.701     -58.386     -34.686   2.82 0.429 0.600 0.361 1.301     215.024     260.000       6.640    1 
+    350000       70000.00      25.413     -59.150     -33.738   2.78 0.429 0.700 0.291 1.283     230.558     260.000       6.560    1 
+    360000       72000.00      26.523     -59.451     -32.928   2.80 0.286 0.667 0.314 2.288     240.629     260.000       6.955    1 
+    370000       74000.00      34.797     -62.526     -27.729   2.87 0.286 0.733 0.282 1.589     315.693     260.000       6.871    1 
+    380000       76000.00      32.027     -55.500     -23.473   2.60 0.214 0.786 0.237 1.095     290.562     260.000       6.701    1 
+    390000       78000.00      28.754     -62.820     -34.066   2.90 0.429 0.667 0.265 1.436     260.874     260.000       6.561    1 
+    400000       80000.00      26.101     -55.945     -29.843   3.06 0.214 0.800 0.255 1.897     236.805     260.000       6.784    1 
+    410000       82000.00      22.462     -59.048     -36.585   2.61 0.500 0.611 0.240 1.818     203.790     250.000       6.736    1 
+    420000       84000.00      22.099     -64.692     -42.593   2.72 0.357 0.737 0.282 1.555     200.494     250.000       6.688    1 
+    430000       86000.00      26.091     -56.551     -30.460   2.42 0.214 0.769 0.304 2.261     236.713     250.000       6.742    1 
+    440000       88000.00      27.727     -56.710     -28.983   2.71 0.357 0.667 0.306 1.221     251.556     250.000       6.766    1 
+    450000       90000.00      17.252     -64.246     -46.994   3.23 0.500 0.562 0.224 0.778     156.517     250.000       6.527    1 
+    460000       92000.00      26.649     -60.703     -34.054   2.87 0.429 0.667 0.283 1.842     241.775     250.000       6.453    1 
+    470000       94000.00      27.933     -62.200     -34.267   2.71 0.214 0.824 0.329 1.316     253.423     250.000       6.462    1 
+    480000       96000.00      24.598     -56.940     -32.342   3.25 0.214 0.700 0.200 1.454     223.164     250.000       7.367    1 
+    490000       98000.00      22.637     -52.755     -30.117   2.83 0.357 0.722 0.308 1.366     205.377     250.000       6.795    1 
+    500000      100000.00      21.947     -61.319     -39.372   2.79 0.500 0.632 0.304 0.679     199.113     250.000       6.612    1 
+    510000      102000.00      27.926     -58.429     -30.503   2.75 0.429 0.667 0.293 1.814     253.358     250.000       6.733    1 
+    520000      104000.00      23.614     -67.240     -43.627   2.69 0.429 0.700 0.359 1.261     214.238     250.000       6.385    1 
+    530000      106000.00      25.623     -67.731     -42.109   2.67 0.286 0.765 0.321 2.375     232.462     250.000       6.684    1 
+    540000      108000.00      30.994     -60.592     -29.598   2.60 0.286 0.750 0.224 2.121     281.192     250.000       6.742    1 
+    550000      110000.00      26.859     -57.960     -31.101   2.68 0.500 0.588 0.281 1.392     243.682     250.000       6.748    1 
+    560000      112000.00      25.128     -62.654     -37.527   3.07 0.571 0.333 0.212 2.912     227.970     250.000       7.040    1 
+    570000      114000.00      29.915     -60.760     -30.845   2.85 0.571 0.579 0.215 1.188     271.404     250.000       6.898    1 
+    580000      116000.00      23.767     -62.252     -38.485   2.99 0.214 0.769 0.262 1.535     215.622     250.000       6.498    1 
+    590000      118000.00      23.442     -61.219     -37.777   2.91 0.214 0.824 0.291 1.954     212.678     250.000       6.467    1 
+    600000      120000.00      25.089     -58.148     -33.059   2.87 0.357 0.722 0.318 0.634     227.621     250.000       6.729    1 
+    610000      122000.00      21.018     -60.494     -39.475   2.28 0.286 0.600 0.318 2.560     190.690     250.000       7.062    1 
+    620000      124000.00      21.523     -57.263     -35.740   2.92 0.357 0.688 0.321 1.162     195.266     250.000       6.627    1 
+    630000      126000.00      21.012     -69.312     -48.300   2.55 0.286 0.765 0.342 1.323     190.630     250.000       6.629    1 
+    640000      128000.00      21.962     -64.233     -42.270   2.73 0.429 0.667 0.283 2.033     199.254     250.000       6.648    1 
+    650000      130000.00      25.087     -58.519     -33.432   3.03 0.357 0.615 0.241 0.923     227.601     250.000       7.120    1 
+    660000      132000.00      31.064     -66.315     -35.251   3.01 0.429 0.684 0.301 1.367     281.824     250.000       6.727    1 
+    670000      134000.00      25.462     -60.280     -34.818   2.98 0.286 0.733 0.288 3.705     231.003     250.000       6.741    1 
+    680000      136000.00      24.659     -53.284     -28.625   2.69 0.357 0.722 0.293 2.179     223.717     250.000       6.647    1 
+    690000      138000.00      20.519     -61.942     -41.423   2.65 0.357 0.737 0.282 2.011     186.155     250.000       6.551    1 
+    700000      140000.00      30.614     -58.767     -28.152   2.89 0.357 0.688 0.273 1.014     277.747     250.000       6.652    1 
+    710000      142000.00      20.467     -66.377     -45.910   2.73 0.286 0.714 0.276 0.549     185.691     250.000       6.623    1 
+    720000      144000.00      27.107     -54.448     -27.341   3.22 0.286 0.733 0.206 1.448     245.930     250.000       6.772    1 
+    730000      146000.00      24.301     -57.996     -33.694   2.61 0.500 0.611 0.258 1.369     220.476     250.000       6.788    1 
+    740000      148000.00      25.535     -60.729     -35.194   2.70 0.286 0.692 0.318 1.757     231.663     250.000       6.588    1 
+    750000      150000.00      22.018     -60.165     -38.147   2.65 0.214 0.769 0.294 1.762     199.757     250.000       6.626    1 
+    760000      152000.00      27.993     -56.166     -28.174   3.27 0.500 0.562 0.276 0.873     253.963     250.000       7.322    1 
+    770000      154000.00      24.104     -49.925     -25.821   3.05 0.357 0.722 0.311 1.829     218.684     250.000       6.656    1 
+    780000      156000.00      31.654     -58.908     -27.254   2.82 0.357 0.615 0.273 1.859     287.179     250.000       6.682    1 
+    790000      158000.00      19.535     -67.884     -48.348   2.76 0.357 0.643 0.286 1.658     177.234     250.000       6.666    1 
+    800000      160000.00      33.450     -54.095     -20.645   2.57 0.429 0.625 0.349 1.485     303.477     250.000       6.921    1 
+    810000      162000.00      24.047     -53.101     -29.054   2.67 0.429 0.647 0.321 1.568     218.167     260.000       6.773    1 
+    820000      164000.00      26.146     -57.631     -31.486   2.60 0.357 0.615 0.231 2.196     237.208     260.000       6.946    1 
+    830000      166000.00      25.741     -47.985     -22.244   3.04 0.286 0.714 0.211 1.169     233.538     260.000       7.059    1 
+    840000      168000.00      24.798     -59.855     -35.058   2.66 0.357 0.688 0.318 2.272     224.976     260.000       6.767    1 
+    850000      170000.00      25.483     -59.723     -34.240   2.64 0.214 0.812 0.364 2.186     231.193     260.000       6.598    1 
+    860000      172000.00      25.066     -61.058     -35.992   2.79 0.357 0.722 0.328 1.792     227.412     260.000       6.692    1 
+    870000      174000.00      20.288     -59.233     -38.946   3.29 0.500 0.708 0.328 1.462     184.061     260.000       6.550    1 
+    880000      176000.00      28.941     -58.430     -29.489   3.58 0.429 0.684 0.287 1.805     262.567     260.000       6.546    1 
+    890000      178000.00      28.146     -58.990     -30.844   1.88 0.643 0.438 0.321 1.194     255.351     260.000       7.058    1 
+    900000      180000.00      25.027     -57.327     -32.300   2.82 0.429 0.625 0.267 1.069     227.056     260.000       6.733    1 
+    910000      182000.00      29.809     -53.483     -23.673   3.53 0.500 0.632 0.282 1.289     270.443     260.000       6.556    1 
+    920000      184000.00      31.066     -48.911     -17.844   3.20 0.357 0.667 0.267 2.317     281.850     260.000       6.623    1 
+    930000      186000.00      23.148     -57.851     -34.703   2.85 0.571 0.467 0.288 2.152     210.014     260.000       6.554    1 
+    940000      188000.00      33.731     -59.067     -25.336   2.72 0.429 0.571 0.286 0.678     306.029     260.000       6.728    1 
+    950000      190000.00      21.332     -57.422     -36.090   2.35 0.500 0.611 0.263 0.745     193.537     260.000       6.796    1 
+    960000      192000.00      22.121     -52.742     -30.621   3.16 0.357 0.667 0.355 1.482     200.691     260.000       6.587    1 
+    970000      194000.00      19.877     -55.679     -35.802   5.00 0.286 0.714 0.295 1.547     180.337     260.000       6.514    1 
+    980000      196000.00      24.761     -54.332     -29.571   3.61 0.429 0.600 0.276 2.099     224.645     260.000       6.978    1 
+    990000      198000.00      28.688     -41.272     -12.584   4.07 0.357 0.545 0.186 1.724     260.272     260.000       7.577    1 
+   1000000      200000.00      22.502     -49.697     -27.195   3.36 0.429 0.571 0.338 0.958     204.152     260.000       6.835    1 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB002.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB002.stat
index a6ad56f..0535650 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB002.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB002.stat
@@ -1,101 +1,101 @@
          0           0.00      30.073     659.103     689.176   0.00 1.000 0.000 0.308 8.663     272.840     270.000       7.001    2 
-     10000        2000.00      26.544     -50.945     -24.401   2.31 0.357 0.667 0.258 0.965     240.821     270.000       6.604    2 
-     20000        4000.00      31.878     -47.062     -15.184   2.76 0.429 0.600 0.294 1.886     289.211     270.000       6.248    2 
-     30000        6000.00      25.088     -48.705     -23.616   2.77 0.429 0.600 0.364 1.958     227.615     270.000       6.453    2 
-     40000        8000.00      22.884     -39.690     -16.805   2.22 0.357 0.545 0.277 1.703     207.618     270.000       7.008    2 
-     50000       10000.00      26.128     -41.864     -15.736   3.47 0.357 0.722 0.290 1.476     237.046     270.000       6.599    2 
-     60000       12000.00      26.706     -50.379     -23.673   3.05 0.429 0.667 0.316 2.275     242.289     270.000       6.561    2 
-     70000       14000.00      22.105     -55.460     -33.355   2.32 0.429 0.684 0.352 0.901     200.546     270.000       6.581    2 
-     80000       16000.00      29.540     -35.846      -6.306   3.56 0.429 0.538 0.259 1.458     268.004     270.000       6.659    2 
-     90000       18000.00      22.477     -50.101     -27.624   3.68 0.286 0.692 0.301 2.222     203.924     270.000       6.493    2 
-    100000       20000.00      24.129     -43.511     -19.382   2.36 0.286 0.667 0.193 1.828     218.907     270.000       7.115    2 
-    110000       22000.00      27.706     -52.443     -24.737   2.36 0.429 0.625 0.222 2.969     251.362     260.000       6.983    2 
-    120000       24000.00      31.681     -50.963     -19.282   3.37 0.643 0.500 0.258 0.806     287.425     260.000       6.774    2 
-    130000       26000.00      28.251     -49.671     -21.420   1.88 0.500 0.562 0.338 1.236     256.304     260.000       6.815    2 
-    140000       28000.00      24.388     -49.876     -25.487   2.75 0.429 0.684 0.261 1.665     221.265     260.000       6.583    2 
-    150000       30000.00      22.426     -50.084     -27.657   1.71 0.500 0.667 0.286 2.175     203.464     260.000       6.571    2 
-    160000       32000.00      25.051     -46.851     -21.800   4.03 0.357 0.706 0.219 0.988     227.275     260.000       6.788    2 
-    170000       34000.00      20.380     -57.558     -37.178   3.81 0.357 0.667 0.276 0.732     184.897     260.000       6.405    2 
-    180000       36000.00      23.447     -56.880     -33.434   3.08 0.500 0.611 0.283 1.625     212.721     260.000       6.462    2 
-    190000       38000.00      21.894     -58.579     -36.684   2.42 0.500 0.611 0.275 1.496     198.637     260.000       6.359    2 
-    200000       40000.00      28.991     -56.231     -27.240   2.79 0.429 0.700 0.286 1.720     263.018     260.000       6.741    2 
-    210000       42000.00      34.145     -42.163      -8.017   2.03 0.571 0.429 0.234 1.979     309.785     280.000       6.877    2 
-    220000       44000.00      31.202     -38.935      -7.733   4.71 0.286 0.556 0.182 4.828     283.084     280.000       7.285    2 
-    230000       46000.00      21.346     -40.210     -18.864   3.72 0.286 0.600 0.245 0.840     193.661     280.000       7.159    2 
-    240000       48000.00      27.985     -40.202     -12.218   4.10 0.214 0.786 0.341 1.681     253.891     280.000       7.388    2 
-    250000       50000.00      23.776     -37.136     -13.361   4.27 0.286 0.600 0.309 1.582     215.705     280.000       6.990    2 
-    260000       52000.00      27.087     -34.080      -6.992   4.57 0.286 0.667 0.265 2.169     245.751     280.000       7.394    2 
-    270000       54000.00      25.042     -32.683      -7.641   5.33 0.429 0.571 0.218 0.886     227.192     280.000       6.837    2 
-    280000       56000.00      23.369     -29.304      -5.935   4.39 0.143 0.714 0.266 2.674     212.017     280.000       7.451    2 
-    290000       58000.00      23.911     -37.126     -13.216   6.49 0.214 0.786 0.318 1.634     216.929     280.000       6.840    2 
-    300000       60000.00      22.854     -34.593     -11.738   5.75 0.286 0.500 0.193 1.185     207.347     280.000       8.355    2 
-    310000       62000.00      26.953     -36.151      -9.198   5.00 0.143 0.800 0.314 1.421     244.533     280.000       7.044    2 
-    320000       64000.00      27.893     -36.706      -8.813   4.74 0.286 0.636 0.198 1.453     253.063     280.000       8.062    2 
-    330000       66000.00      23.155     -42.005     -18.850   5.39 0.286 0.692 0.304 2.193     210.075     280.000       6.963    2 
-    340000       68000.00      27.586     -28.472      -0.886   8.86 0.071 0.750 0.170 2.480     250.276     280.000      10.433    2 
-    350000       70000.00      27.085     -40.433     -13.348   4.40 0.214 0.750 0.280 2.202     245.726     280.000       6.838    2 
-    360000       72000.00      27.128     -40.477     -13.349   4.93 0.286 0.500 0.233 1.619     246.118     280.000       7.327    2 
-    370000       74000.00      31.700     -42.516     -10.816   6.25 0.143 0.846 0.259 1.751     287.599     280.000       7.085    2 
-    380000       76000.00      28.909     -34.807      -5.898   5.29 0.143 0.800 0.359 1.453     262.276     280.000       6.836    2 
-    390000       78000.00      30.618     -45.532     -14.914   5.87 0.286 0.765 0.278 0.956     277.778     280.000       6.773    2 
-    400000       80000.00      30.083     -43.534     -13.451   4.72 0.214 0.750 0.326 0.813     272.929     280.000       6.713    2 
-    410000       82000.00      32.987     -40.292      -7.305   4.41 0.214 0.625 0.261 0.950     299.275     280.000       7.530    2 
-    420000       84000.00      31.548     -33.324      -1.776   6.29 0.286 0.429 0.169 1.739     286.219     280.000      10.230    2 
-    430000       86000.00      26.669     -31.774      -5.105   5.02 0.214 0.769 0.325 1.676     241.954     280.000       6.779    2 
-    440000       88000.00      26.236     -40.088     -13.853   5.19 0.357 0.667 0.309 2.058     238.025     280.000       7.150    2 
-    450000       90000.00      34.478     -34.377       0.101   7.49 0.286 0.556 0.202 2.176     312.801     280.000      10.252    2 
-    460000       92000.00      32.977     -26.422       6.555   4.94 0.357 0.444 0.172 1.378     299.183     280.000       8.021    2 
-    470000       94000.00      32.631     -42.642     -10.011   4.46 0.429 0.538 0.245 1.991     296.047     280.000       7.387    2 
-    480000       96000.00      23.492     -37.569     -14.076   2.61 0.286 0.600 0.255 1.649     213.136     280.000       7.137    2 
-    490000       98000.00      25.728     -44.524     -18.797   2.69 0.429 0.600 0.342 2.928     233.414     280.000       6.660    2 
-    500000      100000.00      35.636     -46.354     -10.718   2.55 0.571 0.467 0.252 1.271     323.311     280.000       6.873    2 
-    510000      102000.00      30.803     -43.630     -12.827   2.24 0.286 0.692 0.304 1.010     279.463     280.000       6.566    2 
-    520000      104000.00      30.404     -49.831     -19.428   3.18 0.429 0.647 0.337 1.712     275.837     280.000       6.460    2 
-    530000      106000.00      29.374     -38.207      -8.834   3.35 0.286 0.692 0.304 1.945     266.493     280.000       6.770    2 
-    540000      108000.00      24.592     -43.780     -19.187   3.97 0.286 0.636 0.281 2.680     223.113     280.000       6.728    2 
-    550000      110000.00      26.594     -40.831     -14.236   6.95 0.214 0.700 0.241 3.448     241.278     280.000       7.634    2 
-    560000      112000.00      26.035     -36.052     -10.018   6.86 0.286 0.636 0.211 1.102     236.199     280.000       6.898    2 
-    570000      114000.00      25.781     -50.618     -24.837   3.35 0.429 0.600 0.236 1.519     233.898     280.000       6.706    2 
-    580000      116000.00      28.928     -37.031      -8.102   2.06 0.214 0.667 0.197 1.274     262.453     280.000       7.506    2 
-    590000      118000.00      31.021     -38.385      -7.365   4.08 0.143 0.857 0.321 1.619     281.435     280.000       6.534    2 
-    600000      120000.00      30.827     -29.362       1.465   7.02 0.071 0.800 0.191 1.157     279.675     280.000       8.307    2 
-    610000      122000.00      23.869     -44.246     -20.377   2.17 0.571 0.529 0.334 1.944     216.550     290.000       6.734    2 
-    620000      124000.00      18.283     -27.987      -9.704   4.38 0.214 0.727 0.190 1.740     165.876     290.000       7.512    2 
-    630000      126000.00      24.313     -30.964      -6.651   4.33 0.286 0.600 0.268 2.037     220.577     290.000       7.070    2 
-    640000      128000.00      27.930     -28.699      -0.769   4.56 0.286 0.714 0.325 1.828     253.399     290.000       6.838    2 
-    650000      130000.00      28.767     -35.537      -6.770   4.98 0.214 0.667 0.278 1.279     260.988     290.000       7.460    2 
-    660000      132000.00      29.380     -35.094      -5.714   5.03 0.286 0.556 0.242 1.810     266.550     290.000       7.184    2 
-    670000      134000.00      28.591     -29.246      -0.654   6.68 0.143 0.818 0.293 2.922     259.394     290.000       7.380    2 
-    680000      136000.00      27.100     -24.409       2.691   5.71 0.214 0.786 0.263 1.392     245.865     290.000       7.092    2 
-    690000      138000.00      26.743     -31.429      -4.686   4.01 0.286 0.636 0.281 1.370     242.624     290.000       7.084    2 
-    700000      140000.00      32.254     -32.530      -0.276   6.23 0.214 0.625 0.182 2.848     292.627     290.000       8.573    2 
-    710000      142000.00      29.634     -30.269      -0.636   7.15 0.214 0.667 0.253 1.181     268.852     300.000       7.004    2 
-    720000      144000.00      23.658     -37.705     -14.047   3.60 0.214 0.700 0.273 2.170     214.634     300.000       7.198    2 
-    730000      146000.00      32.395     -18.000      14.395   3.51 0.214 0.400 0.200 0.750     293.902     300.000       8.016    2 
-    740000      148000.00      26.283     -18.527       7.756   4.61 0.357 0.444 0.212 2.308     238.457     300.000       7.808    2 
-    750000      150000.00      28.370     -32.251      -3.881   4.58 0.286 0.692 0.189 0.981     257.388     300.000       7.226    2 
-    760000      152000.00      27.134     -37.412     -10.277   4.96 0.357 0.545 0.273 1.386     246.175     300.000       7.712    2 
-    770000      154000.00      24.107     -34.483     -10.376   4.52 0.286 0.714 0.234 0.436     218.713     300.000       6.678    2 
-    780000      156000.00      30.908     -33.907      -2.999   4.43 0.143 0.818 0.264 1.925     280.410     300.000       6.904    2 
-    790000      158000.00      30.614     -32.524      -1.910   6.30 0.214 0.769 0.315 1.661     277.743     300.000       6.830    2 
-    800000      160000.00      29.682     -29.746      -0.064   5.25 0.214 0.571 0.325 1.028     269.290     300.000       7.045    2 
-    810000      162000.00      30.293     -22.946       7.346   7.26 0.214 0.400 0.155 1.926     274.832     310.000      10.959    2 
-    820000      164000.00      28.977     -20.931       8.046   4.37 0.286 0.600 0.350 2.260     262.893     310.000       6.811    2 
-    830000      166000.00      26.108     -22.202       3.906   5.22 0.286 0.636 0.430 2.615     236.865     310.000       6.622    2 
-    840000      168000.00      32.767     -16.614      16.153   3.76 0.214 0.667 0.354 0.962     297.277     310.000       6.753    2 
-    850000      170000.00      31.389     -32.317      -0.928   2.83 0.286 0.500 0.278 2.474     284.774     310.000       6.604    2 
-    860000      172000.00      28.858     -24.841       4.016   4.16 0.214 0.750 0.273 1.913     261.811     310.000       7.280    2 
-    870000      174000.00      25.731     -18.487       7.244   5.82 0.143 0.667 0.182 2.710     233.445     310.000      10.100    2 
-    880000      176000.00      25.171     -24.398       0.773   5.99 0.214 0.571 0.201 1.342     228.363     310.000       8.149    2 
-    890000      178000.00      24.262     -15.897       8.366   6.73 0.214 0.625 0.358 1.815     220.121     310.000       7.141    2 
-    900000      180000.00      32.653     -29.544       3.110   4.55 0.357 0.545 0.343 1.605     296.248     310.000       7.358    2 
-    910000      182000.00      34.994     -23.685      11.309   5.05 0.143 0.778 0.273 2.073     317.482     300.000       6.826    2 
-    920000      184000.00      25.326     -26.573      -1.247   3.12 0.143 0.833 0.345 1.836     229.773     300.000       6.832    2 
-    930000      186000.00      27.341     -22.428       4.913   3.18 0.286 0.556 0.354 1.345     248.054     300.000       7.520    2 
-    940000      188000.00      34.910     -16.960      17.949   3.55 0.143 0.714 0.331 1.653     316.720     300.000       7.204    2 
-    950000      190000.00      27.385     -29.228      -1.843   5.24 0.143 0.833 0.447 1.572     248.453     300.000       7.301    2 
-    960000      192000.00      26.469     -20.766       5.702   4.56 0.143 0.667 0.500 1.971     240.138     300.000       7.342    2 
-    970000      194000.00      26.634     -39.060     -12.426   4.87 0.071 0.923 0.311 2.036     241.636     300.000       7.951    2 
-    980000      196000.00      36.857     -26.673      10.183   5.54 0.143 0.714 0.227 2.282     334.382     300.000       7.783    2 
-    990000      198000.00      31.324     -35.507      -4.182   4.28 0.286 0.667 0.246 2.398     284.190     300.000       7.221    2 
-   1000000      200000.00      30.982     -31.076      -0.094   4.12 0.071 0.875 0.375 1.407     281.084     300.000       8.024    2 
+     10000        2000.00      24.527     -39.603     -15.076   2.63 0.429 0.455 0.310 1.152     222.518     270.000       6.800    2 
+     20000        4000.00      25.616     -34.594      -8.978   2.23 0.500 0.533 0.206 1.846     232.402     270.000       7.125    2 
+     30000        6000.00      28.832     -40.057     -11.225   3.02 0.286 0.636 0.252 0.996     261.579     270.000       6.920    2 
+     40000        8000.00      24.415     -41.073     -16.658   3.73 0.214 0.750 0.212 1.048     221.507     270.000       6.992    2 
+     50000       10000.00      28.275     -24.212       4.063   4.00 0.286 0.733 0.285 2.341     256.526     270.000       6.921    2 
+     60000       12000.00      27.928     -40.553     -12.624   5.02 0.143 0.818 0.326 1.045     253.381     270.000       6.931    2 
+     70000       14000.00      18.657     -48.178     -29.521   5.92 0.071 0.909 0.285 0.929     169.265     270.000       6.734    2 
+     80000       16000.00      27.477     -34.289      -6.812   4.73 0.286 0.500 0.250 1.748     249.285     270.000       7.254    2 
+     90000       18000.00      24.412     -46.852     -22.439   5.79 0.500 0.500 0.234 1.057     221.483     270.000       6.563    2 
+    100000       20000.00      22.698     -32.819     -10.121   5.23 0.286 0.556 0.384 1.425     205.924     270.000       7.075    2 
+    110000       22000.00      32.219     -32.008       0.211   4.79 0.071 0.900 0.295 1.285     292.308     290.000       6.960    2 
+    120000       24000.00      31.035     -31.988      -0.952   4.51 0.214 0.700 0.291 1.714     281.569     290.000       6.733    2 
+    130000       26000.00      32.737     -32.257       0.480   4.61 0.357 0.615 0.308 2.459     297.008     290.000       7.000    2 
+    140000       28000.00      34.356     -16.471      17.885   4.48 0.071 0.667 0.182 1.510     311.696     290.000       8.007    2 
+    150000       30000.00      26.745     -35.441      -8.696   5.41 0.286 0.556 0.242 1.741     242.648     290.000       7.093    2 
+    160000       32000.00      32.534     -40.283      -7.749   2.44 0.214 0.667 0.242 1.484     295.163     290.000       7.362    2 
+    170000       34000.00      24.511     -29.839      -5.328   2.64 0.143 0.750 0.244 1.858     222.376     290.000       7.386    2 
+    180000       36000.00      24.646     -31.611      -6.965   3.11 0.286 0.733 0.388 1.567     223.606     290.000       6.567    2 
+    190000       38000.00      25.736     -44.162     -18.426   3.42 0.214 0.571 0.227 0.967     233.490     290.000       7.504    2 
+    200000       40000.00      26.367     -25.339       1.028   4.20 0.143 0.600 0.200 1.582     239.214     290.000       7.479    2 
+    210000       42000.00      39.290     -12.169      27.121   6.62 0.143 0.750 0.261 1.726     356.461     310.000       7.551    2 
+    220000       44000.00      36.110     -34.934       1.177   4.51 0.357 0.643 0.302 1.301     327.609     310.000       7.428    2 
+    230000       46000.00      26.340     -22.847       3.493   4.92 0.214 0.500 0.379 1.914     238.972     310.000       7.576    2 
+    240000       48000.00      26.382     -21.669       4.713   6.00 0.071 0.909 0.347 1.200     239.352     310.000       6.720    2 
+    250000       50000.00      25.919     -29.186      -3.267   6.24 0.143 0.778 0.237 1.129     235.147     310.000       7.684    2 
+    260000       52000.00      28.739      -7.477      21.261   4.38 0.071 0.750 0.295 2.105     260.732     310.000       8.661    2 
+    270000       54000.00      31.270     -23.594       7.676   6.26 0.143 0.600 0.218 1.599     283.700     310.000       9.485    2 
+    280000       56000.00      28.805     -15.755      13.050   6.48 0.071 0.833 0.341 1.492     261.336     310.000       8.536    2 
+    290000       58000.00      29.892     -22.086       7.806   5.15 0.214 0.625 0.250 2.280     271.196     310.000       7.626    2 
+    300000       60000.00      24.171     -29.991      -5.821   6.18 0.357 0.375 0.159 1.596     219.288     310.000       8.406    2 
+    310000       62000.00      28.060     -23.230       4.830   4.93 0.143 0.667 0.220 1.381     254.579     300.000       7.934    2 
+    320000       64000.00      30.049     -22.532       7.517   4.73 0.143 0.833 0.242 3.425     272.617     300.000       7.570    2 
+    330000       66000.00      23.996     -22.617       1.379   5.64 0.214 0.700 0.273 2.389     217.701     300.000       9.179    2 
+    340000       68000.00      31.684     -33.476      -1.792   3.14 0.143 0.750 0.176 2.453     287.454     300.000       7.351    2 
+    350000       70000.00      32.413     -31.438       0.974   4.70 0.143 0.818 0.339 0.992     294.064     300.000       7.698    2 
+    360000       72000.00      31.720     -33.807      -2.087   3.20 0.214 0.571 0.279 1.776     287.780     300.000       7.342    2 
+    370000       74000.00      34.042     -35.907      -1.865   4.03 0.286 0.714 0.341 3.095     308.847     300.000       6.542    2 
+    380000       76000.00      30.419     -31.067      -0.648   4.47 0.143 0.800 0.373 1.120     275.980     300.000       6.677    2 
+    390000       78000.00      38.548     -32.644       5.904   4.87 0.286 0.429 0.195 1.495     349.728     300.000       7.811    2 
+    400000       80000.00      33.174     -19.810      13.364   4.78 0.286 0.556 0.273 2.348     300.968     300.000       7.283    2 
+    410000       82000.00      34.641     -24.180      10.461   6.76 0.143 0.714 0.201 2.493     314.285     310.000       7.640    2 
+    420000       84000.00      36.016     -23.523      12.493   3.85 0.143 0.500 0.182 1.205     326.758     310.000       8.536    2 
+    430000       86000.00      32.779     -22.643      10.136   6.70 0.143 0.818 0.194 1.526     297.391     310.000       9.460    2 
+    440000       88000.00      28.223     -30.466      -2.243   4.17 0.357 0.615 0.280 1.711     256.054     310.000       7.459    2 
+    450000       90000.00      37.012     -17.898      19.114   5.09 0.143 0.778 0.313 4.268     335.793     310.000       7.845    2 
+    460000       92000.00      33.516     -19.926      13.590   5.07 0.143 0.667 0.174 2.929     304.074     310.000       8.199    2 
+    470000       94000.00      33.375     -25.738       7.637   4.61 0.214 0.250 0.148 1.375     302.795     310.000       7.831    2 
+    480000       96000.00      24.802      -9.963      14.838   6.18 0.071 0.875 0.375 1.464     225.016     310.000       7.915    2 
+    490000       98000.00      32.782      -1.146      31.636   7.82 0.071 0.800 0.200 1.936     297.419     310.000      10.159    2 
+    500000      100000.00      32.517     -17.949      14.568   3.50 0.214 0.500 0.242 1.491     295.011     310.000       7.230    2 
+    510000      102000.00      32.205     -20.569      11.636   4.17 0.071 0.833 0.280 1.958     292.177     330.000       7.679    2 
+    520000      104000.00      30.994     -21.669       9.325   8.06 0.143 0.600 0.182 1.335     281.194     330.000       9.748    2 
+    530000      106000.00      36.695     -16.570      20.125   4.51 0.143 0.600 0.327 1.183     332.920     330.000       8.086    2 
+    540000      108000.00      32.259     -22.403       9.856   5.03 0.357 0.643 0.393 1.897     292.666     330.000       6.981    2 
+    550000      110000.00      32.926       7.033      39.959   8.30 0.071 0.750 0.170 1.715     298.725     330.000      10.503    2 
+    560000      112000.00      30.204     -15.622      14.582   7.10 0.071 0.667 0.167 2.151     274.028     330.000       8.931    2 
+    570000      114000.00      31.192     -14.066      17.126   9.67 0.214 0.500 0.144 2.469     282.990     330.000      12.617    2 
+    580000      116000.00      32.583     -19.410      13.173   5.69 0.214 0.727 0.331 2.115     295.609     330.000       8.973    2 
+    590000      118000.00      40.861     -24.003      16.858   4.65 0.143 0.714 0.513 1.734     370.713     330.000       7.617    2 
+    600000      120000.00      39.261     -25.503      13.757   5.82 0.214 0.667 0.318 0.761     356.192     330.000       7.030    2 
+    610000      122000.00      23.344     -31.426      -8.082   5.25 0.214 0.769 0.273 2.143     211.788     320.000       6.874    2 
+    620000      124000.00      25.632     -18.012       7.620   5.89 0.071 0.800 0.291 1.718     232.546     320.000       7.928    2 
+    630000      126000.00      34.002     -30.172       3.830   6.27 0.143 0.800 0.323 1.449     308.480     320.000       6.905    2 
+    640000      128000.00      33.042     -12.616      20.426   8.32 0.286 0.000 0.148 2.422     299.775     320.000      12.072    2 
+    650000      130000.00      23.453     -10.483      12.971   4.41 0.143 0.600 0.336 2.570     212.781     320.000       8.782    2 
+    660000      132000.00      32.785     -17.029      15.756   4.10 0.214 0.571 0.162 2.475     297.442     320.000       8.271    2 
+    670000      134000.00      32.263     -27.926       4.337   3.98 0.286 0.556 0.222 1.805     292.704     320.000       7.706    2 
+    680000      136000.00      35.017     -27.934       7.083   4.57 0.214 0.700 0.345 1.318     317.689     320.000       7.305    2 
+    690000      138000.00      28.992     -21.855       7.137   3.77 0.071 0.800 0.291 1.442     263.032     320.000       7.701    2 
+    700000      140000.00      31.605      -8.148      23.457   7.47 0.000 1.000 0.197 2.284     286.737     320.000      10.749    2 
+    710000      142000.00      33.199     -33.201      -0.003   4.33 0.214 0.700 0.345 2.477     301.195     310.000       7.229    2 
+    720000      144000.00      25.118     -31.844      -6.725   4.64 0.143 0.778 0.283 2.256     227.888     310.000       7.398    2 
+    730000      146000.00      26.231     -26.816      -0.586   5.92 0.071 0.667 0.182 1.765     237.978     310.000       9.952    2 
+    740000      148000.00      27.140     -24.012       3.128   5.18 0.214 0.700 0.373 3.644     246.228     310.000       7.833    2 
+    750000      150000.00      30.866     -29.280       1.586   3.96 0.071 0.857 0.221 0.934     280.036     310.000       7.229    2 
+    760000      152000.00      25.090     -25.606      -0.516   3.18 0.071 0.857 0.377 1.898     227.628     310.000       7.098    2 
+    770000      154000.00      19.976      -7.750      12.226   7.60 0.071 0.500 0.159 1.257     181.235     310.000      11.444    2 
+    780000      156000.00      30.343     -23.881       6.463   9.68 0.214 0.667 0.187 1.425     275.290     310.000      12.639    2 
+    790000      158000.00      33.345      -9.519      23.826   4.21 0.143 0.667 0.424 1.104     302.524     310.000       8.685    2 
+    800000      160000.00      28.186     -34.473      -6.287   5.04 0.286 0.667 0.314 1.194     255.720     310.000       7.217    2 
+    810000      162000.00      29.011     -39.651     -10.640   5.64 0.357 0.500 0.227 2.017     263.201     300.000       7.083    2 
+    820000      164000.00      27.680     -23.325       4.355   4.92 0.214 0.667 0.364 2.670     251.130     300.000       7.902    2 
+    830000      166000.00      29.026     -18.076      10.950   5.45 0.143 0.833 0.432 2.210     263.342     300.000       6.935    2 
+    840000      168000.00      33.108     -22.732      10.377   6.55 0.143 0.778 0.409 2.446     300.376     300.000       6.771    2 
+    850000      170000.00      33.746     -27.914       5.832   5.36 0.286 0.333 0.174 1.330     306.160     300.000       7.670    2 
+    860000      172000.00      31.007     -27.945       3.061   6.60 0.143 0.818 0.269 1.714     281.307     300.000       6.940    2 
+    870000      174000.00      24.816     -36.071     -11.256   5.47 0.143 0.667 0.235 1.788     225.140     300.000       7.168    2 
+    880000      176000.00      29.394     -33.034      -3.640   3.66 0.286 0.636 0.298 2.314     266.675     300.000       7.065    2 
+    890000      178000.00      25.949     -30.317      -4.368   4.65 0.429 0.571 0.338 1.710     235.421     300.000       7.025    2 
+    900000      180000.00      25.050     -37.715     -12.665   5.45 0.357 0.706 0.283 1.974     227.263     300.000       6.587    2 
+    910000      182000.00      31.266     -34.806      -3.540   4.74 0.214 0.700 0.305 1.569     283.660     290.000       7.040    2 
+    920000      184000.00      26.366     -32.733      -6.367   4.10 0.500 0.611 0.306 1.864     239.205     290.000       7.009    2 
+    930000      186000.00      23.703     -38.644     -14.940   4.55 0.214 0.769 0.290 1.832     215.048     290.000       7.003    2 
+    940000      188000.00      33.427     -30.694       2.733   5.53 0.214 0.786 0.305 2.903     303.268     290.000       6.652    2 
+    950000      190000.00      25.693     -40.654     -14.960   2.48 0.429 0.571 0.364 1.856     233.102     290.000       6.564    2 
+    960000      192000.00      27.548     -35.020      -7.471   2.83 0.357 0.375 0.244 1.838     249.931     290.000       7.774    2 
+    970000      194000.00      25.890     -46.931     -21.041   1.71 0.429 0.500 0.367 1.040     234.889     290.000       6.548    2 
+    980000      196000.00      33.004     -41.464      -8.460   3.86 0.357 0.500 0.332 1.840     299.432     290.000       6.781    2 
+    990000      198000.00      30.262     -44.145     -13.884   3.53 0.286 0.692 0.315 2.368     274.549     290.000       6.600    2 
+   1000000      200000.00      35.522     -39.781      -4.259   3.82 0.286 0.733 0.355 1.116     322.275     290.000       6.461    2 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB003.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB003.stat
index a9b5d10..0a9ba67 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB003.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB003.stat
@@ -1,101 +1,101 @@
          0           0.00      28.189     660.316     688.505   0.00 1.000 0.000 0.308 8.662     255.747     280.000       7.001    3 
-     10000        2000.00      30.691     -32.186      -1.495   3.74 0.214 0.625 0.256 0.915     278.442     280.000       7.396    3 
-     20000        4000.00      28.948     -35.792      -6.845   4.19 0.286 0.636 0.264 1.599     262.630     280.000       7.199    3 
-     30000        6000.00      21.700     -41.260     -19.560   4.51 0.143 0.818 0.339 1.187     196.875     280.000       7.115    3 
-     40000        8000.00      27.034     -26.083       0.951   4.35 0.286 0.500 0.193 1.001     245.265     280.000       8.581    3 
-     50000       10000.00      28.775     -38.218      -9.444   4.32 0.143 0.800 0.273 1.289     261.058     280.000       7.549    3 
-     60000       12000.00      31.455     -31.356       0.098   4.18 0.071 0.833 0.311 2.518     285.372     280.000       7.121    3 
-     70000       14000.00      31.771     -41.686      -9.914   4.49 0.286 0.714 0.393 2.539     288.245     280.000       6.654    3 
-     80000       16000.00      28.941     -40.478     -11.537   3.52 0.357 0.643 0.231 1.427     262.569     280.000       6.872    3 
-     90000       18000.00      20.095     -43.820     -23.725   3.26 0.214 0.700 0.295 0.950     182.316     280.000       7.179    3 
-    100000       20000.00      24.784     -41.163     -16.378   4.69 0.286 0.667 0.269 1.277     224.857     280.000       7.597    3 
-    110000       22000.00      24.668     -34.810     -10.142   3.87 0.286 0.556 0.242 1.405     223.802     290.000       7.375    3 
-    120000       24000.00      28.180     -41.104     -12.924   6.65 0.214 0.625 0.239 1.611     255.666     290.000      10.044    3 
-    130000       26000.00      27.371     -43.879     -16.508   4.30 0.357 0.615 0.234 1.666     248.326     290.000       7.445    3 
-    140000       28000.00      24.283     -31.713      -7.430   5.17 0.071 0.750 0.193 1.180     220.309     290.000       7.831    3 
-    150000       30000.00      26.103     -34.700      -8.597   4.74 0.071 0.875 0.318 1.962     236.816     290.000       6.988    3 
-    160000       32000.00      23.299     -28.356      -5.057   4.82 0.143 0.800 0.291 0.962     211.384     290.000       6.659    3 
-    170000       34000.00      26.604     -37.658     -11.054   5.34 0.214 0.769 0.287 0.845     241.369     290.000       6.957    3 
-    180000       36000.00      32.993     -32.886       0.108   4.93 0.286 0.692 0.315 1.730     299.332     290.000       6.925    3 
-    190000       38000.00      24.705     -30.971      -6.266   4.68 0.143 0.833 0.345 1.302     224.135     290.000       6.581    3 
-    200000       40000.00      28.837     -39.355     -10.518   5.44 0.214 0.750 0.246 1.429     261.625     290.000       6.766    3 
-    210000       42000.00      34.822     -16.165      18.657   5.49 0.071 0.857 0.305 3.851     315.926     320.000       7.603    3 
-    220000       44000.00      29.834     -21.904       7.930   4.99 0.357 0.444 0.323 1.852     270.673     320.000       7.015    3 
-    230000       46000.00      32.390     -20.518      11.872   6.45 0.071 0.500 0.136 1.751     293.861     320.000      10.007    3 
-    240000       48000.00      34.715     -24.715      10.000   6.89 0.143 0.500 0.159 1.134     314.955     320.000       8.628    3 
-    250000       50000.00      31.242     -21.977       9.265   5.61 0.071 0.909 0.289 1.228     283.441     320.000       7.321    3 
-    260000       52000.00      34.723     -18.494      16.229   5.34 0.143 0.667 0.303 2.720     315.022     320.000       7.832    3 
-    270000       54000.00      32.811     -23.255       9.556   5.97 0.143 0.714 0.247 1.893     297.674     320.000       7.578    3 
-    280000       56000.00      31.478     -16.950      14.529   6.44 0.071 0.889 0.444 3.181     285.586     320.000       7.195    3 
-    290000       58000.00      29.051     -15.614      13.437   5.17 0.429 0.455 0.182 1.764     263.564     320.000       7.874    3 
-    300000       60000.00      40.901     -22.491      18.410   7.64 0.143 0.833 0.250 1.533     371.071     320.000       7.855    3 
-    310000       62000.00      25.778     -31.889      -6.111   2.43 0.429 0.667 0.341 1.286     233.871     310.000       6.825    3 
-    320000       64000.00      29.958     -25.323       4.635   4.30 0.286 0.500 0.369 1.638     271.797     310.000       7.234    3 
-    330000       66000.00      34.555     -30.417       4.138   4.94 0.286 0.556 0.318 1.286     313.496     310.000       7.178    3 
-    340000       68000.00      32.929     -31.524       1.404   4.54 0.357 0.500 0.259 2.566     298.747     310.000       7.277    3 
-    350000       70000.00      39.011     -22.743      16.268   4.80 0.429 0.250 0.358 4.900     353.926     310.000       8.758    3 
-    360000       72000.00      35.517     -28.490       7.027   5.42 0.000 1.000 0.291 1.397     322.232     310.000       6.891    3 
-    370000       74000.00      28.474     -13.646      14.828   7.45 0.143 0.500 0.182 1.629     258.333     310.000      10.880    3 
-    380000       76000.00      32.573     -31.835       0.738   4.65 0.071 0.900 0.291 1.085     295.520     310.000       7.597    3 
-    390000       78000.00      33.950     -23.343      10.608   6.40 0.143 0.500 0.182 1.504     308.015     310.000       9.466    3 
-    400000       80000.00      30.359     -19.271      11.089   6.31 0.071 0.800 0.173 1.769     275.437     310.000       8.921    3 
-    410000       82000.00      32.357     -14.049      18.308   5.13 0.214 0.400 0.227 2.890     293.561     320.000       7.627    3 
-    420000       84000.00      25.794      -4.233      21.561   5.80 0.143 0.600 0.200 1.433     234.018     320.000       8.281    3 
-    430000       86000.00      32.955     -18.251      14.704   5.14 0.071 0.750 0.170 1.398     298.981     320.000       8.928    3 
-    440000       88000.00      33.319     -15.557      17.762   6.78 0.071 0.667 0.152 2.195     302.290     320.000      10.106    3 
-    450000       90000.00      32.681     -24.574       8.107   6.31 0.214 0.571 0.156 2.477     296.502     320.000      10.484    3 
-    460000       92000.00      21.792     -13.758       8.034   4.65 0.286 0.692 0.224 1.815     197.709     320.000       7.637    3 
-    470000       94000.00      35.172     -12.756      22.416   3.10 0.286 0.667 0.364 1.905     319.102     320.000       6.691    3 
-    480000       96000.00      29.828     -13.713      16.115   7.25 0.071 0.500 0.136 0.824     270.615     320.000      10.848    3 
-    490000       98000.00      38.367      -7.403      30.964   7.53 0.143 0.333 0.167 1.537     348.084     320.000      11.090    3 
-    500000      100000.00      29.881     -21.931       7.950   5.86 0.214 0.000 0.152 1.222     271.098     320.000      10.497    3 
-    510000      102000.00      32.354     -22.730       9.625   5.49 0.071 0.857 0.403 2.104     293.536     310.000       7.135    3 
-    520000      104000.00      24.518     -32.115      -7.597   4.72 0.214 0.667 0.273 1.261     222.442     310.000       7.088    3 
-    530000      106000.00      27.167     -41.303     -14.135   3.29 0.357 0.643 0.328 1.538     246.476     310.000       6.578    3 
-    540000      108000.00      24.984     -24.472       0.512   4.13 0.143 0.600 0.182 1.022     226.668     310.000       7.928    3 
-    550000      110000.00      26.157     -19.708       6.449   5.98 0.143 0.333 0.182 1.448     237.310     310.000       7.713    3 
-    560000      112000.00      34.844     -22.637      12.207   4.57 0.143 0.667 0.402 3.346     316.120     310.000       7.574    3 
-    570000      114000.00      32.059     -29.248       2.811   5.12 0.143 0.778 0.313 0.951     290.853     310.000       6.972    3 
-    580000      116000.00      22.079     -16.048       6.031   8.32 0.286 0.200 0.155 2.479     200.315     310.000      11.552    3 
-    590000      118000.00      34.066     -16.779      17.287   4.65 0.000 1.000 0.200 2.649     309.065     310.000       7.695    3 
-    600000      120000.00      29.243     -24.238       5.005   4.91 0.286 0.500 0.301 0.968     265.307     310.000       6.926    3 
-    610000      122000.00      33.311     -39.936      -6.626   4.39 0.357 0.545 0.277 1.331     302.211     300.000       7.114    3 
-    620000      124000.00      30.559     -40.806     -10.246   4.90 0.214 0.667 0.343 2.122     277.249     300.000       6.985    3 
-    630000      126000.00      30.121     -24.839       5.281   5.41 0.286 0.500 0.193 3.094     273.271     300.000       7.237    3 
-    640000      128000.00      29.917     -27.996       1.921   3.38 0.071 0.909 0.343 1.619     271.427     300.000       7.435    3 
-    650000      130000.00      24.779     -39.156     -14.377   3.47 0.286 0.692 0.273 1.313     224.808     300.000       7.148    3 
-    660000      132000.00      33.392     -31.733       1.659   5.01 0.214 0.800 0.403 1.649     302.952     300.000       6.717    3 
-    670000      134000.00      27.487     -34.798      -7.311   3.45 0.286 0.636 0.372 3.001     249.376     300.000       7.269    3 
-    680000      136000.00      27.520     -37.152      -9.632   2.91 0.429 0.500 0.261 1.862     249.671     300.000       7.443    3 
-    690000      138000.00      37.248     -38.213      -0.965   3.62 0.357 0.722 0.308 2.327     337.937     300.000       6.818    3 
-    700000      140000.00      32.452     -33.141      -0.690   3.32 0.429 0.538 0.343 1.137     294.418     300.000       7.134    3 
-    710000      142000.00      19.125     -42.394     -23.269   3.27 0.000 1.000 0.328 0.986     173.512     290.000       6.613    3 
-    720000      144000.00      23.724     -30.431      -6.707   5.37 0.214 0.750 0.261 0.964     215.235     290.000       7.030    3 
-    730000      146000.00      27.900     -29.883      -1.983   4.97 0.214 0.625 0.205 4.475     253.125     290.000       7.383    3 
-    740000      148000.00      25.983     -30.669      -4.686   4.52 0.071 0.857 0.299 1.492     235.731     290.000       8.325    3 
-    750000      150000.00      31.887     -38.089      -6.202   4.34 0.143 0.818 0.355 1.138     289.293     290.000       6.912    3 
-    760000      152000.00      28.927     -31.163      -2.237   4.52 0.143 0.778 0.308 2.728     262.437     290.000       7.705    3 
-    770000      154000.00      26.195     -35.501      -9.306   4.72 0.071 0.900 0.377 1.097     237.657     290.000       7.045    3 
-    780000      156000.00      26.300     -43.206     -16.906   5.28 0.429 0.647 0.372 1.727     238.607     290.000       6.603    3 
-    790000      158000.00      39.479     -39.798      -0.319   6.23 0.214 0.700 0.277 1.340     358.175     290.000       6.775    3 
-    800000      160000.00      35.258     -33.555       1.703   5.58 0.286 0.636 0.248 1.483     319.881     290.000       6.817    3 
-    810000      162000.00      21.785     -27.500      -5.716   4.93 0.143 0.750 0.239 2.151     197.643     280.000       7.800    3 
-    820000      164000.00      33.667     -31.670       1.997   4.51 0.286 0.600 0.323 1.521     305.440     280.000       7.108    3 
-    830000      166000.00      26.230     -37.197     -10.968   4.70 0.357 0.643 0.318 1.945     237.968     280.000       6.819    3 
-    840000      168000.00      24.494     -38.669     -14.175   3.21 0.214 0.700 0.186 1.307     222.226     280.000       7.683    3 
-    850000      170000.00      26.625     -42.943     -16.317   4.57 0.286 0.750 0.378 2.244     241.558     280.000       6.934    3 
-    860000      172000.00      31.248     -31.756      -0.508   3.28 0.286 0.714 0.315 2.453     283.499     280.000       6.867    3 
-    870000      174000.00      21.730     -45.034     -23.304   5.67 0.286 0.556 0.293 2.293     197.145     280.000       7.097    3 
-    880000      176000.00      31.185     -46.047     -14.862   5.57 0.214 0.800 0.309 2.899     282.930     280.000       6.919    3 
-    890000      178000.00      29.258     -40.000     -10.742   5.23 0.214 0.750 0.258 1.627     265.447     280.000       7.016    3 
-    900000      180000.00      27.936     -31.563      -3.626   4.67 0.286 0.667 0.330 1.323     253.454     280.000       7.121    3 
-    910000      182000.00      36.341     -30.953       5.388   5.74 0.214 0.700 0.300 2.949     329.704     280.000       6.891    3 
-    920000      184000.00      22.564     -30.401      -7.836   6.67 0.143 0.600 0.191 1.284     204.716     280.000       7.754    3 
-    930000      186000.00      34.283     -45.495     -11.212   6.18 0.286 0.667 0.189 1.157     311.036     280.000       8.005    3 
-    940000      188000.00      28.903     -34.017      -5.114   3.74 0.143 0.750 0.244 1.453     262.222     280.000       7.772    3 
-    950000      190000.00      19.610     -34.987     -15.376   4.48 0.214 0.667 0.389 1.417     177.915     280.000       7.041    3 
-    960000      192000.00      26.497     -35.899      -9.402   4.66 0.143 0.778 0.323 1.790     240.398     280.000       7.644    3 
-    970000      194000.00      29.606     -28.399       1.207   4.73 0.071 0.889 0.470 1.512     268.598     280.000       7.116    3 
-    980000      196000.00      24.636     -38.381     -13.745   5.07 0.286 0.636 0.293 1.640     223.508     280.000       7.337    3 
-    990000      198000.00      19.981     -40.411     -20.430   4.54 0.143 0.778 0.359 1.469     181.278     280.000       7.844    3 
-   1000000      200000.00      32.882     -31.978       0.904   4.11 0.143 0.818 0.264 0.903     298.324     280.000       7.472    3 
+     10000        2000.00      30.305     -47.522     -17.217   1.63 0.429 0.647 0.337 1.561     274.946     280.000       6.703    3 
+     20000        4000.00      27.324     -47.114     -19.790   2.94 0.286 0.733 0.352 2.102     247.896     280.000       6.780    3 
+     30000        6000.00      21.715     -44.272     -22.557   3.61 0.286 0.765 0.324 1.154     197.013     280.000       6.911    3 
+     40000        8000.00      26.912     -49.741     -22.829   1.82 0.500 0.462 0.213 1.393     244.155     280.000       7.032    3 
+     50000       10000.00      28.169     -43.667     -15.497   3.84 0.214 0.700 0.227 1.344     255.566     280.000       7.216    3 
+     60000       12000.00      34.962     -27.365       7.597   5.56 0.071 0.875 0.278 1.163     317.197     280.000       7.708    3 
+     70000       14000.00      31.270     -46.426     -15.156   4.02 0.286 0.556 0.232 1.284     283.701     280.000       7.324    3 
+     80000       16000.00      31.705     -38.463      -6.758   3.24 0.286 0.636 0.285 2.354     287.643     280.000       6.958    3 
+     90000       18000.00      19.200     -45.413     -26.213   2.64 0.357 0.583 0.273 1.536     174.188     280.000       7.551    3 
+    100000       20000.00      24.988     -44.849     -19.861   3.02 0.357 0.444 0.207 1.168     226.703     280.000       6.831    3 
+    110000       22000.00      22.685     -55.707     -33.022   2.33 0.357 0.667 0.324 2.235     205.808     270.000       6.548    3 
+    120000       24000.00      24.888     -38.313     -13.425   2.04 0.286 0.500 0.239 1.620     225.792     270.000       6.866    3 
+    130000       26000.00      25.085     -45.634     -20.548   1.89 0.571 0.467 0.288 1.122     227.585     270.000       6.589    3 
+    140000       28000.00      24.270     -45.600     -21.330   3.86 0.357 0.667 0.333 2.193     220.193     270.000       6.878    3 
+    150000       30000.00      27.234     -47.451     -20.217   3.93 0.357 0.688 0.318 0.522     247.080     270.000       6.483    3 
+    160000       32000.00      20.658     -45.786     -25.128   3.06 0.429 0.600 0.252 2.028     187.424     270.000       6.659    3 
+    170000       34000.00      28.002     -52.880     -24.879   4.25 0.214 0.769 0.252 1.064     254.045     270.000       6.966    3 
+    180000       36000.00      29.632     -45.413     -15.781   1.77 0.500 0.611 0.280 2.116     268.832     270.000       6.634    3 
+    190000       38000.00      24.269     -45.450     -21.182   2.66 0.571 0.500 0.298 1.154     220.177     270.000       6.930    3 
+    200000       40000.00      23.661     -42.998     -19.337   3.33 0.286 0.667 0.337 1.415     214.661     270.000       7.095    3 
+    210000       42000.00      26.399     -35.618      -9.219   3.72 0.643 0.526 0.364 1.717     239.509     280.000       6.376    3 
+    220000       44000.00      28.557     -46.633     -18.076   2.05 0.357 0.545 0.289 1.311     259.081     280.000       7.190    3 
+    230000       46000.00      24.657     -36.250     -11.593   2.96 0.286 0.636 0.285 1.948     223.703     280.000       7.073    3 
+    240000       48000.00      31.268     -50.882     -19.614   3.58 0.214 0.786 0.279 0.766     283.682     280.000       6.469    3 
+    250000       50000.00      29.459     -37.619      -8.160   4.06 0.286 0.692 0.255 0.747     267.269     280.000       6.922    3 
+    260000       52000.00      29.114     -37.930      -8.816   2.24 0.643 0.357 0.312 1.883     264.140     280.000       6.947    3 
+    270000       54000.00      25.890     -41.559     -15.669   3.31 0.500 0.364 0.236 1.043     234.887     280.000       6.935    3 
+    280000       56000.00      31.476     -37.053      -5.577   1.83 0.286 0.667 0.337 2.178     285.565     280.000       6.842    3 
+    290000       58000.00      26.047     -33.765      -7.718   2.77 0.214 0.625 0.347 1.817     236.314     280.000       6.784    3 
+    300000       60000.00      31.730     -41.124      -9.394   4.08 0.286 0.733 0.315 2.326     287.873     280.000       6.526    3 
+    310000       62000.00      23.455     -45.622     -22.167   2.43 0.357 0.667 0.352 2.930     212.793     270.000       6.437    3 
+    320000       64000.00      29.018     -50.436     -21.418   3.33 0.357 0.667 0.324 1.929     263.268     270.000       6.383    3 
+    330000       66000.00      27.759     -55.264     -27.505   3.15 0.357 0.667 0.327 1.121     251.841     270.000       6.492    3 
+    340000       68000.00      28.032     -53.371     -25.340   3.15 0.429 0.647 0.286 1.471     254.318     270.000       6.538    3 
+    350000       70000.00      26.818     -51.073     -24.256   2.48 0.643 0.500 0.311 1.928     243.304     270.000       6.600    3 
+    360000       72000.00      26.253     -35.513      -9.260   2.50 0.286 0.500 0.210 1.802     238.179     270.000       6.996    3 
+    370000       74000.00      24.145     -52.147     -28.002   2.18 0.500 0.417 0.239 1.842     219.060     270.000       6.636    3 
+    380000       76000.00      27.420     -45.200     -17.779   3.51 0.286 0.636 0.285 1.334     248.772     270.000       7.066    3 
+    390000       78000.00      30.010     -47.096     -17.085   3.93 0.286 0.667 0.322 2.044     272.270     270.000       6.628    3 
+    400000       80000.00      24.129     -45.331     -21.201   3.30 0.429 0.667 0.301 2.221     218.913     270.000       6.439    3 
+    410000       82000.00      21.534     -45.081     -23.547   2.78 0.357 0.667 0.309 1.522     195.365     270.000       6.622    3 
+    420000       84000.00      19.018     -41.799     -22.782   3.04 0.143 0.857 0.289 1.517     172.537     270.000       7.035    3 
+    430000       86000.00      32.701     -46.947     -14.246   5.14 0.143 0.818 0.380 1.585     296.681     270.000       6.900    3 
+    440000       88000.00      27.372     -33.289      -5.917   2.81 0.357 0.583 0.311 1.509     248.337     270.000       6.626    3 
+    450000       90000.00      30.353     -51.458     -21.105   2.45 0.571 0.529 0.342 1.431     275.377     270.000       6.590    3 
+    460000       92000.00      22.090     -50.855     -28.765   2.92 0.357 0.722 0.348 1.915     200.416     270.000       6.283    3 
+    470000       94000.00      31.462     -48.408     -16.946   2.90 0.214 0.750 0.322 1.087     285.438     270.000       6.481    3 
+    480000       96000.00      24.261     -37.684     -13.423   2.16 0.143 0.667 0.205 1.795     220.112     270.000       7.135    3 
+    490000       98000.00      26.980     -49.025     -22.045   3.09 0.429 0.700 0.318 1.288     244.776     270.000       6.516    3 
+    500000      100000.00      26.594     -45.870     -19.276   2.79 0.429 0.538 0.255 0.900     241.274     270.000       6.668    3 
+    510000      102000.00      27.581     -39.110     -11.529   3.91 0.286 0.636 0.231 1.951     250.225     260.000       6.841    3 
+    520000      104000.00      20.997     -49.614     -28.617   2.66 0.500 0.462 0.280 1.071     190.496     260.000       6.603    3 
+    530000      106000.00      23.089     -54.193     -31.104   3.18 0.286 0.714 0.334 1.022     209.477     260.000       6.468    3 
+    540000      108000.00      21.041     -53.450     -32.408   3.03 0.286 0.692 0.346 1.044     190.899     260.000       6.560    3 
+    550000      110000.00      23.049     -61.542     -38.493   3.63 0.357 0.762 0.390 0.832     209.113     260.000       6.277    3 
+    560000      112000.00      28.392     -51.959     -23.567   7.05 0.286 0.714 0.237 0.909     257.588     260.000       7.141    3 
+    570000      114000.00      23.948     -58.625     -34.677   2.74 0.286 0.714 0.328 1.776     217.267     260.000       6.549    3 
+    580000      116000.00      18.571     -53.177     -34.606   3.37 0.429 0.647 0.289 1.649     168.486     260.000       6.851    3 
+    590000      118000.00      30.115     -57.740     -27.625   2.40 0.714 0.444 0.331 2.322     273.216     260.000       6.334    3 
+    600000      120000.00      25.634     -63.185     -37.551   3.03 0.500 0.562 0.264 1.205     232.562     260.000       6.612    3 
+    610000      122000.00      29.324     -42.103     -12.779   1.73 0.429 0.571 0.321 1.199     266.042     270.000       6.830    3 
+    620000      124000.00      23.802     -47.336     -23.534   2.95 0.286 0.556 0.207 1.857     215.944     270.000       7.415    3 
+    630000      126000.00      28.351     -36.088      -7.737   4.32 0.286 0.200 0.155 1.316     257.216     270.000       8.577    3 
+    640000      128000.00      27.291     -41.096     -13.805   2.61 0.500 0.533 0.285 0.891     247.601     270.000       7.071    3 
+    650000      130000.00      23.573     -48.782     -25.209   3.12 0.429 0.625 0.295 1.319     213.865     270.000       6.262    3 
+    660000      132000.00      27.944     -51.167     -23.223   3.88 0.429 0.600 0.306 1.684     253.519     270.000       6.552    3 
+    670000      134000.00      23.080     -38.604     -15.523   2.20 0.357 0.444 0.263 1.094     209.397     270.000       6.723    3 
+    680000      136000.00      28.973     -50.516     -21.542   2.55 0.429 0.571 0.334 1.488     262.861     270.000       6.675    3 
+    690000      138000.00      31.794     -49.317     -17.523   1.90 0.429 0.500 0.239 0.787     288.448     270.000       6.701    3 
+    700000      140000.00      26.896     -48.713     -21.817   2.76 0.357 0.545 0.227 1.457     244.011     270.000       6.663    3 
+    710000      142000.00      15.690     -50.768     -35.078   2.24 0.214 0.667 0.253 1.366     142.347     270.000       6.987    3 
+    720000      144000.00      21.531     -48.706     -27.175   3.24 0.286 0.692 0.318 1.172     195.345     270.000       6.532    3 
+    730000      146000.00      30.325     -48.088     -17.763   3.51 0.214 0.727 0.302 2.114     275.123     270.000       6.776    3 
+    740000      148000.00      22.217     -43.855     -21.638   3.38 0.286 0.636 0.236 2.637     201.561     270.000       6.872    3 
+    750000      150000.00      30.843     -47.947     -17.104   2.43 0.500 0.462 0.231 1.611     279.824     270.000       6.791    3 
+    760000      152000.00      25.253     -45.750     -20.497   2.17 0.500 0.533 0.348 1.264     229.109     270.000       6.777    3 
+    770000      154000.00      27.668     -45.312     -17.644   2.42 0.429 0.500 0.269 1.214     251.023     270.000       6.692    3 
+    780000      156000.00      26.725     -45.793     -19.068   2.52 0.571 0.500 0.273 1.002     242.465     270.000       6.507    3 
+    790000      158000.00      36.616     -51.795     -15.179   3.07 0.357 0.643 0.282 3.062     332.198     270.000       7.030    3 
+    800000      160000.00      24.897     -43.772     -18.875   3.37 0.286 0.667 0.326 1.553     225.877     270.000       6.436    3 
+    810000      162000.00      26.118     -48.643     -22.525   3.14 0.286 0.733 0.324 0.591     236.959     270.000       6.580    3 
+    820000      164000.00      35.022     -45.682     -10.660   2.49 0.500 0.462 0.255 1.253     317.736     270.000       6.510    3 
+    830000      166000.00      27.692     -47.943     -20.251   2.41 0.571 0.556 0.250 2.465     251.234     270.000       6.586    3 
+    840000      168000.00      23.916     -51.940     -28.024   2.50 0.500 0.562 0.315 2.022     216.974     270.000       6.362    3 
+    850000      170000.00      24.842     -42.531     -17.689   4.75 0.357 0.643 0.351 1.535     225.375     270.000       6.562    3 
+    860000      172000.00      29.706     -46.087     -16.381   3.50 0.429 0.571 0.289 1.137     269.512     270.000       6.604    3 
+    870000      174000.00      18.737     -47.238     -28.501   3.60 0.500 0.562 0.392 2.112     169.994     270.000       6.225    3 
+    880000      176000.00      31.744     -43.477     -11.733   3.28 0.357 0.667 0.318 2.445     287.995     270.000       6.874    3 
+    890000      178000.00      29.315     -42.028     -12.713   2.89 0.357 0.444 0.278 1.164     265.961     270.000       6.579    3 
+    900000      180000.00      24.958     -45.263     -20.305   3.12 0.500 0.611 0.270 1.077     226.429     270.000       6.581    3 
+    910000      182000.00      33.457     -45.463     -12.006   3.07 0.286 0.667 0.364 1.424     303.538     280.000       6.573    3 
+    920000      184000.00      25.919     -45.514     -19.595   2.33 0.357 0.583 0.322 1.053     235.148     280.000       6.801    3 
+    930000      186000.00      32.749     -34.650      -1.901   3.44 0.286 0.692 0.301 0.960     297.119     280.000       6.522    3 
+    940000      188000.00      30.663     -46.693     -16.030   4.03 0.286 0.692 0.220 1.129     278.195     280.000       7.296    3 
+    950000      190000.00      19.875     -57.670     -37.795   4.68 0.357 0.722 0.285 1.671     180.316     280.000       6.705    3 
+    960000      192000.00      24.133     -49.453     -25.320   1.97 0.500 0.462 0.280 1.375     218.951     280.000       6.556    3 
+    970000      194000.00      29.177     -40.165     -10.988   3.78 0.214 0.727 0.227 2.290     264.708     280.000       7.374    3 
+    980000      196000.00      24.466     -43.651     -19.186   3.93 0.286 0.733 0.352 3.115     221.964     280.000       7.368    3 
+    990000      198000.00      19.098     -34.206     -15.107   5.11 0.286 0.600 0.245 1.190     173.269     280.000       7.049    3 
+   1000000      200000.00      31.039     -38.466      -7.428   3.64 0.429 0.625 0.287 2.446     281.599     280.000       7.063    3 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB004.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB004.stat
index 3cee5e7..e0e7152 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB004.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB004.stat
@@ -1,101 +1,101 @@
          0           0.00      26.956     661.560     688.516   0.00 1.000 0.000 0.308 8.661     244.559     290.000       7.001    4 
-     10000        2000.00      28.995     -27.381       1.614   2.97 0.286 0.500 0.216 1.799     263.060     290.000       7.677    4 
-     20000        4000.00      25.488     -31.716      -6.229   4.47 0.143 0.714 0.286 1.915     231.237     290.000       7.136    4 
-     30000        6000.00      35.900     -28.718       7.182   4.78 0.143 0.778 0.374 2.175     325.706     290.000       6.957    4 
-     40000        8000.00      34.276     -25.142       9.134   5.72 0.214 0.400 0.191 1.880     310.967     290.000       9.219    4 
-     50000       10000.00      31.797     -13.932      17.865   5.02 0.286 0.667 0.280 2.262     288.477     290.000       7.077    4 
-     60000       12000.00      29.836     -34.655      -4.819   4.70 0.071 0.875 0.335 1.018     270.688     290.000       7.120    4 
-     70000       14000.00      27.397     -27.503      -0.106   4.28 0.214 0.667 0.333 1.743     248.564     290.000       7.181    4 
-     80000       16000.00      30.753     -30.326       0.427   4.94 0.143 0.818 0.405 1.084     279.008     290.000       7.423    4 
-     90000       18000.00      25.417     -23.231       2.185   5.88 0.143 0.600 0.191 1.601     230.593     290.000       7.685    4 
-    100000       20000.00      29.457     -32.298      -2.841   5.13 0.214 0.700 0.214 2.272     267.246     290.000       7.918    4 
-    110000       22000.00      34.624     -35.773      -1.149   6.02 0.286 0.692 0.280 1.530     314.124     280.000       6.657    4 
-    120000       24000.00      31.702     -36.541      -4.839   5.86 0.071 0.889 0.298 1.883     287.620     280.000       6.861    4 
-    130000       26000.00      25.130     -38.962     -13.832   5.17 0.286 0.556 0.217 2.330     227.988     280.000       7.754    4 
-    140000       28000.00      25.694     -37.418     -11.724   4.27 0.143 0.778 0.242 1.067     233.108     280.000       6.955    4 
-    150000       30000.00      30.411     -39.627      -9.216   4.94 0.143 0.667 0.197 1.986     275.909     280.000       7.436    4 
-    160000       32000.00      23.884     -32.171      -8.287   5.50 0.214 0.625 0.205 1.010     216.684     280.000       9.229    4 
-    170000       34000.00      20.134     -33.192     -13.058   2.95 0.214 0.786 0.315 2.959     182.663     280.000       6.315    4 
-    180000       36000.00      28.990     -22.767       6.222   3.19 0.429 0.455 0.264 1.568     263.012     280.000       6.754    4 
-    190000       38000.00      29.215     -24.490       4.725   6.77 0.143 0.714 0.201 1.638     265.057     280.000       8.466    4 
-    200000       40000.00      29.202     -40.764     -11.563   3.00 0.286 0.733 0.355 2.686     264.934     280.000       6.744    4 
-    210000       42000.00      26.016     -46.650     -20.633   3.45 0.286 0.733 0.279 1.136     236.032     270.000       6.681    4 
-    220000       44000.00      26.785     -43.428     -16.642   3.95 0.429 0.684 0.356 1.882     243.011     270.000       6.860    4 
-    230000       46000.00      23.225     -42.401     -19.176   2.37 0.286 0.600 0.323 2.374     210.711     270.000       6.948    4 
-    240000       48000.00      19.749     -44.418     -24.669   4.58 0.357 0.615 0.269 1.756     179.173     270.000       6.970    4 
-    250000       50000.00      19.679     -51.228     -31.549   1.81 0.571 0.556 0.316 1.467     178.539     270.000       6.486    4 
-    260000       52000.00      27.295     -44.682     -17.387   2.43 0.429 0.538 0.255 3.031     247.634     270.000       6.944    4 
-    270000       54000.00      21.852     -42.338     -20.486   3.09 0.429 0.571 0.256 2.498     198.252     270.000       6.712    4 
-    280000       56000.00      26.488     -58.407     -31.919   3.31 0.429 0.700 0.361 2.176     240.312     270.000       6.297    4 
-    290000       58000.00      26.942     -51.880     -24.937   2.53 0.286 0.667 0.269 2.045     244.434     270.000       7.033    4 
-    300000       60000.00      25.990     -39.397     -13.407   2.50 0.286 0.600 0.309 1.997     235.794     270.000       6.932    4 
-    310000       62000.00      24.821     -56.372     -31.551   3.56 0.357 0.688 0.335 1.095     225.187     270.000       6.747    4 
-    320000       64000.00      25.279     -38.841     -13.562   2.20 0.429 0.571 0.295 1.993     229.343     270.000       6.805    4 
-    330000       66000.00      27.904     -50.568     -22.664   2.49 0.357 0.500 0.191 1.304     253.158     270.000       6.522    4 
-    340000       68000.00      27.978     -39.959     -11.981   2.06 0.286 0.667 0.292 2.806     253.834     270.000       6.580    4 
-    350000       70000.00      26.759     -48.202     -21.443   2.63 0.143 0.833 0.292 0.854     242.770     270.000       6.586    4 
-    360000       72000.00      19.104     -46.963     -27.859   3.37 0.500 0.500 0.325 1.037     173.324     270.000       6.634    4 
-    370000       74000.00      32.137     -47.833     -15.697   2.52 0.500 0.500 0.302 1.874     291.559     270.000       6.694    4 
-    380000       76000.00      26.788     -41.579     -14.791   2.78 0.357 0.545 0.293 1.687     243.037     270.000       7.089    4 
-    390000       78000.00      26.739     -46.873     -20.135   3.15 0.214 0.786 0.351 1.578     242.588     270.000       6.300    4 
-    400000       80000.00      29.066     -50.391     -21.325   2.73 0.500 0.650 0.311 1.489     263.703     270.000       6.720    4 
-    410000       82000.00      23.989     -34.350     -10.361   3.22 0.357 0.643 0.276 1.474     217.643     270.000       7.271    4 
-    420000       84000.00      21.440     -39.687     -18.247   2.67 0.500 0.562 0.259 1.310     194.519     270.000       7.339    4 
-    430000       86000.00      31.730     -49.918     -18.187   2.72 0.571 0.600 0.284 1.647     287.875     270.000       7.075    4 
-    440000       88000.00      22.561     -46.182     -23.621   3.01 0.357 0.706 0.289 1.558     204.685     270.000       6.858    4 
-    450000       90000.00      24.933     -53.085     -28.152   3.24 0.357 0.583 0.193 1.282     226.207     270.000       6.956    4 
-    460000       92000.00      26.646     -63.245     -36.599   2.93 0.357 0.737 0.335 1.659     241.747     270.000       6.476    4 
-    470000       94000.00      22.724     -32.194      -9.470   3.08 0.286 0.733 0.291 2.176     206.166     270.000       6.699    4 
-    480000       96000.00      30.138     -46.191     -16.053   2.43 0.357 0.667 0.309 1.333     273.427     270.000       6.620    4 
-    490000       98000.00      27.050     -47.769     -20.719   2.83 0.143 0.818 0.322 1.641     245.411     270.000       7.178    4 
-    500000      100000.00      19.251     -43.661     -24.410   3.50 0.357 0.583 0.261 0.923     174.659     270.000       7.135    4 
-    510000      102000.00      28.071     -52.320     -24.249   3.97 0.500 0.500 0.295 1.717     254.676     270.000       7.035    4 
-    520000      104000.00      25.401     -34.025      -8.623   3.22 0.500 0.562 0.276 3.926     230.455     270.000       6.573    4 
-    530000      106000.00      21.509     -49.237     -27.728   1.89 0.571 0.500 0.287 1.715     195.142     270.000       6.722    4 
-    540000      108000.00      25.230     -52.465     -27.235   1.59 0.786 0.421 0.278 1.835     228.899     270.000       6.787    4 
-    550000      110000.00      26.917     -40.334     -13.417   2.30 0.500 0.462 0.192 2.887     244.205     270.000       6.768    4 
-    560000      112000.00      25.553     -46.991     -21.438   4.98 0.286 0.636 0.211 2.693     231.834     270.000       7.533    4 
-    570000      114000.00      25.037     -39.283     -14.245   2.97 0.286 0.500 0.176 1.478     227.151     270.000       7.730    4 
-    580000      116000.00      30.485     -49.277     -18.791   2.69 0.357 0.667 0.279 1.293     276.579     270.000       6.407    4 
-    590000      118000.00      26.481     -49.445     -22.964   2.35 0.357 0.667 0.276 1.016     240.247     270.000       6.333    4 
-    600000      120000.00      25.284     -40.792     -15.508   3.64 0.143 0.833 0.280 1.477     229.389     270.000       6.879    4 
-    610000      122000.00      26.144     -51.447     -25.303   3.82 0.286 0.714 0.351 1.464     237.193     270.000       6.690    4 
-    620000      124000.00      27.386     -46.064     -18.678   3.87 0.357 0.667 0.303 1.739     248.460     270.000       6.590    4 
-    630000      126000.00      26.323     -58.313     -31.990   2.49 0.500 0.611 0.326 1.116     238.819     270.000       6.422    4 
-    640000      128000.00      25.015     -54.933     -29.918   1.86 0.357 0.615 0.294 1.591     226.951     270.000       6.937    4 
-    650000      130000.00      33.098     -44.211     -11.113   2.04 0.571 0.385 0.227 1.338     300.280     270.000       7.169    4 
-    660000      132000.00      24.560     -39.789     -15.229   3.15 0.214 0.727 0.401 2.390     222.816     270.000       6.458    4 
-    670000      134000.00      25.986     -36.775     -10.789   5.67 0.429 0.500 0.212 1.996     235.760     270.000       7.822    4 
-    680000      136000.00      27.914     -36.131      -8.216   6.33 0.286 0.500 0.216 1.444     253.253     270.000       7.338    4 
-    690000      138000.00      24.516     -51.008     -26.492   6.27 0.357 0.667 0.227 0.877     222.422     270.000       6.990    4 
-    700000      140000.00      26.030     -47.932     -21.902   4.74 0.357 0.615 0.252 1.465     236.157     270.000       6.768    4 
-    710000      142000.00      29.210     -46.768     -17.558   3.86 0.286 0.692 0.262 0.969     265.006     280.000       6.623    4 
-    720000      144000.00      25.345     -37.809     -12.463   4.40 0.286 0.667 0.261 2.239     229.947     280.000       6.786    4 
-    730000      146000.00      26.147     -42.661     -16.514   2.75 0.214 0.571 0.188 1.310     237.217     280.000       7.314    4 
-    740000      148000.00      19.266     -44.820     -25.555   2.67 0.571 0.500 0.312 0.831     174.790     280.000       6.650    4 
-    750000      150000.00      22.810     -39.435     -16.626   2.97 0.429 0.600 0.361 2.550     206.940     280.000       6.566    4 
-    760000      152000.00      35.419     -39.301      -3.881   6.43 0.286 0.636 0.207 2.100     321.341     280.000       7.645    4 
-    770000      154000.00      29.575     -39.295      -9.719   2.28 0.429 0.625 0.321 2.904     268.322     280.000       6.476    4 
-    780000      156000.00      28.948     -47.172     -18.224   2.22 0.429 0.455 0.273 1.602     262.630     280.000       6.627    4 
-    790000      158000.00      25.260     -36.833     -11.572   2.13 0.571 0.529 0.316 1.250     229.174     280.000       6.766    4 
-    800000      160000.00      26.779     -35.159      -8.380   5.96 0.214 0.667 0.207 2.415     242.956     280.000       8.653    4 
-    810000      162000.00      28.870     -47.284     -18.414   6.80 0.286 0.733 0.212 1.683     261.927     290.000       7.561    4 
-    820000      164000.00      25.129     -35.400     -10.271   4.56 0.357 0.643 0.237 2.059     227.986     290.000       6.778    4 
-    830000      166000.00      26.588     -30.124      -3.536   6.13 0.071 0.800 0.164 1.673     241.222     290.000       9.210    4 
-    840000      168000.00      24.283     -38.043     -13.760   6.15 0.143 0.778 0.222 1.273     220.309     290.000       7.594    4 
-    850000      170000.00      20.918     -25.613      -4.695   7.37 0.214 0.400 0.145 2.251     189.783     290.000      10.696    4 
-    860000      172000.00      27.235     -27.239      -0.003   4.31 0.357 0.545 0.178 2.143     247.094     290.000       8.287    4 
-    870000      174000.00      36.840     -34.444       2.396   3.16 0.071 0.875 0.278 1.435     334.236     290.000       7.175    4 
-    880000      176000.00      29.683     -22.940       6.743   3.82 0.143 0.667 0.273 2.954     269.299     290.000       7.441    4 
-    890000      178000.00      27.927     -37.824      -9.897   3.43 0.357 0.583 0.258 1.045     253.368     290.000       7.314    4 
-    900000      180000.00      29.389     -27.340       2.048   3.39 0.214 0.625 0.227 2.143     266.629     290.000       8.220    4 
-    910000      182000.00      35.864     -16.990      18.874   5.10 0.071 0.750 0.148 2.908     325.376     320.000       7.591    4 
-    920000      184000.00      26.238      -8.015      18.223   5.16 0.214 0.250 0.148 1.523     238.048     320.000       8.884    4 
-    930000      186000.00      25.000     -26.693      -1.694   5.47 0.214 0.667 0.394 1.671     226.810     320.000       7.716    4 
-    940000      188000.00      26.548     -18.891       7.657   8.14 0.071 0.667 0.152 1.469     240.853     320.000      11.862    4 
-    950000      190000.00      34.418     -19.672      14.746   3.78 0.071 0.857 0.188 1.401     312.257     320.000       8.398    4 
-    960000      192000.00      31.236     -31.408      -0.173   2.79 0.214 0.500 0.212 1.830     283.387     320.000       7.920    4 
-    970000      194000.00      31.120     -33.119      -1.999   4.63 0.286 0.667 0.402 2.390     282.334     320.000       6.704    4 
-    980000      196000.00      36.231     -12.836      23.396   4.17 0.357 0.500 0.223 0.902     328.710     320.000       7.211    4 
-    990000      198000.00      37.668     -14.624      23.044   5.31 0.143 0.818 0.483 1.219     341.745     320.000       6.806    4 
-   1000000      200000.00      34.615      -9.332      25.284   3.00 0.357 0.545 0.413 4.882     314.048     320.000       7.355    4 
+     10000        2000.00      28.476     -25.786       2.690   3.33 0.286 0.429 0.201 2.198     258.350     290.000       7.903    4 
+     20000        4000.00      27.835     -28.526      -0.691   4.90 0.429 0.455 0.194 1.639     252.537     290.000       7.902    4 
+     30000        6000.00      33.690     -37.596      -3.905   3.47 0.357 0.545 0.198 2.658     305.656     290.000       7.152    4 
+     40000        8000.00      31.540     -42.522     -10.982   3.04 0.429 0.538 0.283 1.130     286.149     290.000       6.882    4 
+     50000       10000.00      32.955     -31.350       1.605   3.38 0.214 0.750 0.250 1.288     298.984     290.000       6.864    4 
+     60000       12000.00      22.621     -31.573      -8.953   3.00 0.143 0.714 0.234 0.973     205.226     290.000       7.327    4 
+     70000       14000.00      26.857     -31.925      -5.068   4.36 0.286 0.556 0.328 1.750     243.657     290.000       7.556    4 
+     80000       16000.00      27.647     -35.991      -8.344   4.69 0.214 0.700 0.218 1.575     250.824     290.000       7.370    4 
+     90000       18000.00      28.287     -31.607      -3.320   3.71 0.357 0.583 0.193 1.482     256.636     290.000       6.988    4 
+    100000       20000.00      30.675     -38.465      -7.789   3.78 0.286 0.600 0.232 2.395     278.303     290.000       7.740    4 
+    110000       22000.00      28.137     -32.815      -4.678   3.29 0.357 0.615 0.350 1.762     255.276     280.000       6.808    4 
+    120000       24000.00      34.982     -37.131      -2.150   3.45 0.214 0.500 0.159 1.752     317.372     280.000       7.388    4 
+    130000       26000.00      24.372     -38.376     -14.004   3.38 0.214 0.769 0.269 1.340     221.114     280.000       6.770    4 
+    140000       28000.00      27.820     -49.847     -22.027   4.17 0.357 0.643 0.341 1.894     252.397     280.000       6.522    4 
+    150000       30000.00      32.020     -35.193      -3.173   3.70 0.286 0.600 0.214 1.538     290.506     280.000       7.208    4 
+    160000       32000.00      20.160     -32.780     -12.620   2.05 0.500 0.500 0.344 1.465     182.905     280.000       6.782    4 
+    170000       34000.00      23.255     -53.518     -30.263   1.89 0.571 0.467 0.303 0.779     210.979     280.000       6.619    4 
+    180000       36000.00      34.572     -26.232       8.340   3.18 0.429 0.538 0.259 1.989     313.660     280.000       7.015    4 
+    190000       38000.00      29.375     -43.149     -13.775   5.09 0.429 0.667 0.222 1.640     266.502     280.000       7.452    4 
+    200000       40000.00      26.959     -45.595     -18.636   2.53 0.429 0.625 0.301 1.503     244.585     280.000       6.460    4 
+    210000       42000.00      25.834     -41.483     -15.649   3.60 0.357 0.583 0.254 2.137     234.383     270.000       6.456    4 
+    220000       44000.00      26.454     -52.002     -25.548   3.63 0.286 0.692 0.318 2.824     240.001     270.000       6.313    4 
+    230000       46000.00      21.069     -43.464     -22.395   3.16 0.429 0.647 0.270 2.264     191.153     270.000       6.829    4 
+    240000       48000.00      21.543     -49.244     -27.700   1.88 0.643 0.308 0.301 1.085     195.453     270.000       6.894    4 
+    250000       50000.00      23.477     -35.520     -12.043   2.08 0.357 0.444 0.278 1.887     212.996     270.000       7.277    4 
+    260000       52000.00      28.725     -53.672     -24.947   2.03 0.286 0.714 0.377 1.002     260.605     270.000       6.470    4 
+    270000       54000.00      24.308     -56.198     -31.891   1.98 0.357 0.688 0.267 2.706     220.531     270.000       6.622    4 
+    280000       56000.00      22.563     -41.655     -19.092   1.88 0.357 0.545 0.260 1.278     204.700     270.000       6.740    4 
+    290000       58000.00      25.381     -53.407     -28.026   2.87 0.500 0.588 0.265 1.726     230.267     270.000       6.676    4 
+    300000       60000.00      32.779     -39.826      -7.048   4.21 0.286 0.765 0.345 2.163     297.386     270.000       6.337    4 
+    310000       62000.00      22.417     -46.363     -23.946   2.65 0.357 0.545 0.306 1.121     203.377     280.000       6.964    4 
+    320000       64000.00      27.700     -44.982     -17.283   2.84 0.429 0.600 0.273 1.287     251.306     280.000       6.845    4 
+    330000       66000.00      28.573     -28.051       0.522   4.33 0.143 0.667 0.189 1.001     259.229     280.000       8.560    4 
+    340000       68000.00      30.853     -23.146       7.707   2.75 0.214 0.250 0.227 1.815     279.915     280.000       8.236    4 
+    350000       70000.00      27.486     -37.813     -10.327   3.71 0.286 0.692 0.241 1.604     249.363     280.000       7.429    4 
+    360000       72000.00      20.935     -36.617     -15.682   3.59 0.214 0.727 0.236 1.554     189.937     280.000       7.069    4 
+    370000       74000.00      29.849     -46.011     -16.163   3.48 0.357 0.545 0.310 1.127     270.803     280.000       7.152    4 
+    380000       76000.00      26.994     -45.682     -18.688   1.81 0.286 0.667 0.201 1.896     244.899     280.000       6.993    4 
+    390000       78000.00      28.562     -37.190      -8.628   2.22 0.429 0.500 0.318 1.573     259.129     280.000       6.458    4 
+    400000       80000.00      30.749     -41.604     -10.855   2.40 0.429 0.571 0.325 3.203     278.970     280.000       6.408    4 
+    410000       82000.00      26.380     -43.876     -17.496   2.51 0.571 0.500 0.304 2.156     239.331     280.000       6.531    4 
+    420000       84000.00      22.974     -32.737      -9.764   6.96 0.143 0.778 0.222 1.843     208.428     280.000       7.548    4 
+    430000       86000.00      31.376     -54.715     -23.339   3.38 0.357 0.667 0.252 1.667     284.659     280.000       6.580    4 
+    440000       88000.00      29.134     -51.292     -22.158   2.13 0.500 0.500 0.269 1.332     264.323     280.000       6.554    4 
+    450000       90000.00      27.751     -42.341     -14.590   2.50 0.429 0.571 0.360 1.352     251.773     280.000       6.879    4 
+    460000       92000.00      26.253     -53.291     -27.038   5.97 0.143 0.800 0.245 1.656     238.179     280.000       7.050    4 
+    470000       94000.00      24.986     -37.264     -12.278   4.01 0.286 0.636 0.277 3.117     226.689     280.000       6.870    4 
+    480000       96000.00      27.232     -36.796      -9.564   4.42 0.357 0.615 0.280 0.908     247.059     280.000       6.864    4 
+    490000       98000.00      32.216     -33.285      -1.069   5.72 0.286 0.714 0.286 1.995     292.280     280.000       6.676    4 
+    500000      100000.00      20.025     -35.677     -15.652   4.61 0.214 0.812 0.349 1.307     181.673     280.000       7.175    4 
+    510000      102000.00      24.717     -35.091     -10.374   5.28 0.286 0.714 0.331 1.536     224.242     290.000       6.727    4 
+    520000      104000.00      25.473     -23.336       2.138   4.89 0.071 0.833 0.280 2.180     231.108     290.000       8.305    4 
+    530000      106000.00      24.950     -40.631     -15.681   3.44 0.357 0.615 0.346 1.327     226.355     290.000       6.688    4 
+    540000      108000.00      23.283     -39.713     -16.430   3.38 0.214 0.800 0.330 1.323     211.233     290.000       6.550    4 
+    550000      110000.00      31.167     -33.346      -2.178   2.65 0.429 0.538 0.318 2.946     282.764     290.000       6.857    4 
+    560000      112000.00      27.871     -28.827      -0.956   3.67 0.143 0.750 0.284 1.663     252.856     290.000       7.013    4 
+    570000      114000.00      25.722     -37.474     -11.752   3.84 0.286 0.714 0.360 2.434     233.364     290.000       6.699    4 
+    580000      116000.00      33.726     -21.954      11.772   2.65 0.286 0.556 0.293 3.074     305.984     290.000       7.367    4 
+    590000      118000.00      29.604     -37.771      -8.167   6.55 0.143 0.800 0.255 0.932     268.584     290.000       7.299    4 
+    600000      120000.00      27.539     -35.560      -8.021   5.80 0.214 0.625 0.182 1.184     249.850     290.000       8.171    4 
+    610000      122000.00      34.767     -35.201      -0.434   5.26 0.286 0.429 0.221 1.315     315.425     300.000       7.769    4 
+    620000      124000.00      31.382     -21.320      10.062   4.56 0.286 0.636 0.215 1.624     284.714     300.000       7.696    4 
+    630000      126000.00      32.300     -32.373      -0.073   5.28 0.214 0.727 0.376 1.157     293.043     300.000       7.346    4 
+    640000      128000.00      29.532     -37.339      -7.807   4.58 0.357 0.500 0.300 1.502     267.933     300.000       7.033    4 
+    650000      130000.00      36.297     -26.702       9.595   5.88 0.143 0.600 0.164 1.148     329.306     300.000       8.872    4 
+    660000      132000.00      27.520     -41.502     -13.982   4.30 0.286 0.667 0.367 2.086     249.674     300.000       7.320    4 
+    670000      134000.00      33.352     -28.612       4.740   4.52 0.214 0.700 0.314 1.710     302.587     300.000       7.132    4 
+    680000      136000.00      33.353     -43.540     -10.187   4.46 0.214 0.786 0.321 1.350     302.595     300.000       6.813    4 
+    690000      138000.00      28.160     -43.834     -15.674   4.28 0.214 0.700 0.418 1.542     255.484     300.000       6.799    4 
+    700000      140000.00      32.081     -23.739       8.341   7.23 0.143 0.750 0.256 1.172     291.052     300.000       7.680    4 
+    710000      142000.00      29.418     -38.412      -8.994   5.21 0.357 0.583 0.269 1.783     266.895     290.000       6.954    4 
+    720000      144000.00      25.904     -33.151      -7.247   4.36 0.143 0.778 0.384 2.656     235.014     290.000       7.272    4 
+    730000      146000.00      30.465     -35.269      -4.803   3.01 0.357 0.444 0.283 1.612     276.398     290.000       7.191    4 
+    740000      148000.00      19.619     -31.050     -11.431   2.62 0.214 0.500 0.258 0.996     177.995     290.000       7.355    4 
+    750000      150000.00      26.588     -24.069       2.518   4.16 0.143 0.818 0.310 1.387     241.219     290.000       7.081    4 
+    760000      152000.00      42.881     -47.440      -4.559   3.98 0.214 0.769 0.339 1.664     389.037     290.000       6.772    4 
+    770000      154000.00      32.351     -36.133      -3.782   5.65 0.214 0.812 0.307 1.190     293.504     290.000       6.545    4 
+    780000      156000.00      29.087     -37.209      -8.122   6.42 0.071 0.875 0.233 2.215     263.896     290.000       7.693    4 
+    790000      158000.00      30.575     -32.594      -2.018   6.00 0.143 0.667 0.189 2.032     277.396     290.000       9.568    4 
+    800000      160000.00      25.818     -37.804     -11.986   3.95 0.286 0.714 0.351 2.090     234.233     290.000       7.155    4 
+    810000      162000.00      28.960     -34.786      -5.826   6.45 0.143 0.846 0.364 1.253     262.738     290.000       6.624    4 
+    820000      164000.00      24.175     -23.177       0.998   5.54 0.214 0.812 0.401 3.254     219.327     290.000       6.488    4 
+    830000      166000.00      28.240     -41.021     -12.781   4.22 0.214 0.786 0.370 0.971     256.207     290.000       6.500    4 
+    840000      168000.00      29.564     -26.563       3.001   4.73 0.071 0.750 0.318 0.959     268.223     290.000       7.721    4 
+    850000      170000.00      19.255     -32.078     -12.823   6.03 0.357 0.667 0.327 1.883     174.695     290.000       6.672    4 
+    860000      172000.00      30.215     -30.159       0.057   3.94 0.357 0.688 0.244 1.526     274.129     290.000       6.739    4 
+    870000      174000.00      35.389     -26.899       8.490   5.51 0.143 0.778 0.343 1.991     321.068     290.000       7.439    4 
+    880000      176000.00      34.003     -36.206      -2.203   6.47 0.143 0.750 0.261 1.642     308.493     290.000       7.168    4 
+    890000      178000.00      26.283     -31.338      -5.055   6.28 0.214 0.786 0.325 1.793     238.456     290.000       6.616    4 
+    900000      180000.00      30.259     -37.568      -7.310   5.21 0.286 0.600 0.186 1.807     274.524     290.000       7.223    4 
+    910000      182000.00      30.200     -19.584      10.617   6.81 0.071 0.750 0.193 2.270     273.994     310.000       8.304    4 
+    920000      184000.00      22.212     -34.698     -12.486   4.64 0.357 0.583 0.303 1.131     201.520     310.000       6.670    4 
+    930000      186000.00      22.355     -28.513      -6.158   5.50 0.214 0.700 0.286 0.903     202.820     310.000       6.909    4 
+    940000      188000.00      28.304     -25.285       3.019   5.54 0.071 0.900 0.332 1.805     256.790     310.000       7.101    4 
+    950000      190000.00      30.755     -25.932       4.824   3.88 0.214 0.500 0.235 1.888     279.027     310.000       7.534    4 
+    960000      192000.00      26.467     -20.721       5.746   4.37 0.214 0.625 0.188 1.656     240.126     310.000       8.938    4 
+    970000      194000.00      30.996     -25.315       5.681   5.11 0.143 0.800 0.200 2.766     281.213     310.000       7.026    4 
+    980000      196000.00      29.150     -20.420       8.729   6.75 0.143 0.714 0.266 1.710     264.460     310.000       7.627    4 
+    990000      198000.00      32.587     -19.113      13.474   6.32 0.143 0.750 0.216 2.721     295.648     310.000       7.569    4 
+   1000000      200000.00      33.429     -23.752       9.678   5.06 0.071 0.875 0.267 2.549     303.289     310.000       8.032    4 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB005.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB005.stat
index cb91ddf..e2b85f0 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB005.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB005.stat
@@ -1,101 +1,101 @@
          0           0.00      34.712     662.810     697.522   0.00 1.000 0.000 0.308 8.660     314.929     300.000       7.001    5 
-     10000        2000.00      24.652     -41.261     -16.610   3.10 0.357 0.583 0.330 0.983     223.651     300.000       6.765    5 
-     20000        4000.00      27.443     -25.122       2.321   6.16 0.214 0.500 0.174 2.093     248.978     300.000       8.578    5 
-     30000        6000.00      34.779     -28.645       6.134   5.32 0.214 0.700 0.232 1.598     315.531     300.000       7.698    5 
-     40000        8000.00      25.957     -28.104      -2.147   4.56 0.286 0.500 0.170 1.143     235.496     300.000       8.624    5 
-     50000       10000.00      30.860     -34.783      -3.924   2.29 0.286 0.636 0.298 2.450     279.974     300.000       7.018    5 
-     60000       12000.00      26.240     -32.911      -6.671   3.63 0.214 0.727 0.256 2.429     238.065     300.000       6.907    5 
-     70000       14000.00      20.974     -38.889     -17.915   4.19 0.286 0.636 0.306 3.636     190.291     300.000       6.792    5 
-     80000       16000.00      30.210     -24.658       5.552   3.61 0.286 0.333 0.235 1.476     274.079     300.000       7.116    5 
-     90000       18000.00      27.154     -37.251     -10.097   3.93 0.286 0.692 0.332 1.995     246.354     300.000       7.025    5 
-    100000       20000.00      25.439     -29.949      -4.510   5.14 0.214 0.625 0.290 2.489     230.792     300.000       7.486    5 
-    110000       22000.00      33.495     -26.581       6.914   4.09 0.143 0.800 0.277 0.947     303.883     310.000       7.310    5 
-    120000       24000.00      35.670     -20.605      15.065   4.22 0.214 0.700 0.364 1.846     323.616     310.000       7.678    5 
-    130000       26000.00      38.306     -27.814      10.492   5.55 0.214 0.727 0.256 1.035     347.530     310.000       6.936    5 
-    140000       28000.00      30.255     -21.077       9.178   5.89 0.214 0.700 0.245 1.749     274.488     310.000       7.048    5 
-    150000       30000.00      29.638     -19.842       9.797   7.14 0.286 0.429 0.169 1.365     268.896     310.000      10.353    5 
-    160000       32000.00      34.674      -7.989      26.686   6.92 0.071 0.750 0.182 2.249     314.582     310.000       9.879    5 
-    170000       34000.00      28.896     -29.282      -0.386   3.10 0.286 0.333 0.197 2.260     262.163     310.000       7.752    5 
-    180000       36000.00      36.503     -17.400      19.102   6.20 0.214 0.250 0.148 2.790     331.172     310.000       9.417    5 
-    190000       38000.00      27.844     -22.521       5.322   7.97 0.071 0.667 0.152 1.025     252.612     310.000      10.323    5 
-    200000       40000.00      36.194     -21.440      14.754   4.40 0.071 0.857 0.396 2.995     328.373     310.000       8.060    5 
-    210000       42000.00      28.456     -28.740      -0.284   4.82 0.143 0.800 0.359 1.383     258.168     300.000       6.810    5 
-    220000       44000.00      30.092     -36.890      -6.797   6.07 0.214 0.769 0.322 1.388     273.012     300.000       6.550    5 
-    230000       46000.00      33.766     -35.549      -1.783   4.56 0.286 0.636 0.343 2.133     306.340     300.000       7.250    5 
-    240000       48000.00      33.260     -36.319      -3.059   4.95 0.214 0.727 0.281 1.250     301.756     300.000       7.131    5 
-    250000       50000.00      32.298     -34.874      -2.576   4.26 0.143 0.750 0.256 1.839     293.025     300.000       7.864    5 
-    260000       52000.00      31.548     -36.437      -4.890   5.26 0.143 0.800 0.336 1.069     286.216     300.000       6.805    5 
-    270000       54000.00      35.273     -30.324       4.949   5.15 0.429 0.538 0.273 2.049     320.013     300.000       7.376    5 
-    280000       56000.00      25.563     -25.741      -0.178   4.45 0.357 0.643 0.224 0.987     231.920     300.000       6.924    5 
-    290000       58000.00      27.858     -31.789      -3.931   4.02 0.500 0.417 0.326 0.944     252.742     300.000       7.447    5 
-    300000       60000.00      28.858     -35.407      -6.549   5.24 0.286 0.636 0.310 1.246     261.814     300.000       7.084    5 
-    310000       62000.00      29.374     -38.271      -8.897   4.03 0.286 0.600 0.286 1.319     266.500     290.000       7.025    5 
-    320000       64000.00      24.090     -34.072      -9.982   7.05 0.214 0.625 0.188 1.598     218.557     290.000       7.861    5 
-    330000       66000.00      37.091     -20.025      17.065   5.78 0.071 0.833 0.280 1.478     336.505     290.000       7.803    5 
-    340000       68000.00      24.610     -33.946      -9.336   6.51 0.357 0.375 0.165 1.439     223.274     290.000      10.337    5 
-    350000       70000.00      31.252     -38.050      -6.798   6.88 0.214 0.750 0.303 1.118     283.537     290.000       6.854    5 
-    360000       72000.00      23.642     -40.394     -16.752   4.58 0.429 0.600 0.324 2.069     214.496     290.000       6.693    5 
-    370000       74000.00      32.721     -43.688     -10.967   5.21 0.286 0.636 0.260 2.247     296.859     290.000       7.237    5 
-    380000       76000.00      24.612     -13.309      11.303   6.72 0.071 0.857 0.260 1.094     223.292     290.000       7.471    5 
-    390000       78000.00      25.810     -41.999     -16.190   5.13 0.214 0.812 0.341 1.987     234.158     290.000       6.586    5 
-    400000       80000.00      24.075     -33.468      -9.393   5.12 0.286 0.667 0.295 2.069     218.420     290.000       6.750    5 
-    410000       82000.00      29.144     -32.980      -3.836   3.58 0.357 0.545 0.236 1.585     264.406     290.000       7.325    5 
-    420000       84000.00      28.144     -33.093      -4.949   5.63 0.071 0.889 0.242 1.164     255.337     290.000       8.123    5 
-    430000       86000.00      23.874     -36.904     -13.030   4.28 0.214 0.750 0.288 1.516     216.599     290.000       7.064    5 
-    440000       88000.00      35.218     -38.243      -3.025   5.28 0.143 0.833 0.383 2.424     319.513     290.000       6.953    5 
-    450000       90000.00      24.965     -39.027     -14.062   5.40 0.143 0.750 0.233 1.077     226.499     290.000       7.659    5 
-    460000       92000.00      25.989     -29.036      -3.047   4.01 0.357 0.375 0.352 2.817     235.785     290.000       7.537    5 
-    470000       94000.00      26.282     -36.852     -10.570   4.88 0.214 0.727 0.293 0.917     238.446     290.000       6.953    5 
-    480000       96000.00      25.243     -33.508      -8.265   5.43 0.143 0.750 0.267 1.475     229.021     290.000       7.087    5 
-    490000       98000.00      29.524     -33.383      -3.859   4.94 0.214 0.667 0.182 2.751     267.855     290.000       6.879    5 
-    500000      100000.00      35.731     -33.567       2.164   5.50 0.286 0.636 0.202 0.909     324.170     290.000       7.059    5 
-    510000      102000.00      30.921     -37.757      -6.836   5.11 0.357 0.615 0.276 1.633     280.536     290.000       7.117    5 
-    520000      104000.00      23.370     -39.470     -16.100   4.65 0.286 0.692 0.346 1.593     212.023     290.000       6.857    5 
-    530000      106000.00      30.308     -36.357      -6.050   4.32 0.357 0.545 0.326 1.308     274.966     290.000       7.384    5 
-    540000      108000.00      25.097     -29.632      -4.535   4.95 0.357 0.545 0.256 1.306     227.693     290.000       7.333    5 
-    550000      110000.00      24.037     -35.876     -11.839   5.41 0.214 0.800 0.318 2.321     218.074     290.000       6.845    5 
-    560000      112000.00      32.318     -38.033      -5.715   5.36 0.286 0.692 0.290 2.186     293.207     290.000       6.834    5 
-    570000      114000.00      33.745     -43.370      -9.625   4.91 0.214 0.786 0.273 1.909     306.153     290.000       6.691    5 
-    580000      116000.00      34.642     -22.791      11.851   4.97 0.143 0.714 0.234 1.322     314.287     290.000       7.862    5 
-    590000      118000.00      30.252     -26.983       3.269   4.64 0.286 0.692 0.353 1.328     274.465     290.000       7.180    5 
-    600000      120000.00      21.462     -30.683      -9.221   6.38 0.214 0.571 0.240 1.660     194.718     290.000       9.384    5 
-    610000      122000.00      28.622     -40.864     -12.242   2.15 0.571 0.529 0.230 1.347     259.671     280.000       6.669    5 
-    620000      124000.00      27.945     -40.101     -12.155   2.62 0.214 0.727 0.223 1.614     253.535     280.000       7.105    5 
-    630000      126000.00      31.053     -29.802       1.251   4.26 0.214 0.769 0.318 2.091     281.729     280.000       7.031    5 
-    640000      128000.00      25.308     -36.164     -10.856   4.61 0.143 0.846 0.343 1.272     229.609     280.000       6.903    5 
-    650000      130000.00      27.666     -43.043     -15.377   4.66 0.143 0.800 0.432 2.522     251.000     280.000       7.409    5 
-    660000      132000.00      20.388     -43.943     -23.555   5.61 0.214 0.750 0.364 0.943     184.968     280.000       6.591    5 
-    670000      134000.00      27.971     -34.421      -6.450   4.19 0.143 0.778 0.384 1.116     253.764     280.000       7.158    5 
-    680000      136000.00      27.229     -43.913     -16.683   4.82 0.071 0.875 0.312 1.530     247.039     280.000       7.000    5 
-    690000      138000.00      27.829     -40.819     -12.990   5.34 0.214 0.842 0.318 1.878     252.481     280.000       6.425    5 
-    700000      140000.00      28.521     -44.784     -16.263   4.15 0.214 0.625 0.341 2.989     258.756     280.000       6.905    5 
-    710000      142000.00      24.829     -42.259     -17.430   5.23 0.286 0.765 0.297 1.440     225.263     270.000       6.288    5 
-    720000      144000.00      22.889     -48.021     -25.132   4.62 0.143 0.875 0.349 1.784     207.659     270.000       6.720    5 
-    730000      146000.00      18.329     -47.147     -28.818   3.99 0.286 0.714 0.292 0.733     166.288     270.000       6.834    5 
-    740000      148000.00      28.483     -31.744      -3.262   3.46 0.000 1.000 0.210 1.556     258.408     270.000       7.138    5 
-    750000      150000.00      26.598     -41.610     -15.012   4.35 0.143 0.778 0.232 1.325     241.311     270.000       7.212    5 
-    760000      152000.00      29.059     -43.521     -14.461   4.94 0.214 0.800 0.403 2.304     263.642     270.000       6.365    5 
-    770000      154000.00      24.949     -38.373     -13.424   4.04 0.143 0.875 0.290 1.618     226.346     270.000       6.832    5 
-    780000      156000.00      26.198     -45.243     -19.044   4.46 0.214 0.750 0.220 1.934     237.686     270.000       6.796    5 
-    790000      158000.00      25.467     -42.802     -17.336   4.96 0.286 0.750 0.332 2.042     231.046     270.000       6.770    5 
-    800000      160000.00      33.439     -54.472     -21.033   4.58 0.143 0.889 0.361 1.723     303.378     270.000       6.622    5 
-    810000      162000.00      28.226     -42.864     -14.638   3.97 0.286 0.556 0.384 1.852     256.084     270.000       7.140    5 
-    820000      164000.00      27.078     -47.577     -20.499   5.77 0.143 0.818 0.298 2.761     245.668     270.000       6.586    5 
-    830000      166000.00      23.870     -39.930     -16.059   5.12 0.357 0.667 0.242 2.193     216.565     270.000       6.648    5 
-    840000      168000.00      22.352     -50.076     -27.724   4.61 0.286 0.733 0.348 1.638     202.787     270.000       6.579    5 
-    850000      170000.00      23.716     -43.666     -19.950   5.52 0.286 0.765 0.294 1.309     215.166     270.000       6.506    5 
-    860000      172000.00      30.905     -56.805     -25.900   4.28 0.286 0.733 0.318 1.199     280.382     270.000       6.592    5 
-    870000      174000.00      23.867     -45.049     -21.183   4.78 0.143 0.846 0.346 2.170     216.529     270.000       6.670    5 
-    880000      176000.00      20.745     -56.962     -36.216   4.50 0.214 0.812 0.352 1.678     188.211     270.000       6.586    5 
-    890000      178000.00      21.362     -45.877     -24.514   4.51 0.143 0.800 0.214 1.317     193.811     270.000       6.715    5 
-    900000      180000.00      24.941     -47.390     -22.449   5.10 0.286 0.692 0.308 0.958     226.276     270.000       6.816    5 
-    910000      182000.00      28.157     -42.503     -14.346   4.68 0.214 0.800 0.288 3.217     255.454     260.000       6.365    5 
-    920000      184000.00      26.470     -51.688     -25.218   3.83 0.429 0.571 0.227 1.241     240.148     260.000       6.759    5 
-    930000      186000.00      20.030     -53.238     -33.208   3.25 0.429 0.625 0.341 1.291     181.724     260.000       6.672    5 
-    940000      188000.00      30.330     -51.049     -20.720   1.80 0.500 0.462 0.269 1.695     275.167     260.000       6.830    5 
-    950000      190000.00      26.467     -50.947     -24.480   2.72 0.500 0.588 0.227 1.571     240.122     260.000       7.004    5 
-    960000      192000.00      22.060     -56.748     -34.688   2.47 0.500 0.588 0.225 1.986     200.140     260.000       6.653    5 
-    970000      194000.00      29.117     -55.502     -26.386   1.80 0.429 0.625 0.307 1.577     264.164     260.000       6.678    5 
-    980000      196000.00      23.023     -41.568     -18.545   1.88 0.429 0.538 0.378 1.578     208.880     260.000       6.710    5 
-    990000      198000.00      29.537     -51.594     -22.057   1.93 0.643 0.500 0.313 1.064     267.978     260.000       6.560    5 
-   1000000      200000.00      21.272     -50.446     -29.174   2.11 0.571 0.529 0.340 1.373     192.989     260.000       6.384    5 
+     10000        2000.00      24.738     -19.048       5.690   7.21 0.143 0.500 0.148 1.541     224.438     300.000      10.379    5 
+     20000        4000.00      27.301     -12.669      14.632   6.86 0.071 0.667 0.152 2.819     247.689     300.000      10.373    5 
+     30000        6000.00      35.187     -23.821      11.366   7.97 0.071 0.667 0.136 2.182     319.234     300.000       9.985    5 
+     40000        8000.00      30.628     -27.449       3.179   5.04 0.143 0.800 0.291 1.738     277.873     300.000       7.309    5 
+     50000       10000.00      31.634     -16.184      15.450   4.15 0.214 0.250 0.307 3.151     286.997     300.000       9.042    5 
+     60000       12000.00      28.694     -20.515       8.178   6.12 0.071 0.889 0.273 0.965     260.322     300.000       6.925    5 
+     70000       14000.00      24.663     -35.012     -10.348   3.72 0.143 0.778 0.384 1.462     223.760     300.000       7.108    5 
+     80000       16000.00      30.337     -45.819     -15.482   3.66 0.286 0.636 0.355 1.326     275.233     300.000       6.762    5 
+     90000       18000.00      25.823     -31.702      -5.879   3.35 0.214 0.500 0.273 1.800     234.284     300.000       7.450    5 
+    100000       20000.00      27.252     -27.757      -0.505   4.00 0.214 0.667 0.288 1.155     247.245     300.000       7.276    5 
+    110000       22000.00      33.399     -38.424      -5.025   3.34 0.214 0.700 0.264 1.277     303.013     300.000       6.812    5 
+    120000       24000.00      32.032     -28.886       3.145   4.49 0.214 0.769 0.276 2.580     290.609     300.000       6.567    5 
+    130000       26000.00      35.761     -30.586       5.175   4.49 0.357 0.643 0.292 1.293     324.442     300.000       6.969    5 
+    140000       28000.00      32.615     -34.417      -1.802   5.39 0.143 0.714 0.260 1.879     295.902     300.000       7.659    5 
+    150000       30000.00      32.073     -27.322       4.752   6.64 0.000 1.000 0.209 1.766     290.985     300.000       8.302    5 
+    160000       32000.00      35.372     -32.661       2.710   5.61 0.143 0.778 0.389 3.089     320.909     300.000       6.987    5 
+    170000       34000.00      28.380     -32.460      -4.080   5.25 0.286 0.333 0.265 1.117     257.477     300.000       7.053    5 
+    180000       36000.00      33.765     -18.364      15.401   7.55 0.071 0.857 0.169 2.566     306.333     300.000       9.089    5 
+    190000       38000.00      29.057     -26.860       2.196   7.59 0.143 0.600 0.164 1.157     263.619     300.000       8.720    5 
+    200000       40000.00      32.731     -29.168       3.563   4.19 0.429 0.500 0.284 1.678     296.950     300.000       7.563    5 
+    210000       42000.00      25.101     -29.037      -3.936   6.54 0.286 0.600 0.218 1.176     227.729     290.000       7.333    5 
+    220000       44000.00      31.945     -40.227      -8.282   3.85 0.357 0.444 0.293 1.620     289.822     290.000       7.682    5 
+    230000       46000.00      31.561     -34.135      -2.574   3.18 0.286 0.556 0.217 1.379     286.339     290.000       6.889    5 
+    240000       48000.00      33.089     -27.417       5.672   3.31 0.214 0.667 0.328 1.002     300.201     290.000       7.146    5 
+    250000       50000.00      26.499     -48.359     -21.860   2.22 0.643 0.438 0.330 2.342     240.413     290.000       6.365    5 
+    260000       52000.00      29.746     -37.141      -7.395   3.52 0.286 0.692 0.332 1.078     269.869     290.000       7.028    5 
+    270000       54000.00      30.287     -30.917      -0.630   3.82 0.357 0.615 0.255 3.007     274.781     290.000       6.909    5 
+    280000       56000.00      26.946     -35.700      -8.754   3.59 0.286 0.600 0.300 2.361     244.469     290.000       7.188    5 
+    290000       58000.00      29.615     -43.593     -13.979   3.00 0.429 0.455 0.322 0.893     268.678     290.000       6.645    5 
+    300000       60000.00      30.651     -47.559     -16.908   2.71 0.286 0.556 0.278 2.581     278.083     290.000       6.958    5 
+    310000       62000.00      28.481     -41.394     -12.913   2.71 0.429 0.647 0.329 1.778     258.394     290.000       6.496    5 
+    320000       64000.00      27.672     -34.524      -6.851   6.85 0.071 0.909 0.285 1.038     251.059     290.000       6.973    5 
+    330000       66000.00      31.947     -31.303       0.644   3.93 0.357 0.722 0.384 1.277     289.841     290.000       6.836    5 
+    340000       68000.00      23.028     -14.836       8.191   7.19 0.286 0.333 0.174 1.661     208.918     290.000      11.075    5 
+    350000       70000.00      28.021     -36.817      -8.796   4.42 0.143 0.875 0.338 2.872     254.221     290.000       6.540    5 
+    360000       72000.00      23.634     -28.036      -4.402   6.30 0.214 0.750 0.292 3.208     214.421     290.000       6.538    5 
+    370000       74000.00      36.190     -41.071      -4.881   3.92 0.214 0.750 0.261 2.906     328.337     290.000       6.831    5 
+    380000       76000.00      23.157     -43.677     -20.520   4.23 0.143 0.867 0.358 1.775     210.094     290.000       6.712    5 
+    390000       78000.00      26.875     -34.307      -7.432   5.04 0.357 0.583 0.212 1.365     243.823     290.000       7.806    5 
+    400000       80000.00      30.933     -40.380      -9.447   6.43 0.357 0.667 0.333 1.144     280.642     290.000       6.963    5 
+    410000       82000.00      27.189     -42.646     -15.457   4.15 0.429 0.455 0.256 1.618     246.669     290.000       7.205    5 
+    420000       84000.00      23.125     -29.319      -6.194   5.61 0.214 0.727 0.322 1.059     209.799     290.000       7.145    5 
+    430000       86000.00      25.755     -31.799      -6.044   4.77 0.143 0.778 0.333 0.996     233.658     290.000       7.044    5 
+    440000       88000.00      33.097     -30.989       2.108   5.83 0.214 0.750 0.295 1.712     300.271     290.000       7.096    5 
+    450000       90000.00      25.588     -37.316     -11.727   5.41 0.500 0.500 0.276 2.531     232.151     290.000       7.307    5 
+    460000       92000.00      33.320     -37.400      -4.080   5.04 0.286 0.667 0.360 1.441     302.298     290.000       6.972    5 
+    470000       94000.00      22.665     -39.196     -16.531   4.28 0.071 0.833 0.182 1.153     205.628     290.000       7.575    5 
+    480000       96000.00      25.488     -39.175     -13.688   5.85 0.357 0.545 0.289 1.443     231.239     290.000       7.327    5 
+    490000       98000.00      28.502     -34.306      -5.804   2.70 0.429 0.500 0.341 1.415     258.584     290.000       6.566    5 
+    500000      100000.00      31.986     -35.707      -3.720   3.34 0.357 0.583 0.345 1.830     290.195     290.000       7.119    5 
+    510000      102000.00      31.361     -49.764     -18.404   3.71 0.286 0.750 0.364 1.251     284.522     280.000       6.594    5 
+    520000      104000.00      22.313     -46.811     -24.499   3.58 0.429 0.667 0.316 1.308     202.431     280.000       6.283    5 
+    530000      106000.00      29.345     -45.193     -15.848   3.45 0.357 0.615 0.353 0.858     266.230     280.000       6.901    5 
+    540000      108000.00      26.080     -37.838     -11.758   3.32 0.214 0.700 0.273 1.003     236.610     280.000       8.152    5 
+    550000      110000.00      23.344     -28.603      -5.258   2.50 0.429 0.400 0.227 2.092     211.791     280.000       7.231    5 
+    560000      112000.00      33.565     -47.752     -14.186   6.35 0.214 0.727 0.227 0.926     304.523     280.000       7.501    5 
+    570000      114000.00      29.440     -44.500     -15.060   3.48 0.500 0.667 0.331 1.699     267.099     280.000       6.439    5 
+    580000      116000.00      31.705     -43.790     -12.085   2.89 0.500 0.562 0.213 1.421     287.647     280.000       6.825    5 
+    590000      118000.00      33.011     -36.407      -3.396   2.87 0.286 0.667 0.250 1.514     299.496     280.000       7.589    5 
+    600000      120000.00      25.638     -45.504     -19.865   3.30 0.214 0.727 0.306 1.187     232.605     280.000       6.951    5 
+    610000      122000.00      31.178     -39.756      -8.577   4.09 0.214 0.750 0.360 2.096     282.864     280.000       6.735    5 
+    620000      124000.00      27.764     -34.840      -7.076   6.48 0.286 0.692 0.259 2.033     251.887     280.000       6.932    5 
+    630000      126000.00      36.597     -43.304      -6.707   4.85 0.286 0.636 0.351 1.957     332.024     280.000       6.732    5 
+    640000      128000.00      27.595     -43.935     -16.340   4.93 0.214 0.625 0.193 1.174     250.358     280.000       7.397    5 
+    650000      130000.00      27.646     -49.790     -22.144   4.19 0.286 0.714 0.247 1.512     250.817     280.000       7.314    5 
+    660000      132000.00      18.381     -37.924     -19.542   4.97 0.071 0.917 0.371 1.582     166.764     280.000       7.746    5 
+    670000      134000.00      24.218     -36.730     -12.512   3.92 0.214 0.727 0.343 0.893     219.722     280.000       7.373    5 
+    680000      136000.00      31.017     -28.783       2.234   5.99 0.214 0.750 0.269 2.735     281.402     280.000       6.776    5 
+    690000      138000.00      30.811     -40.578      -9.767   4.15 0.357 0.583 0.223 1.634     279.531     280.000       7.591    5 
+    700000      140000.00      26.880     -38.980     -12.100   6.05 0.357 0.545 0.215 1.316     243.870     280.000       6.879    5 
+    710000      142000.00      28.629     -40.415     -11.785   4.82 0.286 0.636 0.285 2.705     259.740     280.000       6.767    5 
+    720000      144000.00      24.978     -38.418     -13.439   4.85 0.286 0.500 0.347 1.266     226.618     280.000       6.940    5 
+    730000      146000.00      19.285     -32.856     -13.571   7.02 0.143 0.714 0.182 1.351     174.964     280.000       8.001    5 
+    740000      148000.00      29.760     -32.397      -2.636   4.03 0.286 0.692 0.203 1.996     270.003     280.000       7.306    5 
+    750000      150000.00      28.869     -28.719       0.150   6.44 0.071 0.750 0.182 1.001     261.915     280.000       9.317    5 
+    760000      152000.00      27.704     -45.879     -18.175   5.55 0.286 0.733 0.270 1.644     251.341     280.000       6.707    5 
+    770000      154000.00      22.880     -33.810     -10.929   4.29 0.214 0.625 0.244 1.176     207.583     280.000       7.645    5 
+    780000      156000.00      26.412     -30.012      -3.600   3.72 0.143 0.818 0.360 1.355     239.622     280.000       7.129    5 
+    790000      158000.00      24.619     -42.378     -17.758   4.40 0.214 0.700 0.286 2.579     223.359     280.000       7.184    5 
+    800000      160000.00      31.379     -39.081      -7.702   4.16 0.143 0.800 0.259 1.729     284.682     280.000       7.164    5 
+    810000      162000.00      24.724     -28.201      -3.478   3.64 0.143 0.800 0.291 2.041     224.305     280.000       7.374    5 
+    820000      164000.00      28.788     -38.201      -9.413   4.88 0.286 0.692 0.241 2.714     261.184     280.000       6.962    5 
+    830000      166000.00      25.039     -29.501      -4.462   4.96 0.286 0.429 0.182 1.338     227.167     280.000       7.606    5 
+    840000      168000.00      24.633     -35.439     -10.806   4.95 0.214 0.571 0.253 2.357     223.483     280.000       7.602    5 
+    850000      170000.00      26.394     -41.080     -14.686   4.98 0.214 0.667 0.207 1.484     239.462     280.000       7.252    5 
+    860000      172000.00      27.126     -37.411     -10.285   5.02 0.214 0.700 0.214 1.077     246.105     280.000       6.957    5 
+    870000      174000.00      24.095     -35.775     -11.681   5.26 0.286 0.600 0.291 1.759     218.598     280.000       7.068    5 
+    880000      176000.00      24.442     -37.859     -13.417   4.83 0.286 0.667 0.341 1.310     221.751     280.000       6.604    5 
+    890000      178000.00      26.358     -41.835     -15.477   4.87 0.286 0.600 0.232 1.432     239.134     280.000       7.078    5 
+    900000      180000.00      26.436     -34.319      -7.883   4.21 0.286 0.500 0.188 1.020     239.840     280.000       7.413    5 
+    910000      182000.00      29.016     -32.506      -3.490   3.45 0.357 0.444 0.162 3.251     263.246     270.000       7.925    5 
+    920000      184000.00      26.345     -39.666     -13.321   2.52 0.214 0.769 0.262 0.860     239.017     270.000       6.933    5 
+    930000      186000.00      20.160     -54.865     -34.705   2.95 0.429 0.600 0.282 1.097     182.899     270.000       6.860    5 
+    940000      188000.00      28.195     -49.931     -21.736   2.53 0.214 0.769 0.273 2.456     255.800     270.000       6.914    5 
+    950000      190000.00      29.954     -50.062     -20.109   2.58 0.429 0.571 0.256 1.059     271.754     270.000       7.097    5 
+    960000      192000.00      24.075     -42.072     -17.997   2.97 0.214 0.812 0.327 3.107     218.423     270.000       6.785    5 
+    970000      194000.00      28.589     -46.678     -18.089   2.64 0.500 0.533 0.282 2.204     259.370     270.000       7.143    5 
+    980000      196000.00      26.115     -50.950     -24.835   3.04 0.643 0.471 0.254 2.103     236.933     270.000       7.351    5 
+    990000      198000.00      27.222     -54.002     -26.780   2.79 0.214 0.786 0.253 0.967     246.968     270.000       6.612    5 
+   1000000      200000.00      29.023     -51.868     -22.845   3.12 0.214 0.750 0.258 1.187     263.314     270.000       6.955    5 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB006.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB006.stat
index d3718e9..dab8ac6 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB006.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB006.stat
@@ -1,101 +1,101 @@
          0           0.00      36.198     664.042     700.240   0.00 1.000 0.000 0.308 8.660     328.411     310.000       7.001    6 
-     10000        2000.00      26.410     -28.802      -2.392   4.09 0.214 0.571 0.188 1.521     239.606     310.000       7.609    6 
-     20000        4000.00      29.327     -28.053       1.275   4.54 0.143 0.778 0.313 1.414     266.074     310.000       7.281    6 
-     30000        6000.00      26.605     -35.059      -8.453   3.80 0.286 0.733 0.385 2.243     241.378     310.000       6.499    6 
-     40000        8000.00      30.669     -25.639       5.031   3.99 0.214 0.727 0.347 1.610     278.247     310.000       7.078    6 
-     50000       10000.00      24.159     -37.239     -13.081   3.45 0.214 0.786 0.344 1.793     219.179     310.000       6.951    6 
-     60000       12000.00      37.663     -18.016      19.647   4.51 0.143 0.667 0.424 2.023     341.700     310.000       7.658    6 
-     70000       14000.00      31.866     -32.134      -0.268   4.16 0.214 0.812 0.429 2.944     289.107     310.000       7.294    6 
-     80000       16000.00      38.631     -23.099      15.532   5.56 0.143 0.333 0.152 1.381     350.481     310.000       8.710    6 
-     90000       18000.00      32.672     -28.778       3.894   4.81 0.214 0.500 0.174 1.372     296.417     310.000       7.851    6 
-    100000       20000.00      28.787     -24.185       4.602   4.25 0.214 0.571 0.182 2.144     261.170     310.000       7.442    6 
-    110000       22000.00      27.715     -24.043       3.672   5.72 0.143 0.778 0.278 1.701     251.447     300.000       6.984    6 
-    120000       24000.00      31.271     -28.077       3.195   4.35 0.143 0.800 0.291 2.133     283.710     300.000       7.187    6 
-    130000       26000.00      26.784     -29.789      -3.005   6.57 0.357 0.500 0.218 1.429     242.998     300.000       9.542    6 
-    140000       28000.00      30.594     -17.188      13.405   9.45 0.286 0.333 0.174 1.190     277.560     300.000      11.098    6 
-    150000       30000.00      26.959     -24.641       2.318   7.84 0.214 0.500 0.152 1.484     244.591     300.000      12.216    6 
-    160000       32000.00      28.967     -13.610      15.357   4.45 0.000 1.000 0.318 2.143     262.801     300.000       8.466    6 
-    170000       34000.00      24.390     -26.774      -2.385   5.52 0.143 0.778 0.313 0.893     221.275     300.000       6.928    6 
-    180000       36000.00      21.216     -35.652     -14.437   5.73 0.357 0.722 0.328 1.191     192.481     300.000       6.848    6 
-    190000       38000.00      26.957     -25.870       1.087   3.81 0.071 0.900 0.386 1.598     244.568     300.000       6.964    6 
-    200000       40000.00      30.267     -26.187       4.080   7.16 0.000 1.000 0.239 1.432     274.602     300.000       7.631    6 
-    210000       42000.00      25.218     -37.084     -11.866   3.67 0.357 0.583 0.288 2.076     228.792     290.000       7.216    6 
-    220000       44000.00      27.313     -31.386      -4.073   4.39 0.214 0.750 0.292 2.273     247.796     290.000       6.962    6 
-    230000       46000.00      27.975     -43.104     -15.128   4.69 0.143 0.875 0.358 1.492     253.807     290.000       6.894    6 
-    240000       48000.00      29.053     -31.523      -2.471   3.64 0.286 0.714 0.328 1.365     263.580     290.000       6.948    6 
-    250000       50000.00      30.690     -36.417      -5.727   4.45 0.286 0.556 0.253 1.876     278.437     290.000       7.346    6 
-    260000       52000.00      25.154     -30.585      -5.431   4.83 0.357 0.500 0.291 1.725     228.213     290.000       7.359    6 
-    270000       54000.00      29.341     -39.482     -10.140   6.68 0.357 0.615 0.210 1.359     266.199     290.000       7.204    6 
-    280000       56000.00      32.204     -41.771      -9.568   4.65 0.143 0.778 0.354 1.084     292.167     290.000       7.561    6 
-    290000       58000.00      32.985     -32.070       0.916   4.13 0.286 0.600 0.291 1.371     299.259     290.000       7.799    6 
-    300000       60000.00      21.175     -36.092     -14.917   2.83 0.143 0.818 0.231 1.192     192.112     290.000       7.259    6 
-    310000       62000.00      33.814     -35.738      -1.924   3.02 0.571 0.467 0.388 2.246     306.776     300.000       6.901    6 
-    320000       64000.00      25.395     -24.128       1.266   2.28 0.214 0.571 0.182 2.477     230.392     300.000       7.707    6 
-    330000       66000.00      27.569     -33.484      -5.915   5.26 0.214 0.571 0.208 1.422     250.118     300.000       9.041    6 
-    340000       68000.00      32.619     -32.563       0.056   7.43 0.214 0.625 0.210 1.441     295.937     300.000       7.703    6 
-    350000       70000.00      34.860     -34.801       0.059   6.90 0.143 0.778 0.212 0.954     316.266     300.000       7.580    6 
-    360000       72000.00      27.493     -22.943       4.550   4.46 0.214 0.700 0.209 2.068     249.435     300.000       7.807    6 
-    370000       74000.00      27.760     -30.341      -2.582   4.96 0.143 0.600 0.136 2.032     251.850     300.000       8.881    6 
-    380000       76000.00      31.481     -16.477      15.004   4.47 0.286 0.556 0.298 3.076     285.613     300.000       8.195    6 
-    390000       78000.00      24.280     -26.910      -2.630   7.30 0.143 0.600 0.200 1.284     220.279     300.000       8.024    6 
-    400000       80000.00      23.972     -26.445      -2.473   4.38 0.357 0.545 0.252 1.226     217.486     300.000       7.495    6 
-    410000       82000.00      27.237     -30.292      -3.056   5.37 0.214 0.571 0.234 1.221     247.105     300.000       7.482    6 
-    420000       84000.00      24.648     -20.137       4.511   6.66 0.143 0.818 0.314 2.367     223.615     300.000       7.175    6 
-    430000       86000.00      27.620     -38.433     -10.813   3.07 0.286 0.667 0.386 1.267     250.584     300.000       6.798    6 
-    440000       88000.00      28.843     -28.917      -0.073   5.20 0.214 0.667 0.192 1.941     261.682     300.000       8.791    6 
-    450000       90000.00      28.267     -39.808     -11.541   3.78 0.214 0.625 0.324 1.473     256.452     300.000       7.020    6 
-    460000       92000.00      27.187     -23.502       3.685   5.64 0.071 0.800 0.191 1.441     246.653     300.000       9.644    6 
-    470000       94000.00      31.477     -20.980      10.496   5.62 0.071 0.833 0.182 1.400     285.573     300.000       8.462    6 
-    480000       96000.00      27.857     -26.528       1.328   4.15 0.000 1.000 0.306 1.090     252.730     300.000       6.991    6 
-    490000       98000.00      26.239     -28.849      -2.610   3.98 0.214 0.667 0.222 2.314     238.055     300.000       7.664    6 
-    500000      100000.00      35.703      -5.392      30.311   6.94 0.286 0.636 0.182 1.295     323.915     300.000       7.505    6 
-    510000      102000.00      37.124     -17.669      19.455   4.56 0.071 0.750 0.364 2.871     336.809     340.000       8.234    6 
-    520000      104000.00      26.151     -16.078      10.073   4.81 0.143 0.600 0.218 3.358     237.253     340.000       8.260    6 
-    530000      106000.00      33.134       3.138      36.272   5.77 0.071 0.000 0.136 1.515     300.613     340.000      10.855    6 
-    540000      108000.00      36.090      -9.614      26.476   3.73 0.143 0.600 0.336 1.602     327.432     340.000       7.674    6 
-    550000      110000.00      35.906       3.252      39.158   9.41 0.071 0.500 0.182 1.910     325.760     340.000      13.064    6 
-    560000      112000.00      40.224     -10.944      29.280   5.65 0.143 0.667 0.182 2.126     364.935     340.000       7.788    6 
-    570000      114000.00      48.747      -8.808      39.940   3.34 0.143 0.333 0.227 1.224     442.259     340.000       8.536    6 
-    580000      116000.00      35.441     -22.740      12.701   3.35 0.286 0.200 0.318 1.955     321.542     340.000       7.548    6 
-    590000      118000.00      34.136     -20.352      13.784   4.51 0.214 0.625 0.409 1.831     309.700     340.000       7.531    6 
-    600000      120000.00      41.950      -5.236      36.714   7.35 0.000 1.000 0.136 1.545     380.591     340.000      10.332    6 
-    610000      122000.00      44.296       1.957      46.253   6.46 0.071 0.000 0.182 2.230     401.873     360.000       9.576    6 
-    620000      124000.00      35.840      -7.935      27.905   8.12 0.000   NaN   NaN 1.461     325.155     360.000      11.953    6 
-    630000      126000.00      28.056       1.668      29.724   7.23 0.071 0.500 0.136 2.637     254.542     360.000      12.132    6 
-    640000      128000.00      27.543      -6.779      20.764   5.44 0.071 0.750 0.307 1.652     249.885     360.000       7.669    6 
-    650000      130000.00      40.294       4.080      44.374   5.79 0.071 0.667 0.485 1.480     365.568     360.000       7.697    6 
-    660000      132000.00      46.614      -4.034      42.580   5.22 0.000 1.000 0.318 2.080     422.905     360.000       8.129    6 
-    670000      134000.00      31.727      -9.108      22.619   5.86 0.143 0.600 0.364 3.165     287.848     360.000       8.694    6 
-    680000      136000.00      26.452       2.197      28.649   6.97 0.143 0.500 0.216 1.594     239.990     360.000       9.769    6 
-    690000      138000.00      46.698      -2.357      44.341   5.20 0.071 0.500 0.159 3.455     423.669     360.000       9.311    6 
-    700000      140000.00      38.763     -21.505      17.258   5.29 0.143 0.667 0.402 1.789     351.678     360.000       7.934    6 
-    710000      142000.00      29.107      -1.801      27.306   3.94 0.071 0.800 0.182 1.800     264.069     350.000       7.994    6 
-    720000      144000.00      26.608      -1.863      24.745   6.99 0.071 0.750 0.227 1.804     241.399     350.000      10.332    6 
-    730000      146000.00      31.549      -7.793      23.757   4.19 0.071 0.667 0.379 1.597     286.233     350.000       8.535    6 
-    740000      148000.00      28.203      -2.319      25.884   8.10 0.071 0.000 0.182 1.538     255.874     350.000       9.252    6 
-    750000      150000.00      36.716     -10.194      26.522   5.03 0.071 0.875 0.330 1.326     333.109     350.000       7.468    6 
-    760000      152000.00      35.300      -9.169      26.131   5.25 0.143 0.333 0.152 1.766     320.261     350.000       9.856    6 
-    770000      154000.00      34.494     -20.209      14.285   6.15 0.143 0.714 0.429 1.744     312.943     350.000       7.228    6 
-    780000      156000.00      43.546     -13.167      30.379   6.68 0.143 0.500 0.159 0.891     395.075     350.000       9.431    6 
-    790000      158000.00      35.599     -10.849      24.750   7.02 0.071 0.750 0.216 1.531     322.969     350.000      10.782    6 
-    800000      160000.00      37.320     -10.376      26.944   4.40 0.071 0.667 0.409 0.909     338.583     350.000       7.678    6 
-    810000      162000.00      26.829     -12.088      14.741   5.66 0.143 0.600 0.145 1.732     243.402     340.000       7.532    6 
-    820000      164000.00      31.754      10.429      42.183   8.38 0.000   NaN   NaN 3.728     288.090     340.000      11.633    6 
-    830000      166000.00      38.827      -3.320      35.507   7.27 0.143 0.000 0.159 2.081     352.254     340.000      11.923    6 
-    840000      168000.00      31.936     -13.673      18.263   6.18 0.071 0.750 0.216 1.960     289.736     340.000       8.814    6 
-    850000      170000.00      30.991     -16.689      14.302   4.97 0.143 0.714 0.370 1.638     281.170     340.000       8.821    6 
-    860000      172000.00      31.656      -3.780      27.876   5.62 0.000 1.000 0.182 2.442     287.202     340.000       8.114    6 
-    870000      174000.00      34.611     -22.341      12.270   5.30 0.071 0.875 0.324 1.353     314.008     340.000       7.564    6 
-    880000      176000.00      32.387     -22.912       9.475   3.67 0.214 0.625 0.307 1.175     293.832     340.000       7.566    6 
-    890000      178000.00      34.390      -2.388      32.002   5.64 0.071 0.667 0.439 0.815     312.003     340.000       7.601    6 
-    900000      180000.00      33.774     -13.675      20.099   3.82 0.214 0.500 0.265 2.335     306.415     340.000       8.125    6 
-    910000      182000.00      41.033     -25.746      15.287   3.89 0.214 0.700 0.364 1.689     372.271     330.000       7.392    6 
-    920000      184000.00      34.974      -2.421      32.552   8.51 0.143 0.500 0.148 1.307     317.299     330.000      10.627    6 
-    930000      186000.00      34.287     -27.740       6.546   4.96 0.357 0.615 0.269 1.206     311.065     330.000       6.624    6 
-    940000      188000.00      29.901     -23.158       6.743   5.59 0.214 0.571 0.286 1.765     271.282     330.000       7.231    6 
-    950000      190000.00      36.284     -21.933      14.351   6.68 0.000 1.000 0.182 2.741     329.186     330.000       7.844    6 
-    960000      192000.00      35.338     -25.823       9.515   4.10 0.214 0.727 0.421 1.328     320.601     330.000       7.645    6 
-    970000      194000.00      36.206      -7.928      28.278   5.58 0.071 0.800 0.173 2.597     328.483     330.000       9.543    6 
-    980000      196000.00      30.026     -30.878      -0.852   4.36 0.214 0.500 0.212 1.337     272.410     330.000       8.104    6 
-    990000      198000.00      32.011     -15.265      16.746   4.87 0.143 0.714 0.377 2.423     290.421     330.000       8.576    6 
-   1000000      200000.00      37.748     -24.069      13.679   7.26 0.071 0.833 0.280 2.217     342.471     330.000       8.124    6 
+     10000        2000.00      27.089     -32.733      -5.644   2.80 0.429 0.400 0.323 1.946     245.765     310.000       6.878    6 
+     20000        4000.00      32.202     -21.629      10.572   5.28 0.214 0.625 0.369 2.054     292.149     310.000       6.894    6 
+     30000        6000.00      23.623     -18.934       4.689   7.73 0.000 1.000 0.182 0.903     214.318     310.000      10.186    6 
+     40000        8000.00      26.180     -22.688       3.492   3.63 0.286 0.600 0.259 1.142     237.518     310.000       6.889    6 
+     50000       10000.00      22.082     -22.199      -0.117   4.42 0.214 0.400 0.200 1.794     200.336     310.000       8.189    6 
+     60000       12000.00      35.157     -26.960       8.198   5.33 0.214 0.727 0.401 1.434     318.967     310.000       7.114    6 
+     70000       14000.00      30.141     -19.523      10.618   6.20 0.071 0.750 0.193 2.646     273.452     310.000       7.526    6 
+     80000       16000.00      33.140     -26.247       6.893   5.15 0.214 0.625 0.386 1.311     300.663     310.000       7.676    6 
+     90000       18000.00      27.102     -21.530       5.571   4.93 0.143 0.714 0.279 1.592     245.880     310.000       7.471    6 
+    100000       20000.00      34.753     -17.673      17.080   4.23 0.000 1.000 0.485 0.871     315.294     310.000       7.945    6 
+    110000       22000.00      31.755      -0.828      30.928   3.94 0.143 0.714 0.409 3.034     288.101     330.000       8.306    6 
+    120000       24000.00      31.241      -4.547      26.695   5.02 0.214 0.400 0.164 1.386     283.439     330.000       9.213    6 
+    130000       26000.00      29.400     -11.199      18.201   5.53 0.214 0.250 0.170 1.803     266.734     330.000       9.639    6 
+    140000       28000.00      32.396     -12.053      20.344   5.81 0.214 0.625 0.216 1.890     293.916     330.000       7.169    6 
+    150000       30000.00      28.347     -13.854      14.493   5.16 0.357 0.444 0.359 1.807     257.180     330.000       7.878    6 
+    160000       32000.00      31.115     -10.772      20.343   5.30 0.071 0.667 0.182 3.060     282.292     330.000       7.442    6 
+    170000       34000.00      33.234     -19.518      13.716   7.52 0.214 0.500 0.159 2.219     301.520     330.000       9.559    6 
+    180000       36000.00      27.905     -25.808       2.097   5.09 0.286 0.636 0.318 1.289     253.167     330.000       7.446    6 
+    190000       38000.00      25.739     -25.768      -0.029   5.40 0.214 0.700 0.291 1.279     233.516     330.000       6.787    6 
+    200000       40000.00      32.160      -5.983      26.178   4.90 0.000 1.000 0.182 1.366     291.775     330.000       8.283    6 
+    210000       42000.00      27.329      -3.775      23.553   7.29 0.143 0.333 0.136 2.844     247.942     320.000      11.181    6 
+    220000       44000.00      36.704     -31.819       4.885   5.59 0.143 0.818 0.380 1.506     332.998     320.000       7.203    6 
+    230000       46000.00      28.724     -15.882      12.842   4.65 0.286 0.429 0.227 1.730     260.601     320.000       7.643    6 
+    240000       48000.00      37.493     -32.512       4.981   5.39 0.071 0.909 0.351 2.231     340.154     320.000       6.678    6 
+    250000       50000.00      35.212     -14.660      20.553   4.56 0.000 1.000 0.345 1.948     319.465     320.000       7.845    6 
+    260000       52000.00      29.636     -18.855      10.780   5.56 0.214 0.625 0.170 1.906     268.869     320.000       9.065    6 
+    270000       54000.00      30.908     -12.799      18.109   4.13 0.000 1.000 0.159 1.476     280.413     320.000       7.992    6 
+    280000       56000.00      28.592     -26.776       1.816   4.89 0.071 0.857 0.253 1.704     259.403     320.000       7.624    6 
+    290000       58000.00      34.140     -17.616      16.524   5.20 0.071 0.800 0.218 2.375     309.739     320.000       8.038    6 
+    300000       60000.00      26.064     -18.581       7.483   3.64 0.143 0.600 0.345 1.675     236.466     320.000       7.544    6 
+    310000       62000.00      35.702     -23.615      12.086   4.77 0.143 0.800 0.386 1.356     323.904     310.000       6.926    6 
+    320000       64000.00      27.574     -20.856       6.718   6.56 0.071 0.667 0.197 2.531     250.169     310.000       9.501    6 
+    330000       66000.00      25.555     -28.752      -3.197   4.31 0.071 0.857 0.338 1.277     231.848     310.000       8.015    6 
+    340000       68000.00      34.709     -28.182       6.526   4.55 0.286 0.429 0.292 1.570     314.896     310.000       7.586    6 
+    350000       70000.00      38.093     -28.782       9.311   3.86 0.143 0.750 0.278 1.428     345.602     310.000       7.023    6 
+    360000       72000.00      32.239     -25.171       7.068   6.57 0.143 0.714 0.234 2.383     292.490     310.000       7.175    6 
+    370000       74000.00      36.248     -21.711      14.537   4.17 0.357 0.500 0.259 2.141     328.862     310.000       8.542    6 
+    380000       76000.00      32.695     -30.410       2.285   3.91 0.143 0.778 0.313 4.187     296.627     310.000       7.286    6 
+    390000       78000.00      28.078     -23.083       4.995   4.66 0.214 0.250 0.273 1.040     254.741     310.000       7.799    6 
+    400000       80000.00      28.029     -25.319       2.710   4.56 0.214 0.571 0.227 1.831     254.294     310.000       7.504    6 
+    410000       82000.00      28.478     -31.001      -2.523   4.63 0.286 0.750 0.412 1.585     258.364     300.000       6.574    6 
+    420000       84000.00      26.597     -23.714       2.883   6.99 0.214 0.500 0.174 1.687     241.305     300.000       9.435    6 
+    430000       86000.00      24.830     -36.787     -11.956   6.09 0.071 0.750 0.182 1.695     225.274     300.000       7.669    6 
+    440000       88000.00      26.381     -13.716      12.665   4.23 0.143 0.714 0.201 2.812     239.340     300.000       8.037    6 
+    450000       90000.00      32.469     -40.742      -8.273   4.05 0.214 0.625 0.233 0.885     294.576     300.000       7.006    6 
+    460000       92000.00      24.919     -36.477     -11.558   2.95 0.214 0.727 0.339 1.646     226.078     300.000       6.737    6 
+    470000       94000.00      30.718     -15.774      14.944   5.97 0.143 0.500 0.159 1.514     278.691     300.000       8.899    6 
+    480000       96000.00      28.857     -23.079       5.777   4.95 0.143 0.778 0.343 1.726     261.803     300.000       7.234    6 
+    490000       98000.00      26.999     -36.045      -9.046   5.81 0.143 0.714 0.279 1.097     244.951     300.000       6.986    6 
+    500000      100000.00      38.898     -34.618       4.279   6.15 0.143 0.750 0.369 1.883     352.899     300.000       6.832    6 
+    510000      102000.00      31.067     -28.926       2.141   3.68 0.214 0.625 0.199 1.912     281.855     300.000       7.404    6 
+    520000      104000.00      26.379     -37.318     -10.939   4.80 0.143 0.833 0.364 1.748     239.324     300.000       7.308    6 
+    530000      106000.00      33.311     -28.362       4.949   4.94 0.143 0.500 0.307 1.342     302.216     300.000       7.667    6 
+    540000      108000.00      33.298     -33.922      -0.624   6.48 0.286 0.429 0.149 2.142     302.097     300.000      10.638    6 
+    550000      110000.00      31.151     -34.907      -3.756   4.40 0.214 0.700 0.350 2.401     282.621     300.000       7.084    6 
+    560000      112000.00      35.027     -33.821       1.206   5.67 0.214 0.667 0.278 2.089     317.781     300.000       7.362    6 
+    570000      114000.00      37.278     -26.951      10.327   1.95 0.571 0.429 0.370 2.482     338.209     300.000       6.754    6 
+    580000      116000.00      30.305     -36.738      -6.433   3.15 0.571 0.500 0.312 2.109     274.938     300.000       6.828    6 
+    590000      118000.00      30.901     -40.626      -9.725   2.43 0.571 0.467 0.312 0.983     280.349     300.000       6.806    6 
+    600000      120000.00      33.506     -31.098       2.407   4.13 0.214 0.667 0.348 1.927     303.979     300.000       7.306    6 
+    610000      122000.00      29.808     -32.414      -2.606   2.14 0.357 0.286 0.370 3.531     270.437     290.000       6.861    6 
+    620000      124000.00      29.476     -36.515      -7.039   6.45 0.286 0.636 0.190 1.883     267.420     290.000       7.877    6 
+    630000      126000.00      23.953     -37.334     -13.381   3.50 0.214 0.727 0.285 1.115     217.311     290.000       6.832    6 
+    640000      128000.00      24.490     -30.835      -6.345   4.73 0.143 0.750 0.278 1.212     222.190     290.000       7.088    6 
+    650000      130000.00      33.317     -34.897      -1.579   5.29 0.286 0.667 0.345 1.923     302.273     290.000       6.751    6 
+    660000      132000.00      42.819     -36.371       6.448   4.81 0.214 0.700 0.350 2.144     388.476     290.000       6.854    6 
+    670000      134000.00      23.138     -26.110      -2.972   7.28 0.286 0.556 0.182 1.842     209.923     290.000       9.347    6 
+    680000      136000.00      25.478     -36.924     -11.446   2.94 0.214 0.700 0.305 2.162     231.149     290.000       7.466    6 
+    690000      138000.00      43.802     -37.771       6.031   2.45 0.286 0.667 0.220 0.874     397.394     290.000       6.683    6 
+    700000      140000.00      26.503     -39.544     -13.041   3.66 0.214 0.727 0.314 2.483     240.445     290.000       7.135    6 
+    710000      142000.00      26.680     -31.453      -4.773   4.97 0.357 0.643 0.221 1.769     242.056     320.000       7.020    6 
+    720000      144000.00      28.612     -36.049      -7.437   4.56 0.286 0.636 0.384 2.636     259.581     320.000       6.840    6 
+    730000      146000.00      26.134     -14.196      11.939   3.93 0.214 0.769 0.367 1.804     237.105     320.000       7.173    6 
+    740000      148000.00      28.509     -28.738      -0.229   4.14 0.143 0.778 0.258 1.251     258.647     320.000       7.060    6 
+    750000      150000.00      36.944     -29.346       7.598   3.70 0.357 0.500 0.241 0.580     335.176     320.000       7.037    6 
+    760000      152000.00      37.954     -25.360      12.595   3.15 0.214 0.727 0.434 3.355     344.341     320.000       7.549    6 
+    770000      154000.00      35.807     -35.251       0.556   4.76 0.214 0.667 0.293 2.398     324.858     320.000       7.382    6 
+    780000      156000.00      31.195     -19.573      11.623   5.38 0.071 0.800 0.227 1.318     283.019     320.000       8.963    6 
+    790000      158000.00      32.901      -8.304      24.597   5.03 0.143 0.600 0.164 1.956     298.498     320.000       8.990    6 
+    800000      160000.00      35.957     -31.182       4.775   5.71 0.500 0.462 0.318 1.321     326.220     320.000       6.844    6 
+    810000      162000.00      25.923     -24.882       1.041   4.94 0.214 0.667 0.364 1.026     235.191     310.000       7.167    6 
+    820000      164000.00      28.082     -39.086     -11.004   4.35 0.357 0.500 0.195 1.844     254.771     310.000       6.870    6 
+    830000      166000.00      37.141     -34.601       2.541   5.46 0.214 0.700 0.241 1.474     336.963     310.000       7.592    6 
+    840000      168000.00      30.604     -36.243      -5.639   3.75 0.286 0.636 0.236 2.718     277.657     310.000       8.322    6 
+    850000      170000.00      28.904     -27.219       1.685   2.77 0.357 0.286 0.312 1.321     262.232     310.000       6.988    6 
+    860000      172000.00      33.111     -30.823       2.288   3.68 0.214 0.750 0.326 2.492     300.404     310.000       7.143    6 
+    870000      174000.00      30.720     -23.494       7.225   4.53 0.357 0.286 0.208 2.138     278.707     310.000       7.699    6 
+    880000      176000.00      27.088     -14.378      12.710   4.41 0.214 0.400 0.145 1.018     245.757     310.000       8.451    6 
+    890000      178000.00      32.908     -36.024      -3.116   4.79 0.143 0.750 0.239 0.548     298.557     310.000       7.452    6 
+    900000      180000.00      29.591     -33.258      -3.667   5.42 0.357 0.615 0.283 1.210     268.462     310.000       7.023    6 
+    910000      182000.00      33.176     -35.226      -2.050   4.49 0.214 0.667 0.348 0.737     300.994     300.000       7.041    6 
+    920000      184000.00      31.100     -27.273       3.827   3.32 0.071 0.667 0.152 1.289     282.155     300.000       8.375    6 
+    930000      186000.00      26.789     -21.944       4.845   5.64 0.143 0.667 0.205 0.941     243.043     300.000       7.743    6 
+    940000      188000.00      26.663     -20.249       6.414   3.88 0.214 0.667 0.308 1.648     241.902     300.000       8.307    6 
+    950000      190000.00      32.452     -22.689       9.762   5.83 0.143 0.778 0.212 2.839     294.417     300.000       9.486    6 
+    960000      192000.00      32.597     -22.061      10.536   5.77 0.143 0.667 0.167 1.574     295.739     300.000       9.592    6 
+    970000      194000.00      31.980     -25.468       6.512   4.93 0.214 0.750 0.273 2.231     290.136     300.000       6.865    6 
+    980000      196000.00      28.856     -25.016       3.840   4.95 0.214 0.786 0.399 2.728     261.794     300.000       6.575    6 
+    990000      198000.00      32.764     -31.403       1.361   4.33 0.286 0.692 0.465 3.055     297.249     300.000       7.628    6 
+   1000000      200000.00      31.910     -27.073       4.837   4.84 0.357 0.583 0.318 1.590     289.507     300.000       7.368    6 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB007.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB007.stat
index 50a8e15..2903034 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB007.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB007.stat
@@ -1,101 +1,101 @@
          0           0.00      38.869     665.236     704.105   0.00 1.000 0.000 0.308 8.659     352.642     320.000       7.001    7 
-     10000        2000.00      37.737     -20.898      16.838   4.87 0.286 0.600 0.273 1.407     342.368     320.000       7.092    7 
-     20000        4000.00      34.538     -24.646       9.892   5.02 0.143 0.667 0.212 1.651     313.347     320.000       8.256    7 
-     30000        6000.00      24.897     -30.603      -5.706   3.98 0.143 0.667 0.295 1.266     225.880     320.000       7.345    7 
-     40000        8000.00      30.915     -29.276       1.640   7.21 0.214 0.400 0.155 0.940     280.480     320.000      10.468    7 
-     50000       10000.00      28.079     -18.462       9.617   5.93 0.071 0.667 0.197 2.002     254.750     320.000       8.998    7 
-     60000       12000.00      31.498     -30.305       1.193   3.81 0.143 0.778 0.283 2.605     285.766     320.000       6.881    7 
-     70000       14000.00      24.805     -20.238       4.567   3.34 0.071 0.667 0.242 1.204     225.042     320.000       8.297    7 
-     80000       16000.00      36.311     -19.120      17.192   5.12 0.143 0.667 0.288 2.790     329.436     320.000       8.081    7 
-     90000       18000.00      27.161     -16.880      10.280   3.41 0.214 0.625 0.312 3.111     246.414     320.000       7.287    7 
-    100000       20000.00      32.220     -17.922      14.299   6.91 0.071 0.875 0.318 2.850     292.320     320.000       7.383    7 
-    110000       22000.00      29.783      -2.202      27.581   6.11 0.143 0.500 0.148 1.107     270.202     330.000       9.107    7 
-    120000       24000.00      29.059     -15.911      13.148   5.69 0.143 0.750 0.449 2.375     263.641     330.000       6.765    7 
-    130000       26000.00      33.170     -16.641      16.529   5.58 0.071 0.750 0.182 1.247     300.932     330.000       7.570    7 
-    140000       28000.00      34.549     -19.068      15.481   5.05 0.143 0.667 0.386 1.242     313.451     330.000       8.065    7 
-    150000       30000.00      29.233     -10.812      18.421   9.88 0.214 0.400 0.164 1.908     265.215     330.000      13.175    7 
-    160000       32000.00      23.036     -15.624       7.412   5.14 0.143 0.333 0.333 1.360     208.992     330.000       8.337    7 
-    170000       34000.00      26.930     -13.570      13.360   7.73 0.143 0.600 0.145 1.144     244.326     330.000      11.883    7 
-    180000       36000.00      34.268     -16.774      17.494   5.98 0.071 0.875 0.301 1.838     310.895     330.000       6.711    7 
-    190000       38000.00      30.351     -18.139      12.212   3.45 0.214 0.500 0.212 1.272     275.358     330.000       7.879    7 
-    200000       40000.00      27.950     -17.206      10.744   4.37 0.143 0.750 0.466 1.936     253.580     330.000       7.438    7 
-    210000       42000.00      30.501     -20.644       9.857   4.43 0.071 0.750 0.239 2.444     276.725     330.000       7.976    7 
-    220000       44000.00      21.828     -23.345      -1.517   5.54 0.143 0.778 0.328 1.443     198.036     330.000       7.276    7 
-    230000       46000.00      36.180     -16.316      19.864   5.78 0.143 0.778 0.328 1.595     328.246     330.000       7.315    7 
-    240000       48000.00      35.123      -6.107      29.016   6.62 0.071 0.000 0.182 1.168     318.650     330.000      10.974    7 
-    250000       50000.00      37.613      -5.927      31.686   7.74 0.143 0.333 0.152 1.087     341.245     330.000      11.443    7 
-    260000       52000.00      37.869     -33.344       4.525   5.75 0.214 0.625 0.290 1.523     343.564     330.000       7.181    7 
-    270000       54000.00      35.199     -19.810      15.389   4.05 0.143 0.778 0.283 2.615     319.341     330.000       7.588    7 
-    280000       56000.00      32.449     -16.480      15.969   4.60 0.214 0.250 0.307 2.124     294.395     330.000       8.001    7 
-    290000       58000.00      44.777     -11.810      32.967   4.47 0.214 0.625 0.307 1.391     406.238     330.000       8.832    7 
-    300000       60000.00      32.163      -6.862      25.301   4.70 0.143 0.600 0.318 1.646     291.802     330.000       7.249    7 
-    310000       62000.00      28.579       3.088      31.668   8.49 0.000 1.000 0.182 3.639     259.285     330.000      12.535    7 
-    320000       64000.00      31.993      -3.381      28.612   5.24 0.071 0.000 0.136 2.230     290.258     330.000       9.835    7 
-    330000       66000.00      37.867     -11.291      26.577   7.22 0.143 0.600 0.227 1.972     343.553     330.000      10.290    7 
-    340000       68000.00      37.758     -23.351      14.407   3.72 0.286 0.429 0.175 1.270     342.557     330.000       7.905    7 
-    350000       70000.00      28.916      -8.929      19.987   3.83 0.071 0.667 0.152 1.325     262.339     330.000       8.667    7 
-    360000       72000.00      35.025     -12.727      22.298   5.05 0.214 0.400 0.409 1.788     317.766     330.000       8.573    7 
-    370000       74000.00      35.397     -19.727      15.670   4.35 0.286 0.667 0.250 1.681     321.138     330.000       6.952    7 
-    380000       76000.00      47.366      -8.521      38.846   4.92 0.143 0.333 0.288 1.455     429.733     330.000       8.094    7 
-    390000       78000.00      23.555      -7.437      16.118   6.32 0.214 0.250 0.148 1.143     213.700     330.000       9.382    7 
-    400000       80000.00      26.506     -11.439      15.067   5.07 0.286 0.429 0.247 2.471     240.478     330.000       7.777    7 
-    410000       82000.00      28.089     -12.176      15.914   5.44 0.071 0.667 0.485 0.722     254.839     340.000       7.910    7 
-    420000       84000.00      32.638     -11.077      21.561   6.63 0.143 0.500 0.170 1.703     296.107     340.000       9.686    7 
-    430000       86000.00      31.633     -19.993      11.640   8.13 0.143 0.600 0.173 0.905     286.991     340.000       9.914    7 
-    440000       88000.00      33.097      -1.521      31.576   7.79 0.000 1.000 0.136 1.745     300.274     340.000      10.847    7 
-    450000       90000.00      33.863       5.743      39.606   7.60 0.143 0.500 0.170 2.793     307.224     340.000       8.942    7 
-    460000       92000.00      29.150     -18.278      10.873   4.86 0.000 1.000 0.364 1.550     264.467     340.000       7.844    7 
-    470000       94000.00      32.892     -15.671      17.221   5.70 0.000 1.000 0.136 2.405     298.409     340.000       9.287    7 
-    480000       96000.00      28.856     -10.526      18.330   5.76 0.071 0.857 0.260 2.218     261.796     340.000       6.679    7 
-    490000       98000.00      37.401      -8.985      28.416   5.24 0.000 1.000 0.212 2.127     339.317     340.000       7.642    7 
-    500000      100000.00      37.539     -15.827      21.711   5.75 0.071 0.800 0.282 2.146     340.569     340.000       8.776    7 
-    510000      102000.00      39.142     -10.589      28.553   5.33 0.000 1.000 0.318 1.839     355.116     330.000       9.091    7 
-    520000      104000.00      38.510     -20.756      17.754   4.76 0.071 0.833 0.364 1.905     349.384     330.000       7.580    7 
-    530000      106000.00      33.680       2.526      36.206   5.45 0.000 1.000 0.205 2.174     305.560     330.000       8.943    7 
-    540000      108000.00      31.380      -9.756      21.624   4.91 0.071 0.857 0.292 1.865     284.691     330.000       7.001    7 
-    550000      110000.00      27.710     -22.176       5.534   4.41 0.357 0.667 0.324 1.497     251.395     330.000       7.359    7 
-    560000      112000.00      28.097      -0.015      28.082  10.39 0.143 0.333 0.152 1.283     254.915     330.000      13.097    7 
-    570000      114000.00      37.099     -28.658       8.441   4.03 0.214 0.625 0.205 3.491     336.582     330.000       7.441    7 
-    580000      116000.00      37.507     -22.016      15.491   4.69 0.214 0.571 0.260 1.774     340.286     330.000       7.464    7 
-    590000      118000.00      33.536     -24.842       8.694   6.38 0.143 0.778 0.268 1.577     304.258     330.000       6.759    7 
-    600000      120000.00      42.593     -20.522      22.072   3.90 0.286 0.600 0.314 1.308     386.427     330.000       7.088    7 
-    610000      122000.00      28.666     -17.795      10.872   9.52 0.214 0.500 0.152 1.611     260.077     320.000      12.504    7 
-    620000      124000.00      25.910     -28.844      -2.934   4.02 0.357 0.500 0.282 1.330     235.069     320.000       7.719    7 
-    630000      126000.00      30.820     -19.091      11.729   5.07 0.214 0.625 0.335 1.055     279.612     320.000       8.706    7 
-    640000      128000.00      27.484     -15.660      11.823   8.45 0.214 0.250 0.148 0.795     249.345     320.000      12.682    7 
-    650000      130000.00      40.941     -10.911      30.030   4.28 0.214 0.500 0.189 1.911     371.436     320.000       9.013    7 
-    660000      132000.00      36.479      -4.043      32.436   7.11 0.143 0.714 0.169 2.935     330.957     320.000      10.392    7 
-    670000      134000.00      33.161     -16.299      16.862   5.50 0.214 0.571 0.214 1.691     300.854     320.000       8.426    7 
-    680000      136000.00      33.233     -14.793      18.440   5.60 0.143 0.778 0.374 1.574     301.510     320.000       6.824    7 
-    690000      138000.00      34.043     -29.838       4.205   4.86 0.214 0.667 0.313 1.708     308.853     320.000       6.863    7 
-    700000      140000.00      28.700      -8.392      20.308   4.67 0.214 0.625 0.392 2.010     260.384     320.000       7.552    7 
-    710000      142000.00      35.264     -31.465       3.799   4.59 0.214 0.727 0.380 1.908     319.934     310.000       7.117    7 
-    720000      144000.00      27.378     -29.475      -2.097   3.86 0.429 0.400 0.214 2.290     248.386     310.000       7.086    7 
-    730000      146000.00      29.222     -24.984       4.239   1.77 0.357 0.500 0.295 2.208     265.121     310.000       6.907    7 
-    740000      148000.00      36.275     -38.033      -1.758   6.88 0.214 0.786 0.269 1.764     329.103     310.000       6.880    7 
-    750000      150000.00      27.987     -31.499      -3.512   3.76 0.286 0.500 0.278 1.062     253.915     310.000       7.634    7 
-    760000      152000.00      34.358     -26.153       8.205   5.00 0.143 0.714 0.403 1.507     311.714     310.000       7.549    7 
-    770000      154000.00      27.413     -12.117      15.296   4.97 0.214 0.400 0.155 1.387     248.705     310.000       9.491    7 
-    780000      156000.00      33.829     -29.321       4.508   3.71 0.286 0.636 0.302 4.069     306.915     310.000       7.997    7 
-    790000      158000.00      28.066      -8.399      19.667   4.69 0.143 0.750 0.335 1.666     254.633     310.000       7.222    7 
-    800000      160000.00      30.596     -26.872       3.723   3.51 0.429 0.500 0.280 2.689     277.579     310.000       7.213    7 
-    810000      162000.00      29.861     -39.387      -9.526   6.16 0.214 0.800 0.285 1.785     270.913     300.000       6.922    7 
-    820000      164000.00      34.942     -26.481       8.462   5.13 0.214 0.500 0.182 1.720     317.013     300.000       8.874    7 
-    830000      166000.00      27.735     -32.540      -4.805   4.00 0.214 0.667 0.338 1.405     251.625     300.000       7.327    7 
-    840000      168000.00      36.151     -32.675       3.477   4.18 0.357 0.545 0.318 3.071     327.985     300.000       7.718    7 
-    850000      170000.00      27.893     -30.833      -2.939   5.26 0.143 0.778 0.333 1.785     253.060     300.000       8.309    7 
-    860000      172000.00      35.119     -39.802      -4.684   4.62 0.143 0.667 0.318 2.100     318.615     300.000       7.505    7 
-    870000      174000.00      31.052     -24.088       6.964   5.22 0.071 0.833 0.379 1.482     281.719     300.000       8.194    7 
-    880000      176000.00      33.898     -16.522      17.377   5.93 0.071 0.857 0.279 1.046     307.545     300.000       7.322    7 
-    890000      178000.00      23.712     -24.613      -0.902   2.94 0.143 0.818 0.364 1.838     215.127     300.000       7.357    7 
-    900000      180000.00      37.857     -19.020      18.837   4.72 0.071 0.500 0.136 1.319     343.459     300.000       8.457    7 
-    910000      182000.00      31.384     -20.344      11.039   3.62 0.143 0.714 0.260 1.815     284.728     290.000       7.753    7 
-    920000      184000.00      23.249     -39.756     -16.507   6.66 0.071 0.900 0.250 2.099     210.925     290.000       7.252    7 
-    930000      186000.00      22.532     -25.202      -2.670   6.46 0.143 0.714 0.240 1.440     204.419     290.000       7.331    7 
-    940000      188000.00      24.954     -41.310     -16.356   5.71 0.214 0.700 0.305 1.416     226.400     290.000       6.611    7 
-    950000      190000.00      26.762     -31.357      -4.595   3.90 0.286 0.556 0.318 1.847     242.798     290.000       7.627    7 
-    960000      192000.00      30.359     -25.683       4.677   6.12 0.286 0.636 0.285 1.397     275.433     290.000       7.265    7 
-    970000      194000.00      23.756     -29.394      -5.638   7.35 0.143 0.714 0.195 0.900     215.526     290.000       7.644    7 
-    980000      196000.00      26.739     -28.098      -1.358   3.63 0.500 0.462 0.339 2.785     242.593     290.000       6.776    7 
-    990000      198000.00      25.865     -29.657      -3.792   5.27 0.214 0.700 0.250 1.712     234.665     290.000       7.902    7 
-   1000000      200000.00      28.083     -40.989     -12.906   3.78 0.357 0.643 0.208 2.953     254.781     290.000       7.404    7 
+     10000        2000.00      38.462     -22.369      16.093   3.85 0.214 0.571 0.253 1.411     348.943     320.000       7.680    7 
+     20000        4000.00      33.099     -27.022       6.077   3.47 0.286 0.556 0.288 2.283     300.288     320.000       7.563    7 
+     30000        6000.00      25.175     -22.234       2.941   3.70 0.286 0.636 0.355 1.994     228.401     320.000       7.399    7 
+     40000        8000.00      36.874     -20.764      16.110   3.58 0.143 0.600 0.245 1.450     334.540     320.000       7.836    7 
+     50000       10000.00      25.712     -22.502       3.210   6.62 0.071 0.667 0.182 0.947     233.276     320.000       8.116    7 
+     60000       12000.00      29.888     -24.081       5.808   4.09 0.071 0.889 0.313 3.508     271.163     320.000       7.373    7 
+     70000       14000.00      28.574     -21.763       6.811   3.98 0.071 0.750 0.239 1.321     259.238     320.000       8.075    7 
+     80000       16000.00      33.980     -13.025      20.954   5.85 0.286 0.500 0.239 3.032     308.281     320.000       7.778    7 
+     90000       18000.00      31.637     -18.414      13.223   3.25 0.143 0.714 0.234 0.920     287.029     320.000       7.271    7 
+    100000       20000.00      32.978     -23.923       9.055   5.50 0.214 0.769 0.409 1.460     299.189     320.000       7.082    7 
+    110000       22000.00      34.967     -21.805      13.161   7.87 0.429 0.333 0.162 2.545     317.234     310.000       9.688    7 
+    120000       24000.00      25.596     -14.599      10.997   5.54 0.000 1.000 0.351 2.016     232.223     310.000       7.151    7 
+    130000       26000.00      33.347     -34.395      -1.048   3.45 0.143 0.714 0.201 1.005     302.538     310.000       7.032    7 
+    140000       28000.00      34.289     -18.729      15.560   4.33 0.357 0.444 0.293 1.235     311.091     310.000       8.036    7 
+    150000       30000.00      28.666     -19.882       8.784   5.22 0.143 0.333 0.485 2.637     260.077     310.000       8.787    7 
+    160000       32000.00      25.397     -31.761      -6.364   4.38 0.214 0.667 0.298 1.532     230.419     310.000       7.618    7 
+    170000       34000.00      25.672     -33.149      -7.477   3.53 0.214 0.625 0.386 1.700     232.909     310.000       7.830    7 
+    180000       36000.00      32.716     -22.649      10.067   7.25 0.071 0.900 0.291 1.499     296.814     310.000       7.032    7 
+    190000       38000.00      28.509     -16.471      12.038   6.11 0.214 0.400 0.164 1.496     258.652     310.000      10.016    7 
+    200000       40000.00      31.385      -9.262      22.123   6.94 0.143 0.750 0.193 3.820     284.742     310.000       8.505    7 
+    210000       42000.00      27.004     -16.513      10.490   5.71 0.214 0.250 0.170 2.566     244.991     300.000       8.410    7 
+    220000       44000.00      26.119     -27.191      -1.072   5.90 0.143 0.500 0.148 0.771     236.963     300.000      10.200    7 
+    230000       46000.00      27.981     -24.450       3.531   4.77 0.214 0.667 0.303 1.575     253.858     300.000       7.608    7 
+    240000       48000.00      29.930     -32.586      -2.656   6.77 0.286 0.556 0.237 1.178     271.541     300.000       7.741    7 
+    250000       50000.00      35.739     -20.627      15.113   4.38 0.214 0.625 0.324 2.429     324.247     300.000       7.436    7 
+    260000       52000.00      32.049     -29.883       2.166   6.70 0.286 0.636 0.202 1.410     290.765     300.000       7.446    7 
+    270000       54000.00      29.318     -18.891      10.427   4.86 0.143 0.714 0.214 1.831     265.986     300.000       7.257    7 
+    280000       56000.00      29.385     -25.228       4.157   4.28 0.357 0.444 0.187 1.216     266.592     300.000       7.512    7 
+    290000       58000.00      40.883     -14.445      26.438   4.27 0.214 0.571 0.149 2.192     370.910     300.000       8.627    7 
+    300000       60000.00      30.340     -28.319       2.021   4.62 0.143 0.833 0.383 1.960     275.264     300.000       7.332    7 
+    310000       62000.00      31.406     -24.351       7.055   4.44 0.143 0.714 0.240 1.535     284.932     320.000       8.734    7 
+    320000       64000.00      30.737     -15.066      15.672   4.79 0.071 0.800 0.182 1.587     278.864     320.000       9.378    7 
+    330000       66000.00      35.484      -7.997      27.487   5.93 0.286 0.200 0.155 1.491     321.932     320.000       9.286    7 
+    340000       68000.00      32.906     -32.399       0.508   3.76 0.214 0.571 0.305 1.346     298.544     320.000       7.104    7 
+    350000       70000.00      32.632     -40.723      -8.091   4.50 0.286 0.733 0.376 0.904     296.051     320.000       6.763    7 
+    360000       72000.00      44.171     -18.387      25.784   3.96 0.071 0.750 0.250 1.712     400.742     320.000       7.724    7 
+    370000       74000.00      34.472     -22.555      11.917   5.21 0.071 0.857 0.240 2.090     312.750     320.000       7.486    7 
+    380000       76000.00      50.820     -14.709      36.110   4.48 0.143 0.714 0.195 2.239     461.064     320.000       7.493    7 
+    390000       78000.00      22.405     -26.427      -4.022   4.20 0.214 0.500 0.182 1.949     203.269     320.000       8.435    7 
+    400000       80000.00      31.580     -12.914      18.666   4.14 0.143 0.600 0.418 1.355     286.511     320.000       7.889    7 
+    410000       82000.00      29.917     -12.950      16.967   4.64 0.143 0.000 0.159 1.673     271.427     330.000       9.132    7 
+    420000       84000.00      27.114     -27.425      -0.311   4.75 0.143 0.750 0.273 1.361     245.989     330.000       7.321    7 
+    430000       86000.00      25.095      -6.631      18.464   9.44 0.143 0.000 0.159 1.254     227.674     330.000      12.871    7 
+    440000       88000.00      28.608      -7.707      20.901   4.89 0.143 0.500 0.375 3.493     259.548     330.000       8.468    7 
+    450000       90000.00      35.065     -23.022      12.043   3.93 0.214 0.571 0.247 1.792     318.132     330.000       8.115    7 
+    460000       92000.00      30.629     -14.720      15.909   7.32 0.071 0.833 0.242 1.193     277.884     330.000      10.223    7 
+    470000       94000.00      31.320      -8.711      22.609   7.82 0.000 1.000 0.189 1.761     284.155     330.000      10.019    7 
+    480000       96000.00      32.905     -19.619      13.286   4.03 0.071 0.667 0.258 2.653     298.535     330.000       8.257    7 
+    490000       98000.00      35.474      -5.213      30.260   5.95 0.000 1.000 0.182 1.469     321.834     330.000       9.929    7 
+    500000      100000.00      32.909      -9.605      23.303   5.45 0.000 1.000 0.523 1.866     298.564     330.000       8.941    7 
+    510000      102000.00      31.040     -14.868      16.172   3.71 0.143 0.778 0.399 1.594     281.608     320.000       7.604    7 
+    520000      104000.00      35.705     -14.295      21.410   6.07 0.143 0.600 0.273 2.903     323.933     320.000       8.884    7 
+    530000      106000.00      32.946       2.606      35.552   4.75 0.143 0.714 0.240 1.648     298.905     320.000       7.383    7 
+    540000      108000.00      27.267     -18.528       8.739   4.10 0.143 0.667 0.212 2.207     247.380     320.000       8.220    7 
+    550000      110000.00      28.039     -22.796       5.243   6.18 0.143 0.333 0.136 1.728     254.386     320.000      10.254    7 
+    560000      112000.00      25.080     -19.782       5.298   7.38 0.143 0.714 0.201 2.281     227.542     320.000       9.441    7 
+    570000      114000.00      33.614     -19.066      14.548   5.51 0.143 0.667 0.311 1.537     304.967     320.000       7.401    7 
+    580000      116000.00      33.111     -17.625      15.486   3.38 0.143 0.750 0.318 2.492     300.402     320.000       7.646    7 
+    590000      118000.00      37.040     -24.685      12.355   6.98 0.286 0.556 0.197 1.629     336.046     320.000       8.280    7 
+    600000      120000.00      43.718     -24.983      18.735   7.48 0.071 0.875 0.199 1.908     396.633     320.000       8.115    7 
+    610000      122000.00      29.552     -22.480       7.072   6.97 0.143 0.500 0.136 1.779     268.115     310.000       9.656    7 
+    620000      124000.00      29.162     -20.567       8.594   7.51 0.286 0.429 0.182 1.005     264.571     310.000       9.367    7 
+    630000      126000.00      26.201     -19.681       6.520   4.38 0.071 0.800 0.236 1.855     237.710     310.000       7.346    7 
+    640000      128000.00      31.094     -26.850       4.244   4.70 0.357 0.545 0.339 1.322     282.103     310.000       7.799    7 
+    650000      130000.00      37.448     -23.557      13.891   3.81 0.143 0.500 0.239 2.350     339.750     310.000       7.837    7 
+    660000      132000.00      34.635     -18.808      15.827   5.16 0.286 0.429 0.403 2.012     314.226     310.000       7.815    7 
+    670000      134000.00      28.450     -12.918      15.533   4.81 0.143 0.333 0.152 1.403     258.116     310.000       8.867    7 
+    680000      136000.00      31.423     -29.643       1.780   6.53 0.143 0.818 0.384 2.095     285.082     310.000       6.759    7 
+    690000      138000.00      31.168      -8.683      22.485   7.54 0.071 0.833 0.235 4.774     282.774     310.000       8.033    7 
+    700000      140000.00      31.515     -22.521       8.994   6.65 0.000 1.000 0.242 1.520     285.921     310.000       7.446    7 
+    710000      142000.00      34.541     -27.113       7.427   6.85 0.143 0.778 0.247 0.979     313.373     300.000       7.402    7 
+    720000      144000.00      26.350     -22.899       3.451   7.13 0.143 0.714 0.182 1.548     239.063     300.000       8.048    7 
+    730000      146000.00      33.342     -22.774      10.568   5.22 0.357 0.545 0.190 1.468     302.495     300.000       7.783    7 
+    740000      148000.00      33.898     -23.504      10.394   4.45 0.071 0.800 0.227 3.791     307.540     300.000       7.758    7 
+    750000      150000.00      33.315     -27.416       5.899   3.19 0.143 0.833 0.352 0.681     302.252     300.000       6.801    7 
+    760000      152000.00      32.279     -37.224      -4.945   7.54 0.214 0.727 0.231 1.478     292.850     300.000       7.556    7 
+    770000      154000.00      23.279     -37.510     -14.231   4.99 0.429 0.500 0.326 1.335     211.203     300.000       6.960    7 
+    780000      156000.00      28.117     -12.885      15.232   7.25 0.143 0.333 0.197 1.144     255.093     300.000      10.258    7 
+    790000      158000.00      23.436     -37.653     -14.217   5.69 0.214 0.667 0.359 1.234     212.627     300.000       7.213    7 
+    800000      160000.00      29.455     -20.744       8.711   2.93 0.143 0.714 0.325 1.435     267.229     300.000       7.848    7 
+    810000      162000.00      34.172     -10.858      23.314   5.57 0.071 0.857 0.377 3.422     310.026     350.000       7.871    7 
+    820000      164000.00      36.982      -2.176      34.806   6.38 0.143 0.600 0.245 2.530     335.518     350.000       7.835    7 
+    830000      166000.00      32.565     -15.463      17.102   7.22 0.000 1.000 0.239 1.130     295.445     350.000       7.606    7 
+    840000      168000.00      42.026      -6.661      35.365   6.41 0.071 0.667 0.273 1.303     381.282     350.000       8.583    7 
+    850000      170000.00      34.179      -2.931      31.248   4.97 0.071 0.500 0.136 0.979     310.094     350.000       8.711    7 
+    860000      172000.00      34.584      -4.272      30.312   7.31 0.071 0.750 0.182 3.011     313.760     350.000      10.375    7 
+    870000      174000.00      35.798       0.419      36.217   4.51 0.143 0.333 0.424 2.889     324.778     350.000       8.876    7 
+    880000      176000.00      46.025     -26.734      19.290   4.48 0.357 0.583 0.398 3.366     417.559     350.000       7.141    7 
+    890000      178000.00      25.414      -4.447      20.967   6.98 0.214 0.000 0.152 1.289     230.572     350.000      10.901    7 
+    900000      180000.00      43.956     -17.131      26.825   4.48 0.071 0.800 0.427 1.608     398.790     350.000       8.387    7 
+    910000      182000.00      34.352      -1.724      32.628   6.07 0.143 0.500 0.193 2.487     311.661     340.000       8.622    7 
+    920000      184000.00      27.200      -3.972      23.229   7.54 0.071 0.667 0.152 1.067     246.776     340.000       8.321    7 
+    930000      186000.00      25.564      -4.322      21.242   5.20 0.000 1.000 0.327 1.434     231.933     340.000       7.915    7 
+    940000      188000.00      42.274      -2.591      39.683   6.14 0.000 1.000 0.307 3.324     383.529     340.000       8.323    7 
+    950000      190000.00      32.540     -12.946      19.594   4.98 0.143 0.600 0.145 2.315     295.221     340.000       8.606    7 
+    960000      192000.00      38.595      -7.197      31.398   4.13 0.143 0.500 0.148 0.394     350.150     340.000       8.798    7 
+    970000      194000.00      23.850     -23.450       0.400   5.60 0.143 0.800 0.341 1.420     216.378     340.000       7.026    7 
+    980000      196000.00      35.144     -24.419      10.726   4.85 0.214 0.625 0.392 2.496     318.849     340.000       7.471    7 
+    990000      198000.00      27.340     -13.988      13.351   4.14 0.143 0.714 0.221 2.029     248.040     340.000       7.216    7 
+   1000000      200000.00      28.693     -11.838      16.854   4.29 0.143 0.667 0.205 3.353     260.317     340.000       7.392    7 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB008.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB008.stat
index 1f34b3d..4a2f379 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB008.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB008.stat
@@ -1,101 +1,101 @@
          0           0.00      38.347     666.376     704.723   0.00 1.000 0.000 0.308 8.658     347.903     330.000       7.001    8 
-     10000        2000.00      32.540     -24.018       8.522   3.41 0.357 0.545 0.372 1.534     295.215     330.000       6.829    8 
-     20000        4000.00      30.948     -21.890       9.058   8.79 0.214 0.500 0.174 1.248     280.772     330.000      11.141    8 
-     30000        6000.00      31.086     -22.522       8.564   4.47 0.143 0.600 0.455 2.403     282.029     330.000       7.908    8 
-     40000        8000.00      30.764     -21.959       8.805   6.23 0.214 0.625 0.392 1.334     279.111     330.000       7.018    8 
-     50000       10000.00      35.018     -25.411       9.607   4.61 0.143 0.600 0.173 0.973     317.701     330.000       7.513    8 
-     60000       12000.00      29.806     -17.182      12.625   4.84 0.000 1.000 0.307 1.971     270.419     330.000       7.948    8 
-     70000       14000.00      33.774      -4.477      29.297   4.97 0.143 0.714 0.344 1.875     306.418     330.000       8.013    8 
-     80000       16000.00      33.507       2.165      35.673   5.25 0.143 0.333 0.182 2.398     303.997     330.000       8.772    8 
-     90000       18000.00      34.491     -25.745       8.746   5.97 0.071 0.923 0.318 1.151     312.924     330.000       6.776    8 
-    100000       20000.00      30.821     -23.449       7.372   5.15 0.143 0.333 0.273 2.481     279.627     330.000       7.928    8 
-    110000       22000.00      29.408     -28.691       0.717   5.49 0.214 0.769 0.357 1.787     266.808     320.000       6.459    8 
-    120000       24000.00      31.980     -24.160       7.820   4.70 0.214 0.625 0.244 1.360     290.143     320.000       7.355    8 
-    130000       26000.00      31.202     -18.615      12.587   4.28 0.286 0.556 0.182 1.532     283.082     320.000       8.599    8 
-    140000       28000.00      33.047     -15.601      17.446   3.58 0.286 0.556 0.298 1.727     299.819     320.000       7.753    8 
-    150000       30000.00      22.135      -8.756      13.379   8.45 0.143 0.600 0.145 1.955     200.819     320.000      12.284    8 
-    160000       32000.00      30.017     -30.241      -0.224   4.18 0.357 0.583 0.337 1.604     272.333     320.000       7.324    8 
-    170000       34000.00      29.831     -26.514       3.317   2.88 0.357 0.500 0.350 2.071     270.642     320.000       7.150    8 
-    180000       36000.00      24.094     -22.147       1.947   4.82 0.143 0.600 0.173 1.289     218.593     320.000       8.825    8 
-    190000       38000.00      39.640      -6.383      33.258   7.48 0.143 0.500 0.148 2.002     359.638     320.000       9.644    8 
-    200000       40000.00      33.480     -24.116       9.364   4.81 0.071 0.750 0.148 0.702     303.750     320.000       8.093    8 
-    210000       42000.00      26.940     -20.140       6.799   4.44 0.143 0.667 0.303 1.391     244.411     310.000       7.672    8 
-    220000       44000.00      31.074     -17.287      13.787   7.20 0.071 0.750 0.216 1.146     281.921     310.000      10.603    8 
-    230000       46000.00      29.244     -24.027       5.217   6.62 0.071 0.800 0.182 1.949     265.318     310.000      10.623    8 
-    240000       48000.00      35.635     -16.592      19.044   7.47 0.143 0.600 0.182 2.750     323.303     310.000       8.242    8 
-    250000       50000.00      31.629     -26.668       4.961   6.03 0.143 0.667 0.205 1.495     286.954     310.000       8.489    8 
-    260000       52000.00      35.193     -22.131      13.062   3.88 0.286 0.429 0.156 1.848     319.292     310.000       8.456    8 
-    270000       54000.00      24.720     -25.961      -1.241   4.81 0.071 0.889 0.470 1.404     224.273     310.000       7.448    8 
-    280000       56000.00      25.853     -31.416      -5.564   6.42 0.143 0.778 0.369 2.150     234.549     310.000       7.225    8 
-    290000       58000.00      32.920     -24.347       8.573   5.98 0.071 0.750 0.455 2.347     298.671     310.000       7.661    8 
-    300000       60000.00      34.546     -22.710      11.836   5.29 0.286 0.500 0.273 1.456     313.420     310.000       7.159    8 
-    310000       62000.00      32.973      -9.037      23.936   4.73 0.143 0.667 0.174 0.710     299.148     320.000       9.213    8 
-    320000       64000.00      29.152     -20.034       9.119   6.14 0.143 0.714 0.201 2.112     264.486     320.000       7.779    8 
-    330000       66000.00      28.661     -11.173      17.488   7.35 0.071 0.857 0.299 0.785     260.027     320.000       8.174    8 
-    340000       68000.00      36.739      -9.456      27.283   5.77 0.000 1.000 0.636 1.169     333.316     320.000       7.524    8 
-    350000       70000.00      38.013     -24.362      13.651   4.68 0.071 0.875 0.386 1.386     344.872     320.000       7.497    8 
-    360000       72000.00      39.369     -24.566      14.802   7.02 0.143 0.778 0.253 2.932     357.175     320.000       7.605    8 
-    370000       74000.00      29.609     -23.303       6.306   6.17 0.143 0.600 0.182 1.122     268.626     320.000       9.805    8 
-    380000       76000.00      27.307     -15.544      11.763   5.82 0.143 0.500 0.250 2.783     247.746     320.000       8.361    8 
-    390000       78000.00      31.806     -25.875       5.931   4.52 0.286 0.500 0.335 0.688     288.561     320.000       7.217    8 
-    400000       80000.00      38.354     -21.548      16.807   4.90 0.214 0.727 0.322 1.124     347.971     320.000       7.240    8 
-    410000       82000.00      29.790     -30.667      -0.877   4.92 0.286 0.556 0.187 1.095     270.271     310.000       7.402    8 
-    420000       84000.00      30.764     -18.338      12.426   5.13 0.143 0.714 0.286 2.027     279.107     310.000       7.467    8 
-    430000       86000.00      32.197     -32.892      -0.694   5.70 0.143 0.846 0.360 0.745     292.111     310.000       6.663    8 
-    440000       88000.00      22.899     -35.684     -12.786   4.86 0.286 0.636 0.355 1.165     207.747     310.000       7.236    8 
-    450000       90000.00      34.483     -24.475      10.007   5.33 0.214 0.769 0.329 1.000     312.843     310.000       7.100    8 
-    460000       92000.00      29.161     -28.908       0.253   5.65 0.286 0.714 0.386 2.275     264.567     310.000       6.952    8 
-    470000       94000.00      27.429     -22.109       5.321   6.88 0.214 0.571 0.162 1.778     248.854     310.000       9.101    8 
-    480000       96000.00      39.649     -33.697       5.952   3.53 0.214 0.750 0.356 3.153     359.718     310.000       6.486    8 
-    490000       98000.00      31.258     -17.450      13.808   5.82 0.143 0.500 0.182 1.652     283.591     310.000       9.045    8 
-    500000      100000.00      24.447     -21.149       3.298   6.37 0.143 0.800 0.250 2.243     221.799     310.000       6.942    8 
-    510000      102000.00      30.661     -37.500      -6.839   4.43 0.214 0.667 0.242 1.551     278.175     300.000       7.501    8 
-    520000      104000.00      34.036     -33.506       0.531   5.43 0.429 0.600 0.288 0.938     308.794     300.000       6.618    8 
-    530000      106000.00      28.933     -30.243      -1.310   3.53 0.143 0.667 0.265 1.824     262.495     300.000       7.350    8 
-    540000      108000.00      40.824     -31.107       9.717   4.37 0.286 0.600 0.427 1.064     370.376     300.000       7.072    8 
-    550000      110000.00      27.224     -24.229       2.995   4.41 0.429 0.538 0.297 1.880     246.990     300.000       7.026    8 
-    560000      112000.00      28.162     -29.935      -1.773   4.14 0.214 0.500 0.258 2.429     255.504     300.000       7.419    8 
-    570000      114000.00      25.844     -25.847      -0.003   5.78 0.071 0.833 0.212 2.762     234.473     300.000       8.623    8 
-    580000      116000.00      24.449      -9.122      15.327   4.68 0.071 0.857 0.409 1.898     221.811     300.000       6.603    8 
-    590000      118000.00      27.069     -13.066      14.004   7.39 0.143 0.818 0.215 1.865     245.588     300.000       8.655    8 
-    600000      120000.00      32.552     -22.466      10.085   6.18 0.214 0.500 0.182 1.419     295.327     300.000       9.486    8 
-    610000      122000.00      34.303     -25.815       8.488   5.40 0.071 0.857 0.455 1.907     311.215     330.000       7.934    8 
-    620000      124000.00      29.383     -12.114      17.269   6.07 0.000 1.000 0.136 1.836     266.578     330.000       8.542    8 
-    630000      126000.00      27.382     -11.869      15.513   6.98 0.071 0.500 0.136 1.141     248.420     330.000       9.501    8 
-    640000      128000.00      29.156     -18.047      11.109   4.64 0.143 0.714 0.221 1.810     264.515     330.000       7.481    8 
-    650000      130000.00      33.068     -15.682      17.386   9.06 0.071 0.667 0.212 1.615     300.010     330.000      11.178    8 
-    660000      132000.00      32.462      -1.924      30.538   4.54 0.143 0.600 0.264 2.347     294.512     330.000       8.716    8 
-    670000      134000.00      26.229     -15.088      11.140   4.67 0.143 0.667 0.242 1.697     237.959     330.000       8.889    8 
-    680000      136000.00      33.421     -19.563      13.858   6.11 0.143 0.800 0.332 1.543     303.216     330.000       7.132    8 
-    690000      138000.00      33.530     -17.353      16.177   4.66 0.143 0.500 0.148 2.039     304.199     330.000       9.738    8 
-    700000      140000.00      38.314     -27.598      10.716   5.65 0.143 0.818 0.409 1.126     347.606     330.000       7.410    8 
-    710000      142000.00      24.341      -4.964      19.377   5.40 0.071 0.750 0.148 1.771     220.834     320.000       8.850    8 
-    720000      144000.00      31.517     -11.921      19.596   5.44 0.214 0.700 0.300 1.262     285.936     320.000       8.146    8 
-    730000      146000.00      36.811     -15.339      21.472   4.92 0.214 0.250 0.273 2.277     333.967     320.000       8.488    8 
-    740000      148000.00      23.833      -8.012      15.820   5.47 0.071 0.667 0.136 2.209     216.225     320.000       9.417    8 
-    750000      150000.00      30.198     -20.159      10.038   5.16 0.214 0.750 0.307 1.256     273.968     320.000       6.542    8 
-    760000      152000.00      25.316     -28.328      -3.011   3.52 0.286 0.636 0.384 1.816     229.684     320.000       6.859    8 
-    770000      154000.00      33.661     -14.055      19.606   8.27 0.071 0.833 0.250 2.872     305.389     320.000      11.248    8 
-    780000      156000.00      25.895     -16.814       9.081   4.42 0.286 0.600 0.268 1.902     234.936     320.000       7.230    8 
-    790000      158000.00      26.631      -4.868      21.763   5.74 0.143 0.500 0.250 3.809     241.614     320.000      10.074    8 
-    800000      160000.00      30.777     -26.088       4.690   4.62 0.214 0.571 0.429 1.237     279.229     320.000       8.190    8 
-    810000      162000.00      33.733     -12.193      21.540   5.62 0.143 0.333 0.136 0.936     306.045     320.000       8.360    8 
-    820000      164000.00      32.769     -21.153      11.616   5.12 0.143 0.778 0.379 2.310     297.296     320.000       7.117    8 
-    830000      166000.00      27.598     -19.658       7.940   4.66 0.286 0.500 0.312 0.920     250.380     320.000       8.416    8 
-    840000      168000.00      33.873     -13.201      20.672   5.40 0.214 0.571 0.227 1.812     307.315     320.000       8.501    8 
-    850000      170000.00      34.146      -1.928      32.217   6.64 0.071 0.667 0.394 1.978     309.786     320.000       7.239    8 
-    860000      172000.00      28.278     -10.969      17.310   4.44 0.143 0.500 0.239 2.791     256.554     320.000       9.165    8 
-    870000      174000.00      32.809     -19.692      13.118   5.41 0.214 0.625 0.182 1.731     297.661     320.000       7.063    8 
-    880000      176000.00      30.755     -25.745       5.010   4.48 0.143 0.500 0.182 1.723     279.027     320.000       8.566    8 
-    890000      178000.00      32.229     -13.702      18.527   7.91 0.143 0.500 0.148 1.246     292.402     320.000      12.123    8 
-    900000      180000.00      31.376     -26.426       4.951   5.17 0.214 0.667 0.338 1.450     284.662     320.000       7.812    8 
-    910000      182000.00      28.288     -25.033       3.255   4.79 0.143 0.600 0.182 1.572     256.640     310.000       7.565    8 
-    920000      184000.00      28.786     -32.771      -3.985   6.59 0.214 0.625 0.256 1.689     261.162     310.000       6.884    8 
-    930000      186000.00      29.082     -32.872      -3.789   6.95 0.357 0.615 0.290 2.675     263.850     310.000       6.670    8 
-    940000      188000.00      28.264     -29.548      -1.284   4.49 0.214 0.667 0.232 3.361     256.425     310.000       7.252    8 
-    950000      190000.00      28.268     -20.196       8.072   4.23 0.214 0.700 0.277 3.124     256.464     310.000       7.394    8 
-    960000      192000.00      21.174     -10.289      10.885   4.47 0.143 0.714 0.506 1.651     192.100     310.000       7.370    8 
-    970000      194000.00      30.512     -11.491      19.022   4.11 0.214 0.250 0.386 2.240     276.824     310.000       8.146    8 
-    980000      196000.00      30.375     -12.566      17.809   4.08 0.143 0.667 0.295 1.710     275.578     310.000       7.534    8 
-    990000      198000.00      36.253     -12.740      23.513   4.41 0.214 0.571 0.318 1.281     328.910     310.000       8.177    8 
-   1000000      200000.00      32.740     -32.544       0.196   4.42 0.357 0.722 0.364 2.335     297.030     310.000       6.406    8 
+     10000        2000.00      35.510     -16.560      18.950   6.71 0.071 0.857 0.377 0.756     322.162     330.000       8.214    8 
+     20000        4000.00      31.866      -8.456      23.410   4.86 0.143 0.778 0.480 1.314     289.103     330.000       8.012    8 
+     30000        6000.00      35.242     -14.204      21.038   5.76 0.071 0.800 0.245 0.868     319.736     330.000       8.692    8 
+     40000        8000.00      36.367     -10.962      25.405   4.08 0.143 0.714 0.416 2.967     329.939     330.000       7.974    8 
+     50000       10000.00      37.685     -16.556      21.129   6.38 0.071 0.833 0.189 0.913     341.902     330.000       9.025    8 
+     60000       12000.00      30.048      -7.927      22.121   5.59 0.071 0.800 0.518 2.334     272.610     330.000       7.831    8 
+     70000       14000.00      27.880     -16.351      11.529   4.47 0.286 0.333 0.303 1.386     252.942     330.000       7.544    8 
+     80000       16000.00      31.178     -14.710      16.468   4.13 0.143 0.667 0.356 2.998     282.867     330.000       7.976    8 
+     90000       18000.00      33.903     -19.687      14.216   4.65 0.214 0.727 0.269 1.644     307.585     330.000       7.383    8 
+    100000       20000.00      37.283     -14.825      22.459   3.91 0.214 0.700 0.391 2.243     338.254     330.000       7.400    8 
+    110000       22000.00      32.714     -33.934      -1.219   4.36 0.286 0.667 0.337 1.576     296.802     320.000       6.732    8 
+    120000       24000.00      29.860     -28.316       1.544   3.73 0.214 0.727 0.343 2.885     270.903     320.000       6.487    8 
+    130000       26000.00      34.781     -26.253       8.528   4.23 0.143 0.818 0.335 1.549     315.549     320.000       6.855    8 
+    140000       28000.00      33.688     -18.047      15.641   4.82 0.286 0.429 0.175 2.268     305.636     320.000       7.987    8 
+    150000       30000.00      27.092     -33.141      -6.049   5.12 0.214 0.750 0.345 1.224     245.793     320.000       6.940    8 
+    160000       32000.00      30.319     -36.724      -6.405   3.38 0.143 0.846 0.399 1.846     275.070     320.000       6.403    8 
+    170000       34000.00      33.631     -21.743      11.888   4.04 0.143 0.833 0.394 1.525     305.117     320.000       7.235    8 
+    180000       36000.00      26.680     -25.245       1.434   4.82 0.286 0.556 0.460 1.382     242.052     320.000       7.614    8 
+    190000       38000.00      39.126     -20.912      18.214   5.08 0.214 0.250 0.261 1.787     354.973     320.000       7.892    8 
+    200000       40000.00      36.046       1.723      37.769   4.71 0.071 0.857 0.396 1.288     327.024     320.000       8.133    8 
+    210000       42000.00      37.368       9.923      47.291   5.16 0.071 0.500 0.205 1.344     339.020     400.000       8.569    8 
+    220000       44000.00      40.833      -5.705      35.128   7.67 0.071 0.500 0.159 1.950     370.456     400.000      10.842    8 
+    230000       46000.00      39.940       9.989      49.929   4.75 0.000 1.000 0.182 1.467     362.355     400.000       9.600    8 
+    240000       48000.00      43.952       4.834      48.786   5.73 0.000 1.000 0.227 1.459     398.758     400.000       8.475    8 
+    250000       50000.00      33.813       9.172      42.985   8.39 0.000 1.000 0.182 1.495     306.768     400.000      12.032    8 
+    260000       52000.00      41.913      -0.434      41.479   5.29 0.071 0.800 0.400 3.263     380.254     400.000       8.724    8 
+    270000       54000.00      38.970      11.815      50.785   6.44 0.000 1.000 0.159 1.757     353.555     400.000      10.959    8 
+    280000       56000.00      34.799       6.649      41.448   9.52 0.071 0.000 0.182 2.570     315.710     400.000      12.694    8 
+    290000       58000.00      41.338       4.012      45.350   7.35 0.000 1.000 0.167 0.997     375.041     400.000      12.180    8 
+    300000       60000.00      38.246       9.266      47.512   6.40 0.000 1.000 0.159 1.965     346.989     400.000       9.965    8 
+    310000       62000.00      39.187      -2.364      36.823   6.73 0.143 0.714 0.364 2.022     355.527     390.000       9.261    8 
+    320000       64000.00      37.020     -11.654      25.366   5.72 0.071 0.667 0.303 1.056     335.865     390.000       8.428    8 
+    330000       66000.00      28.751      16.188      44.940   5.80 0.071 0.500 0.159 1.558     260.848     390.000      10.516    8 
+    340000       68000.00      43.359      -1.029      42.330   5.25 0.071 0.833 0.341 2.695     393.374     390.000       8.557    8 
+    350000       70000.00      42.126       6.533      48.659   3.81 0.071 0.833 0.508 1.957     382.193     390.000       7.709    8 
+    360000       72000.00      51.060       2.141      53.200   5.19 0.000   NaN   NaN 2.592     463.239     390.000      10.166    8 
+    370000       74000.00      37.522       0.323      37.845  11.10 0.071 0.500 0.159 0.796     340.415     390.000      14.946    8 
+    380000       76000.00      35.429       0.812      36.241   8.32 0.000 1.000 0.182 1.963     321.429     390.000      11.904    8 
+    390000       78000.00      37.182      -0.540      36.642   7.10 0.000 1.000 0.227 1.117     337.333     390.000       9.950    8 
+    400000       80000.00      41.767       8.318      50.086   5.04 0.071 0.750 0.273 2.003     378.936     390.000       8.557    8 
+    410000       82000.00      31.495      -9.564      21.931   5.14 0.214 0.625 0.307 1.461     285.736     400.000       7.641    8 
+    420000       84000.00      39.769      12.759      52.528   7.39 0.000   NaN   NaN 3.601     360.806     400.000      11.559    8 
+    430000       86000.00      43.204     -10.578      32.627   4.80 0.143 0.667 0.402 1.120     391.973     400.000       7.164    8 
+    440000       88000.00      32.274       0.433      32.707   4.22 0.143 0.500 0.602 1.786     292.804     400.000       7.866    8 
+    450000       90000.00      40.895       2.035      42.930   4.93 0.000 1.000 0.197 1.638     371.025     400.000       8.502    8 
+    460000       92000.00      34.645       2.568      37.213   5.33 0.000 1.000 0.273 2.132     314.318     400.000       8.391    8 
+    470000       94000.00      45.885       1.573      47.458   5.05 0.000 1.000 0.464 1.199     416.291     400.000       7.697    8 
+    480000       96000.00      43.655       4.167      47.822   9.26 0.143 0.000 0.159 3.607     396.061     400.000      12.197    8 
+    490000       98000.00      40.954      12.771      53.724   7.18 0.000 1.000 0.545 1.408     371.554     400.000       9.786    8 
+    500000      100000.00      38.690      -7.065      31.625  10.74 0.071 0.500 0.159 1.202     351.017     400.000      13.210    8 
+    510000      102000.00      32.394      -2.400      29.994   7.12 0.000 1.000 0.364 1.657     293.897     390.000       9.209    8 
+    520000      104000.00      43.975       3.558      47.533   7.58 0.000 1.000 0.273 2.449     398.961     390.000      10.274    8 
+    530000      106000.00      35.417       1.975      37.392   5.24 0.071 0.800 0.255 1.951     321.322     390.000       7.975    8 
+    540000      108000.00      45.882      11.063      56.944   4.94 0.071 0.667 0.273 2.400     416.262     390.000       9.426    8 
+    550000      110000.00      31.911       7.733      39.644   5.69 0.071 0.667 0.227 2.638     289.515     390.000       9.582    8 
+    560000      112000.00      30.244      -3.571      26.673   7.02 0.000   NaN   NaN 1.174     274.387     390.000      11.679    8 
+    570000      114000.00      41.127      -0.051      41.077   4.93 0.071 0.000 0.136 3.319     373.129     390.000       9.100    8 
+    580000      116000.00      36.989       5.200      42.189   5.82 0.000 1.000 0.258 2.374     335.585     390.000       8.902    8 
+    590000      118000.00      39.040      -4.410      34.630   9.26 0.000 1.000 0.182 1.276     354.188     390.000      13.594    8 
+    600000      120000.00      42.841      -4.837      38.004   6.42 0.000   NaN   NaN 1.825     388.673     390.000      10.288    8 
+    610000      122000.00      38.631      12.949      51.581   5.63 0.071 0.750 0.148 2.244     350.485     380.000      10.027    8 
+    620000      124000.00      28.255      -6.634      21.622   8.24 0.000 1.000 0.227 2.660     256.347     380.000      11.670    8 
+    630000      126000.00      31.136       4.494      35.630   9.45 0.000   NaN   NaN 1.584     282.483     380.000      12.211    8 
+    640000      128000.00      33.900      -2.046      31.854   6.89 0.071 0.500 0.136 1.840     307.554     380.000      11.127    8 
+    650000      130000.00      47.521      -5.186      42.335   5.65 0.071 0.800 0.400 4.791     431.131     380.000       8.012    8 
+    660000      132000.00      34.903     -10.108      24.795   4.25 0.000   NaN   NaN 1.871     316.658     380.000       8.607    8 
+    670000      134000.00      26.782      12.926      39.709   6.95 0.071 0.000 0.136 1.681     242.984     380.000      11.838    8 
+    680000      136000.00      34.039       7.179      41.218   6.35 0.000 1.000 0.205 1.194     308.819     380.000       9.723    8 
+    690000      138000.00      41.827      -4.001      37.826   7.36 0.071 0.667 0.167 3.199     379.476     380.000       9.544    8 
+    700000      140000.00      39.382       1.742      41.124   7.52 0.000 1.000 0.136 1.619     357.291     380.000      12.258    8 
+    710000      142000.00      28.941       3.556      32.496   7.15 0.214 0.000 0.152 2.254     262.564     370.000      10.032    8 
+    720000      144000.00      34.130       9.861      43.991   9.04 0.214 0.000 0.152 2.314     309.649     370.000      11.903    8 
+    730000      146000.00      43.172      -6.094      37.078   5.73 0.071 0.857 0.318 1.447     391.675     370.000       7.520    8 
+    740000      148000.00      31.074     -11.732      19.342   6.85 0.143 0.333 0.152 1.487     281.922     370.000      10.876    8 
+    750000      150000.00      36.988       6.230      43.219   4.21 0.143 0.600 0.336 1.589     335.579     370.000       8.250    8 
+    760000      152000.00      30.655     -10.015      20.640   8.29 0.143 0.333 0.182 1.763     278.121     370.000      12.175    8 
+    770000      154000.00      42.711      -6.192      36.519   5.43 0.214 0.400 0.155 1.289     387.496     370.000       8.789    8 
+    780000      156000.00      35.800      -4.466      31.334   5.85 0.071 0.750 0.250 2.490     324.795     370.000       9.503    8 
+    790000      158000.00      36.674      -3.755      32.919   5.26 0.000 1.000 0.473 3.098     332.722     370.000       7.442    8 
+    800000      160000.00      29.134       8.220      37.353   6.18 0.071 0.000 0.182 1.966     264.314     370.000      10.378    8 
+    810000      162000.00      41.508       8.842      50.351   6.81 0.000 1.000 0.318 1.569     376.586     400.000       7.804    8 
+    820000      164000.00      49.388      16.225      65.613   7.25 0.000 1.000 0.205 1.536     448.069     400.000      10.738    8 
+    830000      166000.00      30.976       8.369      39.345   5.97 0.000 1.000 0.182 2.270     281.031     400.000       8.828    8 
+    840000      168000.00      40.813       2.620      43.433   8.67 0.143 0.500 0.182 1.951     370.279     400.000      12.640    8 
+    850000      170000.00      40.535      15.893      56.429   9.19 0.000 1.000 0.205 2.625     367.758     400.000      11.801    8 
+    860000      172000.00      36.230      -0.125      36.106   6.14 0.143 0.667 0.265 1.807     328.700     400.000       7.823    8 
+    870000      174000.00      41.177       4.342      45.519   7.10 0.000   NaN   NaN 2.963     373.581     400.000      11.786    8 
+    880000      176000.00      30.394      13.616      44.010   8.63 0.071 0.500 0.227 2.860     275.746     400.000      11.752    8 
+    890000      178000.00      45.189      -1.676      43.513   9.01 0.071 0.000 0.136 1.092     409.981     400.000      11.605    8 
+    900000      180000.00      36.468       7.877      44.346   5.93 0.071 0.667 0.258 2.517     330.858     400.000       8.981    8 
+    910000      182000.00      36.743      -6.433      30.311   5.19 0.000 1.000 0.409 2.627     333.353     390.000       8.316    8 
+    920000      184000.00      38.476      -2.126      36.349   6.60 0.071 0.800 0.264 1.151     349.073     390.000       8.698    8 
+    930000      186000.00      34.856       9.051      43.907   8.38 0.000 1.000 0.318 1.883     316.229     390.000      11.991    8 
+    940000      188000.00      39.440       6.339      45.780   7.56 0.071 0.857 0.253 1.960     357.823     390.000      10.709    8 
+    950000      190000.00      36.544       3.923      40.467   5.98 0.071 0.857 0.299 5.231     331.545     390.000       7.964    8 
+    960000      192000.00      27.167       2.296      29.463  11.64 0.000   NaN   NaN 2.119     246.472     390.000      14.786    8 
+    970000      194000.00      39.215      10.497      49.712   5.13 0.000   NaN   NaN 2.194     355.783     390.000       9.422    8 
+    980000      196000.00      44.318       3.130      47.448   6.49 0.000 1.000 0.205 2.616     402.073     390.000       9.418    8 
+    990000      198000.00      45.863      -1.424      44.438   5.18 0.000 1.000 0.341 2.315     416.090     390.000       8.599    8 
+   1000000      200000.00      48.651       3.030      51.681   7.22 0.000 1.000 0.227 1.793     441.386     390.000       9.738    8 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB009.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB009.stat
index 8897deb..fc3291a 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB009.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB009.stat
@@ -1,101 +1,101 @@
          0           0.00      32.164     667.451     699.615   0.00 1.000 0.000 0.308 8.657     291.810     340.000       7.001    9 
-     10000        2000.00      31.504     -20.054      11.449   3.73 0.214 0.400 0.391 2.425     285.817     340.000       7.913    9 
-     20000        4000.00      26.009     -22.778       3.231   3.51 0.286 0.500 0.267 1.966     235.964     340.000       7.946    9 
-     30000        6000.00      31.853     -14.438      17.415   5.80 0.071 0.750 0.170 2.728     288.984     340.000       8.008    9 
-     40000        8000.00      29.711     -12.083      17.627   4.02 0.357 0.545 0.182 1.447     269.552     340.000       7.785    9 
-     50000       10000.00      32.374      -3.132      29.242   9.39 0.071 0.500 0.136 1.310     293.715     340.000      13.533    9 
-     60000       12000.00      33.249      -4.919      28.330   4.80 0.214 0.500 0.242 1.421     301.655     340.000       8.869    9 
-     70000       14000.00      34.527     -14.328      20.200   6.34 0.071 0.750 0.352 1.233     313.251     340.000       7.961    9 
-     80000       16000.00      31.999       3.288      35.287   6.51 0.071 0.800 0.164 1.245     290.312     340.000       9.495    9 
-     90000       18000.00      30.521      -7.190      23.332   4.90 0.143 0.714 0.338 2.166     276.907     340.000       8.386    9 
-    100000       20000.00      32.740      -7.863      24.877   5.32 0.071 0.750 0.295 2.016     297.031     340.000       8.372    9 
-    110000       22000.00      39.388      -3.190      36.198   9.67 0.071 0.500 0.159 2.313     357.346     340.000      13.243    9 
-    120000       24000.00      38.568     -14.005      24.563   4.20 0.143 0.667 0.447 2.866     349.906     340.000       7.652    9 
-    130000       26000.00      25.542     -13.531      12.011   4.66 0.214 0.700 0.336 1.590     231.733     340.000       7.054    9 
-    140000       28000.00      37.698     -22.519      15.179   7.01 0.214 0.500 0.235 1.028     342.015     340.000       7.713    9 
-    150000       30000.00      28.687     -14.295      14.392   4.03 0.214 0.571 0.331 1.124     260.264     340.000       7.719    9 
-    160000       32000.00      37.992     -17.439      20.553   3.43 0.286 0.556 0.283 2.981     344.681     340.000       7.268    9 
-    170000       34000.00      24.529     -19.891       4.638   4.98 0.214 0.700 0.441 2.016     222.541     340.000       7.301    9 
-    180000       36000.00      37.677     -12.293      25.384   6.46 0.214 0.667 0.308 2.695     341.826     340.000       7.823    9 
-    190000       38000.00      32.388      -8.269      24.119   5.02 0.143 0.333 0.182 2.409     293.839     340.000       9.408    9 
-    200000       40000.00      38.627     -10.039      28.588   6.25 0.143 0.667 0.356 4.189     350.443     340.000       8.645    9 
-    210000       42000.00      31.427      -8.658      22.769   6.42 0.143 0.600 0.255 2.189     285.124     350.000       8.301    9 
-    220000       44000.00      36.443     -17.726      18.717   7.56 0.143 0.333 0.167 1.573     330.625     350.000      11.513    9 
-    230000       46000.00      29.058      -0.390      28.668   5.31 0.000 1.000 0.420 1.134     263.629     350.000       7.894    9 
-    240000       48000.00      25.791       4.802      30.593   4.28 0.071 0.667 0.136 2.447     233.987     350.000       9.276    9 
-    250000       50000.00      38.954      -2.459      36.495   3.68 0.071 0.667 0.227 2.767     353.409     350.000       8.508    9 
-    260000       52000.00      35.374      -9.325      26.049   5.74 0.071 0.833 0.220 2.700     320.929     350.000       8.005    9 
-    270000       54000.00      31.584      -9.715      21.870   6.17 0.071 0.889 0.419 1.868     286.550     350.000       7.837    9 
-    280000       56000.00      30.878      -9.433      21.445   4.88 0.000 1.000 0.618 1.662     280.144     350.000       7.719    9 
-    290000       58000.00      27.208      -2.502      24.706   5.53 0.000 1.000 0.273 2.322     246.842     350.000       9.374    9 
-    300000       60000.00      38.308     -13.658      24.650   4.44 0.286 0.556 0.359 1.474     347.549     350.000       8.159    9 
-    310000       62000.00      31.075     -24.385       6.691   4.56 0.071 0.833 0.227 1.667     281.933     340.000       8.513    9 
-    320000       64000.00      35.440     -19.487      15.953   4.94 0.143 0.600 0.227 1.305     321.528     340.000       7.399    9 
-    330000       66000.00      32.330     -16.197      16.133   5.67 0.071 0.800 0.464 1.968     293.316     340.000       7.042    9 
-    340000       68000.00      28.817      -1.658      27.159   5.34 0.071 0.667 0.212 1.191     261.442     340.000       9.448    9 
-    350000       70000.00      37.281     -10.824      26.457   5.11 0.071 0.667 0.167 1.531     338.235     340.000       8.232    9 
-    360000       72000.00      35.609     -14.717      20.892   6.62 0.071 0.800 0.282 2.044     323.062     340.000       7.647    9 
-    370000       74000.00      33.771     -12.072      21.698   5.78 0.143 0.800 0.305 2.582     306.384     340.000       7.207    9 
-    380000       76000.00      32.295      -8.679      23.616   5.97 0.071 0.889 0.480 1.780     292.996     340.000       7.214    9 
-    390000       78000.00      29.079      -8.793      20.285   5.32 0.071 0.667 0.348 1.052     263.815     340.000       9.170    9 
-    400000       80000.00      33.134     -26.411       6.723   5.20 0.286 0.500 0.341 1.725     300.608     340.000       8.251    9 
-    410000       82000.00      31.363     -23.198       8.164   7.70 0.214 0.500 0.182 2.834     284.538     330.000      10.446    9 
-    420000       84000.00      34.438      -9.779      24.659   7.15 0.143 0.000 0.136 1.194     312.440     330.000      10.657    9 
-    430000       86000.00      33.024     -16.885      16.139   5.53 0.071 0.889 0.298 1.998     299.608     330.000       6.992    9 
-    440000       88000.00      32.571      -0.810      31.761   8.21 0.071 0.667 0.212 1.531     295.499     330.000      10.585    9 
-    450000       90000.00      34.896     -11.660      23.236   6.02 0.143 0.750 0.199 1.608     316.596     330.000       8.686    9 
-    460000       92000.00      31.952     -21.401      10.551   3.76 0.071 0.875 0.261 2.450     289.882     330.000       7.186    9 
-    470000       94000.00      34.507      -9.037      25.470   3.72 0.286 0.500 0.290 1.798     313.069     330.000       7.609    9 
-    480000       96000.00      33.884     -16.165      17.719   6.84 0.143 0.667 0.258 1.765     307.413     330.000       8.163    9 
-    490000       98000.00      28.656     -11.517      17.139   5.70 0.286 0.429 0.169 1.431     259.978     330.000       8.634    9 
-    500000      100000.00      38.244     -16.054      22.190   5.31 0.214 0.000 0.288 1.876     346.969     330.000       8.716    9 
-    510000      102000.00      26.837     -11.941      14.896   8.33 0.143 0.500 0.148 2.387     243.481     320.000      11.817    9 
-    520000      104000.00      33.918     -12.831      21.087   3.22 0.286 0.200 0.345 1.681     307.721     320.000       7.650    9 
-    530000      106000.00      29.318     -14.841      14.477   5.50 0.071 0.750 0.364 1.624     265.991     320.000       7.161    9 
-    540000      108000.00      34.981     -36.427      -1.446   4.44 0.286 0.692 0.283 1.793     317.364     320.000       7.092    9 
-    550000      110000.00      36.223     -19.516      16.707   6.76 0.071 0.667 0.182 0.848     328.636     320.000       9.323    9 
-    560000      112000.00      38.071     -20.401      17.670   5.38 0.143 0.600 0.418 1.755     345.402     320.000       7.090    9 
-    570000      114000.00      28.860     -19.629       9.231   4.89 0.143 0.714 0.208 2.018     261.837     320.000       7.519    9 
-    580000      116000.00      25.556     -22.407       3.149   4.24 0.071 0.923 0.392 1.417     231.858     320.000       7.158    9 
-    590000      118000.00      31.011     -19.123      11.888   3.89 0.143 0.750 0.415 3.989     281.349     320.000       7.884    9 
-    600000      120000.00      33.965     -30.185       3.780   4.78 0.143 0.667 0.303 1.684     308.152     320.000       6.926    9 
-    610000      122000.00      27.952     -37.119      -9.167   2.89 0.357 0.615 0.297 2.341     253.596     310.000       6.760    9 
-    620000      124000.00      30.874     -27.021       3.852   3.72 0.214 0.500 0.364 1.159     280.100     310.000       7.649    9 
-    630000      126000.00      29.845     -32.288      -2.443   3.84 0.357 0.615 0.455 1.629     270.771     310.000       6.761    9 
-    640000      128000.00      27.480     -30.580      -3.100   4.23 0.214 0.667 0.333 1.983     249.310     310.000       6.678    9 
-    650000      130000.00      30.662     -27.950       2.712   6.36 0.143 0.778 0.202 1.236     278.178     310.000       8.757    9 
-    660000      132000.00      25.496     -24.301       1.195   4.64 0.143 0.667 0.189 1.103     231.316     310.000       7.520    9 
-    670000      134000.00      34.442     -20.563      13.878   3.93 0.357 0.643 0.367 1.188     312.472     310.000       6.698    9 
-    680000      136000.00      31.291     -20.238      11.054   3.83 0.286 0.429 0.162 1.670     283.888     310.000       7.391    9 
-    690000      138000.00      38.223     -21.390      16.833   5.31 0.286 0.556 0.182 1.364     346.779     310.000      10.005    9 
-    700000      140000.00      23.184     -30.041      -6.857   5.94 0.071 0.833 0.280 0.937     210.337     310.000       7.400    9 
-    710000      142000.00      30.878     -30.016       0.862   5.60 0.214 0.727 0.331 1.464     280.140     330.000       7.143    9 
-    720000      144000.00      25.248     -22.464       2.784   4.92 0.000 1.000 0.282 2.002     229.060     330.000       7.247    9 
-    730000      146000.00      34.266     -11.900      22.366   5.70 0.214 0.571 0.390 2.664     310.879     330.000       7.556    9 
-    740000      148000.00      29.653       0.638      30.292   6.60 0.143 0.333 0.182 1.671     269.030     330.000      10.979    9 
-    750000      150000.00      27.192      -0.424      26.768   7.54 0.214 0.500 0.220 1.114     246.704     330.000      10.292    9 
-    760000      152000.00      40.334     -14.049      26.285   8.56 0.000 1.000 0.273 1.965     365.929     330.000      10.222    9 
-    770000      154000.00      35.457     -20.594      14.864   6.74 0.071 0.750 0.205 0.940     321.689     330.000       9.759    9 
-    780000      156000.00      27.074     -26.968       0.107   5.68 0.143 0.667 0.364 0.508     245.634     330.000       7.296    9 
-    790000      158000.00      26.937     -15.789      11.148   4.72 0.143 0.667 0.447 1.316     244.386     330.000       8.874    9 
-    800000      160000.00      39.098     -10.827      28.271   5.57 0.214 0.400 0.218 2.230     354.716     330.000       8.071    9 
-    810000      162000.00      38.419      -4.940      33.478   5.06 0.000 1.000 0.400 1.926     348.553     350.000       8.149    9 
-    820000      164000.00      42.782     -10.334      32.447   3.69 0.071 0.750 0.523 1.650     388.138     350.000       7.891    9 
-    830000      166000.00      41.246      -2.392      38.854   9.89 0.143 0.333 0.136 1.067     374.204     350.000      12.307    9 
-    840000      168000.00      29.697       0.382      30.080   8.96 0.143 0.500 0.148 2.814     269.429     350.000      11.718    9 
-    850000      170000.00      42.999     -21.029      21.970   5.96 0.071 0.667 0.273 1.951     390.109     350.000       8.634    9 
-    860000      172000.00      32.349       0.626      32.975  10.91 0.071 0.000 0.136 0.902     293.490     350.000      13.821    9 
-    870000      174000.00      35.501      -2.328      33.172   7.89 0.000 1.000 0.182 2.099     322.082     350.000      11.493    9 
-    880000      176000.00      36.780       1.800      38.580   4.52 0.143 0.818 0.289 1.718     333.688     350.000       8.310    9 
-    890000      178000.00      29.729      -7.479      22.250   4.54 0.000 1.000 0.386 1.514     269.717     350.000       7.704    9 
-    900000      180000.00      37.443     -23.034      14.409   5.37 0.071 0.833 0.311 1.089     339.698     350.000       7.849    9 
-    910000      182000.00      37.234     -26.845      10.388   5.40 0.143 0.778 0.318 2.323     337.804     340.000       7.318    9 
-    920000      184000.00      31.783      -9.181      22.603   4.85 0.214 0.800 0.391 1.567     288.356     340.000       7.047    9 
-    930000      186000.00      37.832      -6.423      31.409   4.47 0.143 0.333 0.212 1.877     343.232     340.000       8.731    9 
-    940000      188000.00      38.435     -10.638      27.797   5.23 0.071 0.000 0.136 1.712     348.703     340.000       9.795    9 
-    950000      190000.00      36.437      -1.857      34.580   7.40 0.143 0.714 0.227 2.474     330.576     340.000       9.000    9 
-    960000      192000.00      28.239      -7.315      20.925   5.66 0.071 0.750 0.318 1.493     256.203     340.000       8.356    9 
-    970000      194000.00      29.858     -25.151       4.707   6.78 0.286 0.333 0.159 2.456     270.885     340.000      10.225    9 
-    980000      196000.00      41.446     -12.062      29.384   9.13 0.429 0.143 0.169 2.957     376.021     340.000      11.879    9 
-    990000      198000.00      35.770      -6.772      28.998   7.58 0.143 0.333 0.167 3.680     324.523     340.000      11.628    9 
-   1000000      200000.00      36.301     -15.574      20.727   6.12 0.071 0.800 0.282 1.682     329.342     340.000       8.400    9 
+     10000        2000.00      32.736      -5.658      27.078   5.92 0.000   NaN   NaN 1.449     296.998     340.000       9.817    9 
+     20000        4000.00      26.494     -13.660      12.833   6.34 0.286 0.556 0.202 1.275     240.364     340.000       7.580    9 
+     30000        6000.00      37.524     -24.429      13.095   4.99 0.143 0.600 0.391 0.945     340.435     340.000       7.451    9 
+     40000        8000.00      30.380     -13.980      16.400   9.61 0.143 0.500 0.136 4.077     275.624     340.000      13.287    9 
+     50000       10000.00      29.509     -11.619      17.890   6.84 0.143 0.818 0.264 2.426     267.722     340.000       7.769    9 
+     60000       12000.00      35.158     -17.083      18.075   4.34 0.000 1.000 0.403 1.720     318.973     340.000       7.668    9 
+     70000       14000.00      34.808      -9.169      25.640   6.07 0.071 0.667 0.182 1.132     315.798     340.000       9.281    9 
+     80000       16000.00      32.195     -14.128      18.067   5.76 0.071 0.750 0.193 0.957     292.092     340.000       9.474    9 
+     90000       18000.00      25.664       8.160      33.825   8.77 0.071 0.667 0.152 2.317     232.840     340.000      11.469    9 
+    100000       20000.00      32.918      -7.557      25.361   5.12 0.071 0.900 0.436 1.735     298.649     340.000       7.391    9 
+    110000       22000.00      38.327     -12.599      25.728   4.98 0.143 0.667 0.379 2.373     347.723     340.000       7.271    9 
+    120000       24000.00      41.230     -27.629      13.601   4.67 0.143 0.667 0.265 2.306     374.059     340.000       7.395    9 
+    130000       26000.00      24.347       5.135      29.482   6.91 0.071 0.800 0.236 3.447     220.890     340.000      10.393    9 
+    140000       28000.00      35.755     -13.682      22.073   6.11 0.071 0.875 0.443 1.126     324.392     340.000       6.593    9 
+    150000       30000.00      28.086     -20.265       7.821   5.57 0.143 0.714 0.208 1.019     254.810     340.000       8.255    9 
+    160000       32000.00      38.465      -2.415      36.050   7.99 0.143 0.600 0.291 1.817     348.970     340.000       9.180    9 
+    170000       34000.00      24.956     -12.372      12.584  10.87 0.071 0.000 0.136 1.062     226.418     340.000      14.233    9 
+    180000       36000.00      33.275     -15.799      17.475   5.56 0.143 0.667 0.402 2.189     301.887     340.000       9.124    9 
+    190000       38000.00      30.464       2.481      32.946   4.51 0.071 0.800 0.236 2.021     276.388     340.000       8.279    9 
+    200000       40000.00      44.847     -16.585      28.262   7.06 0.071 0.667 0.136 1.981     406.877     340.000       9.823    9 
+    210000       42000.00      32.314      -8.456      23.858   7.04 0.143 0.500 0.239 2.255     293.169     330.000       9.704    9 
+    220000       44000.00      30.608     -10.035      20.573   6.72 0.071 0.857 0.221 1.715     277.689     330.000       8.585    9 
+    230000       46000.00      30.479     -23.396       7.083   5.97 0.143 0.778 0.338 1.342     276.522     330.000       7.250    9 
+    240000       48000.00      25.136     -16.290       8.845   5.71 0.143 0.600 0.364 1.572     228.044     330.000       7.866    9 
+    250000       50000.00      37.286     -10.929      26.357   5.71 0.071 0.857 0.344 1.529     338.278     330.000       8.468    9 
+    260000       52000.00      32.293     -24.606       7.687   6.87 0.286 0.556 0.227 2.003     292.980     330.000       7.330    9 
+    270000       54000.00      31.454     -10.789      20.665   4.98 0.000 1.000 0.591 3.015     285.362     330.000       8.398    9 
+    280000       56000.00      27.150     -12.814      14.336   5.31 0.000 1.000 0.426 1.484     246.322     330.000       7.253    9 
+    290000       58000.00      31.382     -14.542      16.840   6.17 0.143 0.667 0.258 1.967     284.715     330.000       8.630    9 
+    300000       60000.00      38.926     -15.122      23.804   5.37 0.143 0.714 0.214 1.066     353.157     330.000       8.469    9 
+    310000       62000.00      31.475     -23.662       7.814   4.32 0.143 0.600 0.382 1.246     285.562     330.000       7.322    9 
+    320000       64000.00      30.009     -26.369       3.640   4.15 0.143 0.846 0.276 2.281     272.262     330.000       7.522    9 
+    330000       66000.00      29.950     -17.627      12.323   7.45 0.000 1.000 0.173 3.093     271.723     330.000       8.429    9 
+    340000       68000.00      25.655     -17.477       8.178   5.08 0.286 0.636 0.260 1.624     232.756     330.000       7.865    9 
+    350000       70000.00      33.546     -10.994      22.551   4.44 0.143 0.333 0.167 1.490     304.342     330.000       8.071    9 
+    360000       72000.00      32.889      -7.647      25.242   4.77 0.214 0.500 0.227 0.975     298.382     330.000       7.745    9 
+    370000       74000.00      35.770      -5.422      30.348   8.37 0.071 0.667 0.152 1.661     324.520     330.000      12.019    9 
+    380000       76000.00      31.472      -5.518      25.954   9.86 0.071 0.750 0.136 1.405     285.528     330.000      12.872    9 
+    390000       78000.00      21.596      -8.958      12.638   4.66 0.071 0.500 0.205 1.144     195.932     330.000       9.117    9 
+    400000       80000.00      28.099     -26.318       1.781   3.25 0.429 0.500 0.413 1.291     254.932     330.000       6.712    9 
+    410000       82000.00      31.936     -20.353      11.583   1.58 0.429 0.400 0.327 1.899     289.743     320.000       7.125    9 
+    420000       84000.00      29.144     -17.842      11.302   3.83 0.071 0.833 0.182 1.466     264.410     320.000       8.171    9 
+    430000       86000.00      30.893     -28.882       2.011   3.59 0.286 0.667 0.379 1.667     280.278     320.000       6.727    9 
+    440000       88000.00      28.066     -12.948      15.117   4.44 0.071 0.750 0.148 0.673     254.626     320.000       8.682    9 
+    450000       90000.00      31.831     -24.341       7.491   4.63 0.214 0.571 0.195 1.773     288.790     320.000       8.068    9 
+    460000       92000.00      30.189     -23.224       6.965   7.63 0.143 0.500 0.159 3.678     273.893     320.000      10.417    9 
+    470000       94000.00      41.745     -13.161      28.584   7.14 0.214 0.625 0.227 2.468     378.735     320.000       8.278    9 
+    480000       96000.00      36.119     -21.924      14.195   7.25 0.214 0.727 0.285 2.950     327.693     320.000       7.737    9 
+    490000       98000.00      30.151      -6.498      23.654   7.56 0.071 0.500 0.136 2.532     273.549     320.000      10.791    9 
+    500000      100000.00      39.230     -23.884      15.346   3.99 0.214 0.625 0.318 0.697     355.911     320.000       7.857    9 
+    510000      102000.00      26.621     -16.896       9.725   6.06 0.214 0.400 0.182 3.209     241.523     310.000       7.921    9 
+    520000      104000.00      35.836      -8.622      27.214   7.33 0.214 0.571 0.253 1.281     325.126     310.000       9.289    9 
+    530000      106000.00      31.778     -27.315       4.463   4.30 0.214 0.500 0.197 1.422     288.307     310.000       7.875    9 
+    540000      108000.00      28.260     -32.750      -4.490   5.66 0.286 0.600 0.255 2.672     256.390     310.000       7.080    9 
+    550000      110000.00      33.184     -36.485      -3.302   5.65 0.357 0.444 0.253 1.083     301.060     310.000       7.281    9 
+    560000      112000.00      36.453     -28.848       7.606   5.97 0.357 0.583 0.288 1.450     330.723     310.000       6.937    9 
+    570000      114000.00      30.845     -13.373      17.472   5.83 0.214 0.625 0.369 1.976     279.842     310.000       7.046    9 
+    580000      116000.00      27.569     -28.745      -1.176   5.65 0.143 0.818 0.343 0.968     250.119     310.000       6.560    9 
+    590000      118000.00      26.677     -28.872      -2.196   2.94 0.143 0.714 0.286 1.715     242.026     310.000       7.102    9 
+    600000      120000.00      34.756     -29.627       5.129   4.91 0.286 0.600 0.350 2.208     315.327     310.000       7.499    9 
+    610000      122000.00      29.699     -20.807       8.892   5.23 0.357 0.375 0.386 2.335     269.442     330.000       8.430    9 
+    620000      124000.00      30.422     -10.659      19.763   6.14 0.000 1.000 0.273 0.989     276.004     330.000       8.939    9 
+    630000      126000.00      32.193     -13.883      18.309   4.79 0.143 0.600 0.173 1.926     292.068     330.000       9.546    9 
+    640000      128000.00      26.775     -14.560      12.215   5.55 0.071 0.900 0.395 1.330     242.913     330.000       7.471    9 
+    650000      130000.00      28.176     -28.658      -0.482   5.11 0.214 0.700 0.395 2.554     255.629     330.000       7.121    9 
+    660000      132000.00      26.388     -18.175       8.214   5.18 0.214 0.700 0.286 1.674     239.409     330.000       7.527    9 
+    670000      134000.00      41.315     -14.979      26.336   7.17 0.286 0.600 0.186 1.984     374.831     330.000      10.235    9 
+    680000      136000.00      30.609      -5.908      24.701   6.54 0.214 0.500 0.174 1.436     277.700     330.000       9.998    9 
+    690000      138000.00      33.329     -22.646      10.683   3.51 0.214 0.727 0.281 1.914     302.378     330.000       7.420    9 
+    700000      140000.00      24.031     -20.326       3.705   5.14 0.286 0.200 0.200 1.328     218.025     330.000       7.869    9 
+    710000      142000.00      33.748     -11.804      21.944   6.88 0.071 0.750 0.159 1.215     306.178     330.000      10.794    9 
+    720000      144000.00      29.443      -1.272      28.171   5.51 0.071 0.500 0.250 1.516     267.120     330.000       9.423    9 
+    730000      146000.00      39.885     -18.632      21.253   5.94 0.286 0.600 0.209 2.740     361.862     330.000       8.922    9 
+    740000      148000.00      32.028      -9.492      22.536   5.98 0.000 1.000 0.182 1.525     290.576     330.000       8.092    9 
+    750000      150000.00      31.109      -8.440      22.670   4.81 0.214 0.500 0.417 2.766     282.241     330.000       8.270    9 
+    760000      152000.00      37.740     -28.408       9.332   4.38 0.214 0.400 0.327 1.546     342.395     330.000       8.152    9 
+    770000      154000.00      31.291     -22.385       8.905   4.20 0.214 0.625 0.472 1.847     283.884     330.000       6.690    9 
+    780000      156000.00      25.524     -18.368       7.156   5.70 0.143 0.778 0.369 1.355     231.564     330.000       8.294    9 
+    790000      158000.00      28.384     -12.858      15.527   9.43 0.214 0.400 0.155 1.277     257.518     330.000      12.345    9 
+    800000      160000.00      36.917     -13.339      23.578   8.25 0.143 0.333 0.167 1.880     334.933     330.000      12.057    9 
+    810000      162000.00      34.768     -10.683      24.085   5.81 0.143 0.500 0.205 1.067     315.434     320.000      10.466    9 
+    820000      164000.00      35.943     -14.634      21.309   5.98 0.214 0.400 0.173 2.673     326.093     320.000       9.496    9 
+    830000      166000.00      40.022     -18.759      21.264   5.62 0.286 0.600 0.323 2.122     363.103     320.000       7.135    9 
+    840000      168000.00      22.854     -23.687      -0.833   4.70 0.286 0.667 0.375 1.764     207.347     320.000       7.532    9 
+    850000      170000.00      38.180     -20.331      17.849   6.52 0.143 0.750 0.267 1.251     346.387     320.000       7.828    9 
+    860000      172000.00      29.113     -30.683      -1.569   6.31 0.214 0.625 0.375 1.144     264.132     320.000       7.004    9 
+    870000      174000.00      28.124     -15.020      13.105   6.24 0.143 0.600 0.282 1.580     255.159     320.000       7.897    9 
+    880000      176000.00      30.645      -7.993      22.653   4.65 0.214 0.400 0.164 2.986     278.031     320.000       8.523    9 
+    890000      178000.00      23.150     -20.615       2.535   7.51 0.143 0.500 0.159 0.923     210.028     320.000      10.975    9 
+    900000      180000.00      32.138     -26.451       5.687   5.00 0.286 0.200 0.173 0.982     291.575     320.000       7.832    9 
+    910000      182000.00      31.719     -12.134      19.585   4.66 0.286 0.429 0.325 1.438     287.774     320.000       7.563    9 
+    920000      184000.00      29.782     -15.095      14.687   6.06 0.143 0.714 0.227 1.272     270.200     320.000       7.372    9 
+    930000      186000.00      34.706     -25.293       9.413   4.89 0.143 0.800 0.368 2.667     314.872     320.000       7.775    9 
+    940000      188000.00      34.561     -26.473       8.088   6.60 0.143 0.800 0.205 1.912     313.553     320.000       7.150    9 
+    950000      190000.00      35.062     -18.705      16.356   5.35 0.286 0.600 0.195 3.859     318.098     320.000       8.038    9 
+    960000      192000.00      27.625     -34.655      -7.030   5.70 0.214 0.667 0.313 0.871     250.629     320.000       6.795    9 
+    970000      194000.00      24.614     -22.594       2.020   3.95 0.286 0.636 0.355 3.188     223.310     320.000       7.337    9 
+    980000      196000.00      41.805     -21.087      20.718   5.89 0.143 0.750 0.312 3.144     379.277     320.000       7.398    9 
+    990000      198000.00      37.234     -22.223      15.011   4.19 0.214 0.400 0.173 1.075     337.810     320.000       8.447    9 
+   1000000      200000.00      36.848     -29.726       7.123   5.24 0.214 0.727 0.401 1.721     334.305     320.000       7.256    9 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB010.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
index 6840a53..bd42e9d 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
@@ -1,101 +1,101 @@
          0           0.00      40.002     668.455     708.457   0.00 1.000 0.000 0.308 8.656     362.917     350.000       7.001   10 
-     10000        2000.00      34.399      -8.013      26.386   5.87 0.214 0.571 0.208 1.037     312.081     350.000       7.356   10 
-     20000        4000.00      29.719       5.824      35.543   6.30 0.214 0.000 0.152 2.012     269.626     350.000      10.080   10 
-     30000        6000.00      30.878     -15.039      15.840   5.73 0.143 0.818 0.318 2.555     280.145     350.000       6.765   10 
-     40000        8000.00      25.334      -6.965      18.369   6.08 0.214 0.400 0.364 1.776     229.846     350.000       7.757   10 
-     50000       10000.00      33.785     -15.890      17.895   5.99 0.286 0.333 0.159 1.417     306.511     350.000       9.628   10 
-     60000       12000.00      37.090     -16.812      20.277   2.99 0.214 0.625 0.290 1.775     336.497     350.000       7.064   10 
-     70000       14000.00      29.094       2.246      31.340   5.92 0.143 0.333 0.167 1.745     263.958     350.000       9.859   10 
-     80000       16000.00      39.037     -16.566      22.471   5.33 0.071 0.857 0.416 2.540     354.163     350.000       8.165   10 
-     90000       18000.00      28.010      -3.558      24.452   7.72 0.071 0.500 0.136 1.975     254.119     350.000      10.926   10 
-    100000       20000.00      26.443       2.516      28.959   8.72 0.071 0.800 0.182 2.266     239.900     350.000      10.778   10 
-    110000       22000.00      27.644     -16.853      10.791   5.80 0.143 0.714 0.253 3.313     250.801     380.000       8.799   10 
-    120000       24000.00      42.268     -11.769      30.499  10.04 0.071 0.000 0.136 1.429     383.474     380.000      14.315   10 
-    130000       26000.00      30.458       5.032      35.490   5.58 0.000 1.000 0.182 2.713     276.334     380.000       8.949   10 
-    140000       28000.00      39.471      -1.597      37.874   6.56 0.071 0.000 0.182 1.768     358.105     380.000      10.467   10 
-    150000       30000.00      31.451      -3.393      28.058   4.95 0.143 0.600 0.245 1.652     285.342     380.000       8.274   10 
-    160000       32000.00      39.192      -3.313      35.878   5.14 0.143 0.333 0.394 2.883     355.568     380.000       8.422   10 
-    170000       34000.00      29.450       7.866      37.316   8.34 0.143 0.333 0.152 1.967     267.184     380.000      12.485   10 
-    180000       36000.00      36.480       2.680      39.160   8.21 0.000 1.000 0.227 1.727     330.964     380.000      10.189   10 
-    190000       38000.00      30.336       5.592      35.928   7.65 0.000   NaN   NaN 1.402     275.226     380.000       8.873   10 
-    200000       40000.00      38.356      -5.955      32.401   5.34 0.143 0.714 0.214 0.694     347.982     380.000       8.733   10 
-    210000       42000.00      47.396      -5.285      42.111   4.93 0.000 1.000 0.470 2.108     429.998     370.000       7.978   10 
-    220000       44000.00      38.468      -9.328      29.141   3.78 0.286 0.636 0.293 1.371     349.005     370.000       6.991   10 
-    230000       46000.00      38.161       0.672      38.833   6.72 0.143 0.333 0.167 4.299     346.213     370.000      10.934   10 
-    240000       48000.00      33.627     -12.682      20.946   4.44 0.071 0.800 0.364 3.577     305.084     370.000       7.696   10 
-    250000       50000.00      36.434      -7.570      28.864   4.54 0.071 0.500 0.136 1.967     330.548     370.000       8.418   10 
-    260000       52000.00      30.926      -1.255      29.671   8.69 0.286 0.200 0.155 1.180     280.575     370.000      11.347   10 
-    270000       54000.00      30.923      -5.371      25.552   6.90 0.143 0.600 0.227 1.706     280.550     370.000      10.094   10 
-    280000       56000.00      35.334      -0.179      35.155   5.14 0.071 0.750 0.455 0.206     320.568     370.000       8.534   10 
-    290000       58000.00      40.303      14.758      55.061   6.66 0.000 1.000 0.455 2.766     365.651     370.000       9.292   10 
-    300000       60000.00      35.471       7.729      43.200   7.29 0.000   NaN   NaN 1.205     321.811     370.000      11.810   10 
-    310000       62000.00      31.868       1.873      33.741   5.26 0.214 0.500 0.197 2.806     289.119     360.000       8.149   10 
-    320000       64000.00      38.660       0.031      38.690   9.17 0.071 0.000 0.182 2.780     350.741     360.000      11.860   10 
-    330000       66000.00      43.642      -8.837      34.805   4.50 0.214 0.700 0.491 2.197     395.946     360.000       7.406   10 
-    340000       68000.00      33.527     -18.299      15.228   5.33 0.000 1.000 0.500 1.387     304.177     360.000       7.600   10 
-    350000       70000.00      37.301      -6.774      30.526   4.95 0.000 1.000 0.485 1.792     338.411     360.000       7.799   10 
-    360000       72000.00      36.482     -11.015      25.466   4.96 0.143 0.800 0.318 1.510     330.979     360.000       7.612   10 
-    370000       74000.00      41.720     -12.533      29.187   6.77 0.071 0.000 0.182 2.932     378.505     360.000      10.503   10 
-    380000       76000.00      31.056      -4.825      26.231   5.88 0.143 0.000 0.159 2.252     281.754     360.000       9.823   10 
-    390000       78000.00      39.286       3.696      42.982   7.42 0.000   NaN   NaN 2.046     356.423     360.000      10.526   10 
-    400000       80000.00      31.914      -0.230      31.683   6.42 0.143 0.500 0.216 3.867     289.536     360.000       8.107   10 
-    410000       82000.00      36.138     -24.568      11.570   4.92 0.071 0.857 0.331 1.385     327.863     350.000       7.830   10 
-    420000       84000.00      41.253      -3.003      38.250   7.26 0.071 0.750 0.216 1.905     374.265     350.000      10.448   10 
-    430000       86000.00      32.394     -18.302      14.092   4.84 0.000 1.000 0.580 2.309     293.897     350.000       8.184   10 
-    440000       88000.00      40.342      11.538      51.880   9.59 0.000   NaN   NaN 1.659     366.004     350.000      12.872   10 
-    450000       90000.00      30.754      -4.754      26.000   4.32 0.214 0.400 0.164 2.077     279.013     350.000       9.636   10 
-    460000       92000.00      25.305      -3.195      22.110   6.04 0.000 1.000 0.227 1.468     229.577     350.000       8.697   10 
-    470000       94000.00      30.230      -5.312      24.917   3.40 0.214 0.700 0.364 1.218     274.260     350.000       7.553   10 
-    480000       96000.00      43.513      10.786      54.299   8.14 0.000   NaN   NaN 1.743     394.770     350.000      13.004   10 
-    490000       98000.00      32.949     -16.151      16.797   4.57 0.143 0.750 0.290 1.455     298.926     350.000       7.287   10 
-    500000      100000.00      40.601      -8.008      32.593   7.02 0.286 0.500 0.210 1.719     368.352     350.000       7.560   10 
-    510000      102000.00      41.461      13.787      55.248   7.18 0.071 0.500 0.136 1.161     376.158     400.000      10.929   10 
-    520000      104000.00      45.525      10.936      56.461   9.33 0.000 1.000 0.227 1.236     413.023     400.000      13.160   10 
-    530000      106000.00      33.391       5.798      39.189   7.44 0.143 0.333 0.167 2.047     302.941     400.000       9.566   10 
-    540000      108000.00      40.373      11.581      51.954   5.90 0.000   NaN   NaN 1.753     366.284     400.000       9.717   10 
-    550000      110000.00      37.493      12.610      50.103   5.40 0.071 0.750 0.261 4.085     340.158     400.000       7.867   10 
-    560000      112000.00      31.864       6.045      37.909   7.13 0.000 1.000 0.182 1.641     289.084     400.000       9.883   10 
-    570000      114000.00      39.108       6.356      45.464   9.58 0.071 0.500 0.159 2.637     354.811     400.000      12.905   10 
-    580000      116000.00      28.005       4.868      32.872   5.62 0.071 0.667 0.273 1.539     254.072     400.000       7.600   10 
-    590000      118000.00      44.336      -4.329      40.007   6.79 0.143 0.333 0.182 1.624     402.243     400.000       8.869   10 
-    600000      120000.00      41.128      -4.816      36.312   4.48 0.071 0.500 0.182 1.986     373.131     400.000       9.037   10 
-    610000      122000.00      49.403       7.816      57.218   7.36 0.071 0.000 0.182 3.413     448.208     390.000      11.509   10 
-    620000      124000.00      40.027       6.045      46.072  11.57 0.071 0.000 0.182 1.243     363.142     390.000      13.809   10 
-    630000      126000.00      44.197      -1.897      42.301   6.03 0.143 0.500 0.182 1.786     400.980     390.000       9.568   10 
-    640000      128000.00      42.174      -2.158      40.016   8.11 0.000 1.000 0.205 1.038     382.625     390.000      10.648   10 
-    650000      130000.00      33.924       0.142      34.066   8.77 0.071 0.500 0.205 2.442     307.776     390.000      10.184   10 
-    660000      132000.00      43.847      21.368      65.215   9.42 0.000 1.000 0.136 1.428     397.805     390.000      12.751   10 
-    670000      134000.00      30.512       0.970      31.483   8.54 0.071 0.667 0.212 1.383     276.822     390.000      10.013   10 
-    680000      136000.00      39.003      11.806      50.808   6.65 0.071 0.667 0.409 2.820     353.851     390.000       9.314   10 
-    690000      138000.00      41.326       5.105      46.430   9.59 0.000   NaN   NaN 2.390     374.926     390.000      12.368   10 
-    700000      140000.00      43.201       8.666      51.867   8.42 0.214 0.250 0.148 1.339     391.938     390.000      12.531   10 
-    710000      142000.00      33.590       1.139      34.729  11.60 0.143 0.000 0.136 1.601     304.747     400.000      14.533   10 
-    720000      144000.00      37.884       1.345      39.229  11.42 0.071 0.000 0.136 1.327     343.706     400.000      14.707   10 
-    730000      146000.00      38.350      13.241      51.591   4.63 0.071 0.500 0.182 3.063     347.929     400.000       8.430   10 
-    740000      148000.00      47.596       5.226      52.822   9.23 0.000   NaN   NaN 3.146     431.816     400.000      11.884   10 
-    750000      150000.00      42.110       0.416      42.527   5.15 0.071 0.500 0.386 1.832     382.048     400.000       8.417   10 
-    760000      152000.00      39.258      25.784      65.042   7.25 0.000 1.000 0.500 1.301     356.169     400.000       9.560   10 
-    770000      154000.00      41.023      10.559      51.582   6.69 0.000 1.000 0.136 1.427     372.182     400.000      10.584   10 
-    780000      156000.00      45.223       1.235      46.458   6.95 0.071 0.667 0.182 3.583     410.290     400.000       9.710   10 
-    790000      158000.00      31.679      -4.649      27.029   4.04 0.214 0.571 0.338 3.263     287.404     400.000       7.825   10 
-    800000      160000.00      35.016       2.130      37.147   4.48 0.143 0.600 0.545 1.546     317.686     400.000       7.576   10 
-    810000      162000.00      40.604       7.257      47.861   7.31 0.143 0.333 0.182 1.790     368.384     390.000      10.715   10 
-    820000      164000.00      38.671       7.394      46.065   8.18 0.000 1.000 0.227 1.877     350.843     390.000      12.373   10 
-    830000      166000.00      41.105      -3.405      37.700   4.62 0.071 0.833 0.318 1.606     372.930     390.000       8.229   10 
-    840000      168000.00      39.827       0.304      40.131   4.55 0.071 0.750 0.443 2.750     361.328     390.000       8.505   10 
-    850000      170000.00      30.033       7.855      37.888  10.26 0.000   NaN   NaN 2.971     272.475     390.000      12.982   10 
-    860000      172000.00      33.214       4.671      37.886   6.21 0.071 0.667 0.167 1.473     301.336     390.000       7.654   10 
-    870000      174000.00      34.978       5.360      40.338   7.21 0.000 1.000 0.227 2.018     317.339     390.000      11.450   10 
-    880000      176000.00      41.438       4.028      45.466   5.81 0.071 0.000 0.136 1.872     375.948     390.000      10.656   10 
-    890000      178000.00      31.246       6.029      37.275  10.42 0.143 0.333 0.167 1.420     283.481     390.000      14.157   10 
-    900000      180000.00      33.271      15.251      48.522   8.39 0.071 0.000 0.136 1.230     301.852     390.000      11.666   10 
-    910000      182000.00      31.281      -7.162      24.118   7.96 0.071 0.500 0.182 1.560     283.796     400.000       9.580   10 
-    920000      184000.00      40.299      -4.977      35.322   6.54 0.071 0.500 0.159 1.329     365.609     400.000      10.239   10 
-    930000      186000.00      40.359       9.872      50.231   7.24 0.071 0.500 0.159 1.964     366.156     400.000       9.917   10 
-    940000      188000.00      37.292      12.260      49.552   5.20 0.143 0.714 0.240 1.449     338.335     400.000       8.077   10 
-    950000      190000.00      25.375       5.703      31.079   7.63 0.071 0.000 0.182 2.548     230.220     400.000      10.415   10 
-    960000      192000.00      39.892       1.617      41.509   6.48 0.000 1.000 0.136 1.863     361.923     400.000      10.221   10 
-    970000      194000.00      36.654      10.932      47.587   9.81 0.000 1.000 0.227 1.524     332.548     400.000      12.657   10 
-    980000      196000.00      39.692       6.872      46.564   7.16 0.143 0.600 0.182 1.965     360.107     400.000      10.479   10 
-    990000      198000.00      35.841       2.347      38.188   4.51 0.071 0.750 0.205 1.454     325.168     400.000       8.262   10 
-   1000000      200000.00      32.277       6.867      39.143   5.98 0.143 0.333 0.136 2.669     292.831     400.000       9.839   10 
+     10000        2000.00      36.689       3.754      40.444   3.88 0.143 0.333 0.182 1.682     332.864     350.000       8.258   10 
+     20000        4000.00      33.032      -8.179      24.853   4.45 0.143 0.750 0.267 1.444     299.683     350.000       7.200   10 
+     30000        6000.00      31.592     -10.303      21.289   8.30 0.214 0.250 0.136 1.979     286.619     350.000      11.959   10 
+     40000        8000.00      23.294       5.035      28.329   8.84 0.071 0.000 0.136 1.752     211.333     350.000      13.476   10 
+     50000       10000.00      31.913      -7.397      24.516   3.86 0.357 0.444 0.429 2.042     289.528     350.000       7.248   10 
+     60000       12000.00      38.214      -8.010      30.204   4.32 0.214 0.700 0.359 1.674     346.694     350.000       7.623   10 
+     70000       14000.00      29.678     -11.766      17.912   4.18 0.286 0.333 0.515 1.565     269.251     350.000       8.716   10 
+     80000       16000.00      37.236       0.172      37.409   8.29 0.071 0.500 0.182 3.255     337.828     350.000      12.418   10 
+     90000       18000.00      29.808     -12.452      17.356   6.26 0.214 0.571 0.201 1.073     270.432     350.000       9.885   10 
+    100000       20000.00      32.447       2.588      35.035   7.74 0.000 1.000 0.182 1.666     294.374     350.000      10.631   10 
+    110000       22000.00      27.204     -13.360      13.845   5.38 0.143 0.600 0.382 2.147     246.813     370.000       8.215   10 
+    120000       24000.00      37.354       7.934      45.288   3.61 0.214 0.250 0.216 1.530     338.894     370.000       8.191   10 
+    130000       26000.00      33.294      -9.890      23.404   5.81 0.143 0.600 0.164 1.411     302.061     370.000       7.947   10 
+    140000       28000.00      40.522      -3.433      37.089   4.27 0.286 0.636 0.463 1.695     367.640     370.000       8.113   10 
+    150000       30000.00      35.198       4.467      39.665   6.59 0.000   NaN   NaN 1.673     319.332     370.000       8.990   10 
+    160000       32000.00      37.136      -2.608      34.528   6.95 0.071 0.500 0.250 2.197     336.913     370.000      10.178   10 
+    170000       34000.00      32.459       7.949      40.408   7.49 0.071 0.857 0.227 1.275     294.485     370.000       8.247   10 
+    180000       36000.00      38.876     -10.096      28.780   4.08 0.143 0.500 0.455 1.265     352.703     370.000       8.228   10 
+    190000       38000.00      28.820       4.459      33.279   7.54 0.000   NaN   NaN 1.521     261.474     370.000      12.102   10 
+    200000       40000.00      32.101      -3.983      28.119   8.71 0.286 0.200 0.173 3.007     291.240     370.000      11.545   10 
+    210000       42000.00      39.750      -1.266      38.484   5.32 0.071 0.500 0.432 2.287     360.636     360.000       8.131   10 
+    220000       44000.00      42.321      -1.548      40.774   7.29 0.143 0.333 0.197 2.068     383.962     360.000      10.306   10 
+    230000       46000.00      34.286      -0.374      33.912   6.88 0.071 0.800 0.218 1.062     311.058     360.000       9.642   10 
+    240000       48000.00      34.130      -5.580      28.550   4.65 0.000 1.000 0.261 1.596     309.645     360.000       8.836   10 
+    250000       50000.00      35.071      -6.964      28.107   8.97 0.071 0.500 0.159 1.759     318.184     360.000      12.338   10 
+    260000       52000.00      29.582     -14.377      15.205   6.11 0.143 0.600 0.173 1.540     268.383     360.000       7.867   10 
+    270000       54000.00      38.708     -11.045      27.664   5.10 0.214 0.250 0.352 0.900     351.183     360.000       8.414   10 
+    280000       56000.00      35.991      -3.945      32.046   5.20 0.071 0.750 0.250 0.751     326.531     360.000       7.300   10 
+    290000       58000.00      43.344       0.689      44.033   5.37 0.071 0.500 0.227 3.317     393.243     360.000       8.548   10 
+    300000       60000.00      32.346      -2.727      29.620   4.75 0.071 0.667 0.167 4.701     293.461     360.000       8.333   10 
+    310000       62000.00      30.153      -9.701      20.452   4.03 0.286 0.200 0.264 2.017     273.561     350.000       8.476   10 
+    320000       64000.00      39.001      -9.238      29.763   5.10 0.000 1.000 0.402 1.614     353.840     350.000       8.134   10 
+    330000       66000.00      44.676      -3.485      41.191   5.84 0.071 0.875 0.398 1.859     405.324     350.000       7.233   10 
+    340000       68000.00      30.999     -10.311      20.688   6.46 0.071 0.000 0.182 3.742     281.237     350.000      11.192   10 
+    350000       70000.00      34.348      -3.798      30.550   3.38 0.214 0.400 0.255 2.495     311.623     350.000       7.490   10 
+    360000       72000.00      35.991     -12.639      23.352   6.28 0.214 0.500 0.197 3.216     326.528     350.000       9.777   10 
+    370000       74000.00      36.239     -15.570      20.669   6.98 0.071 0.800 0.227 1.896     328.782     350.000       9.026   10 
+    380000       76000.00      31.527       0.845      32.372   6.47 0.143 0.333 0.152 1.930     286.028     350.000       8.632   10 
+    390000       78000.00      40.391      -0.818      39.573   6.90 0.071 0.750 0.216 1.900     366.445     350.000       8.092   10 
+    400000       80000.00      32.280      -3.638      28.642   3.22 0.071 0.833 0.273 2.457     292.859     350.000       7.834   10 
+    410000       82000.00      32.799       4.982      37.781  10.82 0.071 0.000 0.136 1.842     297.568     340.000      14.122   10 
+    420000       84000.00      34.935       2.424      37.359  11.14 0.071 0.500 0.159 1.712     316.950     340.000      14.428   10 
+    430000       86000.00      34.729     -14.310      20.419   8.41 0.143 0.500 0.148 0.955     315.081     340.000      11.217   10 
+    440000       88000.00      37.266       4.536      41.802   3.27 0.214 0.700 0.182 1.346     338.093     340.000       8.217   10 
+    450000       90000.00      32.083      -6.351      25.732  10.87 0.000 1.000 0.136 3.642     291.077     340.000      14.736   10 
+    460000       92000.00      31.116     -12.247      18.868   4.39 0.143 0.667 0.280 1.311     282.296     340.000       7.434   10 
+    470000       94000.00      30.883     -12.686      18.197   6.30 0.000 1.000 0.432 1.384     280.185     340.000       9.438   10 
+    480000       96000.00      37.208      -2.451      34.756   4.98 0.071 0.000 0.136 1.802     337.567     340.000       7.850   10 
+    490000       98000.00      33.464     -10.292      23.172   5.95 0.143 0.750 0.517 2.067     303.605     340.000       8.271   10 
+    500000      100000.00      43.813      -8.609      35.204   4.98 0.143 0.600 0.427 2.241     397.498     340.000       8.483   10 
+    510000      102000.00      43.420       2.309      45.729   9.82 0.071 0.000 0.136 0.849     393.928     400.000      12.467   10 
+    520000      104000.00      43.010      12.340      55.350   6.99 0.000 1.000 0.205 2.129     390.205     400.000      10.402   10 
+    530000      106000.00      38.084       1.699      39.783   4.67 0.143 0.714 0.396 1.982     345.517     400.000       8.284   10 
+    540000      108000.00      44.653       0.514      45.167  12.50 0.071 0.000 0.182 1.096     405.117     400.000      15.218   10 
+    550000      110000.00      38.932       8.273      47.204   4.72 0.071 0.500 0.136 2.093     353.209     400.000       9.324   10 
+    560000      112000.00      30.959      11.666      42.626   6.29 0.071 0.833 0.280 2.283     280.877     400.000       9.637   10 
+    570000      114000.00      41.053      11.802      52.854   9.01 0.000   NaN   NaN 2.153     372.452     400.000      12.866   10 
+    580000      116000.00      28.154       4.090      32.244   6.20 0.071 0.500 0.136 1.842     255.423     400.000      10.969   10 
+    590000      118000.00      44.568       5.627      50.194   4.28 0.143 0.667 0.280 1.505     404.339     400.000       8.691   10 
+    600000      120000.00      36.644      -1.759      34.885   6.30 0.071 0.667 0.333 1.706     332.455     400.000       8.263   10 
+    610000      122000.00      57.362      -7.204      50.158   8.15 0.000 1.000 0.227 1.003     520.416     390.000      11.821   10 
+    620000      124000.00      38.166      -3.046      35.120   7.75 0.000 1.000 0.182 2.818     346.262     390.000      11.317   10 
+    630000      126000.00      45.793      -0.638      45.155   6.29 0.071 0.667 0.182 1.216     415.456     390.000       9.736   10 
+    640000      128000.00      37.457       6.363      43.820   8.72 0.071 0.500 0.159 1.878     339.830     390.000      12.440   10 
+    650000      130000.00      35.763      10.681      46.444   7.53 0.143 0.600 0.300 4.186     324.456     390.000       7.854   10 
+    660000      132000.00      45.613       3.689      49.302   9.28 0.143 0.333 0.182 1.547     413.824     390.000      13.195   10 
+    670000      134000.00      35.169       0.976      36.146   7.47 0.071 0.500 0.227 1.961     319.073     390.000       9.978   10 
+    680000      136000.00      39.734       0.858      40.592   7.52 0.071 0.000 0.182 1.171     360.486     390.000      10.886   10 
+    690000      138000.00      36.136       9.645      45.781   4.16 0.071 0.500 0.136 1.769     327.843     390.000       8.791   10 
+    700000      140000.00      38.884       4.386      43.269   4.68 0.143 0.500 0.295 2.690     352.773     390.000       7.852   10 
+    710000      142000.00      35.532      -2.393      33.138   5.26 0.000 1.000 0.318 1.917     322.361     400.000       8.550   10 
+    720000      144000.00      36.981       7.187      44.168   5.28 0.000 1.000 0.182 1.381     335.510     400.000       9.338   10 
+    730000      146000.00      47.356       8.094      55.449   8.58 0.071 0.500 0.136 2.573     429.634     400.000      12.223   10 
+    740000      148000.00      54.996      -5.289      49.707   7.78 0.071 0.500 0.205 1.645     498.954     400.000      11.924   10 
+    750000      150000.00      36.463      -6.535      29.928   5.25 0.071 0.833 0.167 2.130     330.811     400.000       8.605   10 
+    760000      152000.00      40.005     -11.005      29.000   4.77 0.071 0.833 0.250 2.051     362.950     400.000       8.915   10 
+    770000      154000.00      41.311      13.584      54.895   5.07 0.071 0.667 0.182 1.185     374.796     400.000       8.190   10 
+    780000      156000.00      48.022      -0.293      47.728   6.91 0.071 0.000 0.182 1.685     435.676     400.000       9.689   10 
+    790000      158000.00      34.482     -10.195      24.287   6.13 0.143 0.333 0.167 2.145     312.841     400.000      10.230   10 
+    800000      160000.00      40.800       2.449      43.249   5.77 0.071 0.000 0.136 1.321     370.161     400.000      10.013   10 
+    810000      162000.00      45.312      -1.113      44.198   6.32 0.000   NaN   NaN 2.202     411.090     390.000       9.300   10 
+    820000      164000.00      41.769      -4.408      37.361   4.11 0.143 0.667 0.447 2.023     378.953     390.000       7.914   10 
+    830000      166000.00      37.456      13.257      50.713   5.91 0.071 0.667 0.152 1.662     339.821     390.000       9.779   10 
+    840000      168000.00      37.315      14.650      51.964   9.82 0.000   NaN   NaN 1.279     338.539     390.000      13.182   10 
+    850000      170000.00      33.265      -6.039      27.226   5.16 0.071 0.000 0.136 1.583     301.801     390.000      10.214   10 
+    860000      172000.00      41.353      10.936      52.290   5.43 0.071 0.667 0.152 2.322     375.179     390.000      10.185   10 
+    870000      174000.00      34.012      -5.379      28.634   6.78 0.071 0.500 0.205 1.716     308.579     390.000       9.834   10 
+    880000      176000.00      35.793      13.484      49.277   8.35 0.000   NaN   NaN 1.658     324.736     390.000      11.862   10 
+    890000      178000.00      40.008      -6.602      33.406   6.34 0.071 0.800 0.191 2.675     362.973     390.000       8.533   10 
+    900000      180000.00      34.603      16.620      51.223   6.72 0.071 0.000 0.182 1.145     313.936     390.000      10.383   10 
+    910000      182000.00      29.815      -5.430      24.385   5.56 0.143 0.750 0.386 1.772     270.498     400.000       7.227   10 
+    920000      184000.00      45.175      -4.723      40.452   5.25 0.214 0.400 0.164 1.667     409.851     400.000       9.014   10 
+    930000      186000.00      42.125      -2.672      39.453   6.80 0.071 0.750 0.261 1.434     382.179     400.000      10.561   10 
+    940000      188000.00      43.588      -2.129      41.459   5.21 0.071 0.000 0.136 1.971     395.453     400.000       8.948   10 
+    950000      190000.00      33.042      -4.171      28.871   5.76 0.000 1.000 0.600 2.703     299.773     400.000       8.014   10 
+    960000      192000.00      40.849      -0.995      39.853   8.41 0.071 0.500 0.159 1.416     370.602     400.000      12.146   10 
+    970000      194000.00      40.638      -3.013      37.625   4.81 0.143 0.000 0.159 1.778     368.685     400.000       9.029   10 
+    980000      196000.00      37.893       6.250      44.143   7.35 0.143 0.000 0.136 2.072     343.785     400.000      11.219   10 
+    990000      198000.00      40.628       3.529      44.157   7.26 0.000 1.000 0.295 1.082     368.602     400.000       9.452   10 
+   1000000      200000.00      38.731       2.266      40.997   4.54 0.071 0.500 0.136 2.914     351.383     400.000       9.110   10 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB011.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB011.stat
index a119fff..592bbea 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB011.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB011.stat
@@ -1,101 +1,101 @@
          0           0.00      48.657     669.386     718.043   0.00 1.000 0.000 0.308 8.655     441.442     360.000       7.001   11 
-     10000        2000.00      34.643      -8.157      26.486   5.22 0.000 1.000 0.136 2.170     314.301     360.000       9.005   11 
-     20000        4000.00      37.885      -6.432      31.454   4.50 0.000 1.000 0.555 1.599     343.714     360.000       8.006   11 
-     30000        6000.00      29.928      -0.580      29.348   6.61 0.143 0.333 0.182 2.817     271.526     360.000      10.408   11 
-     40000        8000.00      40.685       6.778      47.464   5.01 0.143 0.667 0.470 1.783     369.119     360.000       7.870   11 
-     50000       10000.00      29.476       5.743      35.219   7.95 0.071 0.000 0.136 1.730     267.420     360.000      11.841   11 
-     60000       12000.00      35.548      -1.280      34.268   5.44 0.071 0.667 0.606 1.627     322.509     360.000       9.493   11 
-     70000       14000.00      38.781       5.748      44.529   5.58 0.143 0.333 0.167 1.676     351.844     360.000       8.731   11 
-     80000       16000.00      30.814     -12.991      17.823   5.32 0.143 0.600 0.327 1.672     279.560     360.000       7.334   11 
-     90000       18000.00      37.370     -10.172      27.198   4.44 0.143 0.714 0.344 1.325     339.039     360.000       8.490   11 
-    100000       20000.00      33.683      -5.143      28.540   4.63 0.071 0.750 0.273 1.183     305.592     360.000       8.374   11 
-    110000       22000.00      34.385      -2.199      32.186   5.93 0.214 0.000 0.152 1.772     311.959     350.000      11.192   11 
-    120000       24000.00      31.154      -5.587      25.566   6.07 0.000 1.000 0.318 1.698     282.641     350.000       9.983   11 
-    130000       26000.00      37.750       1.122      38.872   7.49 0.071 0.500 0.227 1.416     342.491     350.000      10.056   11 
-    140000       28000.00      36.212      -7.870      28.342   3.93 0.000 1.000 0.303 1.205     328.532     350.000       8.351   11 
-    150000       30000.00      31.024     -11.135      19.889   3.69 0.143 0.600 0.336 2.184     281.466     350.000       8.228   11 
-    160000       32000.00      29.207     -10.826      18.381   6.54 0.143 0.600 0.500 1.494     264.985     350.000       7.472   11 
-    170000       34000.00      33.389     -15.082      18.308   3.67 0.286 0.333 0.379 2.179     302.925     350.000       7.222   11 
-    180000       36000.00      33.938      -8.539      25.399   3.58 0.071 0.833 0.182 2.590     307.905     350.000       7.754   11 
-    190000       38000.00      34.050     -10.896      23.154   6.76 0.214 0.400 0.164 0.761     308.924     350.000       9.380   11 
-    200000       40000.00      25.974     -17.975       7.998   4.37 0.000 1.000 0.205 1.251     235.646     350.000       8.114   11 
-    210000       42000.00      34.755     -17.700      17.056   4.54 0.214 0.500 0.212 1.037     315.318     340.000       7.734   11 
-    220000       44000.00      31.399     -21.851       9.548   5.57 0.143 0.750 0.455 1.381     284.866     340.000       7.160   11 
-    230000       46000.00      37.720      -6.287      31.433   4.39 0.286 0.200 0.255 2.237     342.211     340.000       7.203   11 
-    240000       48000.00      35.754      -8.323      27.430   7.63 0.214 0.667 0.227 0.984     324.377     340.000       8.237   11 
-    250000       50000.00      33.616      -4.000      29.615   3.96 0.000 1.000 0.273 1.863     304.977     340.000       7.850   11 
-    260000       52000.00      37.838       9.983      47.822   7.51 0.000   NaN   NaN 1.775     343.288     340.000      12.515   11 
-    270000       54000.00      34.822      -4.419      30.403   6.48 0.143 0.333 0.152 1.291     315.923     340.000      10.257   11 
-    280000       56000.00      30.984     -12.112      18.873   2.80 0.214 0.500 0.311 2.282     281.106     340.000       7.502   11 
-    290000       58000.00      27.183      -0.306      26.877   5.59 0.071 0.800 0.173 1.366     246.622     340.000       7.886   11 
-    300000       60000.00      25.353       0.703      26.056   7.77 0.071 0.750 0.239 1.926     230.018     340.000      10.485   11 
-    310000       62000.00      47.966      -1.850      46.116   6.96 0.000 1.000 0.307 1.922     435.175     380.000       7.911   11 
-    320000       64000.00      41.264       3.864      45.128   4.20 0.071 0.500 0.136 2.822     374.367     380.000       8.957   11 
-    330000       66000.00      35.947       2.165      38.112   8.36 0.071 0.667 0.136 1.655     326.126     380.000      11.925   11 
-    340000       68000.00      44.943      19.068      64.011   5.78 0.000 1.000 0.167 3.982     407.744     380.000       9.669   11 
-    350000       70000.00      30.966      18.227      49.192   9.85 0.071 0.667 0.152 2.641     280.937     380.000      12.217   11 
-    360000       72000.00      38.288       5.520      43.808   6.88 0.000 1.000 0.205 2.551     347.368     380.000      10.640   11 
-    370000       74000.00      42.586       5.987      48.573   5.36 0.143 0.333 0.318 3.602     386.362     380.000       9.866   11 
-    380000       76000.00      41.221      -7.394      33.827   6.01 0.214 0.667 0.288 0.857     373.979     380.000       7.477   11 
-    390000       78000.00      26.533      -1.034      25.499   5.17 0.071 0.750 0.432 1.842     240.721     380.000       8.650   11 
-    400000       80000.00      37.945      -3.248      34.697   6.00 0.000 1.000 0.182 1.323     344.255     380.000       8.718   11 
-    410000       82000.00      39.079      -3.796      35.282   6.90 0.143 0.333 0.242 1.819     354.541     400.000       8.467   11 
-    420000       84000.00      36.549       9.143      45.691   7.32 0.071 0.750 0.364 2.148     331.589     400.000       7.558   11 
-    430000       86000.00      39.852       5.154      45.005   7.13 0.143 0.500 0.159 1.434     361.554     400.000      10.962   11 
-    440000       88000.00      31.655       1.934      33.589   7.88 0.000 1.000 0.205 1.596     287.191     400.000      11.028   11 
-    450000       90000.00      33.541      11.489      45.030   9.29 0.071 0.750 0.159 1.250     304.299     400.000      11.460   11 
-    460000       92000.00      47.310      17.950      65.260   6.66 0.071 0.500 0.205 1.216     429.220     400.000      10.303   11 
-    470000       94000.00      39.874       7.526      47.399   5.30 0.143 0.000 0.136 1.079     361.755     400.000       9.105   11 
-    480000       96000.00      37.769      14.742      52.511   8.06 0.071 0.000 0.182 2.997     342.660     400.000      11.204   11 
-    490000       98000.00      39.006       3.427      42.433   5.04 0.000 1.000 0.379 1.321     353.882     400.000       8.191   11 
-    500000      100000.00      43.208       7.747      50.955   5.15 0.143 0.333 0.136 1.436     392.006     400.000       9.662   11 
-    510000      102000.00      46.373       8.418      54.791   7.92 0.143 0.333 0.136 2.370     420.719     390.000      12.094   11 
-    520000      104000.00      32.175      -2.537      29.637   9.92 0.143 0.500 0.205 1.944     291.907     390.000      12.891   11 
-    530000      106000.00      41.861      -6.187      35.674   5.03 0.143 0.600 0.418 1.286     379.787     390.000       8.152   11 
-    540000      108000.00      33.894      -7.284      26.610   6.17 0.071 0.833 0.402 1.298     307.506     390.000       7.472   11 
-    550000      110000.00      37.754      -2.339      35.415   8.91 0.143 0.667 0.227 1.946     342.527     390.000      11.235   11 
-    560000      112000.00      36.694       8.921      45.615   6.51 0.071 0.000 0.136 3.553     332.908     390.000      11.295   11 
-    570000      114000.00      38.536       5.422      43.958   8.20 0.071 0.500 0.136 2.170     349.622     390.000      11.041   11 
-    580000      116000.00      36.527       8.441      44.968  11.06 0.071 0.000 0.136 1.765     331.395     390.000      14.546   11 
-    590000      118000.00      38.546       6.814      45.360   5.32 0.000 1.000 0.197 2.005     349.711     390.000       9.357   11 
-    600000      120000.00      38.225       5.879      44.104   6.90 0.071 0.500 0.159 1.427     346.796     390.000      10.683   11 
-    610000      122000.00      39.314      -4.500      34.813   4.54 0.214 0.500 0.189 2.426     356.673     380.000       8.122   11 
-    620000      124000.00      32.639     -10.708      21.931   3.10 0.286 0.636 0.397 1.378     296.120     380.000       6.740   11 
-    630000      126000.00      29.675       1.700      31.375   8.39 0.000 1.000 0.205 2.063     269.224     380.000      11.404   11 
-    640000      128000.00      36.690      -3.012      33.678   6.02 0.071 0.875 0.188 2.193     332.867     380.000       9.197   11 
-    650000      130000.00      38.721       1.885      40.606   7.90 0.071 0.000 0.182 4.729     351.294     380.000      12.274   11 
-    660000      132000.00      30.897       1.000      31.897   7.84 0.071 0.000 0.136 0.772     280.311     380.000      10.090   11 
-    670000      134000.00      45.654       8.435      54.089   6.59 0.143 0.714 0.312 1.653     414.196     380.000       8.370   11 
-    680000      136000.00      38.463       0.889      39.352   5.88 0.071 0.800 0.236 2.829     348.952     380.000       7.574   11 
-    690000      138000.00      27.678      15.872      43.550  10.38 0.071 0.500 0.205 2.244     251.107     380.000      13.258   11 
-    700000      140000.00      43.031       1.092      44.123  10.08 0.000 1.000 0.205 1.530     390.395     380.000      12.989   11 
-    710000      142000.00      33.853      -4.383      29.469   6.43 0.071 0.857 0.273 1.868     307.128     370.000       8.841   11 
-    720000      144000.00      39.794      -5.186      34.608   4.55 0.000 1.000 0.374 3.040     361.033     370.000       6.940   11 
-    730000      146000.00      29.851     -17.643      12.208   4.51 0.071 0.500 0.318 1.798     270.824     370.000       8.718   11 
-    740000      148000.00      41.497      -8.633      32.864   6.45 0.071 0.800 0.327 1.723     376.486     370.000       7.224   11 
-    750000      150000.00      35.896      -4.205      31.691   5.58 0.000 1.000 0.258 2.985     325.667     370.000       8.568   11 
-    760000      152000.00      30.161      -4.789      25.372   7.04 0.143 0.333 0.288 1.853     273.632     370.000      10.295   11 
-    770000      154000.00      33.834       1.807      35.640   5.12 0.071 0.750 0.375 1.400     306.955     370.000       7.771   11 
-    780000      156000.00      37.960      -6.999      30.961   5.22 0.071 0.833 0.326 2.490     344.391     370.000       7.935   11 
-    790000      158000.00      32.440       1.692      34.133   8.69 0.000 1.000 0.182 1.672     294.314     370.000      11.625   11 
-    800000      160000.00      40.349       1.461      41.810   6.72 0.071 0.667 0.288 2.234     366.066     370.000       9.753   11 
-    810000      162000.00      37.554      -3.324      34.231   6.01 0.143 0.750 0.528 1.340     340.713     400.000       7.794   11 
-    820000      164000.00      38.413       4.606      43.020   5.93 0.000 1.000 0.273 2.261     348.506     400.000      10.017   11 
-    830000      166000.00      36.408       5.517      41.926   4.28 0.071 0.750 0.420 2.131     330.316     400.000       8.495   11 
-    840000      168000.00      41.738      12.080      53.818   5.58 0.071 0.667 0.303 2.523     378.667     400.000       8.632   11 
-    850000      170000.00      35.321       0.963      36.284   6.83 0.000 1.000 0.205 1.766     320.450     400.000      10.362   11 
-    860000      172000.00      38.151       4.585      42.735   7.50 0.071 0.500 0.136 2.416     346.123     400.000      11.272   11 
-    870000      174000.00      40.921      -5.692      35.229   5.30 0.071 0.750 0.284 1.287     371.254     400.000       9.378   11 
-    880000      176000.00      45.216      12.619      57.835   7.16 0.214 0.400 0.209 1.957     410.225     400.000      10.436   11 
-    890000      178000.00      42.670      12.312      54.982   8.90 0.071 0.500 0.182 2.551     387.126     400.000      12.465   11 
-    900000      180000.00      29.183      23.965      53.148   7.21 0.071 0.500 0.318 1.991     264.764     400.000       8.242   11 
-    910000      182000.00      36.082      18.358      54.440   6.21 0.000 1.000 0.394 2.229     327.354     390.000       8.538   11 
-    920000      184000.00      38.740     -11.360      27.380   5.89 0.000 1.000 0.341 1.328     351.469     390.000       8.431   11 
-    930000      186000.00      36.742      -3.111      33.631   6.86 0.071 0.500 0.318 1.180     333.341     390.000       9.154   11 
-    940000      188000.00      36.094       9.863      45.957   5.15 0.071 0.500 0.318 1.762     327.465     390.000       8.050   11 
-    950000      190000.00      46.876      13.038      59.914   5.33 0.071 0.500 0.227 1.625     425.286     390.000       8.467   11 
-    960000      192000.00      29.449      12.777      42.226   8.16 0.071 0.667 0.197 4.366     267.180     390.000      11.076   11 
-    970000      194000.00      48.201       1.502      49.703   5.51 0.000 1.000 0.682 4.105     437.305     390.000       8.202   11 
-    980000      196000.00      36.209       2.176      38.386   7.70 0.071 0.500 0.136 1.013     328.510     390.000       7.888   11 
-    990000      198000.00      38.128       1.720      39.848   5.84 0.000 1.000 0.264 4.430     345.918     390.000       7.940   11 
-   1000000      200000.00      35.059       0.747      35.807  10.55 0.214 0.000 0.152 1.112     318.077     390.000      14.070   11 
+     10000        2000.00      36.651      -3.595      33.056   4.90 0.071 0.000 0.136 1.296     332.518     360.000       9.193   11 
+     20000        4000.00      36.369      -7.931      28.438   5.60 0.143 0.500 0.148 2.428     329.957     360.000      10.078   11 
+     30000        6000.00      35.663       4.378      40.040   6.20 0.143 0.500 0.170 2.561     323.551     360.000       9.108   11 
+     40000        8000.00      43.520      -1.815      41.705   5.63 0.071 0.800 0.273 1.376     394.834     360.000       7.915   11 
+     50000       10000.00      31.998      -6.560      25.437   7.79 0.071 0.000 0.136 1.396     290.299     360.000      12.455   11 
+     60000       12000.00      40.338      -2.096      38.242   6.61 0.071 0.667 0.152 1.234     365.965     360.000       9.632   11 
+     70000       14000.00      41.527      -5.031      36.496   5.26 0.071 0.667 0.197 1.022     376.758     360.000       8.468   11 
+     80000       16000.00      31.728     -14.060      17.669   5.02 0.143 0.800 0.364 1.218     287.856     360.000       7.374   11 
+     90000       18000.00      36.379      -3.943      32.436   5.88 0.071 0.875 0.375 1.980     330.051     360.000       7.774   11 
+    100000       20000.00      33.801      -9.322      24.479   5.63 0.071 0.800 0.518 1.787     306.659     360.000       7.768   11 
+    110000       22000.00      31.397     -13.887      17.510   5.77 0.000 1.000 0.364 1.508     284.850     350.000       8.282   11 
+    120000       24000.00      32.074     -13.130      18.945   7.80 0.071 0.833 0.235 0.898     290.996     350.000       8.921   11 
+    130000       26000.00      34.988     -14.837      20.151   7.11 0.000 1.000 0.303 3.572     317.433     350.000       7.127   11 
+    140000       28000.00      37.055      -8.601      28.454   5.89 0.000 1.000 0.318 2.183     336.183     350.000       7.135   11 
+    150000       30000.00      27.946     -17.633      10.312   4.59 0.143 0.778 0.369 1.728     253.538     350.000       7.433   11 
+    160000       32000.00      34.009      -4.449      29.559   5.74 0.071 0.833 0.341 1.012     308.544     350.000       8.075   11 
+    170000       34000.00      33.472      -9.820      23.652   6.50 0.214 0.625 0.369 2.465     303.676     350.000       7.415   11 
+    180000       36000.00      25.187      -8.326      16.861   6.74 0.071 0.800 0.373 2.426     228.510     350.000       9.382   11 
+    190000       38000.00      31.438      -4.603      26.835   5.98 0.000 1.000 0.136 0.995     285.225     350.000       9.485   11 
+    200000       40000.00      22.650      -2.036      20.613   5.81 0.071 0.800 0.409 0.938     205.489     350.000       7.008   11 
+    210000       42000.00      35.349     -30.289       5.060   5.30 0.143 0.778 0.303 0.616     320.706     340.000       7.042   11 
+    220000       44000.00      31.310     -17.043      14.267   4.37 0.000 1.000 0.336 1.561     284.060     340.000       7.350   11 
+    230000       46000.00      42.611     -20.769      21.842   2.48 0.214 0.500 0.295 1.641     386.590     340.000       7.512   11 
+    240000       48000.00      36.809     -13.940      22.869   5.05 0.214 0.400 0.264 1.236     333.952     340.000       7.225   11 
+    250000       50000.00      34.770      -6.017      28.753   6.57 0.000 1.000 0.386 2.441     315.453     340.000       7.518   11 
+    260000       52000.00      33.129     -21.019      12.110   5.89 0.214 0.700 0.327 1.524     300.568     340.000       7.332   11 
+    270000       54000.00      38.718     -18.786      19.932   5.41 0.143 0.600 0.345 1.494     351.269     340.000       8.842   11 
+    280000       56000.00      32.236      -6.135      26.101   7.37 0.000 1.000 0.136 1.991     292.460     340.000      11.288   11 
+    290000       58000.00      30.738     -11.976      18.762   4.05 0.214 0.625 0.256 1.708     278.868     340.000       7.786   11 
+    300000       60000.00      29.989      13.066      43.055   9.11 0.000   NaN   NaN 2.701     272.077     340.000      12.224   11 
+    310000       62000.00      48.083      -4.764      43.320   5.61 0.000 1.000 0.369 2.004     436.234     400.000       8.486   11 
+    320000       64000.00      42.146       2.512      44.658   9.66 0.143 0.500 0.148 2.684     382.368     400.000      11.966   11 
+    330000       66000.00      35.929       4.902      40.831   8.90 0.071 0.000 0.136 1.071     325.970     400.000      11.562   11 
+    340000       68000.00      43.817       4.032      47.849   3.69 0.214 0.500 0.288 3.843     397.531     400.000       8.283   11 
+    350000       70000.00      38.215      17.751      55.966   7.19 0.000 1.000 0.227 2.969     346.706     400.000       9.948   11 
+    360000       72000.00      37.355       5.569      42.923   7.18 0.000 1.000 0.136 2.255     338.901     400.000      10.156   11 
+    370000       74000.00      44.551       0.140      44.691   7.86 0.071 0.667 0.227 1.657     404.187     400.000       8.577   11 
+    380000       76000.00      40.318      -0.512      39.806   7.24 0.071 0.500 0.205 1.535     365.785     400.000      10.686   11 
+    390000       78000.00      29.166       7.793      36.959   7.91 0.071 0.750 0.205 1.393     264.606     400.000       9.788   11 
+    400000       80000.00      41.425      -6.995      34.430   7.41 0.071 0.800 0.218 1.876     375.828     400.000       8.340   11 
+    410000       82000.00      36.172       1.730      37.901   4.02 0.143 0.000 0.159 2.135     328.167     390.000       8.749   11 
+    420000       84000.00      31.173      -3.975      27.199  10.75 0.214 0.250 0.148 1.798     282.821     390.000      13.519   11 
+    430000       86000.00      42.123     -11.316      30.807   5.57 0.000 1.000 0.530 0.946     382.160     390.000       8.465   11 
+    440000       88000.00      34.240      -1.320      32.920   4.07 0.143 0.714 0.234 1.199     310.639     390.000       7.573   11 
+    450000       90000.00      35.910       5.371      41.282   9.25 0.071 0.000 0.136 1.676     325.798     390.000      12.712   11 
+    460000       92000.00      43.578      16.330      59.908   5.59 0.071 0.750 0.284 1.717     395.363     390.000       8.711   11 
+    470000       94000.00      42.110     -12.813      29.297   6.78 0.071 0.833 0.242 2.676     382.041     390.000       7.241   11 
+    480000       96000.00      35.089       7.223      42.312   9.23 0.071 0.500 0.182 2.942     318.342     390.000      13.307   11 
+    490000       98000.00      40.053       4.023      44.076  11.70 0.000   NaN   NaN 1.394     363.383     390.000      14.136   11 
+    500000      100000.00      49.298       6.211      55.509   4.61 0.143 0.714 0.506 1.257     447.258     390.000       7.988   11 
+    510000      102000.00      37.172       7.747      44.918   8.75 0.071 0.500 0.205 2.761     337.239     380.000      12.724   11 
+    520000      104000.00      36.463      -1.823      34.640   5.52 0.071 0.500 0.136 1.144     330.815     380.000      10.173   11 
+    530000      106000.00      40.043      -0.716      39.327   5.56 0.214 0.250 0.170 2.394     363.288     380.000       9.973   11 
+    540000      108000.00      38.835      -7.471      31.364   8.29 0.214 0.000 0.152 1.077     352.333     380.000      11.408   11 
+    550000      110000.00      29.094      -3.108      25.986   4.43 0.071 0.500 0.591 1.250     263.952     380.000       8.421   11 
+    560000      112000.00      39.747       0.749      40.497   4.23 0.071 0.800 0.455 2.440     360.608     380.000       8.256   11 
+    570000      114000.00      36.924       2.888      39.812   9.46 0.000   NaN   NaN 1.841     334.997     380.000      11.969   11 
+    580000      116000.00      35.125     -11.599      23.527   6.66 0.000 1.000 0.261 2.133     318.676     380.000       7.685   11 
+    590000      118000.00      35.765      13.086      48.851   5.44 0.000 1.000 0.136 1.532     324.477     380.000       9.966   11 
+    600000      120000.00      33.681      -1.119      32.562   6.05 0.071 0.750 0.330 0.980     305.573     380.000       7.424   11 
+    610000      122000.00      37.065       4.379      41.444   7.83 0.071 0.800 0.282 1.811     336.275     370.000      10.322   11 
+    620000      124000.00      37.190      -7.931      29.259   5.28 0.143 0.000 0.159 2.323     337.404     370.000       9.689   11 
+    630000      126000.00      23.093       4.185      27.278   4.09 0.143 0.333 0.136 2.196     209.508     370.000       8.912   11 
+    640000      128000.00      39.929      -6.507      33.421   6.04 0.071 0.750 0.375 2.507     362.253     370.000       8.960   11 
+    650000      130000.00      44.113      16.943      61.056   9.72 0.071 0.500 0.159 2.502     400.217     370.000      11.613   11 
+    660000      132000.00      33.736     -23.753       9.983   4.43 0.143 0.500 0.205 1.118     306.071     370.000       8.677   11 
+    670000      134000.00      45.347       2.453      47.800  10.47 0.071 0.500 0.136 2.083     411.409     370.000      13.723   11 
+    680000      136000.00      39.001      13.315      52.316  10.10 0.071 0.500 0.159 1.445     353.834     370.000      13.306   11 
+    690000      138000.00      30.171       8.933      39.104   6.27 0.071 0.875 0.261 3.049     273.724     370.000       7.663   11 
+    700000      140000.00      40.031      -1.443      38.588   6.05 0.071 0.857 0.403 2.940     363.179     370.000       8.533   11 
+    710000      142000.00      31.442      -4.296      27.147   5.70 0.071 0.875 0.352 2.446     285.262     360.000       7.141   11 
+    720000      144000.00      38.332      -4.387      33.944   7.63 0.000 1.000 0.227 2.559     347.765     360.000       8.854   11 
+    730000      146000.00      27.806       2.923      30.730   8.23 0.000 1.000 0.227 3.009     252.275     360.000      11.681   11 
+    740000      148000.00      39.534      -7.525      32.009   5.74 0.000 1.000 0.273 2.979     358.672     360.000       8.991   11 
+    750000      150000.00      32.765       5.679      38.444   5.50 0.000 1.000 0.394 1.236     297.258     360.000       9.010   11 
+    760000      152000.00      31.339     -19.229      12.110   5.40 0.143 0.667 0.386 1.905     284.324     360.000       7.589   11 
+    770000      154000.00      34.344     -12.684      21.660   5.25 0.286 0.429 0.351 1.284     311.586     360.000       7.059   11 
+    780000      156000.00      38.259      -3.612      34.646   9.91 0.071 0.000 0.136 1.541     347.102     360.000      13.802   11 
+    790000      158000.00      26.134      -0.711      25.423   8.38 0.000 1.000 0.227 1.571     237.100     360.000      11.761   11 
+    800000      160000.00      33.396     -11.788      21.609   8.03 0.143 0.500 0.205 1.551     302.990     360.000      11.103   11 
+    810000      162000.00      34.751      -5.951      28.800   5.46 0.071 0.800 0.555 3.150     315.279     360.000       7.700   11 
+    820000      164000.00      33.285     -10.677      22.608   5.57 0.071 0.857 0.260 1.374     301.980     360.000       7.333   11 
+    830000      166000.00      35.662      -2.760      32.902   4.77 0.071 0.667 0.197 2.287     323.545     360.000       8.214   11 
+    840000      168000.00      40.005       1.570      41.575   5.30 0.143 0.667 0.258 2.458     362.945     360.000       7.813   11 
+    850000      170000.00      31.720     -12.187      19.533   4.82 0.143 0.667 0.303 1.353     287.785     360.000       7.921   11 
+    860000      172000.00      34.272     -11.306      22.966   5.57 0.143 0.778 0.308 2.592     310.932     360.000       7.666   11 
+    870000      174000.00      36.324     -15.148      21.177   7.02 0.143 0.600 0.336 1.211     329.553     360.000       8.312   11 
+    880000      176000.00      42.930     -13.467      29.463   4.92 0.357 0.545 0.405 2.386     389.481     360.000       7.261   11 
+    890000      178000.00      37.450     -13.807      23.643   5.82 0.071 0.833 0.447 2.182     339.770     360.000       7.222   11 
+    900000      180000.00      30.810      -4.591      26.219   7.07 0.143 0.667 0.242 1.513     279.527     360.000       8.892   11 
+    910000      182000.00      36.409      -4.984      31.425   3.86 0.071 0.000 0.136 1.303     330.321     380.000       8.371   11 
+    920000      184000.00      35.001     -11.586      23.415   7.66 0.000 1.000 0.258 1.969     317.551     380.000      11.610   11 
+    930000      186000.00      36.099      -3.254      32.845   7.43 0.143 0.500 0.159 0.906     327.508     380.000       9.551   11 
+    940000      188000.00      34.636      -0.432      34.204   6.55 0.071 0.750 0.398 1.797     314.235     380.000       7.481   11 
+    950000      190000.00      41.308       8.515      49.823   4.39 0.071 0.000 0.182 1.778     374.770     380.000       8.282   11 
+    960000      192000.00      30.840      -7.509      23.331   7.58 0.000 1.000 0.205 2.646     279.800     380.000       9.839   11 
+    970000      194000.00      39.930       5.631      45.561   4.43 0.214 0.500 0.303 1.852     362.265     380.000       7.328   11 
+    980000      196000.00      29.619      16.153      45.772   8.23 0.071 0.000 0.136 1.319     268.720     380.000       9.265   11 
+    990000      198000.00      34.622      10.994      45.617  10.87 0.071 0.500 0.136 1.555     314.111     380.000      14.335   11 
+   1000000      200000.00      33.625      -8.584      25.041   6.81 0.071 0.750 0.341 1.515     305.062     380.000       9.454   11 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB012.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB012.stat
index 840b079..46e16c6 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB012.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB012.stat
@@ -1,101 +1,101 @@
          0           0.00      26.618     670.244     696.862   0.00 1.000 0.000 0.308 8.655     241.491     370.000       7.001   12 
-     10000        2000.00      26.271     -11.015      15.256   4.15 0.214 0.700 0.250 1.685     238.345     370.000       7.831   12 
-     20000        4000.00      31.440       6.638      38.078   6.35 0.143 0.500 0.341 2.194     285.241     370.000       7.313   12 
-     30000        6000.00      37.645       2.800      40.445   6.40 0.071 0.667 0.258 1.024     341.533     370.000      10.495   12 
-     40000        8000.00      41.730      -1.754      39.976   7.20 0.071 0.000 0.136 2.714     378.597     370.000      11.750   12 
-     50000       10000.00      42.204      -2.915      39.289   8.23 0.000   NaN   NaN 2.359     382.899     370.000      11.305   12 
-     60000       12000.00      31.337      -2.640      28.698   8.19 0.000 1.000 0.273 1.848     284.309     370.000      11.159   12 
-     70000       14000.00      49.177     -13.602      35.575   5.58 0.000 1.000 0.288 1.604     446.155     370.000       8.495   12 
-     80000       16000.00      43.641       8.258      51.899   6.90 0.000 1.000 0.159 1.802     395.930     370.000      11.539   12 
-     90000       18000.00      37.474      -4.447      33.027   7.18 0.071 0.833 0.205 1.366     339.980     370.000       8.362   12 
-    100000       20000.00      38.898      -0.912      37.985   7.46 0.071 0.750 0.182 2.311     352.900     370.000      10.567   12 
-    110000       22000.00      43.448      -3.659      39.788   7.49 0.071 0.000 0.182 3.058     394.180     360.000      10.674   12 
-    120000       24000.00      28.967      -4.006      24.960   6.60 0.071 0.667 0.273 1.598     262.801     360.000       9.146   12 
-    130000       26000.00      37.170       8.851      46.021   7.29 0.000   NaN   NaN 2.495     337.223     360.000      11.075   12 
-    140000       28000.00      29.163       0.868      30.031   7.87 0.071 0.000 0.182 1.517     264.584     360.000      11.831   12 
-    150000       30000.00      31.605       2.873      34.479   4.89 0.000 1.000 0.716 2.712     286.739     360.000       7.455   12 
-    160000       32000.00      43.539      -6.329      37.210   5.42 0.143 0.600 0.209 2.771     395.011     360.000       9.386   12 
-    170000       34000.00      44.703      -1.099      43.603   5.89 0.071 0.750 0.216 1.970     405.565     360.000       8.649   12 
-    180000       36000.00      32.610       5.314      37.923   5.96 0.000 1.000 0.330 1.507     295.853     360.000       8.336   12 
-    190000       38000.00      33.771      13.439      47.210   4.59 0.071 0.667 0.273 1.746     306.387     360.000       8.337   12 
-    200000       40000.00      43.946      13.912      57.858   9.35 0.000   NaN   NaN 2.729     398.698     360.000      12.955   12 
-    210000       42000.00      35.305      -4.886      30.419   9.36 0.000   NaN   NaN 1.503     320.306     400.000      13.545   12 
-    220000       44000.00      45.503       6.378      51.881   7.34 0.000   NaN   NaN 1.318     412.822     400.000      10.712   12 
-    230000       46000.00      39.846       6.412      46.258   5.24 0.071 0.000 0.136 2.155     361.503     400.000       9.724   12 
-    240000       48000.00      46.064      -2.325      43.739   6.51 0.071 0.667 0.333 2.070     417.919     400.000       9.171   12 
-    250000       50000.00      30.798       1.885      32.683   7.12 0.143 0.000 0.159 1.024     279.414     400.000      10.736   12 
-    260000       52000.00      45.350       8.168      53.518   6.37 0.000 1.000 0.227 0.951     411.436     400.000       9.135   12 
-    270000       54000.00      45.388       7.929      53.317   5.82 0.143 0.333 0.182 1.009     411.782     400.000      10.747   12 
-    280000       56000.00      35.895      -6.707      29.188   9.87 0.143 0.000 0.159 1.002     325.655     400.000      13.242   12 
-    290000       58000.00      44.909      -9.043      35.866   5.59 0.000   NaN   NaN 1.475     407.437     400.000       9.328   12 
-    300000       60000.00      36.986       9.021      46.007   4.55 0.214 0.400 0.336 2.677     335.554     400.000       7.817   12 
-    310000       62000.00      40.602       7.051      47.652   4.68 0.071 0.500 0.182 2.515     368.361     390.000       8.370   12 
-    320000       64000.00      39.729      -0.744      38.985   4.75 0.071 0.833 0.568 2.446     360.444     390.000       8.392   12 
-    330000       66000.00      39.147      -3.091      36.056   5.32 0.071 0.800 0.182 2.680     355.158     390.000       8.025   12 
-    340000       68000.00      40.434       1.878      42.312   5.81 0.000 1.000 0.500 2.152     366.843     390.000       9.210   12 
-    350000       70000.00      37.125      -2.987      34.138  10.18 0.000 1.000 0.205 2.463     336.820     390.000      14.447   12 
-    360000       72000.00      29.681      -5.639      24.042   9.97 0.071 0.500 0.136 2.473     269.278     390.000      13.129   12 
-    370000       74000.00      38.004       3.780      41.784   8.10 0.000 1.000 0.227 1.434     344.793     390.000      10.599   12 
-    380000       76000.00      38.378      -2.571      35.807   6.14 0.071 0.000 0.136 1.805     348.181     390.000       9.215   12 
-    390000       78000.00      34.991      -6.539      28.452   3.80 0.214 0.250 0.250 1.344     317.457     390.000       8.228   12 
-    400000       80000.00      38.597     -13.259      25.339   5.52 0.071 0.750 0.273 2.157     350.173     390.000       9.046   12 
-    410000       82000.00      45.405      -4.262      41.143   7.78 0.071 0.667 0.227 2.423     411.939     380.000       9.256   12 
-    420000       84000.00      46.229      -6.213      40.015   5.06 0.071 0.750 0.205 2.538     419.412     380.000       8.856   12 
-    430000       86000.00      37.829      -3.693      34.137   6.72 0.071 0.000 0.136 1.353     343.209     380.000      10.598   12 
-    440000       88000.00      36.490       3.294      39.784   8.11 0.000 1.000 0.182 2.424     331.055     380.000       9.558   12 
-    450000       90000.00      43.320      -7.289      36.030   6.03 0.071 0.500 0.205 0.988     393.020     380.000       9.380   12 
-    460000       92000.00      41.241      -4.261      36.980   4.13 0.143 0.750 0.398 1.208     374.158     380.000       7.322   12 
-    470000       94000.00      49.635       9.118      58.753   7.30 0.071 0.000 0.136 2.644     450.311     380.000      11.584   12 
-    480000       96000.00      40.914      -6.870      34.044   5.70 0.071 0.750 0.398 1.675     371.196     380.000       7.464   12 
-    490000       98000.00      28.925     -13.095      15.830   6.63 0.071 0.800 0.291 2.376     262.419     380.000       8.440   12 
-    500000      100000.00      38.061      -4.793      33.268   5.59 0.071 0.750 0.227 1.699     345.310     380.000       9.316   12 
-    510000      102000.00      34.216      -7.176      27.040   5.12 0.143 0.000 0.136 2.079     310.427     370.000       9.670   12 
-    520000      104000.00      30.518     -15.603      14.915   4.65 0.214 0.625 0.250 1.025     276.872     370.000       7.561   12 
-    530000      106000.00      40.059       1.770      41.830   6.59 0.071 0.667 0.182 3.853     363.438     370.000      10.210   12 
-    540000      108000.00      26.033      -7.939      18.094   3.95 0.143 0.500 0.261 1.191     236.188     370.000       8.511   12 
-    550000      110000.00      34.484     -10.172      24.312   8.17 0.000 1.000 0.145 1.006     312.861     370.000      10.369   12 
-    560000      112000.00      41.863       2.519      44.383  10.03 0.000 1.000 0.136 1.815     379.806     370.000      12.976   12 
-    570000      114000.00      45.086       7.654      52.740   5.58 0.000 1.000 0.250 2.393     409.044     370.000       9.813   12 
-    580000      116000.00      39.433       6.534      45.967   7.68 0.071 0.500 0.159 1.255     357.753     370.000      10.879   12 
-    590000      118000.00      36.202      -8.531      27.671   9.74 0.071 0.500 0.182 2.784     328.439     370.000      12.144   12 
-    600000      120000.00      48.606       3.310      51.916   8.28 0.000 1.000 0.205 3.272     440.978     370.000      11.652   12 
-    610000      122000.00      52.808      -7.150      45.658   4.04 0.000 1.000 0.288 4.603     479.100     400.000       8.504   12 
-    620000      124000.00      37.038      -0.886      36.152   6.19 0.071 0.667 0.424 3.402     336.032     400.000       9.595   12 
-    630000      126000.00      40.205       8.641      48.845   8.85 0.143 0.000 0.159 2.007     364.758     400.000      12.597   12 
-    640000      128000.00      32.574      14.400      46.974   5.28 0.071 0.800 0.282 1.980     295.527     400.000       8.435   12 
-    650000      130000.00      32.157      -3.156      29.001   6.48 0.071 0.000 0.136 0.692     291.742     400.000      10.859   12 
-    660000      132000.00      44.881       5.899      50.780   7.23 0.071 0.000 0.182 3.376     407.183     400.000      11.267   12 
-    670000      134000.00      33.197      10.807      44.004   5.58 0.000   NaN   NaN 1.093     301.179     400.000       9.921   12 
-    680000      136000.00      34.280       7.389      41.669   7.16 0.000   NaN   NaN 1.453     311.003     400.000      11.859   12 
-    690000      138000.00      40.675       3.777      44.452  10.31 0.143 0.000 0.159 2.106     369.023     400.000      14.079   12 
-    700000      140000.00      33.165      -2.288      30.877   8.03 0.000 1.000 0.182 2.098     300.890     400.000      11.943   12 
-    710000      142000.00      36.135      10.065      46.200   5.77 0.143 0.333 0.197 4.785     327.837     390.000       7.322   12 
-    720000      144000.00      39.736       2.991      42.726   5.89 0.000 1.000 0.227 1.392     360.503     390.000       8.270   12 
-    730000      146000.00      35.695      -1.601      34.094   6.50 0.071 0.750 0.398 2.475     323.847     390.000       8.905   12 
-    740000      148000.00      33.195       5.154      38.349   7.63 0.000 1.000 0.182 1.717     301.166     390.000      10.713   12 
-    750000      150000.00      38.834      -2.515      36.320   5.56 0.071 0.750 0.534 1.918     352.327     390.000       7.822   12 
-    760000      152000.00      41.407     -15.963      25.444   5.99 0.071 0.800 0.400 1.569     375.665     390.000       8.139   12 
-    770000      154000.00      33.838      12.708      46.546   5.67 0.000   NaN   NaN 1.657     306.996     390.000       9.290   12 
-    780000      156000.00      29.217     -14.795      14.423   7.05 0.071 0.500 0.182 2.925     265.076     390.000       7.668   12 
-    790000      158000.00      38.434      -0.101      38.333   7.56 0.000 1.000 0.136 2.418     348.694     390.000      10.759   12 
-    800000      160000.00      31.058       2.550      33.608   7.95 0.071 0.667 0.152 1.368     281.776     390.000      12.202   12 
-    810000      162000.00      31.133      -0.711      30.422   8.57 0.071 0.500 0.227 1.305     282.458     380.000      12.358   12 
-    820000      164000.00      41.862       3.130      44.992   6.03 0.000 1.000 0.245 2.681     379.798     380.000       9.818   12 
-    830000      166000.00      38.276      17.479      55.755   6.67 0.000   NaN   NaN 1.686     347.259     380.000      10.148   12 
-    840000      168000.00      31.250     -17.141      14.109   5.63 0.143 0.750 0.176 2.893     283.514     380.000       8.021   12 
-    850000      170000.00      35.443     -17.142      18.301   7.08 0.143 0.667 0.258 2.351     321.553     380.000       8.373   12 
-    860000      172000.00      31.193     -14.320      16.873   8.05 0.071 0.667 0.227 1.499     283.001     380.000      11.985   12 
-    870000      174000.00      48.211       7.115      55.326   7.71 0.286 0.333 0.167 1.436     437.397     380.000      11.668   12 
-    880000      176000.00      41.959      -2.944      39.016   9.53 0.000 1.000 0.136 3.297     380.677     380.000      12.605   12 
-    890000      178000.00      31.185      15.754      46.939   9.60 0.000 1.000 0.136 1.967     282.924     380.000      11.962   12 
-    900000      180000.00      43.243       4.999      48.242   4.82 0.071 0.667 0.318 2.549     392.319     380.000       7.582   12 
-    910000      182000.00      37.731       2.705      40.436   6.82 0.143 0.600 0.200 0.717     342.312     370.000       9.397   12 
-    920000      184000.00      31.149       6.631      37.781   9.48 0.071 0.500 0.182 1.241     282.603     370.000      12.613   12 
-    930000      186000.00      32.352      -2.140      30.212   5.65 0.071 0.000 0.136 1.745     293.513     370.000       8.466   12 
-    940000      188000.00      37.099      -1.227      35.872   9.24 0.071 0.667 0.152 2.007     336.583     370.000      12.302   12 
-    950000      190000.00      33.597       7.292      40.889   9.27 0.000 1.000 0.182 2.247     304.809     370.000      11.420   12 
-    960000      192000.00      24.700      -8.028      16.673   6.08 0.214 0.571 0.325 1.061     224.094     370.000       7.567   12 
-    970000      194000.00      35.486      -3.846      31.641   5.23 0.143 0.500 0.500 1.036     321.952     370.000       9.558   12 
-    980000      196000.00      37.556      -5.124      32.432   4.99 0.214 0.500 0.258 2.328     340.731     370.000       8.352   12 
-    990000      198000.00      44.583      -1.089      43.494   7.13 0.143 0.714 0.253 3.421     404.482     370.000       7.723   12 
-   1000000      200000.00      28.331      -4.910      23.422   6.31 0.143 0.714 0.364 2.067     257.037     370.000       7.048   12 
+     10000        2000.00      33.024      -6.513      26.511   6.26 0.000 1.000 0.439 1.388     299.614     370.000       8.638   12 
+     20000        4000.00      36.982       6.565      43.547   9.33 0.000 1.000 0.136 3.468     335.522     370.000      13.514   12 
+     30000        6000.00      38.465       9.552      48.017   7.57 0.000 1.000 0.227 2.062     348.976     370.000      11.979   12 
+     40000        8000.00      36.770       5.642      42.412   6.02 0.000 1.000 0.227 1.310     333.600     370.000       9.365   12 
+     50000       10000.00      46.769       9.148      55.916   5.93 0.000 1.000 0.182 2.801     424.308     370.000      10.289   12 
+     60000       12000.00      33.865      -3.387      30.478   6.63 0.071 0.500 0.205 1.463     307.240     370.000      10.436   12 
+     70000       14000.00      42.384       2.827      45.211   4.91 0.143 0.600 0.473 1.315     384.534     370.000       8.689   12 
+     80000       16000.00      51.254      -6.126      45.128   4.21 0.071 0.500 0.182 1.123     465.007     370.000       9.334   12 
+     90000       18000.00      34.033      -0.202      33.831   7.05 0.071 0.857 0.331 2.003     308.768     370.000       7.785   12 
+    100000       20000.00      37.469       3.938      41.408   4.70 0.071 0.667 0.242 3.312     339.940     370.000       8.549   12 
+    110000       22000.00      42.270      -2.925      39.345   8.25 0.071 0.500 0.136 2.164     383.493     360.000      11.384   12 
+    120000       24000.00      35.930     -24.151      11.779   4.20 0.286 0.429 0.383 1.676     325.980     360.000       8.022   12 
+    130000       26000.00      33.579      -7.082      26.497   5.07 0.143 0.800 0.550 2.578     304.645     360.000       7.224   12 
+    140000       28000.00      29.877      -5.365      24.511   7.82 0.000 1.000 0.227 1.884     271.059     360.000      11.238   12 
+    150000       30000.00      29.277      -5.227      24.050   5.10 0.143 0.333 0.424 1.406     265.620     360.000       8.810   12 
+    160000       32000.00      41.107      -2.393      38.714   6.22 0.000 1.000 0.212 2.831     372.943     360.000      10.428   12 
+    170000       34000.00      43.774      -1.277      42.497   7.37 0.000 1.000 0.191 2.851     397.140     360.000       8.653   12 
+    180000       36000.00      33.471      -5.446      28.025   4.97 0.000 1.000 0.227 2.173     303.667     360.000       8.607   12 
+    190000       38000.00      40.481     -10.260      30.221   4.75 0.214 0.400 0.264 2.587     367.265     360.000       7.808   12 
+    200000       40000.00      45.518      -4.940      40.578   5.25 0.071 0.500 0.386 2.207     412.965     360.000       9.226   12 
+    210000       42000.00      29.379      -8.637      20.742   6.09 0.214 0.500 0.470 1.491     266.540     350.000       7.575   12 
+    220000       44000.00      33.801       4.888      38.689   4.94 0.357 0.375 0.227 2.392     306.662     350.000       8.238   12 
+    230000       46000.00      34.213     -13.171      21.043   3.84 0.214 0.750 0.258 2.057     310.400     350.000       7.840   12 
+    240000       48000.00      39.879       0.422      40.302   9.69 0.000 1.000 0.205 1.483     361.807     350.000      13.610   12 
+    250000       50000.00      30.068     -11.946      18.122   6.82 0.143 0.778 0.369 1.311     272.795     350.000       6.773   12 
+    260000       52000.00      36.908      -8.849      28.059   4.73 0.000 1.000 0.491 1.163     334.851     350.000       7.876   12 
+    270000       54000.00      39.812       0.041      39.853   6.03 0.143 0.800 0.327 1.363     361.197     350.000       7.630   12 
+    280000       56000.00      31.400      -0.743      30.657   7.88 0.071 0.500 0.159 1.948     284.878     350.000      11.006   12 
+    290000       58000.00      34.490       4.356      38.846   5.22 0.071 0.750 0.170 1.528     312.908     350.000       9.172   12 
+    300000       60000.00      33.353     -16.967      16.385   5.74 0.143 0.818 0.401 2.097     302.592     350.000       6.684   12 
+    310000       62000.00      36.600     -17.237      19.363   3.81 0.357 0.615 0.374 1.775     332.050     340.000       6.813   12 
+    320000       64000.00      34.016     -12.546      21.470   8.28 0.214 0.000 0.152 1.765     308.610     340.000      12.305   12 
+    330000       66000.00      34.690     -11.745      22.946   6.82 0.143 0.600 0.173 1.961     314.730     340.000       8.880   12 
+    340000       68000.00      36.217     -13.949      22.268   3.98 0.071 0.833 0.394 2.510     328.581     340.000       7.451   12 
+    350000       70000.00      23.332     -11.833      11.499   5.50 0.286 0.429 0.253 1.654     211.682     340.000       7.552   12 
+    360000       72000.00      26.086     -26.590      -0.504   6.49 0.071 0.800 0.309 1.568     236.667     340.000       7.639   12 
+    370000       74000.00      30.452      -3.730      26.722   5.46 0.071 0.667 0.212 3.537     276.279     340.000       8.358   12 
+    380000       76000.00      29.617      -8.973      20.644   4.71 0.143 0.600 0.327 3.418     268.705     340.000       8.625   12 
+    390000       78000.00      30.982     -13.848      17.135   5.10 0.071 0.667 0.288 1.600     281.089     340.000       8.179   12 
+    400000       80000.00      25.153       0.304      25.457   4.92 0.071 0.750 0.239 2.946     228.201     340.000       8.613   12 
+    410000       82000.00      44.569      -7.008      37.560   3.72 0.143 0.600 0.273 0.911     404.349     380.000       8.491   12 
+    420000       84000.00      37.132      13.366      50.499   7.93 0.071 0.000 0.182 2.321     336.884     380.000      11.705   12 
+    430000       86000.00      36.684       0.763      37.447   6.34 0.000 1.000 0.357 0.824     332.816     380.000       9.109   12 
+    440000       88000.00      40.859      -3.686      37.173   8.44 0.000 1.000 0.258 1.267     370.696     380.000      11.513   12 
+    450000       90000.00      39.412     -12.842      26.570   6.85 0.071 0.000 0.182 2.166     357.570     380.000       9.915   12 
+    460000       92000.00      40.918       0.639      41.557   6.44 0.143 0.000 0.136 2.049     371.226     380.000      10.491   12 
+    470000       94000.00      50.081      -4.658      45.423   4.50 0.071 0.750 0.261 2.485     454.360     380.000       8.784   12 
+    480000       96000.00      40.115       7.620      47.735   7.79 0.071 0.000 0.227 2.170     363.948     380.000      11.225   12 
+    490000       98000.00      32.792      -1.190      31.602   7.80 0.000 1.000 0.152 1.964     297.504     380.000      11.418   12 
+    500000      100000.00      34.745      10.616      45.361   9.15 0.000   NaN   NaN 4.071     315.222     380.000      13.168   12 
+    510000      102000.00      25.226      -2.765      22.461   5.17 0.143 0.500 0.159 3.500     228.862     370.000       9.943   12 
+    520000      104000.00      30.518      -1.226      29.293   5.51 0.071 0.500 0.182 1.306     276.877     370.000       7.839   12 
+    530000      106000.00      35.385      -6.553      28.832   5.91 0.071 0.750 0.307 0.899     321.034     370.000       9.475   12 
+    540000      108000.00      33.187      -3.400      29.787   7.08 0.071 0.667 0.212 1.147     301.089     370.000      11.348   12 
+    550000      110000.00      33.365      -3.622      29.743   7.91 0.071 0.500 0.136 1.617     302.705     370.000      11.308   12 
+    560000      112000.00      45.287      -5.324      39.962   8.04 0.000 1.000 0.197 3.110     410.863     370.000      11.343   12 
+    570000      114000.00      38.152      -3.278      34.874   5.49 0.214 0.571 0.305 3.224     346.139     370.000       8.527   12 
+    580000      116000.00      36.525      -5.205      31.320   5.54 0.071 0.500 0.182 0.824     331.373     370.000       7.605   12 
+    590000      118000.00      38.274      -3.085      35.189   7.53 0.000 1.000 0.220 1.474     347.238     370.000      10.049   12 
+    600000      120000.00      50.780       2.762      53.542   7.75 0.071 0.750 0.216 1.640     460.704     370.000      10.381   12 
+    610000      122000.00      44.136      -8.081      36.055   4.49 0.143 0.500 0.284 4.025     400.423     360.000       8.789   12 
+    620000      124000.00      29.695      -2.067      27.628   4.47 0.143 0.333 0.258 2.203     269.413     360.000       7.890   12 
+    630000      126000.00      31.716      -7.822      23.894   5.13 0.000 1.000 0.518 2.570     287.748     360.000       8.514   12 
+    640000      128000.00      29.587      -1.093      28.494   4.08 0.071 0.800 0.391 1.671     268.431     360.000       8.298   12 
+    650000      130000.00      29.321      -7.897      21.424   7.27 0.071 0.000 0.182 0.994     266.013     360.000      10.705   12 
+    660000      132000.00      41.846       5.509      47.354   5.70 0.214 0.500 0.311 3.796     379.646     360.000       8.527   12 
+    670000      134000.00      32.353      -6.711      25.642   9.45 0.071 0.500 0.182 1.208     293.526     360.000      12.808   12 
+    680000      136000.00      29.531      -4.945      24.587   7.60 0.000 1.000 0.227 1.546     267.924     360.000       9.809   12 
+    690000      138000.00      39.228      -4.649      34.579   5.90 0.000 1.000 0.205 1.972     355.894     360.000      10.638   12 
+    700000      140000.00      34.383      -6.795      27.588   5.87 0.143 0.667 0.273 0.956     311.939     360.000       8.759   12 
+    710000      142000.00      37.499      -5.468      32.031   8.19 0.143 0.500 0.170 1.592     340.211     350.000      12.024   12 
+    720000      144000.00      32.852     -19.057      13.795   6.05 0.071 0.667 0.182 1.158     298.051     350.000       9.212   12 
+    730000      146000.00      32.810       5.462      38.272   5.23 0.000 1.000 0.136 1.433     297.672     350.000       9.865   12 
+    740000      148000.00      36.464      -1.554      34.910   8.77 0.000 1.000 0.182 0.765     330.820     350.000      10.258   12 
+    750000      150000.00      38.782     -15.296      23.485   7.61 0.000 1.000 0.273 1.439     351.846     350.000      10.320   12 
+    760000      152000.00      32.021     -18.524      13.496   5.07 0.214 0.625 0.301 2.307     290.507     350.000       7.203   12 
+    770000      154000.00      35.079      -3.055      32.024   8.66 0.071 0.000 0.182 2.333     318.253     350.000      11.627   12 
+    780000      156000.00      29.718     -10.238      19.480   5.04 0.000 1.000 0.136 1.055     269.615     350.000       8.664   12 
+    790000      158000.00      30.835      -5.123      25.712   5.38 0.071 0.889 0.288 2.556     279.749     350.000       8.232   12 
+    800000      160000.00      30.528     -15.709      14.819   6.65 0.214 0.667 0.343 2.713     276.968     350.000       7.163   12 
+    810000      162000.00      29.026     -29.177      -0.151   5.38 0.286 0.636 0.298 1.909     263.339     340.000       7.217   12 
+    820000      164000.00      38.644     -19.913      18.731   4.43 0.143 0.500 0.239 2.171     350.596     340.000       7.301   12 
+    830000      166000.00      28.925     -14.147      14.778   5.29 0.071 0.800 0.164 1.861     262.423     340.000       9.851   12 
+    840000      168000.00      28.142     -19.743       8.398   8.49 0.214 0.571 0.175 2.676     255.315     340.000      11.820   12 
+    850000      170000.00      31.087       5.718      36.805   5.85 0.000 1.000 0.227 2.299     282.037     340.000       9.341   12 
+    860000      172000.00      25.716     -23.279       2.437   4.53 0.286 0.636 0.273 1.287     233.306     340.000       7.341   12 
+    870000      174000.00      40.339       3.887      44.225   8.25 0.143 0.333 0.152 1.426     365.973     340.000      10.986   12 
+    880000      176000.00      41.163     -20.328      20.835   6.11 0.071 0.857 0.312 2.045     373.449     340.000       6.798   12 
+    890000      178000.00      28.420     -28.548      -0.128   4.16 0.214 0.571 0.227 1.737     257.839     340.000       7.903   12 
+    900000      180000.00      37.983       1.432      39.415   4.45 0.143 0.667 0.273 2.967     344.605     340.000       8.138   12 
+    910000      182000.00      34.845     -14.826      20.020   4.52 0.071 0.857 0.409 1.943     316.133     330.000       6.906   12 
+    920000      184000.00      28.376     -19.603       8.773   3.95 0.214 0.700 0.245 1.158     257.442     330.000       7.441   12 
+    930000      186000.00      31.667      -6.232      25.435   4.99 0.071 0.750 0.239 2.293     287.295     330.000       9.241   12 
+    940000      188000.00      32.804     -12.987      19.817   6.36 0.143 0.500 0.182 1.094     297.615     330.000       8.828   12 
+    950000      190000.00      33.139     -20.144      12.994   5.20 0.000 1.000 0.355 1.065     300.652     330.000       7.663   12 
+    960000      192000.00      21.090     -29.944      -8.854   6.87 0.143 0.846 0.350 1.332     191.337     330.000       7.050   12 
+    970000      194000.00      36.175     -24.877      11.298   5.94 0.214 0.667 0.268 1.289     328.194     330.000       7.129   12 
+    980000      196000.00      31.151     -15.509      15.642   4.15 0.214 0.727 0.256 3.776     282.621     330.000       7.895   12 
+    990000      198000.00      34.662     -18.597      16.065   7.86 0.143 0.500 0.148 1.913     314.473     330.000      11.903   12 
+   1000000      200000.00      26.060     -15.507      10.554   5.70 0.000   NaN   NaN 0.824     236.434     330.000       8.821   12 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB013.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
index c1252ad..501dd3c 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
@@ -1,101 +1,101 @@
          0           0.00      40.779     671.033     711.812   0.00 1.000 0.000 0.308 8.654     369.966     380.000       7.001   13 
-     10000        2000.00      40.533       2.344      42.877   7.23 0.000 1.000 0.152 2.214     367.734     380.000      11.098   13 
-     20000        4000.00      39.373       3.106      42.478   9.57 0.143 0.000 0.159 2.529     357.208     380.000      13.714   13 
-     30000        6000.00      34.746       6.251      40.997   5.38 0.000 1.000 0.364 2.291     315.232     380.000       8.192   13 
-     40000        8000.00      36.962      -3.301      33.660   4.24 0.143 0.333 0.152 2.493     335.334     380.000       7.640   13 
-     50000       10000.00      38.294       6.236      44.530  11.27 0.071 0.000 0.136 1.096     347.423     380.000      14.747   13 
-     60000       12000.00      31.254      -3.502      27.752   4.77 0.214 0.500 0.250 0.947     283.554     380.000       8.077   13 
-     70000       14000.00      31.932      -2.797      29.136   5.13 0.071 0.800 0.209 2.071     289.706     380.000       8.728   13 
-     80000       16000.00      34.279      -6.621      27.658   4.37 0.000 1.000 0.394 1.865     310.996     380.000       8.563   13 
-     90000       18000.00      31.362       2.258      33.620   5.08 0.071 0.750 0.489 2.444     284.532     380.000       8.226   13 
-    100000       20000.00      29.983      -3.877      26.105   9.26 0.071 0.750 0.239 1.850     272.017     380.000      11.460   13 
-    110000       22000.00      37.933      -3.899      34.034   4.92 0.000 1.000 0.333 1.386     344.148     370.000       8.015   13 
-    120000       24000.00      45.589      -7.056      38.533   6.00 0.071 0.667 0.242 4.974     413.611     370.000       8.565   13 
-    130000       26000.00      26.352      -5.643      20.709   6.14 0.071 0.500 0.159 1.886     239.077     370.000       8.755   13 
-    140000       28000.00      33.874      -6.417      27.457   5.46 0.143 0.600 0.618 2.622     307.326     370.000       8.741   13 
-    150000       30000.00      36.221      -3.987      32.234   5.71 0.143 0.600 0.182 3.312     328.612     370.000       8.558   13 
-    160000       32000.00      33.671      -6.061      27.610   6.06 0.143 0.778 0.399 2.765     305.482     370.000       7.473   13 
-    170000       34000.00      42.779       7.139      49.919   9.23 0.000 1.000 0.212 2.156     388.116     370.000      11.425   13 
-    180000       36000.00      41.705      -3.179      38.526   8.88 0.071 0.500 0.182 1.665     378.366     370.000      12.222   13 
-    190000       38000.00      29.545       5.356      34.900   8.25 0.071 0.500 0.182 2.653     268.045     370.000      10.286   13 
-    200000       40000.00      36.252     -14.596      21.656   5.04 0.071 0.750 0.432 1.362     328.897     370.000       7.506   13 
-    210000       42000.00      27.574       4.349      31.923   9.40 0.143 0.333 0.152 1.778     250.167     360.000      12.311   13 
-    220000       44000.00      27.005      -6.374      20.630   6.52 0.000 1.000 0.364 2.872     244.999     360.000       7.013   13 
-    230000       46000.00      33.766      -3.057      30.709   6.90 0.071 0.833 0.197 2.695     306.345     360.000       9.424   13 
-    240000       48000.00      37.416      -6.470      30.946   6.71 0.071 0.500 0.227 2.440     339.457     360.000      10.948   13 
-    250000       50000.00      34.942      -1.418      33.525   7.74 0.000 1.000 0.273 3.021     317.015     360.000      11.351   13 
-    260000       52000.00      36.276       4.028      40.304   9.57 0.143 0.500 0.193 2.882     329.116     360.000      11.604   13 
-    270000       54000.00      32.191     -10.810      21.381   6.86 0.071 0.000 0.136 1.266     292.053     360.000       8.698   13 
-    280000       56000.00      34.653      -1.506      33.148   4.96 0.071 0.750 0.273 1.165     314.394     360.000       7.505   13 
-    290000       58000.00      38.977       0.059      39.036   6.09 0.000 1.000 0.336 1.656     353.619     360.000       7.817   13 
-    300000       60000.00      35.180      -6.930      28.250   6.62 0.071 0.500 0.136 1.634     319.167     360.000       9.172   13 
-    310000       62000.00      35.950      -7.736      28.215   4.23 0.143 0.667 0.424 1.914     326.158     350.000       8.391   13 
-    320000       64000.00      38.703     -15.670      23.033   6.44 0.143 0.000 0.159 1.052     351.132     350.000       9.937   13 
-    330000       66000.00      35.638       1.426      37.064   7.00 0.071 0.667 0.227 0.953     323.331     350.000      10.166   13 
-    340000       68000.00      29.259       1.974      31.233   8.52 0.286 0.000 0.148 1.828     265.457     350.000      13.215   13 
-    350000       70000.00      27.618       2.212      29.830   8.02 0.071 0.667 0.227 1.662     250.567     350.000       8.523   13 
-    360000       72000.00      35.920     -22.600      13.320   5.02 0.071 0.900 0.364 1.695     325.888     350.000       7.203   13 
-    370000       74000.00      34.293       0.057      34.349   6.69 0.214 0.571 0.221 2.625     311.121     350.000       9.865   13 
-    380000       76000.00      38.003     -12.858      25.145   5.41 0.000 1.000 0.455 1.786     344.783     350.000       6.894   13 
-    390000       78000.00      33.319      -2.294      31.025   5.54 0.071 0.500 0.159 1.161     302.286     350.000       9.707   13 
-    400000       80000.00      33.109      -2.281      30.828   6.13 0.000   NaN   NaN 1.282     300.383     350.000      10.672   13 
-    410000       82000.00      37.682       4.227      41.908   8.68 0.000 1.000 0.307 2.972     341.866     370.000       9.962   13 
-    420000       84000.00      30.912       8.379      39.291   7.38 0.071 0.857 0.240 2.705     280.452     370.000       7.486   13 
-    430000       86000.00      29.045      -0.778      28.267   7.45 0.000 1.000 0.331 1.442     263.508     370.000       7.414   13 
-    440000       88000.00      38.764      14.771      53.535   4.63 0.000 1.000 0.391 2.962     351.688     370.000       7.969   13 
-    450000       90000.00      34.555     -11.025      23.530   6.31 0.214 0.571 0.214 1.993     313.504     370.000       9.067   13 
-    460000       92000.00      41.375      -0.365      41.010   7.55 0.000 1.000 0.273 2.117     375.376     370.000      10.510   13 
-    470000       94000.00      39.778       7.014      46.792   6.31 0.071 0.000 0.136 3.871     360.889     370.000      10.342   13 
-    480000       96000.00      31.073       6.487      37.560   5.20 0.071 0.667 0.182 1.237     281.912     370.000       9.184   13 
-    490000       98000.00      42.480      -0.161      42.319   4.29 0.000 1.000 0.773 2.118     385.402     370.000       8.551   13 
-    500000      100000.00      53.116      -5.002      48.114   5.53 0.071 0.750 0.182 1.422     481.897     370.000      10.051   13 
-    510000      102000.00      34.218       0.048      34.266   8.96 0.000 1.000 0.227 1.257     310.443     360.000      12.255   13 
-    520000      104000.00      39.385      -4.610      34.775   5.36 0.143 0.750 0.426 1.193     357.319     360.000       7.723   13 
-    530000      106000.00      36.847     -17.849      18.998   7.91 0.000 1.000 0.227 2.702     334.295     360.000      10.744   13 
-    540000      108000.00      32.628     -11.770      20.858   4.02 0.143 0.600 0.209 1.526     296.015     360.000       8.449   13 
-    550000      110000.00      36.257      -8.266      27.991   6.10 0.071 0.833 0.348 1.331     328.946     360.000       7.859   13 
-    560000      112000.00      37.394      -4.346      33.048   5.64 0.071 0.500 0.182 3.019     339.259     360.000       9.696   13 
-    570000      114000.00      46.662       4.263      50.926   6.89 0.071 0.833 0.326 3.083     423.345     360.000       7.352   13 
-    580000      116000.00      37.547      -2.209      35.338   8.46 0.071 0.500 0.227 1.289     340.646     360.000      12.229   13 
-    590000      118000.00      32.425      -5.099      27.326   4.40 0.000 1.000 0.261 1.995     294.180     360.000       7.800   13 
-    600000      120000.00      31.669     -12.131      19.538   3.93 0.143 0.818 0.426 1.201     287.315     360.000       8.291   13 
-    610000      122000.00      41.882       2.755      44.637   4.65 0.071 0.000 0.727 1.863     379.973     350.000       8.168   13 
-    620000      124000.00      33.363     -12.452      20.912   4.85 0.214 0.400 0.245 1.858     302.690     350.000       8.596   13 
-    630000      126000.00      35.836      -0.949      34.887   5.88 0.071 0.750 0.398 2.054     325.124     350.000       8.147   13 
-    640000      128000.00      32.419      -4.412      28.007   5.41 0.000 1.000 0.258 2.798     294.120     350.000       8.693   13 
-    650000      130000.00      49.208      -8.359      40.849   3.85 0.214 0.250 0.455 1.671     446.444     350.000       8.696   13 
-    660000      132000.00      28.874      -9.846      19.029   4.77 0.000 1.000 0.341 1.028     261.964     350.000       8.486   13 
-    670000      134000.00      34.745     -19.758      14.987   6.12 0.071 0.800 0.273 1.133     315.227     350.000       8.482   13 
-    680000      136000.00      27.169      -1.124      26.045   3.71 0.214 0.000 0.288 1.683     246.488     350.000       8.385   13 
-    690000      138000.00      35.786     -11.385      24.401   4.33 0.143 0.500 0.318 1.875     324.671     350.000       8.688   13 
-    700000      140000.00      32.000     -14.399      17.601   6.26 0.214 0.700 0.345 1.870     290.316     350.000       7.142   13 
-    710000      142000.00      29.685       6.693      36.378   6.61 0.000 1.000 0.235 1.723     269.320     340.000       7.646   13 
-    720000      144000.00      36.639      -7.353      29.286  10.21 0.071 0.500 0.159 2.246     332.404     340.000      14.087   13 
-    730000      146000.00      33.700      -8.674      25.026   7.53 0.143 0.667 0.333 2.452     305.742     340.000      10.252   13 
-    740000      148000.00      26.581      -7.476      19.106   5.97 0.071 0.667 0.152 1.175     241.159     340.000       7.905   13 
-    750000      150000.00      32.434     -13.641      18.793   5.41 0.071 0.857 0.455 1.587     294.256     340.000       7.667   13 
-    760000      152000.00      40.523     -15.599      24.924   4.15 0.143 0.667 0.258 2.055     367.645     340.000       8.257   13 
-    770000      154000.00      37.282      -7.626      29.656   5.92 0.214 0.500 0.167 1.532     338.238     340.000       8.068   13 
-    780000      156000.00      37.377      -1.666      35.711   9.64 0.143 0.000 0.159 1.181     339.101     340.000      13.778   13 
-    790000      158000.00      35.565      -7.408      28.157   4.74 0.143 0.833 0.341 2.101     322.667     340.000       7.169   13 
-    800000      160000.00      26.292      -5.885      20.407   4.90 0.000 1.000 0.288 1.787     238.538     340.000       7.442   13 
-    810000      162000.00      26.840     -15.741      11.099   4.19 0.286 0.556 0.293 2.075     243.507     330.000       7.421   13 
-    820000      164000.00      33.341     -12.551      20.790   8.32 0.214 0.000 0.152 1.827     302.491     330.000      12.026   13 
-    830000      166000.00      26.322      -4.648      21.674   8.01 0.143 0.600 0.200 2.205     238.802     330.000      11.029   13 
-    840000      168000.00      37.972      -4.834      33.138   6.32 0.071 0.000 0.136 3.701     344.499     330.000       9.384   13 
-    850000      170000.00      34.918     -16.945      17.972   6.20 0.071 0.800 0.318 1.858     316.790     330.000       7.453   13 
-    860000      172000.00      36.805     -21.773      15.031   6.29 0.000 1.000 0.212 2.098     333.911     330.000       9.322   13 
-    870000      174000.00      40.655     -24.876      15.779   4.82 0.214 0.625 0.227 3.310     368.842     330.000       8.254   13 
-    880000      176000.00      31.964     -17.082      14.882   4.63 0.143 0.714 0.351 1.061     289.997     330.000       8.568   13 
-    890000      178000.00      31.339      -9.898      21.442   5.08 0.071 0.800 0.282 1.979     284.328     330.000       8.139   13 
-    900000      180000.00      32.077     -15.225      16.852   9.18 0.214 0.500 0.167 1.353     291.019     330.000      11.517   13 
-    910000      182000.00      34.873     -12.782      22.091   5.01 0.143 0.500 0.330 0.928     316.385     350.000       7.434   13 
-    920000      184000.00      31.526     -16.335      15.190   4.77 0.143 0.667 0.273 1.572     286.017     350.000       8.078   13 
-    930000      186000.00      36.370      -2.835      33.535   5.97 0.000 1.000 0.282 2.008     329.966     350.000       8.087   13 
-    940000      188000.00      32.452      -3.637      28.815   4.96 0.143 0.667 0.250 2.110     294.424     350.000       7.682   13 
-    950000      190000.00      30.217     -16.201      14.016   4.30 0.286 0.500 0.472 1.588     274.144     350.000       7.451   13 
-    960000      192000.00      41.611     -18.767      22.844   3.31 0.286 0.667 0.337 2.832     377.517     350.000       6.973   13 
-    970000      194000.00      26.601     -15.396      11.205   6.48 0.143 0.667 0.144 1.577     241.340     350.000       9.456   13 
-    980000      196000.00      33.660      -7.602      26.058   9.03 0.071 0.000 0.136 0.504     305.379     350.000      12.576   13 
-    990000      198000.00      38.223      -4.038      34.185   3.46 0.143 0.750 0.301 1.381     346.778     350.000       7.514   13 
-   1000000      200000.00      45.372      -5.392      39.980  12.71 0.143 0.333 0.152 2.039     411.635     350.000      15.685   13 
+     10000        2000.00      37.919       4.496      42.415   5.25 0.000 1.000 0.136 3.689     344.021     380.000       8.060   13 
+     20000        4000.00      40.041      13.304      53.345   7.03 0.000 1.000 0.159 2.189     363.269     380.000      10.770   13 
+     30000        6000.00      33.587       4.322      37.909   7.89 0.071 0.667 0.227 2.212     304.717     380.000      11.715   13 
+     40000        8000.00      37.313       3.933      41.246   5.70 0.000 1.000 0.273 1.383     338.519     380.000      10.614   13 
+     50000       10000.00      35.036      18.939      53.974  10.35 0.000   NaN   NaN 1.168     317.861     380.000      13.318   13 
+     60000       12000.00      34.137       6.069      40.206   9.69 0.000   NaN   NaN 1.511     309.705     380.000      13.458   13 
+     70000       14000.00      34.630       0.636      35.266   4.51 0.000 1.000 0.422 1.827     314.178     380.000       8.339   13 
+     80000       16000.00      38.347      10.494      48.841   6.90 0.000 1.000 0.159 1.859     347.904     380.000      10.271   13 
+     90000       18000.00      31.216      10.493      41.709   5.74 0.143 0.667 0.356 1.413     283.205     380.000       7.772   13 
+    100000       20000.00      33.125      15.289      48.414   9.90 0.000   NaN   NaN 1.375     300.529     380.000      14.156   13 
+    110000       22000.00      41.295       6.154      47.448  10.42 0.000 1.000 0.227 3.829     374.647     400.000      13.269   13 
+    120000       24000.00      48.327       4.676      53.003   6.25 0.071 0.000 0.182 1.605     438.449     400.000      10.043   13 
+    130000       26000.00      29.304      -3.075      26.229   5.25 0.071 0.500 0.182 1.824     265.861     400.000       9.547   13 
+    140000       28000.00      41.124      13.996      55.120  11.15 0.071 0.000 0.136 0.954     373.097     400.000      14.381   13 
+    150000       30000.00      43.501      -2.112      41.390   6.45 0.071 0.000 0.182 1.838     394.665     400.000       9.989   13 
+    160000       32000.00      42.340       3.948      46.288  11.61 0.143 0.000 0.136 1.196     384.127     400.000      14.990   13 
+    170000       34000.00      33.192      -2.342      30.850   4.28 0.071 0.750 0.466 3.348     301.135     400.000       7.818   13 
+    180000       36000.00      45.655      21.607      67.262   6.59 0.071 0.500 0.159 2.717     414.210     400.000       9.216   13 
+    190000       38000.00      38.547       1.205      39.752   7.73 0.143 0.333 0.167 1.292     349.720     400.000      11.067   13 
+    200000       40000.00      46.502      -0.610      45.891   7.07 0.071 0.500 0.250 1.473     421.888     400.000       8.870   13 
+    210000       42000.00      34.411      -8.118      26.293   4.13 0.214 0.400 0.191 1.801     312.192     390.000       8.158   13 
+    220000       44000.00      32.072       8.597      40.669  11.73 0.000 1.000 0.273 1.816     290.972     390.000      14.334   13 
+    230000       46000.00      35.616       5.905      41.521   6.60 0.143 0.600 0.227 1.739     323.125     390.000       8.270   13 
+    240000       48000.00      41.151       8.476      49.627   6.32 0.000 1.000 0.205 1.860     373.346     390.000      10.347   13 
+    250000       50000.00      39.809      -0.696      39.114   7.44 0.071 0.500 0.318 2.300     361.172     390.000       8.643   13 
+    260000       52000.00      41.212      -2.961      38.251   6.02 0.071 0.000 0.182 2.140     373.895     390.000      10.513   13 
+    270000       54000.00      35.195      20.145      55.340   9.40 0.000 1.000 0.182 1.015     319.311     390.000      11.890   13 
+    280000       56000.00      35.086       2.466      37.552   5.27 0.143 0.500 0.182 0.814     318.317     390.000       8.725   13 
+    290000       58000.00      45.371      -4.600      40.772   4.70 0.143 0.500 0.159 2.358     411.631     390.000       8.983   13 
+    300000       60000.00      31.539      -1.962      29.577   7.07 0.000 1.000 0.227 1.615     286.142     390.000       9.428   13 
+    310000       62000.00      37.656     -11.150      26.507   3.98 0.071 0.800 0.500 1.775     341.638     380.000       7.743   13 
+    320000       64000.00      34.928       1.411      36.339   8.94 0.000   NaN   NaN 1.634     316.887     380.000      12.648   13 
+    330000       66000.00      38.663       2.323      40.986   6.44 0.071 0.800 0.236 1.605     350.771     380.000       8.938   13 
+    340000       68000.00      34.545      -9.907      24.638   6.01 0.071 0.500 0.386 0.986     313.410     380.000       9.391   13 
+    350000       70000.00      36.878      -9.295      27.584   8.77 0.000 1.000 0.250 1.231     334.578     380.000      11.356   13 
+    360000       72000.00      34.762       3.650      38.412   6.97 0.071 0.000 0.182 2.002     315.379     380.000      10.392   13 
+    370000       74000.00      41.720       1.588      43.308   9.07 0.000   NaN   NaN 2.952     378.507     380.000      12.983   13 
+    380000       76000.00      39.096       0.826      39.922   5.12 0.000 1.000 0.318 1.637     354.701     380.000       7.963   13 
+    390000       78000.00      32.751       2.268      35.018   5.84 0.143 0.750 0.261 2.298     297.132     380.000       8.093   13 
+    400000       80000.00      34.831      -6.146      28.684   8.60 0.000 1.000 0.136 2.066     316.000     380.000      11.012   13 
+    410000       82000.00      40.812     -13.781      27.031   5.23 0.143 0.714 0.325 1.300     370.264     370.000       7.999   13 
+    420000       84000.00      37.511      -1.333      36.178   4.79 0.071 0.500 0.386 2.170     340.317     370.000       8.526   13 
+    430000       86000.00      37.758      -0.212      37.546   6.61 0.071 0.500 0.182 1.433     342.557     370.000      10.267   13 
+    440000       88000.00      41.474      -2.048      39.425   6.31 0.000 1.000 0.307 2.292     376.272     370.000       9.618   13 
+    450000       90000.00      31.441       7.923      39.364   5.35 0.071 0.857 0.377 1.393     285.251     370.000       8.241   13 
+    460000       92000.00      36.558       9.705      46.263   5.78 0.000 1.000 0.500 1.812     331.675     370.000       7.918   13 
+    470000       94000.00      37.859       4.298      42.157   4.27 0.000 1.000 0.500 4.387     343.480     370.000       8.174   13 
+    480000       96000.00      37.020      -0.236      36.784   5.97 0.071 0.000 0.136 2.298     335.865     370.000       8.781   13 
+    490000       98000.00      44.357      10.856      55.213   8.97 0.071 0.000 0.182 2.829     402.428     370.000      12.275   13 
+    500000      100000.00      45.977       5.892      51.869   5.10 0.143 0.714 0.370 2.251     417.125     370.000       8.035   13 
+    510000      102000.00      37.049       0.989      38.038   5.88 0.071 0.667 0.136 1.312     336.124     360.000       9.557   13 
+    520000      104000.00      42.195      -2.425      39.770   5.01 0.071 0.500 0.159 1.265     382.810     360.000       9.004   13 
+    530000      106000.00      41.011     -17.090      23.921   5.33 0.071 0.750 0.216 1.981     372.070     360.000       8.121   13 
+    540000      108000.00      32.843       1.312      34.155   7.68 0.071 0.750 0.205 1.661     297.973     360.000       8.397   13 
+    550000      110000.00      40.355      -3.316      37.039   7.99 0.143 0.600 0.200 1.911     366.122     360.000      10.106   13 
+    560000      112000.00      39.109     -15.894      23.215   5.17 0.214 0.400 0.491 1.399     354.820     360.000       8.181   13 
+    570000      114000.00      44.613     -22.076      22.536   5.80 0.143 0.800 0.386 2.078     404.748     360.000       7.171   13 
+    580000      116000.00      43.007      -4.272      38.735   4.71 0.000 1.000 0.318 1.830     390.179     360.000       8.941   13 
+    590000      118000.00      31.527     -22.870       8.657   5.48 0.071 0.900 0.373 1.863     286.025     360.000       7.055   13 
+    600000      120000.00      32.656      -1.711      30.945   9.21 0.071 0.000 0.136 1.708     296.271     360.000      12.084   13 
+    610000      122000.00      41.035       7.016      48.051   7.27 0.000 1.000 0.227 2.208     372.294     400.000       9.400   13 
+    620000      124000.00      34.121       8.992      43.113   9.37 0.071 0.500 0.136 1.329     309.565     400.000      13.343   13 
+    630000      126000.00      39.907      -6.050      33.857   3.75 0.214 0.700 0.400 1.549     362.058     400.000       7.455   13 
+    640000      128000.00      35.235       6.561      41.796   9.59 0.000 1.000 0.182 1.819     319.670     400.000      11.674   13 
+    650000      130000.00      58.149      -0.370      57.779   5.11 0.143 0.000 0.159 1.491     527.558     400.000       9.466   13 
+    660000      132000.00      32.093       3.395      35.488   6.73 0.071 0.750 0.182 1.474     291.168     400.000       9.705   13 
+    670000      134000.00      35.389       7.846      43.235   4.74 0.000 1.000 0.212 2.063     321.070     400.000       9.370   13 
+    680000      136000.00      36.545      -0.184      36.360   5.20 0.071 0.800 0.509 1.030     331.551     400.000       7.588   13 
+    690000      138000.00      38.703      11.242      49.946   5.75 0.071 0.000 0.182 2.626     351.137     400.000       9.801   13 
+    700000      140000.00      33.960       1.228      35.188   8.06 0.000 1.000 0.227 0.978     308.105     400.000      11.998   13 
+    710000      142000.00      30.806      -2.480      28.326   7.30 0.000   NaN   NaN 2.835     279.490     390.000      11.112   13 
+    720000      144000.00      42.301       2.475      44.775   6.96 0.143 0.333 0.258 1.557     383.773     390.000       9.625   13 
+    730000      146000.00      45.369      -0.818      44.551   6.95 0.071 0.500 0.159 2.062     411.610     390.000      10.763   13 
+    740000      148000.00      37.251     -13.388      23.862   4.32 0.286 0.429 0.435 1.037     337.956     390.000       7.841   13 
+    750000      150000.00      32.964      12.544      45.508  10.54 0.000 1.000 0.182 2.393     299.065     390.000      13.217   13 
+    760000      152000.00      53.340       5.202      58.542   6.36 0.071 0.500 0.182 1.736     483.924     390.000      10.683   13 
+    770000      154000.00      45.735       5.856      51.591  10.00 0.000   NaN   NaN 2.575     414.936     390.000      13.467   13 
+    780000      156000.00      41.794      -6.191      35.603   4.87 0.286 0.556 0.510 1.857     379.178     390.000       7.795   13 
+    790000      158000.00      37.794      -8.611      29.182   5.49 0.000 1.000 0.250 0.761     342.883     390.000       9.564   13 
+    800000      160000.00      39.713       2.503      42.216   7.25 0.143 0.333 0.152 1.762     360.293     390.000      10.503   13 
+    810000      162000.00      34.022      15.362      49.384   7.08 0.000 1.000 0.136 1.544     308.663     380.000      10.788   13 
+    820000      164000.00      38.302       8.403      46.705   9.59 0.214 0.000 0.136 2.028     347.498     380.000      13.598   13 
+    830000      166000.00      34.638       0.914      35.552   6.39 0.071 0.000 0.136 2.587     314.254     380.000       9.705   13 
+    840000      168000.00      37.131       4.325      41.456   6.16 0.071 0.750 0.216 2.049     336.871     380.000       8.467   13 
+    850000      170000.00      42.135      -8.322      33.813   6.22 0.000 1.000 0.318 1.001     382.271     380.000       9.380   13 
+    860000      172000.00      31.042       5.273      36.315   8.32 0.214 0.250 0.148 2.187     281.630     380.000      10.515   13 
+    870000      174000.00      50.748      -0.697      50.051   8.63 0.000 1.000 0.136 1.936     460.411     380.000      12.095   13 
+    880000      176000.00      40.818       8.886      49.704   6.77 0.000 1.000 0.327 1.306     370.326     380.000       7.777   13 
+    890000      178000.00      39.825      -1.544      38.281   8.56 0.000   NaN   NaN 1.306     361.310     380.000      13.387   13 
+    900000      180000.00      33.608      -1.055      32.553   7.10 0.071 0.500 0.182 2.846     304.910     380.000      10.934   13 
+    910000      182000.00      34.832      -6.826      28.006   7.07 0.000 1.000 0.167 1.761     316.017     370.000      10.355   13 
+    920000      184000.00      35.335      -2.112      33.223   7.89 0.000   NaN   NaN 1.524     320.580     370.000       9.969   13 
+    930000      186000.00      39.290      -1.712      37.577   4.70 0.071 0.833 0.280 1.194     356.457     370.000       8.210   13 
+    940000      188000.00      33.012      -7.368      25.644   8.81 0.071 0.500 0.136 3.097     299.502     370.000      12.276   13 
+    950000      190000.00      28.388      -6.842      21.546   6.79 0.071 0.667 0.197 2.122     257.550     370.000      11.269   13 
+    960000      192000.00      43.350      15.610      58.960   5.43 0.143 0.000 0.159 3.370     393.297     370.000       9.084   13 
+    970000      194000.00      29.094      -0.575      28.519   7.98 0.357 0.286 0.182 1.835     263.957     370.000      10.850   13 
+    980000      196000.00      32.035     -14.376      17.659   4.85 0.214 0.400 0.155 1.859     290.640     370.000       9.543   13 
+    990000      198000.00      41.580     -10.190      31.390   4.44 0.214 0.400 0.155 1.590     377.237     370.000       8.075   13 
+   1000000      200000.00      39.977      17.191      57.168   5.47 0.143 0.333 0.197 1.391     362.690     370.000       9.001   13 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB014.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB014.stat
index 9cf6ce2..6a2caa0 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB014.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB014.stat
@@ -1,101 +1,101 @@
          0           0.00      54.358     671.758     726.117   0.00 1.000 0.000 0.308 8.653     493.167     390.000       7.001   14 
-     10000        2000.00      37.366      -8.565      28.801   6.60 0.071 0.500 0.227 1.067     339.007     390.000      10.508   14 
-     20000        4000.00      37.656       6.780      44.436   7.58 0.071 0.000 0.182 2.160     341.633     390.000      11.076   14 
-     30000        6000.00      36.078      -2.116      33.961   5.85 0.286 0.500 0.239 1.956     327.315     390.000       9.045   14 
-     40000        8000.00      32.972      -3.397      29.575   7.10 0.071 0.857 0.396 1.059     299.135     390.000       9.723   14 
-     50000       10000.00      37.051       0.609      37.660   9.19 0.000   NaN   NaN 2.092     336.149     390.000      12.405   14 
-     60000       12000.00      43.481       4.302      47.782   4.54 0.214 0.250 0.284 1.336     394.478     390.000       8.496   14 
-     70000       14000.00      39.499      -0.492      39.007   9.62 0.000 1.000 0.227 0.567     358.355     390.000      12.611   14 
-     80000       16000.00      33.960       1.627      35.587   5.47 0.071 0.000 0.182 1.225     308.102     390.000       9.648   14 
-     90000       18000.00      44.261      -8.025      36.236   5.70 0.000 1.000 0.330 1.914     401.561     390.000       8.052   14 
-    100000       20000.00      48.391       3.810      52.202   5.51 0.071 0.667 0.197 3.220     439.032     390.000       8.354   14 
-    110000       22000.00      38.547      12.335      50.882   5.01 0.071 0.800 0.255 2.433     349.718     400.000       7.240   14 
-    120000       24000.00      44.957      16.826      61.783   5.94 0.000   NaN   NaN 2.548     407.873     400.000       9.609   14 
-    130000       26000.00      47.726       0.619      48.345   6.33 0.071 0.857 0.286 4.481     432.998     400.000       7.657   14 
-    140000       28000.00      40.158      -7.074      33.085   4.69 0.143 0.714 0.351 2.914     364.338     400.000       7.991   14 
-    150000       30000.00      34.151      -5.066      29.085   6.12 0.143 0.600 0.391 1.813     309.836     400.000       8.167   14 
-    160000       32000.00      35.310       0.774      36.085   5.16 0.000 1.000 0.727 1.842     320.352     400.000       8.873   14 
-    170000       34000.00      37.826      -8.709      29.117   8.25 0.000   NaN   NaN 1.127     343.176     400.000      11.842   14 
-    180000       36000.00      35.712       8.650      44.363   6.57 0.143 0.333 0.197 1.858     324.001     400.000       7.888   14 
-    190000       38000.00      41.942       7.240      49.182   8.12 0.000 1.000 0.182 1.964     380.516     400.000      11.977   14 
-    200000       40000.00      39.881       8.485      48.367   4.90 0.000 1.000 0.182 1.714     361.823     400.000       8.680   14 
-    210000       42000.00      49.018       9.145      58.163   4.82 0.214 0.400 0.155 2.288     444.718     390.000       8.401   14 
-    220000       44000.00      41.538       2.497      44.035   7.40 0.000 1.000 0.182 1.573     376.857     390.000      10.761   14 
-    230000       46000.00      26.200      11.239      37.440   7.94 0.071 0.500 0.159 2.555     237.702     390.000      11.913   14 
-    240000       48000.00      43.127       0.700      43.827   5.60 0.000   NaN   NaN 2.463     391.271     390.000      10.311   14 
-    250000       50000.00      44.318       0.272      44.590   7.30 0.000 1.000 0.182 1.529     402.079     390.000       9.671   14 
-    260000       52000.00      35.022       4.142      39.164   4.50 0.000 1.000 0.136 0.981     317.739     390.000       8.904   14 
-    270000       54000.00      37.657       6.595      44.252   9.47 0.071 0.000 0.182 1.316     341.641     390.000      13.400   14 
-    280000       56000.00      42.153      12.580      54.733   6.91 0.286 0.556 0.212 2.734     382.430     390.000       9.813   14 
-    290000       58000.00      37.199       0.268      37.467   8.45 0.000   NaN   NaN 2.985     337.488     390.000      11.561   14 
-    300000       60000.00      30.675       7.180      37.856   6.92 0.143 0.600 0.318 2.289     278.302     390.000       8.864   14 
-    310000       62000.00      43.116      -5.063      38.054   6.29 0.071 0.667 0.515 1.026     391.174     400.000       8.792   14 
-    320000       64000.00      31.754     -11.864      19.890   5.78 0.071 0.833 0.250 0.700     288.088     400.000       8.102   14 
-    330000       66000.00      34.775      -0.359      34.416   5.91 0.071 0.667 0.258 0.932     315.499     400.000       7.932   14 
-    340000       68000.00      32.792       2.246      35.038   5.45 0.143 0.667 0.182 2.596     297.508     400.000       8.026   14 
-    350000       70000.00      40.775      -8.322      32.453   4.46 0.000 1.000 0.273 3.091     369.932     400.000       7.381   14 
-    360000       72000.00      42.652      13.881      56.534   8.45 0.071 0.667 0.364 1.429     386.965     400.000      10.226   14 
-    370000       74000.00      37.822      -1.940      35.882  11.36 0.071 0.500 0.227 1.357     343.143     400.000      14.479   14 
-    380000       76000.00      38.236       6.155      44.391  11.20 0.000   NaN   NaN 1.767     346.898     400.000      14.273   14 
-    390000       78000.00      33.414       3.473      36.887   9.52 0.071 0.000 0.182 0.920     303.150     400.000      13.352   14 
-    400000       80000.00      42.828      13.765      56.593   6.49 0.000 1.000 0.636 1.831     388.556     400.000       9.635   14 
-    410000       82000.00      39.254       0.772      40.026   7.26 0.000 1.000 0.159 1.896     356.135     390.000       9.611   14 
-    420000       84000.00      30.312      -9.380      20.932   7.20 0.071 0.000 0.227 1.421     275.007     390.000      10.154   14 
-    430000       86000.00      41.296       4.501      45.797   7.63 0.000 1.000 0.273 2.035     374.655     390.000       9.809   14 
-    440000       88000.00      36.752      16.494      53.246   8.18 0.071 0.000 0.136 1.837     333.432     390.000      12.381   14 
-    450000       90000.00      37.189       6.270      43.458   5.22 0.143 0.667 0.205 2.443     337.397     390.000       8.737   14 
-    460000       92000.00      33.269       5.881      39.150   4.63 0.143 0.333 0.152 1.157     301.833     390.000       7.973   14 
-    470000       94000.00      41.013       3.844      44.857   5.25 0.143 0.333 0.394 1.547     372.091     390.000       8.432   14 
-    480000       96000.00      38.356      -8.336      30.020   9.09 0.214 0.000 0.152 2.035     347.982     390.000      13.193   14 
-    490000       98000.00      40.312       8.681      48.994   8.46 0.000 1.000 0.273 1.624     365.733     390.000      10.711   14 
-    500000      100000.00      42.772       0.927      43.698   8.03 0.000 1.000 0.227 0.962     388.049     390.000      10.687   14 
-    510000      102000.00      43.932       3.319      47.251   9.31 0.000   NaN   NaN 1.840     398.569     380.000      12.887   14 
-    520000      104000.00      36.508       4.396      40.904   6.81 0.071 0.667 0.182 2.998     331.223     380.000       8.407   14 
-    530000      106000.00      36.592       9.973      46.565   6.58 0.000   NaN   NaN 1.575     331.982     380.000       9.886   14 
-    540000      108000.00      35.483       3.860      39.344   8.25 0.071 0.750 0.239 1.036     321.923     380.000      10.277   14 
-    550000      110000.00      35.167       0.587      35.753   7.57 0.143 0.333 0.152 2.181     319.050     380.000      10.642   14 
-    560000      112000.00      42.571       3.116      45.687   5.75 0.071 0.000 0.136 2.259     386.228     380.000       9.308   14 
-    570000      114000.00      45.962       0.958      46.920   5.24 0.071 0.667 0.227 2.079     416.987     380.000       8.650   14 
-    580000      116000.00      32.118      -7.186      24.932  11.55 0.071 0.000 0.182 2.322     291.389     380.000      14.825   14 
-    590000      118000.00      31.323      14.447      45.771   6.33 0.000 1.000 0.182 1.703     284.180     380.000       9.890   14 
-    600000      120000.00      39.549      -7.890      31.659   5.22 0.214 0.667 0.333 3.352     358.805     380.000       7.692   14 
-    610000      122000.00      41.366       1.282      42.647   7.97 0.071 0.000 0.136 1.469     375.290     370.000      11.866   14 
-    620000      124000.00      36.852      -5.724      31.128   9.76 0.071 0.000 0.136 1.703     334.342     370.000      12.409   14 
-    630000      126000.00      36.121      -5.361      30.760   8.69 0.071 0.750 0.182 1.826     327.711     370.000      10.867   14 
-    640000      128000.00      35.968      -2.363      33.604   6.02 0.143 0.800 0.277 2.354     326.316     370.000       9.175   14 
-    650000      130000.00      34.949      -5.591      29.359   5.63 0.143 0.667 0.189 1.877     317.080     370.000       8.203   14 
-    660000      132000.00      43.375     -20.560      22.816   6.54 0.071 0.667 0.227 1.826     393.524     370.000       8.318   14 
-    670000      134000.00      29.565       7.622      37.187   6.29 0.000 1.000 0.288 4.556     268.224     370.000       8.409   14 
-    680000      136000.00      30.356     -12.984      17.373   5.87 0.000 1.000 0.415 1.845     275.407     370.000       7.365   14 
-    690000      138000.00      37.174      -2.444      34.730   8.94 0.071 0.667 0.167 2.899     337.264     370.000      10.999   14 
-    700000      140000.00      33.083      -8.243      24.841   4.96 0.071 0.750 0.398 2.015     300.148     370.000       8.836   14 
-    710000      142000.00      36.980      -2.503      34.477   4.84 0.071 0.857 0.442 2.761     335.502     360.000       7.367   14 
-    720000      144000.00      37.369     -12.002      25.367   4.24 0.286 0.200 0.318 2.197     339.031     360.000       8.030   14 
-    730000      146000.00      33.727       1.987      35.714   7.96 0.000   NaN   NaN 2.690     305.992     360.000      11.579   14 
-    740000      148000.00      40.150     -11.157      28.993   4.13 0.214 0.250 0.239 2.804     364.260     360.000       8.918   14 
-    750000      150000.00      41.339      10.642      51.981   5.63 0.000 1.000 0.250 3.343     375.053     360.000       8.345   14 
-    760000      152000.00      38.853      -3.021      35.832   6.43 0.143 0.600 0.264 2.322     352.494     360.000       8.492   14 
-    770000      154000.00      41.392      -5.326      36.067   4.81 0.214 0.250 0.261 1.898     375.531     360.000       9.312   14 
-    780000      156000.00      42.090      -2.653      39.438   7.34 0.071 0.500 0.159 0.958     381.866     360.000      12.034   14 
-    790000      158000.00      32.874      -5.331      27.544   5.07 0.214 0.400 0.282 1.759     298.251     360.000       8.342   14 
-    800000      160000.00      36.598     -10.048      26.550  12.45 0.071 0.000 0.136 1.470     332.033     360.000      16.024   14 
-    810000      162000.00      36.784     -11.996      24.789   5.40 0.071 0.800 0.364 1.141     333.728     360.000       8.101   14 
-    820000      164000.00      42.594       1.775      44.368   4.67 0.214 0.250 0.330 3.367     386.431     360.000       8.500   14 
-    830000      166000.00      45.638      -7.645      37.994   6.78 0.071 0.000 0.136 4.418     414.054     360.000       9.399   14 
-    840000      168000.00      35.873       4.827      40.700  10.27 0.071 0.000 0.136 1.907     325.459     360.000      13.632   14 
-    850000      170000.00      30.474       3.330      33.803   5.51 0.071 0.500 0.205 1.710     276.473     360.000       8.385   14 
-    860000      172000.00      40.332       2.361      42.693   7.35 0.143 0.714 0.182 1.993     365.912     360.000      11.074   14 
-    870000      174000.00      44.064      -3.806      40.258   5.25 0.143 0.600 0.245 1.812     399.775     360.000       7.932   14 
-    880000      176000.00      34.588     -11.011      23.577   5.29 0.071 0.750 0.307 2.046     313.804     360.000       8.278   14 
-    890000      178000.00      39.699       6.990      46.689   8.23 0.071 0.750 0.170 3.372     360.167     360.000      12.377   14 
-    900000      180000.00      35.925      -6.570      29.355   5.65 0.214 0.667 0.278 1.876     325.934     360.000       7.196   14 
-    910000      182000.00      32.870      -0.810      32.059   6.09 0.143 0.600 0.227 1.361     298.211     380.000       8.666   14 
-    920000      184000.00      37.276       8.764      46.040   6.74 0.143 0.333 0.167 2.509     338.189     380.000       9.617   14 
-    930000      186000.00      38.287       2.040      40.328   8.16 0.000   NaN   NaN 1.358     347.362     380.000      12.348   14 
-    940000      188000.00      41.446       0.401      41.847   6.36 0.214 0.250 0.148 2.255     376.019     380.000       8.500   14 
-    950000      190000.00      40.060       5.665      45.725   7.77 0.000 1.000 0.212 2.331     363.449     380.000      11.160   14 
-    960000      192000.00      34.335       2.391      36.726   5.79 0.286 0.000 0.148 2.906     311.505     380.000      10.558   14 
-    970000      194000.00      48.219       7.045      55.265  10.06 0.143 0.333 0.152 1.442     437.470     380.000      13.980   14 
-    980000      196000.00      35.509       4.914      40.423   5.55 0.000 1.000 0.282 1.108     322.155     380.000       7.849   14 
-    990000      198000.00      38.678      10.738      49.415   8.84 0.143 0.600 0.182 2.034     350.905     380.000      11.986   14 
-   1000000      200000.00      35.342      10.129      45.470  10.04 0.000 1.000 0.273 2.336     320.638     380.000      12.380   14 
+     10000        2000.00      32.051       5.737      37.788  10.41 0.071 0.500 0.159 1.507     290.784     390.000      13.279   14 
+     20000        4000.00      39.257       5.238      44.495   5.51 0.000 1.000 0.159 2.202     356.158     390.000       9.428   14 
+     30000        6000.00      37.971      -8.836      29.135   7.84 0.000 1.000 0.182 2.283     344.493     390.000      12.434   14 
+     40000        8000.00      31.299       8.960      40.259   9.38 0.000   NaN   NaN 3.274     283.960     390.000      13.345   14 
+     50000       10000.00      37.722      -0.560      37.162   5.78 0.071 0.000 0.182 2.654     342.238     390.000      10.037   14 
+     60000       12000.00      44.091      10.644      54.735   6.76 0.000 1.000 0.273 1.879     400.019     390.000       7.593   14 
+     70000       14000.00      30.293      15.803      46.096   6.25 0.000 1.000 0.136 1.118     274.837     390.000       9.144   14 
+     80000       16000.00      38.708      20.207      58.915   6.84 0.000 1.000 0.136 1.799     351.182     390.000      10.836   14 
+     90000       18000.00      42.109       6.089      48.198   6.60 0.071 0.500 0.159 2.706     382.036     390.000      10.408   14 
+    100000       20000.00      48.859      -3.239      45.620   5.89 0.071 0.667 0.439 1.877     443.272     390.000       8.338   14 
+    110000       22000.00      36.047       0.471      36.518   4.64 0.143 0.667 0.477 1.183     327.037     380.000       8.259   14 
+    120000       24000.00      40.990       1.887      42.877   5.90 0.000 1.000 0.261 1.810     371.886     380.000       9.082   14 
+    130000       26000.00      45.306       5.925      51.231   4.39 0.143 0.333 0.167 2.368     411.035     380.000       8.806   14 
+    140000       28000.00      38.681      -1.990      36.691   5.32 0.071 0.800 0.336 0.885     350.930     380.000       7.864   14 
+    150000       30000.00      33.502       3.037      36.538   6.90 0.000 1.000 0.182 1.370     303.947     380.000      11.470   14 
+    160000       32000.00      34.504       9.094      43.598   8.45 0.071 0.000 0.136 3.851     313.041     380.000      13.084   14 
+    170000       34000.00      35.330       0.047      35.377   3.00 0.357 0.375 0.216 0.650     320.531     380.000       7.687   14 
+    180000       36000.00      33.098      -5.982      27.116   9.06 0.143 0.500 0.216 1.425     300.282     380.000      12.091   14 
+    190000       38000.00      43.572      -4.378      39.194   5.48 0.000 1.000 0.364 2.880     395.303     380.000       8.349   14 
+    200000       40000.00      38.921      -2.331      36.589   4.89 0.071 0.000 0.227 2.650     353.109     380.000       9.673   14 
+    210000       42000.00      49.734       5.005      54.739   9.63 0.071 0.500 0.205 2.510     451.215     370.000      12.434   14 
+    220000       44000.00      40.274      -2.559      37.715   7.01 0.071 0.750 0.273 1.879     365.389     370.000       9.298   14 
+    230000       46000.00      29.739      -8.872      20.867   5.58 0.286 0.600 0.423 1.472     269.809     370.000       7.864   14 
+    240000       48000.00      35.630       6.203      41.832   9.81 0.000   NaN   NaN 3.450     323.252     370.000      12.905   14 
+    250000       50000.00      39.541      -7.294      32.247   6.36 0.071 0.667 0.212 1.711     358.738     370.000      10.117   14 
+    260000       52000.00      36.566      -9.160      27.406   8.41 0.214 0.000 0.152 1.672     331.743     370.000      11.713   14 
+    270000       54000.00      33.794      -7.544      26.250   7.56 0.143 0.500 0.159 1.175     306.596     370.000      11.343   14 
+    280000       56000.00      42.194      -0.112      42.082   4.66 0.214 0.625 0.239 1.135     382.804     370.000       7.652   14 
+    290000       58000.00      37.166       3.769      40.934   8.37 0.000 1.000 0.136 1.462     337.187     370.000      12.321   14 
+    300000       60000.00      35.341      -4.177      31.164   5.38 0.071 0.750 0.250 2.123     320.634     370.000       8.470   14 
+    310000       62000.00      42.263       2.534      44.798   9.01 0.000   NaN   NaN 1.841     383.433     360.000      13.068   14 
+    320000       64000.00      24.111     -11.665      12.445   4.53 0.143 0.667 0.530 2.382     218.745     360.000       8.376   14 
+    330000       66000.00      32.648      -7.250      25.397   5.35 0.000 1.000 0.167 2.168     296.196     360.000       9.888   14 
+    340000       68000.00      36.317      -5.102      31.215   4.57 0.214 0.400 0.236 1.808     329.487     360.000       7.546   14 
+    350000       70000.00      38.959      -0.812      38.147   5.46 0.000 1.000 0.318 1.522     353.455     360.000       9.868   14 
+    360000       72000.00      39.830      -7.220      32.610   4.06 0.143 0.333 0.348 3.266     361.355     360.000       8.820   14 
+    370000       74000.00      33.965      -9.051      24.914   7.71 0.143 0.333 0.167 1.359     308.149     360.000      10.954   14 
+    380000       76000.00      31.162       5.588      36.749   7.94 0.071 0.000 0.136 1.266     282.713     360.000      11.296   14 
+    390000       78000.00      32.199       4.034      36.233   6.56 0.143 0.714 0.234 2.284     292.129     360.000       7.832   14 
+    400000       80000.00      39.366      -3.846      35.520   5.53 0.071 0.750 0.193 1.398     357.153     360.000       8.245   14 
+    410000       82000.00      31.289      -1.768      29.521   7.06 0.143 0.500 0.239 1.529     283.870     350.000       9.986   14 
+    420000       84000.00      26.442       5.737      32.179   8.09 0.071 0.800 0.209 0.937     239.896     350.000       9.858   14 
+    430000       86000.00      27.643     -11.201      16.442   5.69 0.071 0.000 0.182 1.057     250.794     350.000       8.567   14 
+    440000       88000.00      33.432      -0.029      33.402   8.84 0.071 0.750 0.170 2.381     303.308     350.000      11.182   14 
+    450000       90000.00      38.399      -5.379      33.020   5.53 0.143 0.500 0.318 1.579     348.376     350.000       7.744   14 
+    460000       92000.00      39.750       5.436      45.185   7.57 0.000 1.000 0.295 1.604     360.630     350.000      10.653   14 
+    470000       94000.00      34.729       6.767      41.496   5.81 0.071 0.500 0.136 1.271     315.077     350.000       9.262   14 
+    480000       96000.00      33.631      -6.566      27.065   5.74 0.071 0.800 0.355 1.751     305.121     350.000       7.884   14 
+    490000       98000.00      32.210       6.502      38.713   7.13 0.000   NaN   NaN 2.835     292.229     350.000      11.305   14 
+    500000      100000.00      37.578      -3.241      34.337   5.88 0.071 0.000 0.136 1.426     340.931     350.000       8.922   14 
+    510000      102000.00      42.821      -4.535      38.286   3.71 0.071 0.667 0.273 1.491     388.490     340.000       7.708   14 
+    520000      104000.00      32.323      -8.920      23.404   5.03 0.214 0.786 0.347 2.187     293.255     340.000       7.200   14 
+    530000      106000.00      38.502      -7.531      30.971   6.14 0.143 0.714 0.435 2.346     349.314     340.000       7.510   14 
+    540000      108000.00      34.571     -14.063      20.508   6.78 0.143 0.714 0.227 1.131     313.646     340.000       8.785   14 
+    550000      110000.00      28.445      -8.265      20.180   6.28 0.286 0.636 0.202 1.790     258.064     340.000       8.763   14 
+    560000      112000.00      33.108      -7.777      25.332   6.41 0.143 0.750 0.233 2.070     300.377     340.000       8.982   14 
+    570000      114000.00      37.653       9.694      47.348  10.03 0.071 0.000 0.182 2.326     341.611     340.000      13.893   14 
+    580000      116000.00      34.384     -14.691      19.693   6.16 0.071 0.750 0.227 1.575     311.954     340.000       7.880   14 
+    590000      118000.00      30.739     -11.940      18.798   5.36 0.071 0.857 0.487 1.256     278.879     340.000       7.252   14 
+    600000      120000.00      32.532      -7.453      25.078   6.77 0.143 0.500 0.250 2.233     295.143     340.000       7.817   14 
+    610000      122000.00      41.766      -2.357      39.409   8.48 0.000 1.000 0.136 2.646     378.926     350.000      11.828   14 
+    620000      124000.00      35.483     -23.277      12.206   4.25 0.286 0.500 0.239 2.646     321.917     350.000       7.787   14 
+    630000      126000.00      37.168      -4.843      32.325   5.40 0.000 1.000 0.386 2.175     337.209     350.000       8.213   14 
+    640000      128000.00      37.436      -7.075      30.361   7.74 0.143 0.600 0.200 1.627     339.639     350.000       9.583   14 
+    650000      130000.00      33.159       4.747      37.906   8.36 0.000 1.000 0.159 4.110     300.833     350.000      11.697   14 
+    660000      132000.00      42.473     -12.973      29.500   6.03 0.071 0.800 0.336 2.128     385.334     350.000       7.341   14 
+    670000      134000.00      30.771      -5.698      25.073   8.07 0.071 0.667 0.167 1.226     279.175     350.000      10.250   14 
+    680000      136000.00      31.304     -12.028      19.277   3.94 0.071 0.800 0.327 1.313     284.010     350.000       7.211   14 
+    690000      138000.00      38.344       4.822      43.166   9.37 0.071 0.667 0.152 1.733     347.876     350.000      12.378   14 
+    700000      140000.00      30.972      -5.182      25.789   7.54 0.071 0.000 0.182 1.102     280.993     350.000      11.534   14 
+    710000      142000.00      34.368     -16.787      17.581   5.16 0.143 0.667 0.258 1.392     311.804     340.000       6.984   14 
+    720000      144000.00      30.530      -0.513      30.018   3.71 0.214 0.400 0.364 2.087     276.985     340.000       8.625   14 
+    730000      146000.00      35.052     -12.005      23.048   7.95 0.214 0.667 0.268 1.985     318.014     340.000       9.663   14 
+    740000      148000.00      38.399      -8.714      29.685   5.49 0.071 0.500 0.227 1.254     348.378     340.000       8.029   14 
+    750000      150000.00      39.610     -10.908      28.702   4.77 0.071 0.667 0.136 1.903     359.362     340.000       8.514   14 
+    760000      152000.00      37.095      -8.413      28.682   9.08 0.000 1.000 0.164 2.606     336.542     340.000      11.589   14 
+    770000      154000.00      43.264     -17.978      25.286   5.62 0.071 0.833 0.447 1.317     392.514     340.000       7.235   14 
+    780000      156000.00      38.276     -11.103      27.173   5.36 0.143 0.600 0.209 0.950     347.263     340.000       8.530   14 
+    790000      158000.00      31.015     -17.282      13.733   3.65 0.286 0.556 0.343 1.549     281.386     340.000       7.279   14 
+    800000      160000.00      29.619      -0.280      29.338   6.08 0.143 0.500 0.170 1.346     268.715     340.000       9.387   14 
+    810000      162000.00      38.643     -30.184       8.459   4.71 0.214 0.667 0.455 2.059     350.589     330.000       7.492   14 
+    820000      164000.00      40.960      -8.326      32.634   6.12 0.071 0.800 0.218 2.816     371.608     330.000       9.834   14 
+    830000      166000.00      41.758     -14.897      26.862   4.77 0.143 0.714 0.273 2.859     378.854     330.000       7.954   14 
+    840000      168000.00      42.058      -8.526      33.531   7.17 0.143 0.333 0.167 1.376     381.567     330.000       8.943   14 
+    850000      170000.00      20.610     -16.923       3.687   5.09 0.214 0.700 0.327 1.877     186.986     330.000       7.043   14 
+    860000      172000.00      42.082     -16.624      25.458   4.33 0.286 0.333 0.212 1.254     381.790     330.000       8.237   14 
+    870000      174000.00      42.039     -18.771      23.268   3.99 0.214 0.750 0.436 1.841     381.399     330.000       7.385   14 
+    880000      176000.00      27.475      -6.371      21.104   7.44 0.143 0.600 0.164 2.153     249.266     330.000      10.724   14 
+    890000      178000.00      37.168      -7.492      29.676   5.94 0.071 0.500 0.136 1.547     337.206     330.000       8.240   14 
+    900000      180000.00      28.175      -8.448      19.727   5.09 0.143 0.714 0.364 1.573     255.614     330.000       7.202   14 
+    910000      182000.00      29.229      -7.528      21.701  10.60 0.143 0.333 0.152 1.774     265.182     350.000      13.605   14 
+    920000      184000.00      41.301     -12.743      28.558   6.79 0.071 0.857 0.364 2.920     374.706     350.000       7.197   14 
+    930000      186000.00      33.395       4.776      38.171   7.93 0.143 0.000 0.159 1.275     302.977     350.000       9.961   14 
+    940000      188000.00      45.714      -3.004      42.710   5.39 0.071 0.500 0.182 3.162     414.737     350.000       8.935   14 
+    950000      190000.00      37.913       1.671      39.584   7.90 0.071 0.500 0.182 3.907     343.970     350.000      11.467   14 
+    960000      192000.00      31.637      -2.969      28.668   5.27 0.071 0.750 0.295 1.801     287.027     350.000       7.846   14 
+    970000      194000.00      43.715     -16.913      26.801   4.55 0.214 0.400 0.209 2.632     396.603     350.000       8.845   14 
+    980000      196000.00      34.331     -12.630      21.702   6.64 0.071 0.500 0.318 1.299     311.473     350.000       8.022   14 
+    990000      198000.00      41.968     -18.516      23.452   5.98 0.286 0.556 0.354 1.349     380.752     350.000       7.160   14 
+   1000000      200000.00      27.030      -4.849      22.182   5.23 0.071 0.667 0.197 1.024     245.232     350.000       9.156   14 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat
index fc9c75e..4f82666 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat
@@ -1,101 +1,101 @@
          0           0.00      43.954     672.425     716.378   0.00 1.000 0.000 0.308 8.653     398.770     400.000       7.001   15 
-     10000        2000.00      35.145       6.239      41.384  10.29 0.071 0.500 0.159 2.268     318.858     400.000      13.972   15 
-     20000        4000.00      36.747      -4.159      32.588   6.98 0.000 1.000 0.295 1.598     333.392     400.000       9.427   15 
-     30000        6000.00      36.421       3.209      39.629   8.24 0.143 0.600 0.173 1.568     330.429     400.000      10.038   15 
-     40000        8000.00      35.787      -1.151      34.635   5.12 0.143 0.600 0.364 1.962     324.676     400.000       8.448   15 
-     50000       10000.00      36.446      11.571      48.017   5.98 0.000   NaN   NaN 4.207     330.659     400.000       9.491   15 
-     60000       12000.00      38.375      -7.379      30.997   6.03 0.000 1.000 0.500 1.839     348.160     400.000       7.519   15 
-     70000       14000.00      40.135      -9.500      30.635   4.60 0.143 0.333 0.212 2.493     364.123     400.000       9.266   15 
-     80000       16000.00      46.685       8.712      55.397   5.13 0.071 0.750 0.284 2.337     423.554     400.000       8.649   15 
-     90000       18000.00      30.755     -11.636      19.119   6.16 0.214 0.500 0.333 2.124     279.023     400.000       7.706   15 
-    100000       20000.00      43.667      13.376      57.044   4.81 0.214 0.250 0.273 2.360     396.171     400.000       8.149   15 
-    110000       22000.00      42.037       7.636      49.673   9.11 0.071 0.500 0.136 1.651     381.381     390.000      12.789   15 
-    120000       24000.00      32.956      13.873      46.829   6.78 0.071 0.667 0.227 1.098     298.995     390.000       9.071   15 
-    130000       26000.00      40.349      19.808      60.157   6.18 0.000 1.000 0.227 1.666     366.062     390.000       9.632   15 
-    140000       28000.00      43.731       2.821      46.553   7.71 0.000 1.000 0.227 1.592     396.753     390.000      10.897   15 
-    150000       30000.00      35.005       3.218      38.224   7.46 0.000 1.000 0.182 2.036     317.587     390.000      11.772   15 
-    160000       32000.00      42.787      -2.838      39.948   7.56 0.071 0.667 0.182 1.135     388.182     390.000       9.353   15 
-    170000       34000.00      44.227       7.525      51.752   7.97 0.000 1.000 0.182 2.475     401.249     390.000      10.894   15 
-    180000       36000.00      40.668      -1.379      39.289  10.99 0.071 0.000 0.136 2.728     368.960     390.000      14.664   15 
-    190000       38000.00      36.042      -7.576      28.467  10.11 0.071 0.667 0.182 1.324     326.993     390.000      13.559   15 
-    200000       40000.00      35.645       4.522      40.167   4.93 0.000 1.000 0.518 1.568     323.391     390.000       8.056   15 
-    210000       42000.00      46.948       4.295      51.243   7.71 0.000 1.000 0.159 2.165     425.935     380.000      11.870   15 
-    220000       44000.00      38.458      -2.651      35.807   7.31 0.143 0.667 0.288 2.426     348.908     380.000      10.149   15 
-    230000       46000.00      38.378       1.976      40.354   4.62 0.071 0.889 0.449 3.187     348.185     380.000       8.328   15 
-    240000       48000.00      40.435      -8.614      31.821   7.00 0.000 1.000 0.245 1.266     366.846     380.000       7.928   15 
-    250000       50000.00      37.522      -6.052      31.471  10.72 0.071 0.667 0.167 1.656     340.421     380.000      13.608   15 
-    260000       52000.00      34.085       3.441      37.526   7.20 0.071 0.000 0.182 1.661     309.239     380.000      11.212   15 
-    270000       54000.00      45.481      10.090      55.571   8.74 0.143 0.500 0.205 3.484     412.628     380.000      11.213   15 
-    280000       56000.00      37.249       5.961      43.210   7.93 0.000 1.000 0.250 2.687     337.942     380.000      11.617   15 
-    290000       58000.00      40.884      -2.744      38.140   6.05 0.071 0.750 0.409 1.523     370.924     380.000       7.841   15 
-    300000       60000.00      36.382      -2.796      33.586   9.52 0.071 0.000 0.182 2.022     330.074     380.000      13.350   15 
-    310000       62000.00      34.916      -7.626      27.290   5.24 0.214 0.625 0.335 1.982     316.777     370.000       7.626   15 
-    320000       64000.00      34.175       3.409      37.584   7.45 0.000 1.000 0.273 2.575     310.051     370.000      10.159   15 
-    330000       66000.00      41.598       3.490      45.088   8.44 0.000 1.000 0.227 1.498     377.398     370.000      11.500   15 
-    340000       68000.00      28.967      -4.894      24.073   8.56 0.000   NaN   NaN 2.393     262.806     370.000      12.474   15 
-    350000       70000.00      29.877      -3.160      26.717   4.90 0.071 0.000 0.182 1.785     271.060     370.000       9.272   15 
-    360000       72000.00      30.461      -4.405      26.056   7.03 0.071 0.000 0.182 2.270     276.354     370.000      10.840   15 
-    370000       74000.00      37.081       4.236      41.317   5.83 0.071 0.667 0.212 2.223     336.419     370.000       8.756   15 
-    380000       76000.00      40.238      -6.363      33.875   6.88 0.143 0.333 0.152 1.248     365.061     370.000       9.899   15 
-    390000       78000.00      33.617      -3.166      30.450   5.23 0.000 1.000 0.364 0.940     304.988     370.000       7.967   15 
-    400000       80000.00      28.758      -1.769      26.989   6.14 0.214 0.625 0.205 2.500     260.908     370.000       9.434   15 
-    410000       82000.00      43.213      -6.212      37.001   6.96 0.071 0.000 0.182 1.900     392.054     360.000      10.700   15 
-    420000       84000.00      39.101      -3.912      35.189   5.09 0.071 0.500 0.182 2.877     354.744     360.000       9.081   15 
-    430000       86000.00      32.750      -7.848      24.902   7.51 0.143 0.600 0.164 1.741     297.125     360.000      10.079   15 
-    440000       88000.00      36.296       1.599      37.895   5.30 0.000 1.000 0.258 1.667     329.299     360.000       9.235   15 
-    450000       90000.00      26.389      -4.918      21.471   8.18 0.071 0.500 0.205 3.547     239.411     360.000      11.401   15 
-    460000       92000.00      38.505      -3.697      34.808   7.13 0.071 0.800 0.309 1.796     349.335     360.000       8.763   15 
-    470000       94000.00      34.406      -4.306      30.101   6.53 0.071 0.667 0.333 2.103     312.153     360.000       9.113   15 
-    480000       96000.00      37.215      -0.298      36.917   4.85 0.143 0.500 0.273 1.258     337.631     360.000       8.127   15 
-    490000       98000.00      33.097      -5.555      27.541   4.54 0.071 0.667 0.333 2.411     300.272     360.000       8.803   15 
-    500000      100000.00      38.323     -13.076      25.248   8.51 0.143 0.333 0.152 2.589     347.689     360.000      12.526   15 
-    510000      102000.00      36.843     -21.151      15.691   8.59 0.000 1.000 0.258 2.588     334.256     350.000      11.465   15 
-    520000      104000.00      29.889      -7.040      22.848   8.58 0.143 0.000 0.136 3.951     271.168     350.000      11.690   15 
-    530000      106000.00      36.350     -14.339      22.011   7.18 0.214 0.400 0.173 2.441     329.788     350.000      10.378   15 
-    540000      108000.00      33.400      -7.681      25.719   5.72 0.071 0.833 0.227 1.363     303.024     350.000       8.316   15 
-    550000      110000.00      44.854      -9.272      35.582   6.97 0.071 0.750 0.239 1.573     406.942     350.000       8.217   15 
-    560000      112000.00      27.661     -10.022      17.639   7.62 0.071 0.800 0.236 1.507     250.956     350.000       9.823   15 
-    570000      114000.00      40.508       3.103      43.611   5.45 0.000 1.000 0.182 1.766     367.507     350.000       9.322   15 
-    580000      116000.00      35.490      -1.927      33.562   7.17 0.071 0.667 0.379 1.368     321.983     350.000       9.750   15 
-    590000      118000.00      38.788       5.275      44.064   4.66 0.143 0.667 0.189 1.856     351.907     350.000       8.439   15 
-    600000      120000.00      35.633      -3.463      32.170   9.57 0.214 0.000 0.152 3.053     323.281     350.000      13.149   15 
-    610000      122000.00      36.652     -16.227      20.425   5.08 0.143 0.667 0.318 1.104     332.530     340.000       7.850   15 
-    620000      124000.00      34.092     -19.445      14.647   4.67 0.000 1.000 0.474 3.282     309.301     340.000       7.925   15 
-    630000      126000.00      42.510      -3.324      39.186   8.17 0.071 0.667 0.197 1.101     385.673     340.000       9.242   15 
-    640000      128000.00      41.134     -13.646      27.489   6.11 0.143 0.750 0.205 1.602     373.191     340.000       7.563   15 
-    650000      130000.00      33.623      -9.304      24.319   5.56 0.143 0.600 0.145 1.529     305.049     340.000      10.534   15 
-    660000      132000.00      22.412      -1.542      20.870   6.56 0.000 1.000 0.212 2.429     203.333     340.000       9.308   15 
-    670000      134000.00      27.664      -8.921      18.743   8.58 0.071 0.750 0.205 1.674     250.984     340.000      10.483   15 
-    680000      136000.00      31.324       1.495      32.818   7.07 0.000 1.000 0.182 2.652     284.185     340.000      10.441   15 
-    690000      138000.00      27.077      -9.643      17.434   4.60 0.071 0.857 0.312 2.601     245.656     340.000       7.450   15 
-    700000      140000.00      34.229     -12.722      21.507   4.82 0.071 0.500 0.136 2.218     310.547     340.000       9.046   15 
-    710000      142000.00      34.222      -6.972      27.250   7.49 0.071 0.800 0.191 1.499     310.476     380.000       8.909   15 
-    720000      144000.00      35.650      -4.984      30.666   9.99 0.071 0.500 0.182 3.560     323.436     380.000      13.459   15 
-    730000      146000.00      42.172      -2.422      39.750   4.61 0.214 0.571 0.344 1.854     382.604     380.000       8.405   15 
-    740000      148000.00      38.618       4.573      43.191  10.60 0.071 0.000 0.182 1.364     350.359     380.000      13.518   15 
-    750000      150000.00      39.107       4.109      43.216   6.05 0.143 0.667 0.333 3.175     354.796     380.000       7.494   15 
-    760000      152000.00      30.344       5.629      35.973   9.32 0.071 0.000 0.136 1.908     275.299     380.000      13.734   15 
-    770000      154000.00      39.230      20.298      59.528   5.08 0.071 0.750 0.455 1.976     355.910     380.000       9.031   15 
-    780000      156000.00      40.066      -0.724      39.341   4.21 0.143 0.000 0.136 2.637     363.495     380.000       9.323   15 
-    790000      158000.00      40.440       6.718      47.159   7.43 0.071 0.500 0.159 3.582     366.896     380.000      11.422   15 
-    800000      160000.00      34.754      -6.514      28.239   5.53 0.071 0.750 0.386 1.673     315.305     380.000       7.450   15 
-    810000      162000.00      38.390       3.614      42.004   9.26 0.000 1.000 0.182 3.171     348.295     370.000      12.690   15 
-    820000      164000.00      43.232     -16.860      26.372   4.92 0.143 0.667 0.356 0.813     392.226     370.000       8.428   15 
-    830000      166000.00      41.832       7.282      49.114   8.18 0.000 1.000 0.182 2.212     379.523     370.000       9.985   15 
-    840000      168000.00      40.903      -5.976      34.927   4.79 0.000 1.000 0.205 1.738     371.093     370.000       9.466   15 
-    850000      170000.00      42.240       4.899      47.139   8.14 0.000 1.000 0.205 1.767     383.224     370.000       9.382   15 
-    860000      172000.00      48.866      -1.842      47.024   5.71 0.143 0.600 0.227 2.152     443.337     370.000       8.873   15 
-    870000      174000.00      37.435      -7.365      30.070   4.38 0.071 0.800 0.473 2.960     339.633     370.000       7.910   15 
-    880000      176000.00      41.818     -14.839      26.979   5.18 0.143 0.333 0.485 2.273     379.397     370.000       7.718   15 
-    890000      178000.00      43.405      13.784      57.189   6.20 0.000 1.000 0.455 2.374     393.793     370.000       9.138   15 
-    900000      180000.00      34.958      -1.998      32.960   4.61 0.071 0.750 0.545 2.010     317.155     370.000       7.537   15 
-    910000      182000.00      35.216     -14.673      20.544   5.03 0.000 1.000 0.326 0.690     319.501     360.000       7.872   15 
-    920000      184000.00      36.440     -12.665      23.775   3.99 0.143 0.667 0.386 2.905     330.598     360.000       7.873   15 
-    930000      186000.00      32.204      -0.566      31.637   7.22 0.143 0.333 0.136 1.993     292.167     360.000      10.179   15 
-    940000      188000.00      50.379      -0.538      49.840   8.54 0.000 1.000 0.182 1.783     457.060     360.000      10.524   15 
-    950000      190000.00      39.757       2.327      42.084   6.88 0.000 1.000 0.636 0.835     360.696     360.000       9.838   15 
-    960000      192000.00      40.993      -4.462      36.532   5.97 0.000 1.000 0.216 2.419     371.911     360.000       9.374   15 
-    970000      194000.00      33.963     -10.653      23.310   9.31 0.000 1.000 0.136 1.189     308.131     360.000      12.524   15 
-    980000      196000.00      37.686      -7.148      30.539   7.55 0.071 0.667 0.167 1.098     341.908     360.000       8.300   15 
-    990000      198000.00      37.058     -13.941      23.117   3.85 0.214 0.667 0.364 2.712     336.212     360.000       7.724   15 
-   1000000      200000.00      34.130       6.294      40.424   7.89 0.071 0.500 0.182 1.350     309.644     360.000       9.459   15 
+     10000        2000.00      33.331      11.629      44.960   4.97 0.071 0.857 0.403 1.539     302.397     400.000       9.299   15 
+     20000        4000.00      31.896       6.706      38.601   7.17 0.071 0.000 0.136 2.316     289.374     400.000      11.392   15 
+     30000        6000.00      35.131      -6.047      29.084   9.10 0.143 0.000 0.159 1.519     318.728     400.000      10.759   15 
+     40000        8000.00      38.831      -2.055      36.776   6.48 0.143 0.333 0.136 3.052     352.290     400.000      10.075   15 
+     50000       10000.00      40.254       3.715      43.969   6.73 0.071 0.667 0.318 1.912     365.206     400.000       9.014   15 
+     60000       12000.00      37.118      12.732      49.851  10.66 0.000   NaN   NaN 2.754     336.757     400.000      14.503   15 
+     70000       14000.00      40.800      -3.546      37.254   7.91 0.000 1.000 0.205 1.610     370.155     400.000      11.641   15 
+     80000       16000.00      39.842      11.659      51.501   5.36 0.000 1.000 0.364 2.332     361.468     400.000       8.388   15 
+     90000       18000.00      36.997      -7.075      29.922   8.65 0.071 0.500 0.159 1.936     335.658     400.000      12.033   15 
+    100000       20000.00      38.241       3.438      41.679   7.10 0.071 0.500 0.182 1.404     346.943     400.000      10.332   15 
+    110000       22000.00      39.021     -10.280      28.741   5.05 0.071 0.500 0.136 2.145     354.022     390.000       9.857   15 
+    120000       24000.00      34.208       1.560      35.768   5.38 0.071 0.667 0.182 1.584     310.353     390.000       8.851   15 
+    130000       26000.00      38.578      17.059      55.638   5.27 0.000 1.000 0.159 2.447     350.003     390.000       8.863   15 
+    140000       28000.00      35.745     -13.300      22.445   5.41 0.143 0.600 0.373 2.040     324.295     390.000       7.604   15 
+    150000       30000.00      44.230       3.231      47.461   7.89 0.000 1.000 0.136 2.616     401.279     390.000      12.791   15 
+    160000       32000.00      44.212      -0.622      43.590   5.64 0.143 0.500 0.193 0.434     401.113     390.000      10.068   15 
+    170000       34000.00      47.456       2.455      49.911   6.47 0.071 0.667 0.197 1.630     430.546     390.000       9.019   15 
+    180000       36000.00      41.966      -3.992      37.974   6.29 0.143 0.333 0.212 1.570     380.736     390.000       9.856   15 
+    190000       38000.00      30.238      10.772      41.009   4.92 0.071 0.800 0.400 1.896     274.334     390.000       7.997   15 
+    200000       40000.00      38.813       1.760      40.572   5.85 0.071 0.000 0.182 1.658     352.128     390.000      10.174   15 
+    210000       42000.00      43.688      19.520      63.208   4.53 0.000 1.000 0.250 1.773     396.363     380.000       8.771   15 
+    220000       44000.00      35.733      -3.137      32.596   4.53 0.071 0.000 0.136 1.099     324.190     380.000       9.751   15 
+    230000       46000.00      37.165      12.571      49.736   7.78 0.000 1.000 0.245 1.347     337.183     380.000       8.395   15 
+    240000       48000.00      39.642     -13.695      25.947   3.69 0.357 0.375 0.267 1.237     359.656     380.000       7.655   15 
+    250000       50000.00      34.828      -0.314      34.514   5.55 0.000 1.000 0.288 1.099     315.978     380.000       7.995   15 
+    260000       52000.00      41.773     -11.425      30.348   6.14 0.214 0.400 0.155 1.678     378.987     380.000       8.217   15 
+    270000       54000.00      38.176      -3.566      34.610   5.86 0.071 0.833 0.424 1.947     346.355     380.000       8.352   15 
+    280000       56000.00      36.427      -7.626      28.801   4.32 0.071 0.750 0.148 1.099     330.486     380.000       8.748   15 
+    290000       58000.00      41.323      -2.009      39.314   5.86 0.071 0.667 0.152 1.255     374.901     380.000       9.570   15 
+    300000       60000.00      36.587      -1.566      35.020   5.58 0.143 0.333 0.152 1.684     331.932     380.000       9.489   15 
+    310000       62000.00      37.313       4.510      41.822   5.59 0.000 1.000 0.205 3.431     338.519     370.000       9.743   15 
+    320000       64000.00      40.309      -8.671      31.638   6.77 0.071 0.500 0.159 2.203     365.705     370.000      10.768   15 
+    330000       66000.00      39.691       5.551      45.242   5.56 0.071 0.667 0.152 1.332     360.095     370.000      10.202   15 
+    340000       68000.00      27.606      -4.434      23.172   6.67 0.000 1.000 0.309 1.378     250.456     370.000       7.521   15 
+    350000       70000.00      28.372      -1.990      26.383   5.40 0.143 0.333 0.152 2.234     257.408     370.000       9.168   15 
+    360000       72000.00      28.966      -0.693      28.273   4.64 0.143 0.333 0.167 2.024     262.792     370.000       8.995   15 
+    370000       74000.00      34.591       2.381      36.971   6.94 0.000 1.000 0.331 2.036     313.824     370.000       7.727   15 
+    380000       76000.00      38.999       3.152      42.151   4.99 0.071 0.667 0.182 1.061     353.818     370.000       8.743   15 
+    390000       78000.00      34.647      -6.846      27.801   6.49 0.000 1.000 0.182 1.984     314.336     370.000      10.273   15 
+    400000       80000.00      33.753      -2.499      31.254   8.46 0.143 0.000 0.159 1.632     306.221     370.000      12.702   15 
+    410000       82000.00      42.632      -1.921      40.711   4.62 0.071 0.800 0.191 3.522     386.784     360.000       8.143   15 
+    420000       84000.00      36.485     -11.624      24.861   6.50 0.143 0.750 0.330 1.050     331.015     360.000       7.241   15 
+    430000       86000.00      35.409     -17.523      17.886   4.55 0.214 0.000 0.333 1.613     321.250     360.000       8.469   15 
+    440000       88000.00      34.200      -8.367      25.834   6.89 0.071 0.667 0.242 1.682     310.284     360.000       8.739   15 
+    450000       90000.00      26.092      -2.923      23.169   5.22 0.000 1.000 0.636 1.713     236.718     360.000       8.816   15 
+    460000       92000.00      36.391      14.337      50.728   9.84 0.000   NaN   NaN 1.361     330.157     360.000      12.545   15 
+    470000       94000.00      37.240      -6.021      31.219   5.89 0.214 0.400 0.164 1.851     337.857     360.000       8.782   15 
+    480000       96000.00      37.142       0.934      38.076   8.22 0.071 0.500 0.182 1.824     336.971     360.000      10.832   15 
+    490000       98000.00      33.036     -11.691      21.345   6.66 0.071 0.750 0.364 1.806     299.724     360.000       8.852   15 
+    500000      100000.00      35.552     -12.207      23.345  10.78 0.071 0.500 0.159 1.936     322.542     360.000      14.627   15 
+    510000      102000.00      33.809     -10.332      23.477   5.74 0.143 0.500 0.148 2.101     306.735     350.000       8.487   15 
+    520000      104000.00      35.047     -19.264      15.782   4.64 0.143 0.667 0.258 1.788     317.960     350.000       7.417   15 
+    530000      106000.00      32.320      -3.234      29.086   5.42 0.071 0.857 0.292 2.427     293.222     350.000       7.440   15 
+    540000      108000.00      32.677       2.278      34.955   6.04 0.000 1.000 0.182 2.193     296.465     350.000       9.087   15 
+    550000      110000.00      42.297      -3.880      38.417   8.67 0.143 0.000 0.159 1.062     383.742     350.000      11.697   15 
+    560000      112000.00      30.507      -1.390      29.117  10.96 0.143 0.000 0.136 2.141     276.774     350.000      13.236   15 
+    570000      114000.00      39.860      -3.423      36.437   8.07 0.000 1.000 0.136 1.730     361.633     350.000      12.343   15 
+    580000      116000.00      30.856      -1.555      29.302   7.48 0.143 0.333 0.152 1.455     279.945     350.000      11.863   15 
+    590000      118000.00      41.133     -10.129      31.003   5.00 0.143 0.333 0.500 2.245     373.178     350.000       7.827   15 
+    600000      120000.00      33.052      -9.083      23.969   4.95 0.071 0.667 0.455 2.534     299.864     350.000       8.411   15 
+    610000      122000.00      32.450     -10.252      22.198   6.54 0.071 0.800 0.227 1.355     294.404     340.000       8.822   15 
+    620000      124000.00      36.795     -11.609      25.186   7.83 0.000 1.000 0.182 1.251     333.824     340.000      12.100   15 
+    630000      126000.00      38.638      -3.919      34.719   5.16 0.071 0.667 0.561 1.667     350.548     340.000       7.749   15 
+    640000      128000.00      38.657       0.746      39.402   8.18 0.071 0.667 0.182 1.095     350.714     340.000      12.371   15 
+    650000      130000.00      37.940     -26.495      11.445   4.56 0.143 0.800 0.386 1.111     344.208     340.000       7.251   15 
+    660000      132000.00      24.678     -15.114       9.564   3.60 0.357 0.444 0.192 1.934     223.891     340.000       8.023   15 
+    670000      134000.00      25.137      -8.240      16.897   5.80 0.000 1.000 0.355 1.525     228.058     340.000       8.462   15 
+    680000      136000.00      30.197      -2.010      28.187   5.42 0.071 0.800 0.473 3.238     273.962     340.000       8.551   15 
+    690000      138000.00      30.556     -18.711      11.845   5.91 0.143 0.750 0.295 1.962     277.220     340.000       8.078   15 
+    700000      140000.00      31.539      -2.001      29.538   4.74 0.071 0.750 0.273 2.050     286.142     340.000       8.749   15 
+    710000      142000.00      32.961      -6.548      26.412   6.17 0.143 0.667 0.318 1.476     299.035     380.000       8.114   15 
+    720000      144000.00      33.254       0.973      34.227   8.21 0.071 0.667 0.152 2.459     301.700     380.000      11.429   15 
+    730000      146000.00      44.902      -0.473      44.430   6.59 0.071 0.833 0.265 2.454     407.377     380.000       9.955   15 
+    740000      148000.00      47.071     -10.528      36.544   5.04 0.143 0.000 0.159 1.387     427.056     380.000       9.174   15 
+    750000      150000.00      32.923      -3.985      28.938   4.92 0.214 0.400 0.218 1.165     298.694     380.000       8.368   15 
+    760000      152000.00      31.677       2.188      33.865  11.57 0.071 0.000 0.182 1.565     287.389     380.000      14.504   15 
+    770000      154000.00      34.829       8.774      43.604   4.54 0.000 1.000 0.518 4.090     315.987     380.000       8.270   15 
+    780000      156000.00      43.997      -1.353      42.644   4.69 0.143 0.500 0.182 5.338     399.160     380.000       9.625   15 
+    790000      158000.00      32.124       2.076      34.200   9.35 0.286 0.200 0.155 2.233     291.446     380.000      11.695   15 
+    800000      160000.00      39.139       1.241      40.380   5.40 0.214 0.250 0.261 2.055     355.090     380.000       7.937   15 
+    810000      162000.00      29.212       8.487      37.699   8.92 0.071 0.000 0.182 1.224     265.025     370.000      11.716   15 
+    820000      164000.00      44.604      -0.232      44.372   8.90 0.071 0.000 0.136 2.085     404.675     370.000      11.062   15 
+    830000      166000.00      37.900      11.026      48.926   5.89 0.000 1.000 0.258 1.130     343.852     370.000       9.316   15 
+    840000      168000.00      36.695       1.202      37.897   6.10 0.000 1.000 0.364 2.956     332.917     370.000       8.357   15 
+    850000      170000.00      38.625      -4.026      34.600   6.17 0.143 0.500 0.170 1.764     350.427     370.000       8.286   15 
+    860000      172000.00      42.234      12.622      54.856   5.29 0.000 1.000 0.330 3.364     383.168     370.000       7.611   15 
+    870000      174000.00      39.366       2.736      42.102   5.09 0.071 0.500 0.159 0.674     357.152     370.000       9.150   15 
+    880000      176000.00      39.280      -3.187      36.093   5.29 0.143 0.500 0.409 2.125     356.373     370.000       7.925   15 
+    890000      178000.00      43.613     -13.320      30.293   8.01 0.071 0.800 0.227 2.075     395.680     370.000       8.908   15 
+    900000      180000.00      34.605     -11.733      22.872   5.97 0.214 0.571 0.266 1.264     313.958     370.000       8.057   15 
+    910000      182000.00      34.511     -12.969      21.543   7.46 0.071 0.800 0.209 1.200     313.102     360.000       8.829   15 
+    920000      184000.00      33.674      -0.188      33.486   8.31 0.214 0.400 0.200 1.501     305.505     360.000      10.577   15 
+    930000      186000.00      33.313     -17.366      15.947   6.25 0.143 0.667 0.364 1.747     302.232     360.000       7.273   15 
+    940000      188000.00      46.928       3.181      50.109   9.73 0.071 0.000 0.136 2.008     425.758     360.000      12.333   15 
+    950000      190000.00      36.611      -2.696      33.915   6.48 0.143 0.500 0.170 1.050     332.155     360.000       9.808   15 
+    960000      192000.00      41.055     -16.409      24.646   4.09 0.286 0.500 0.420 0.330     372.468     360.000       7.587   15 
+    970000      194000.00      31.455     -22.909       8.546   4.63 0.000 1.000 0.364 1.369     285.376     360.000       7.298   15 
+    980000      196000.00      39.090     -29.534       9.556   3.92 0.357 0.286 0.377 1.841     354.642     360.000       7.816   15 
+    990000      198000.00      37.581     -13.426      24.155  10.21 0.214 0.400 0.164 1.485     340.952     360.000      13.547   15 
+   1000000      200000.00      35.402     -12.254      23.148   5.81 0.143 0.714 0.390 1.559     321.185     360.000       7.515   15 
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_MD000.cx b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_MD000.cx
index 6c58dbe328e4a42acfd72f75d9d397d36cc94b49..e1fb089293dccec9be446941bd11f6e3e1309b32 100644
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diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_mremd.rst b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_mremd.rst
index c9c634bcb4aea6e37abbbc670d8739f6b2f0a48e..ef0f95324174d925c796737ee9f9350b01795bd9 100644
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diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/fort.2 b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/fort.2
index 2d465df..eebded5 100644
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/fort.2
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/fort.2
@@ -34,9792 +34,9519 @@
  j           8  k           9
  j           8  k          10
  j           9  k          10
- acceleration/energy drift too large   2.43364517948661     
-   12.8231207730804       split increased to            2  itime           1 
+ acceleration/energy drift too large   2.06380668139024     
+   11.5752906347410       split increased to            2  itime           1 
   itsplit           1
- acceleration/energy drift too large   4.61422036922625     
-   32.9249111505191       split increased to            2  itime           2 
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-   27.8599166084257       split increased to            2  itime      993216 
+ acceleration/energy drift too large   9.33466347848164     
+   38.1367447623770       split increased to            2  itime      989473 
   itsplit           1
- acceleration/energy drift too large   6.38514973313604     
-   50.1610580082821       split increased to            4  itime      993216 
+ acceleration/energy drift too large   5.57676522408573     
+   11.7911787665777       split increased to            2  itime      989644 
   itsplit           1
- acceleration/energy drift too large   5.26579968672150     
-   33.3285968165631       split increased to            2  itime      993671 
+ acceleration/energy drift too large   4.13053802443672     
+   10.1583990687215       split increased to            2  itime      989759 
   itsplit           1
- acceleration/energy drift too large   2.18177301793178     
-   11.1681238545081       split increased to            2  itime      994683 
+ acceleration/energy drift too large   11.4248595014151     
+   50.7081336294344       split increased to            2  itime      989763 
   itsplit           1
- acceleration/energy drift too large   3.30050263394874     
-   10.4174171201204       split increased to            2  itime      995864 
+ acceleration/energy drift too large   15.3068322597701     
+   90.4842677703436       split increased to            2  itime      990892 
   itsplit           1
- acceleration/energy drift too large   8.28902922367740     
-   32.3821030024351       split increased to            2  itime      996571 
+ acceleration/energy drift too large   3.40540496237676     
+   23.5193718619972       split increased to            2  itime      991468 
   itsplit           1
- acceleration/energy drift too large   2.63784962168993     
-   10.9576370471180       split increased to            2  itime      996572 
+ acceleration/energy drift too large   1.58919226836764     
+   10.4396626498277       split increased to            2  itime      991565 
   itsplit           1
- acceleration/energy drift too large   2.75577429839134     
-   17.8150193441368       split increased to            2  itime      997084 
+ acceleration/energy drift too large   7.56774479571696     
+   32.4636043298079       split increased to            2  itime      993745 
   itsplit           1
- acceleration/energy drift too large   8.87521215741129     
-   40.8521472738261       split increased to            2  itime      997130 
+ acceleration/energy drift too large   5.33222693903778     
+   16.4778328002712       split increased to            2  itime      993802 
   itsplit           1
- acceleration/energy drift too large  0.118709203422522     
-   11.8712155399081       split increased to            2  itime      997131 
+ acceleration/energy drift too large   4.94557559399629     
+   18.8530455782629       split increased to            2  itime      994754 
   itsplit           1
- acceleration/energy drift too large   3.71953089303143     
-   11.4255725409253       split increased to            2  itime      997422 
+ acceleration/energy drift too large   7.57984981892127     
+   32.6216340498271       split increased to            2  itime      995836 
   itsplit           1
- acceleration/energy drift too large   2.86756639393493     
-   14.5732070689460       split increased to            2  itime      997538 
+ acceleration/energy drift too large   3.80477416142991     
+   10.4022863605411       split increased to            2  itime      996154 
   itsplit           1
- acceleration/energy drift too large   4.51521386132250     
-   17.9123097775298       split increased to            2  itime      997662 
+ acceleration/energy drift too large   7.28210204090032     
+   21.3466177864636       split increased to            2  itime      996906 
   itsplit           1
- acceleration/energy drift too large   2.57003783635985     
-   10.3479105026524       split increased to            2  itime      997663 
+ acceleration/energy drift too large   2.41316206334633     
+   10.4799418773101       split increased to            2  itime      997225 
   itsplit           1
- acceleration/energy drift too large   3.54951148321287     
-   10.5133448417273       split increased to            2  itime      997728 
+ acceleration/energy drift too large   9.17290925998961     
+   42.3865726795622       split increased to            2  itime      997471 
   itsplit           1
- acceleration/energy drift too large   3.59645438718798     
-   13.1215722164077       split increased to            2  itime      997835 
+ acceleration/energy drift too large   10.9848490490901     
+   58.8395925461176       split increased to            2  itime      997639 
   itsplit           1
- acceleration/energy drift too large   4.84941281757043     
-   14.3321305455620       split increased to            2  itime      998094 
+ acceleration/energy drift too large   10.0259106824858     
+   60.8965815460909       split increased to            2  itime      998569 
   itsplit           1
- acceleration/energy drift too large   3.75121786471941     
-   15.9735931910292       split increased to            2  itime      998133 
+ acceleration/energy drift too large   14.4588099728063     
+   96.0887912326615       split increased to            2  itime      999119 
   itsplit           1
- acceleration/energy drift too large   6.15099055851759     
-   20.3579299345626       split increased to            2  itime      998317 
+ acceleration/energy drift too large   3.03724422518980     
+   17.8361907347237       split increased to            4  itime      999119 
+  itsplit           2
+ acceleration/energy drift too large   4.61922265078763     
+   10.2029792212546       split increased to            2  itime      999649 
   itsplit           1
- acceleration/energy drift too large   7.44327141171110     
-   35.0170379559645       split increased to            2  itime      999923 
+ acceleration/energy drift too large   6.41039133195237     
+   11.1665338090672       split increased to            2  itime      999780 
   itsplit           1
diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/unres.csh b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/unres.csh
index 34235c8..bf4dafe 100755
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/unres.csh
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/unres.csh
@@ -4,10 +4,10 @@ setenv POT GB
 setenv PREFIX 1L2Y_REMD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv UNRES_ROOT /users/adam/unres/
-setenv DD $UNRES_ROOT/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
 setenv ROTPAR $DD/scgauss.parm
@@ -16,7 +16,8 @@ setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm
 setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-setenv SCCORPAR $DD/rotcorr_AM1.parm
+#setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
 #-----------------------------------------------------------------------------
diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro.out_GB000 b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro.out_GB000
index a1cae09..bb301ef 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro.out_GB000
+++ b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro.out_GB000
@@ -5,25 +5,25 @@
  Output file                     : 1L2Y_micro.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
@@ -400,13 +400,13 @@ Initial:
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.55145E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    3.56734E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.82531E+02
+                               MD steps:    3.91938E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   385.605468750000       sec
+ Total wall clock time   401.093750000000       sec
diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/fort.2 b/examples/unres/new/microcanonical/RESPA/ff_1l2y/fort.2
index 922f906..313d869 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/fort.2
+++ b/examples/unres/new/microcanonical/RESPA/ff_1l2y/fort.2
@@ -5,19 +5,21 @@
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    3.56293E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-              
+                  MD calculations setup:    7.81250E-03
+           Energy & g
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    3.90625E-03
+           Energy & g
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.56250E-02
-           Energy & gradient evaluation:    3.57957E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.65191E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.85562E+02
+                               MD steps:    4.01066E+02
 
 
 ============================  End of MD calculation  ===========================
@@ -51,11 +53,11 @@
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.95312E-02
-           Energy & gradient evaluation:    3.56824E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.65598E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.84301E+02
+                               MD steps:    4.01039E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/unres.csh b/examples/unres/new/microcanonical/RESPA/ff_1l2y/unres.csh
index 4f6a64b..56f5fb9 100755
--- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/unres.csh
+++ b/examples/unres/new/microcanonical/RESPA/ff_1l2y/unres.csh
@@ -6,11 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
-#setenv UNRES_BIN /users/aks255/newUNRES/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro.inp b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro.inp
index 73f1df3..7f02621 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro.inp
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro.inp
@@ -1,5 +1,5 @@
 1L2Y microcanonical simulation with A-MTS algorithm in ff_gab
-SEED=-3059743 PDBSTART PDBREF MD RESCALE_MODE=2
+SEED=-3059743 REFSTR PDBREF MD RESCALE_MODE=2
 nstep=1000000  ntwe=10000 ntwx=10000  dt=0.01 damax=20.0 dvmax=20.0 lang=0     &
 t_bath=300 reset_vel=0 respa ntime_split=1 maxtime_split=1024
 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
@@ -8,5 +8,21 @@ WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
 WVDWPP=0.11371 WHPB=1.00000                                                    &
 CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0
 ../../../1L2Y.pdb
+22
+ D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO
+ SER D
  0
  0
+  104.9286   87.6954   81.9040   82.4664   84.4658   83.9446   85.3958   91.4490
+   94.6016  101.8618  119.3634   94.3628   96.2641  138.1186   96.2995  129.7022
+  109.4446  106.3486  106.0416  108.7182
+ -100.4302   72.4264   66.0265   51.4337   53.5083   60.5686   44.1766   67.6037
+  -72.8136  -61.9155  -75.8939   67.3579  129.7011  -95.5708   63.9717  -74.5043
+ -122.3059 -134.6048   92.1133
+  102.3561  120.0919  152.3636  134.9756  122.3426  152.1780  159.0518  100.5580
+  139.9612    0.0000    0.0000  117.4525  137.0250  146.2899    0.0000   93.9014
+  101.0251  113.0432   93.7775  153.8351
+  -82.3166  -56.6854   85.0901  -88.6662 -140.9453   38.0240  179.4707  -73.0903
+ -144.7967    0.0000    0.0000 -133.1635 -106.6593 -130.3055    0.0000 -102.7467
+ -111.6412 -122.0445 -102.3738 -143.3033
+
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro.out_GB000 b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro.out_GB000
index ff84532..de914f4 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro.out_GB000
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro.out_GB000
@@ -5,34 +5,34 @@
  Output file                     : 1L2Y_micro.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
  p8g-sc
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
- Bond & inertia constant file    : /users/aks255/newUNRES/unres/PARAM/bond.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/thetaml.5parm
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/scgauss.parm
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 300
- compiled Thu Jul  5 03:59:46 2012
- compiled by aks255@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
  OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
@@ -240,31 +240,32 @@ nsup= 20
           12  PRO           20  LEU            3
           13  PRO           20  TYR            4
           14  PRO           20  TRP            7
+Initial geometry will be read in.
 
 Geometry of the virtual chain.
   Res           d     Theta     Gamma       Dsc     Alpha      Beta 
 D     1     0.000     0.000     0.000     0.000     0.000     0.000
-ASN   2     3.861     0.000     0.000     1.977    94.624  -178.093
-LEU   3     3.876    92.239     0.000     2.195   102.878   -79.236
-TYR   4     3.861    92.239  -180.000     3.330   163.195    -7.440
-ILE   5     3.871    90.357    45.849     1.692   144.011  -104.516
-GLN   6     3.846    89.090    55.194     2.338   170.986  -139.318
-TRP   7     3.867    88.657    49.396     3.617   123.650   -21.913
-LEU   8     3.859    93.032    48.298     2.105   151.723  -105.899
-LYS   9     3.882    94.826    46.843     2.997   106.974   -55.960
-ASP  10     3.861    87.966    59.623     1.991   153.447  -128.646
-GLY  11     3.891    89.908    56.679     0.000     0.000     0.000
-GLY  12     3.864   100.181   -87.304     0.000     0.000     0.000
-PRO  13     3.886   109.073  -127.499     1.402   101.771  -115.580
-SER  14     3.876    89.537     4.261     1.267   144.515  -129.218
-SER  15     3.875    91.815    66.108     1.262   161.047  -100.177
-GLY  16     3.866   101.784    70.140     0.000     0.000     0.000
-ARG  17     3.866    92.201  -108.949     3.411   139.846  -132.716
-PRO  18     3.878   133.225   103.824     1.397   115.610  -118.024
-PRO  19     3.860   121.502  -122.527     1.395   118.575  -122.417
-PRO  20     3.858   117.950   -90.285     1.396   118.959  -126.207
-SER  21     3.864   114.201  -108.328     0.708   128.925   -37.341
-D    22     3.858   114.201   180.000     0.000     0.000     0.000
+ASN   2     3.800     0.000     0.000     1.684   102.356   -82.317
+LEU   3     3.800   104.929     0.000     1.939   120.092   -56.685
+TYR   4     3.800    87.695  -100.430     2.484   152.364    85.090
+ILE   5     3.800    81.904    72.426     1.776   134.976   -88.666
+GLN   6     3.800    82.466    66.026     2.240   122.343  -140.945
+TRP   7     3.800    84.466    51.434     2.605   152.178    38.024
+LEU   8     3.800    83.945    53.508     1.939   159.052   179.471
+LYS   9     3.800    85.396    60.569     2.541   100.558   -73.090
+ASP  10     3.800    91.449    44.177     1.709   139.961  -144.797
+GLY  11     3.800    94.602    67.604     0.000     0.000     0.000
+GLY  12     3.800   101.862   -72.814     0.000     0.000     0.000
+PRO  13     3.800   119.363   -61.916     1.345   117.453  -133.163
+SER  14     3.800    94.363   -75.894     1.150   137.025  -106.659
+SER  15     3.800    96.264    67.358     1.150   146.290  -130.305
+GLY  16     3.800   138.119   129.701     0.000     0.000     0.000
+ARG  17     3.800    96.299   -95.571     3.020    93.901  -102.747
+PRO  18     3.800   129.702    63.972     1.345   101.025  -111.641
+PRO  19     3.800   109.445   -74.504     1.345   113.043  -122.044
+PRO  20     3.800   106.349  -122.306     1.345    93.778  -102.374
+SER  21     3.800   106.042  -134.605     1.150   153.835  -143.303
+D    22     3.800   108.718    92.113     0.000     0.000     0.000
 
 
 ********************************************************************************
@@ -305,151 +306,103 @@ Mesoscopic molecular dynamics (MD) calculation.
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
-  4.226504204090251E-017 -1.020894735287500E-018 -4.083578941150001E-019
+  7.350442094070002E-018 -1.983088023295969E-017  2.245968417632500E-018
 
 
               alpha-carbon coordinates            centroid coordinates
              X           Y           Z          X           Y           Z
 D  (  1)     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-ASN(  2)     3.86050     0.00000     0.00000     2.55159     1.47985     0.06557
-LEU(  3)     4.01193    -3.87344     0.00000     3.96088    -4.50305    -2.10206
-TYR(  4)     7.87243    -3.87344     0.00000    10.79652    -4.89021    -1.22632
-ILE(  5)     7.89655    -1.17680     2.77774     7.76075     0.44675     2.31935
-GLN(  6)     5.70141    -3.47509     4.94285     3.60888    -3.02771     5.88565
-TRP(  7)     8.16996    -6.36206     4.22016    10.77228    -8.29798     2.61912
-LEU(  8)    11.25658    -4.20989     5.07405    12.42370    -3.38205     3.52958
-LYS(  9)     9.76612    -2.79308     8.36640     6.86736    -2.82804     9.12493
-ASP( 10)     9.49962    -6.42561     9.64741     7.69328    -7.25489     9.53489
-GLY( 11)    13.31647    -6.90493     9.06335    13.31647    -6.90493     9.06335
-GLY( 12)    13.30671    -8.01769     5.36352    13.30671    -8.01769     5.36352
-PRO( 13)    15.31165   -11.32992     5.02827    16.17763   -10.48298     4.32295
-SER( 14)    15.75414   -11.41497     8.87760    16.77305   -10.71800     9.16233
-SER( 15)    11.95328   -11.92981     9.42670    11.12717   -10.97987     9.51528
-GLY( 16)    11.45094   -15.53878     8.13618    11.45094   -15.53878     8.13618
-ARG( 17)     9.54906   -14.31220     5.00147     7.79760   -12.40573     7.22288
-PRO( 18)    10.53690   -13.94710     1.26956     9.62009   -14.99504     1.15440
-PRO( 19)    10.30439   -10.55356    -0.55592    11.52337   -10.99526    -1.06954
-PRO( 20)     6.99735    -9.68439    -2.34313     7.03150    -8.66136    -1.39345
-SER( 21)     7.20688    -9.78655    -6.20031     7.28380   -10.16020    -6.79638
-D  ( 22)     3.89984    -8.91739    -7.98752     3.89984    -8.91739    -7.98752
+ASN(  2)     3.80000     0.00000     0.00000     4.19395     0.15176     1.63022
+LEU(  3)     4.77894    -3.67174     0.00000     6.45470    -4.61120    -0.26262
+TYR(  4)     5.40376    -3.34701     3.73419     6.99608    -4.40943     5.31723
+ILE(  5)     1.60715    -3.20688     3.81267     0.66846    -2.00631     2.90072
+GLN(  6)     1.94839    -6.79081     2.59652     1.67496    -6.00460     0.51692
+TRP(  7)     4.28674    -7.18710     5.56554     6.06986    -8.42183     7.00843
+LEU(  8)     1.35234    -5.80840     7.54758     1.66208    -4.14953     8.50254
+LYS(  9)    -0.53224    -8.86183     6.29662     0.02805    -9.25716     3.84989
+ASP( 10)     2.43549   -11.11658     7.03737     3.20275   -10.98938     5.51559
+GLY( 11)     2.18504   -10.72111    10.80843     2.18504   -10.72111    10.80843
+GLY( 12)     3.43786    -7.16826    11.30614     3.43786    -7.16826    11.30614
+PRO( 13)     6.99461    -6.28836    10.29851     6.42185    -5.11686     9.96902
+SER( 14)     8.57536    -7.97729    13.31326     8.31540    -7.39705    14.27151
+SER( 15)     7.65918   -11.53050    12.32568     6.78456   -11.09058    11.72234
+GLY( 16)     9.38152   -14.89751    11.95581     9.38152   -14.89751    11.95581
+ARG( 17)    10.03694   -14.62275     8.22286     7.37409   -13.20714     8.38321
+PRO( 18)    12.21420   -12.16088     6.31531    11.85460   -12.99540     5.32369
+PRO( 19)    10.48638    -8.77881     6.18806    11.49173    -8.46972     7.02636
+PRO( 20)    10.10763    -7.90895     2.50840     8.81244    -7.79183     2.85161
+SER( 21)    11.17729    -4.27813     2.17220    10.31507    -3.69519     2.66134
+D  ( 22)    14.88269    -4.17086     1.33644    14.88269    -4.17086     1.33644
 
 Geometry of the virtual chain.
   Res           d     Theta     Gamma       Dsc     Alpha      Beta 
 D     1     0.000     0.000     0.000     0.000     0.000     0.000
-ASN   2     3.861     0.000     0.000     1.977    94.624  -178.093
-LEU   3     3.876    92.239     0.000     2.195   102.878   -79.236
-TYR   4     3.861    92.239  -180.000     3.330   163.195    -7.440
-ILE   5     3.871    90.357    45.849     1.692   144.011  -104.516
-GLN   6     3.846    89.090    55.194     2.338   170.986  -139.318
-TRP   7     3.867    88.657    49.396     3.617   123.650   -21.913
-LEU   8     3.859    93.032    48.298     2.105   151.723  -105.899
-LYS   9     3.882    94.826    46.843     2.997   106.974   -55.960
-ASP  10     3.861    87.966    59.623     1.991   153.447  -128.646
-GLY  11     3.891    89.908    56.679     0.000   180.000   180.000
-GLY  12     3.864   100.181   -87.304     0.000   180.000   180.000
-PRO  13     3.886   109.073  -127.499     1.402   101.771  -115.580
-SER  14     3.876    89.537     4.261     1.267   144.515  -129.218
-SER  15     3.875    91.815    66.108     1.262   161.047  -100.177
-GLY  16     3.866   101.784    70.140     0.000   180.000   180.000
-ARG  17     3.866    92.201  -108.949     3.411   139.846  -132.716
-PRO  18     3.878   133.225   103.824     1.397   115.610  -118.024
-PRO  19     3.860   121.502  -122.527     1.395   118.575  -122.417
-PRO  20     3.858   117.950   -90.285     1.396   118.959  -126.207
-SER  21     3.864   114.201  -108.328     0.708   128.925   -37.341
-D    22     3.858   114.201   180.000     0.000   180.000   180.000
+ASN   2     3.800     0.000     0.000     1.684   102.356   -82.317
+LEU   3     3.800   104.929     0.000     1.939   120.092   -56.685
+TYR   4     3.800    87.695  -100.430     2.484   152.364    85.090
+ILE   5     3.800    81.904    72.426     1.776   134.976   -88.666
+GLN   6     3.800    82.466    66.026     2.240   122.343  -140.945
+TRP   7     3.800    84.466    51.434     2.605   152.178    38.024
+LEU   8     3.800    83.945    53.508     1.939   159.052   179.471
+LYS   9     3.800    85.396    60.569     2.541   100.558   -73.090
+ASP  10     3.800    91.449    44.177     1.709   139.961  -144.797
+GLY  11     3.800    94.602    67.604     0.000   180.000   180.000
+GLY  12     3.800   101.862   -72.814     0.000   180.000   180.000
+PRO  13     3.800   119.363   -61.916     1.345   117.453  -133.163
+SER  14     3.800    94.363   -75.894     1.150   137.025  -106.659
+SER  15     3.800    96.264    67.358     1.150   146.290  -130.306
+GLY  16     3.800   138.119   129.701     0.000   180.000   180.000
+ARG  17     3.800    96.299   -95.571     3.020    93.901  -102.747
+PRO  18     3.800   129.702    63.972     1.345   101.025  -111.641
+PRO  19     3.800   109.445   -74.504     1.345   113.043  -122.045
+PRO  20     3.800   106.349  -122.306     1.345    93.777  -102.374
+SER  21     3.800   106.042  -134.605     1.150   153.835  -143.303
+D    22     3.800   108.718    92.113     0.000   180.000   180.000
  Potential energy and its components
 
 Virtual-chain energies:
 
-EVDW=     -1.475487E+01 WEIGHT=    1.352790D+00 (SC-SC)
-EVDW2=     4.471415E+01 WEIGHT=    1.593040D+00 (SC-p)
-EES=      -9.165378E+01 WEIGHT=    7.153400D-01 (p-p)
-EVDWPP=   -3.362882E+01 WEIGHT=    1.137100D-01 (p-p VDW)
-ESTR=      6.750243E+02 WEIGHT=    1.000000D+00 (stretching)
-EBE=      -3.261471E+01 WEIGHT=    1.138730D+00 (bending)
-ESC=       5.789477E+01 WEIGHT=    1.625800D-01 (SC local)
-ETORS=     1.479510E+01 WEIGHT=    1.985990D+00 (torsional)
-ETORSD=    1.006444E+00 WEIGHT=    1.570690D+00 (double torsional)
+EVDW=     -4.436790E+01 WEIGHT=    1.352790D+00 (SC-SC)
+EVDW2=     5.228224E+01 WEIGHT=    1.593040D+00 (SC-p)
+EES=      -1.132072E+02 WEIGHT=    7.153400D-01 (p-p)
+EVDWPP=    2.375178E+01 WEIGHT=    1.137100D-01 (p-p VDW)
+ESTR=      6.779273E-27 WEIGHT=    1.000000D+00 (stretching)
+EBE=      -1.651995E+01 WEIGHT=    1.138730D+00 (bending)
+ESC=       7.185904E+01 WEIGHT=    1.625800D-01 (SC local)
+ETORS=     8.243370E+00 WEIGHT=    1.985990D+00 (torsional)
+ETORSD=    2.390466E+00 WEIGHT=    1.570690D+00 (double torsional)
 EHPB=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4=   -6.528803E+01 WEIGHT=    4.288700D-01 (multi-body)
+ECORR4=   -8.338619E+01 WEIGHT=    4.288700D-01 (multi-body)
 ECORR5=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
 ECORR6=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
-EELLO=    -4.012900E+00 WEIGHT=    1.603600D-01 (electrostatic-local)
-ETURN3=    1.829789E+01 WEIGHT=    1.687220D+00 (turns, 3rd order)
-ETURN4=    6.580750E-01 WEIGHT=    6.623000D-01 (turns, 4th order)
+EELLO=    -5.753258E+00 WEIGHT=    1.603600D-01 (electrostatic-local)
+ETURN3=    1.901845E+01 WEIGHT=    1.687220D+00 (turns, 3rd order)
+ETURN4=   -7.304754E+00 WEIGHT=    6.623000D-01 (turns, 4th order)
 ETURN6=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 6th order)
 ESCCOR=    0.000000E+00 WEIGHT=    0.000000D+00 (backbone-rotamer corr)
 EDIHC=     0.000000E+00 (dihedral angle constraints)
 ESS=       0.000000E+00 (disulfide-bridge intrinsic energy)
 UCONST=     0.000000E+00 (Constraint energy)
-ETOT=      6.628097E+02 (total)
+ETOT=     -5.145065E+01 (total)
 
 Initial:
-           Kinetic energy   3.07644E+01
-         potential energy   6.62810E+02
-             total energy   6.93574E+02
+           Kinetic energy   3.24616E+01
+         potential energy  -5.14506E+01
+             total energy  -1.89891E+01
 
-    maximum acceleration    8.66045E+00
+    maximum acceleration    1.98994E-01
 
- acceleration/energy drift too large   6734279.41463274     
-   54738311078.4543       split increased to            2  itime      200118 
-  itsplit           1
- acceleration/energy drift too large   24.4895369028038     
-   1.32821218845467       split increased to            2  itime      266081 
-  itsplit           1
- acceleration/energy drift too large   44.4311917664969     
-   4.57319205143200       split increased to            2  itime      402601 
-  itsplit           1
- acceleration/energy drift too large   28.7572428909513     
-  0.788936299146734       split increased to            2  itime      442590 
-  itsplit           1
- acceleration/energy drift too large   20.2089764275842     
-  0.691673346201888       split increased to            2  itime      500270 
-  itsplit           1
- acceleration/energy drift too large   88.4493437373067     
-   9.37101357246886       split increased to            2  itime      507636 
-  itsplit           1
- acceleration/energy drift too large   21.6111228162178     
-  0.788433998481953       split increased to            2  itime      593794 
-  itsplit           1
- acceleration/energy drift too large   45.1553522760112     
-   1.55936649601761       split increased to            2  itime      649983 
-  itsplit           1
- acceleration/energy drift too large   20.6831475552737     
-  0.213878726179870       split increased to            2  itime      655014 
-  itsplit           1
- acceleration/energy drift too large   26.2212647543526     
-   1.13468372407443       split increased to            2  itime      745766 
-  itsplit           1
- acceleration/energy drift too large   21.7231442885384     
-  0.800053830161955       split increased to            2  itime      753149 
-  itsplit           1
- acceleration/energy drift too large   20.2313659174623     
-  0.170161192756919       split increased to            2  itime      786929 
-  itsplit           1
- acceleration/energy drift too large   46.0826648400908     
-   1.73113689064057       split increased to            2  itime      843183 
-  itsplit           1
- acceleration/energy drift too large   59.0640848256989     
-   7.53088041329393       split increased to            2  itime      897348 
-  itsplit           1
- acceleration/energy drift too large   21.0228612878638     
-   1.14611488476855       split increased to            2  itime      922019 
-  itsplit           1
- acceleration/energy drift too large   26.5185743531151     
-   1.60871726136454       split increased to            2  itime      979841 
-  itsplit           1
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.56250E-02
-           Energy & gradient evaluation:    3.50645E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    3.78512E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.79141E+02
+                               MD steps:    4.12785E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   384.445312500000       sec
+ Total wall clock time   419.316406250000       sec
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_000.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_000.rst
index 5080d79..8549144 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_000.rst
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_000.rst
@@ -1,90 +1,90 @@
-   10000.0000001719        435.410882866731        256.100162092213     
-   691.511044958944        300.000000000000     
+   10000.0000001719        27.3183029506630       -46.3045942223490     
+  -18.9862912716860        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.48559E-01   -0.41938E+00   -0.12165E+00
-    0.40579E+00    0.12998E-01   -0.35444E+00
-   -0.49770E+00    0.30076E+00    0.20050E-01
-    0.18909E+00   -0.58959E+00    0.62741E+00
-    0.97227E-01   -0.24514E+00    0.24739E+00
-   -0.23220E+00   -0.22132E-01   -0.40200E+00
-   -0.95526E+00    0.14355E+01    0.52414E+00
-    0.86140E+00   -0.16472E+01   -0.38267E+00
-    0.50686E+00    0.90341E+00   -0.64695E+00
-   -0.13463E+01    0.44847E+00    0.15170E+01
-    0.55699E+00   -0.10454E+01   -0.13240E+01
-    0.80314E+00    0.56987E+00   -0.34210E+00
-   -0.52711E+00   -0.73873E+00    0.41848E+00
-   -0.14649E+00   -0.52798E-02    0.23434E+00
-    0.40319E+00    0.96529E+00    0.58455E-01
-   -0.16704E+00   -0.17197E+00   -0.18907E-01
-   -0.18582E+00   -0.23471E+00    0.38625E+00
-   -0.24670E+00    0.10692E+00   -0.73262E-01
-    0.12709E+01    0.53953E+00    0.10066E+01
+   -0.13871E+00    0.68484E-01    0.35853E+00
+   -0.17004E+00   -0.79889E-01   -0.81270E-02
+    0.26278E+00    0.31986E-01   -0.14296E+00
+   -0.19319E+00    0.14474E+00    0.18473E+00
+    0.89070E-02   -0.14378E+00   -0.11039E+00
+    0.41847E-01    0.45727E-01    0.12867E+00
+   -0.29618E-02    0.62489E-01   -0.12692E+00
+   -0.37272E-01   -0.29935E-02   -0.33392E-01
+    0.10647E+00    0.19382E+00   -0.19519E+00
+   -0.45127E-01   -0.22661E+00    0.16255E+00
+    0.18184E-01   -0.12199E+00   -0.23981E-02
+    0.22142E+00   -0.14483E+00   -0.51509E-01
+   -0.42765E+00    0.20298E+00    0.33804E-01
+    0.46262E-02   -0.40157E-01    0.20576E-01
+    0.18942E+00    0.42766E-01    0.19735E+00
+   -0.93088E-01    0.12153E+00   -0.16007E+00
+    0.11232E+00   -0.22663E+00   -0.24917E-01
+    0.54453E-01   -0.14602E+00   -0.10632E+00
+   -0.60765E-01    0.16202E+00    0.19266E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.57479E+00   -0.38637E+00    0.14814E+00
-    0.62237E-01    0.34655E+00   -0.28293E-01
-   -0.66614E+00   -0.12526E+00    0.63380E+00
-   -0.30880E+00   -0.40537E+00    0.61128E+00
-    0.12477E+00   -0.16656E-01    0.16761E+00
-   -0.34138E+00    0.28038E+00   -0.37075E+00
-    0.19084E+00   -0.69021E-01   -0.98328E-02
-    0.64777E+00   -0.87818E+00   -0.47531E+00
-   -0.34039E+00    0.38682E+00   -0.25419E-01
+   -0.48604E-01    0.57649E-01    0.28596E+00
+    0.23591E-01    0.12845E+00   -0.59336E-01
+    0.65763E-02    0.10479E-01   -0.87536E-01
+   -0.19895E+00   -0.26555E-01   -0.58049E-02
+    0.44657E-01   -0.10045E+00   -0.16498E+00
+   -0.53495E-01    0.93427E-01   -0.58371E-01
+    0.12435E+00    0.81856E-01    0.12369E-01
+   -0.13328E-01   -0.69272E-01   -0.50500E-01
+    0.88153E-01   -0.64090E-01    0.11657E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.96678E-01    0.56161E-01    0.24530E+00
-   -0.60527E+00   -0.15512E+00   -0.97489E-01
-   -0.29929E+00    0.10996E+01    0.17733E+00
+    0.56196E-02    0.19249E+00    0.64738E-01
+   -0.22446E+00    0.15777E+00    0.32626E-01
+    0.16485E+00    0.12380E+00    0.18694E-01
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.13669E+00   -0.54350E+00    0.24174E+00
-    0.55274E-02   -0.73645E+00    0.58415E-01
-   -0.27832E+00   -0.28733E+00   -0.39852E+00
-    0.52591E+00   -0.23417E+00   -0.37588E+00
-   -0.71809E+00   -0.50026E+00    0.88936E-01
+    0.51163E-01    0.45754E-01   -0.15029E+00
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_001.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_001.rst
index 58c2d42..ac5594b 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_001.rst
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_001.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_002.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_002.rst
index ae2fc17..6a7a731 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_002.rst
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_002.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_003.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_003.rst
index 5e08716..406bd04 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_003.rst
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_003.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_004.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_004.rst
index c874ca1..65d8119 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_004.rst
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_004.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_005.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_005.rst
index 03e79a9..3cbbf44 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_005.rst
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_005.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_006.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_006.rst
index 6d73d11..4c62558 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_006.rst
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_006.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_007.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_007.rst
index b6e5ce5..05364f0 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_007.rst
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_007.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB000.stat b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB000.stat
index a06d9f0..984bc3a 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB000.stat
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB000.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.764     662.810     693.574   0.00 1.000 0.000 0.308 8.660     279.110     300.000       7.001    0 
-     10000         100.00     440.743     253.217     693.960   5.76 0.071 0.857 0.227 0.232    3998.651     300.000      10.125    0 
-     20000         200.00     438.267     255.579     693.846   8.35 0.071 0.000 0.136 0.166    3976.188     300.000      12.527    0 
-     30000         300.00     497.992     195.158     693.150   6.79 0.071 0.500 0.159 0.177    4518.045     300.000       7.834    0 
-     40000         400.00     438.114     254.186     692.300  10.43 0.000 1.000 0.159 0.232    3974.794     300.000      14.003    0 
-     50000         500.00     498.784     194.950     693.734   6.28 0.000   NaN   NaN 0.450    4525.225     300.000      11.105    0 
-     60000         600.00     418.363     275.135     693.498   4.90 0.000   NaN   NaN 0.149    3795.605     300.000       9.047    0 
-     70000         700.00     443.087     250.043     693.130   7.07 0.000 1.000 0.167 0.330    4019.918     300.000      10.120    0 
-     80000         800.00     488.550     204.417     692.966   7.49 0.000 1.000 0.136 0.431    4432.375     300.000      12.097    0 
-     90000         900.00     452.077     242.093     694.170   7.57 0.000   NaN   NaN 0.323    4101.472     300.000      11.765    0 
-    100000        1000.00     449.052     245.321     694.372   6.03 0.000 1.000 0.136 0.323    4074.027     300.000       9.555    0 
-    110000        1100.00     486.441     207.671     694.112   8.53 0.000   NaN   NaN 0.251    4413.246     300.000      12.418    0 
-    120000        1200.00     456.833     236.174     693.007   8.13 0.071 0.000 0.136 0.506    4144.629     300.000      11.194    0 
-    130000        1300.00     419.189     274.074     693.263   6.94 0.143 0.000 0.182 0.313    3803.103     300.000       8.817    0 
-    140000        1400.00     443.142     249.831     692.973   9.16 0.000 1.000 0.136 0.169    4020.410     300.000      12.998    0 
-    150000        1500.00     525.372     167.222     692.594   6.12 0.143 0.333 0.136 0.189    4766.447     300.000      10.045    0 
-    160000        1600.00     393.178     299.050     692.229   6.19 0.071 0.500 0.159 0.139    3567.115     300.000       9.175    0 
-    170000        1700.00     453.749     238.342     692.091   5.27 0.000 1.000 0.182 0.238    4116.643     300.000      10.076    0 
-    180000        1800.00     461.562     230.503     692.065   6.15 0.000   NaN   NaN 0.297    4187.529     300.000      11.410    0 
-    190000        1900.00     388.345     304.593     692.938   7.92 0.000 1.000 0.273 0.381    3523.264     300.000      10.947    0 
-    200000        2000.00     397.099     296.233     693.333   6.97 0.071 0.667 0.136 0.270    3602.691     300.000      10.364    0 
-    210000        2100.00     452.989     240.355     693.343   6.72 0.000 1.000 0.136 0.355    4109.746     300.000       8.852    0 
-    220000        2200.00     373.865     319.469     693.334  11.09 0.000 1.000 0.182 0.253    3391.901     300.000      14.665    0 
-    230000        2300.00     399.341     293.542     692.884   5.78 0.071 0.800 0.391 0.268    3623.031     300.000       8.673    0 
-    240000        2400.00     403.386     290.314     693.700   9.00 0.000 1.000 0.152 0.229    3659.723     300.000      11.011    0 
-    250000        2500.00     369.478     324.448     693.926   8.04 0.071 0.500 0.136 0.509    3352.096     300.000      11.887    0 
-    260000        2600.00     439.746     253.996     693.742   6.92 0.000   NaN   NaN 0.303    3989.603     300.000      10.757    0 
-    270000        2700.00     427.204     265.863     693.067   8.80 0.000 1.000 0.212 0.200    3875.816     300.000      11.682    0 
-    280000        2800.00     466.106     227.175     693.281   7.71 0.071 0.833 0.220 0.212    4228.752     300.000       8.987    0 
-    290000        2900.00     487.111     206.012     693.123   4.83 0.000 1.000 0.136 0.181    4419.325     300.000       9.771    0 
-    300000        3000.00     395.024     297.804     692.828   7.95 0.071 0.500 0.136 0.305    3583.863     300.000      11.337    0 
-    310000        3100.00     510.401     183.126     693.527   5.92 0.071 0.500 0.205 0.164    4630.623     300.000       9.570    0 
-    320000        3200.00     434.391     260.070     694.461  10.27 0.000 1.000 0.136 0.254    3941.021     300.000      13.623    0 
-    330000        3300.00     449.152     244.356     693.508   5.94 0.000 1.000 0.136 0.357    4074.940     300.000       8.712    0 
-    340000        3400.00     417.427     276.340     693.767   5.80 0.000 1.000 0.545 0.196    3787.114     300.000      10.364    0 
-    350000        3500.00     392.611     301.262     693.873   8.05 0.000   NaN   NaN 0.265    3561.968     300.000      11.259    0 
-    360000        3600.00     484.303     209.534     693.837   8.20 0.143 0.500 0.170 0.175    4393.849     300.000      10.655    0 
-    370000        3700.00     472.243     222.246     694.489   7.74 0.071 0.750 0.170 0.299    4284.433     300.000      10.911    0 
-    380000        3800.00     391.805     302.037     693.842   7.02 0.000 1.000 0.273 0.446    3554.661     300.000       9.871    0 
-    390000        3900.00     430.964     262.409     693.373   6.32 0.000   NaN   NaN 0.365    3909.927     300.000       9.419    0 
-    400000        4000.00     444.835     248.449     693.284   6.83 0.000   NaN   NaN 0.393    4035.777     300.000      11.226    0 
-    410000        4100.00     450.978     240.652     691.630   7.31 0.000   NaN   NaN 0.421    4091.509     300.000      11.235    0 
-    420000        4200.00     408.537     281.141     689.678   7.90 0.000 1.000 0.152 0.143    3706.457     300.000      10.976    0 
-    430000        4300.00     418.370     270.570     688.940   5.12 0.000   NaN   NaN 0.325    3795.671     300.000      10.002    0 
-    440000        4400.00     446.047     242.432     688.478   6.26 0.071 0.667 0.167 0.450    4046.765     300.000      10.467    0 
-    450000        4500.00     437.394     250.666     688.060   8.53 0.071 0.667 0.136 0.237    3968.266     300.000      11.592    0 
-    460000        4600.00     460.168     227.901     688.069   5.97 0.071 0.750 0.148 0.281    4174.882     300.000      10.166    0 
-    470000        4700.00     504.655     183.095     687.750   4.30 0.071 0.800 0.236 0.298    4578.495     300.000       8.281    0 
-    480000        4800.00     437.742     249.942     687.684   9.90 0.071 0.500 0.159 0.435    3971.425     300.000      11.969    0 
-    490000        4900.00     449.116     237.993     687.109   5.25 0.000 1.000 0.682 0.308    4074.614     300.000       8.474    0 
-    500000        5000.00     442.362     244.868     687.230   7.49 0.000 1.000 0.136 0.202    4013.335     300.000      11.175    0 
-    510000        5100.00     404.841     278.962     683.803   4.55 0.000   NaN   NaN 0.294    3672.926     300.000       8.745    0 
-    520000        5200.00     437.369     246.347     683.716  13.43 0.000   NaN   NaN 0.528    3968.038     300.000      16.665    0 
-    530000        5300.00     442.936     241.829     684.766   5.05 0.071 0.667 0.212 0.409    4018.548     300.000       7.715    0 
-    540000        5400.00     460.978     223.829     684.807   6.22 0.143 0.600 0.245 0.147    4182.229     300.000       9.924    0 
-    550000        5500.00     435.981     248.659     684.640  10.51 0.000 1.000 0.182 0.310    3955.445     300.000      14.013    0 
-    560000        5600.00     410.418     274.448     684.866   7.61 0.000 1.000 0.364 0.432    3723.520     300.000       9.461    0 
-    570000        5700.00     457.156     227.816     684.973   7.25 0.000 1.000 0.197 0.285    4147.558     300.000      10.503    0 
-    580000        5800.00     404.980     279.821     684.801  10.03 0.071 0.500 0.159 0.201    3674.186     300.000      13.367    0 
-    590000        5900.00     413.702     271.467     685.170   7.83 0.000 1.000 0.205 0.260    3753.323     300.000      10.132    0 
-    600000        6000.00     383.984     302.766     686.750   4.71 0.000 1.000 0.136 0.233    3483.698     300.000       9.273    0 
-    610000        6100.00     406.416     281.203     687.620  10.93 0.000   NaN   NaN 0.305    3687.220     300.000      14.361    0 
-    620000        6200.00     416.588     270.836     687.424   6.92 0.000 1.000 0.432 0.323    3779.499     300.000       9.456    0 
-    630000        6300.00     523.073     164.416     687.489   6.70 0.000 1.000 0.136 0.440    4745.589     300.000      10.820    0 
-    640000        6400.00     415.870     273.443     689.313   7.13 0.071 0.500 0.136 0.153    3772.989     300.000      12.290    0 
-    650000        6500.00     434.018     254.477     688.495   6.70 0.071 0.800 0.245 0.223    3937.637     300.000       9.982    0 
-    660000        6600.00     466.118     218.783     684.901   6.05 0.000 1.000 0.273 0.164    4228.866     300.000       7.794    0 
-    670000        6700.00     412.829     271.747     684.576   6.80 0.000 1.000 0.209 0.209    3745.398     300.000       8.754    0 
-    680000        6800.00     354.799     331.552     686.351   8.55 0.000 1.000 0.136 0.243    3218.920     300.000      13.082    0 
-    690000        6900.00     451.870     234.660     686.530   4.91 0.000 1.000 0.364 0.287    4099.598     300.000       8.052    0 
-    700000        7000.00     397.403     288.229     685.632  10.73 0.000   NaN   NaN 0.164    3605.444     300.000      13.153    0 
-    710000        7100.00     441.399     246.224     687.624   5.18 0.000 1.000 0.200 0.348    4004.601     300.000       8.315    0 
-    720000        7200.00     485.049     202.764     687.814   9.02 0.071 0.667 0.152 0.444    4400.619     300.000      12.323    0 
-    730000        7300.00     455.614     232.005     687.619   7.51 0.214 0.500 0.174 0.347    4133.564     300.000      10.851    0 
-    740000        7400.00     367.864     320.929     688.793   5.22 0.000 1.000 0.341 0.241    3337.452     300.000       7.539    0 
-    750000        7500.00     449.331     243.003     692.334   9.96 0.000   NaN   NaN 0.213    4076.562     300.000      12.403    0 
-    760000        7600.00     412.288     281.269     693.557   5.05 0.000 1.000 0.167 0.325    3740.487     300.000       8.959    0 
-    770000        7700.00     500.064     193.214     693.278   7.04 0.071 0.750 0.250 0.164    4536.838     300.000       9.996    0 
-    780000        7800.00     405.866     287.605     693.470   6.75 0.000 1.000 0.236 0.203    3682.222     300.000       8.417    0 
-    790000        7900.00     506.917     189.027     695.945   5.40 0.000 1.000 0.182 0.269    4599.016     300.000       9.779    0 
-    800000        8000.00     451.896     244.483     696.379  10.33 0.000 1.000 0.136 0.419    4099.832     300.000      13.820    0 
-    810000        8100.00     455.782     240.616     696.398   7.01 0.000 1.000 0.273 0.283    4135.087     300.000       9.678    0 
-    820000        8200.00     467.923     228.604     696.528   6.51 0.000   NaN   NaN 0.215    4245.243     300.000      10.347    0 
-    830000        8300.00     414.222     282.300     696.521   5.59 0.071 0.667 0.167 0.318    3758.033     300.000       9.290    0 
-    840000        8400.00     396.394     299.852     696.246   9.52 0.000 1.000 0.136 0.258    3596.293     300.000      12.166    0 
-    850000        8500.00     452.855     243.921     696.776   6.13 0.000 1.000 0.242 0.105    4108.532     300.000       8.650    0 
-    860000        8600.00     461.950     234.953     696.903   7.41 0.000   NaN   NaN 0.209    4191.052     300.000      11.597    0 
-    870000        8700.00     424.534     272.987     697.521   8.84 0.000 1.000 0.136 0.472    3851.591     300.000      11.859    0 
-    880000        8800.00     432.839     263.015     695.854   6.68 0.000   NaN   NaN 0.248    3926.936     300.000      10.824    0 
-    890000        8900.00     474.986     220.896     695.883   6.88 0.071 0.000 0.136 0.242    4309.320     300.000      10.453    0 
-    900000        9000.00     446.737     251.415     698.152   9.43 0.000   NaN   NaN 0.183    4053.030     300.000      13.469    0 
-    910000        9100.00     488.445     209.513     697.959   6.43 0.000 1.000 0.159 0.256    4431.429     300.000       8.786    0 
-    920000        9200.00     425.410     272.321     697.732   7.18 0.071 0.500 0.136 0.309    3859.542     300.000      11.659    0 
-    930000        9300.00     441.780     255.520     697.300   6.98 0.000   NaN   NaN 0.135    4008.059     300.000      11.641    0 
-    940000        9400.00     454.074     243.173     697.247   5.81 0.000 1.000 0.136 0.202    4119.594     300.000       9.466    0 
-    950000        9500.00     404.036     291.781     695.817   7.67 0.000   NaN   NaN 0.175    3665.625     300.000      11.495    0 
-    960000        9600.00     400.324     292.902     693.225   8.12 0.000 1.000 0.212 0.376    3631.943     300.000       9.876    0 
-    970000        9700.00     446.197     247.364     693.562   6.43 0.000   NaN   NaN 0.203    4048.134     300.000      10.631    0 
-    980000        9800.00     462.936     228.831     691.766   6.43 0.000   NaN   NaN 0.168    4199.992     300.000      11.067    0 
-    990000        9900.00     449.710     241.844     691.554   6.54 0.000   NaN   NaN 0.152    4080.000     300.000      10.923    0 
-   1000000       10000.00     435.411     256.100     691.511   7.12 0.000   NaN   NaN 0.728    3950.272     300.000       9.283    0 
+         0           0.00      32.462     -51.451     -18.989   2.26 0.786 0.476 0.357 0.199     294.508     300.000       6.690    0 
+     10000         100.00      24.198     -43.186     -18.988   1.93 0.357 0.500 0.200 0.044     219.536     300.000       7.228    0 
+     20000         200.00      23.730     -42.717     -18.987   2.51 0.500 0.417 0.364 0.053     215.294     300.000       7.089    0 
+     30000         300.00      27.693     -46.680     -18.987   2.34 0.500 0.300 0.382 0.060     251.248     300.000       7.335    0 
+     40000         400.00      27.667     -46.655     -18.988   2.86 0.500 0.364 0.372 0.058     251.008     300.000       7.593    0 
+     50000         500.00      25.217     -44.206     -18.988   2.55 0.500 0.533 0.433 0.092     228.784     300.000       7.037    0 
+     60000         600.00      24.188     -43.177     -18.989   2.89 0.286 0.714 0.318 0.061     219.446     300.000       7.054    0 
+     70000         700.00      32.139     -51.128     -18.989   2.76 0.500 0.588 0.302 0.085     291.581     300.000       6.630    0 
+     80000         800.00      28.613     -47.601     -18.989   2.74 0.357 0.583 0.269 0.039     259.590     300.000       6.706    0 
+     90000         900.00      29.525     -48.512     -18.987   3.47 0.357 0.615 0.378 0.048     267.864     300.000       6.735    0 
+    100000        1000.00      25.287     -44.274     -18.987   3.09 0.357 0.615 0.360 0.056     229.415     300.000       6.742    0 
+    110000        1100.00      29.991     -48.979     -18.988   2.64 0.500 0.462 0.269 0.048     272.092     300.000       6.883    0 
+    120000        1200.00      29.947     -48.936     -18.989   3.38 0.571 0.529 0.251 0.037     271.693     300.000       6.611    0 
+    130000        1300.00      24.783     -43.771     -18.988   3.65 0.286 0.750 0.347 0.040     224.845     300.000       6.433    0 
+    140000        1400.00      28.166     -47.154     -18.987   3.40 0.500 0.611 0.328 0.093     255.540     300.000       6.501    0 
+    150000        1500.00      29.256     -48.245     -18.989   2.95 0.429 0.625 0.324 0.068     265.426     300.000       6.513    0 
+    160000        1600.00      29.151     -48.140     -18.990   2.99 0.429 0.600 0.330 0.089     264.469     300.000       6.686    0 
+    170000        1700.00      28.007     -46.994     -18.987   2.99 0.429 0.647 0.329 0.031     254.094     300.000       6.412    0 
+    180000        1800.00      27.391     -46.379     -18.988   3.06 0.571 0.500 0.307 0.061     248.504     300.000       6.748    0 
+    190000        1900.00      25.588     -44.577     -18.988   3.95 0.214 0.727 0.393 0.044     232.152     300.000       6.913    0 
+    200000        2000.00      24.755     -43.742     -18.987   3.57 0.286 0.750 0.384 0.063     224.592     300.000       6.843    0 
+    210000        2100.00      22.224     -41.212     -18.988   3.57 0.357 0.583 0.379 0.070     201.624     300.000       6.691    0 
+    220000        2200.00      30.972     -49.962     -18.990   3.25 0.357 0.583 0.303 0.051     280.996     300.000       7.056    0 
+    230000        2300.00      29.124     -48.114     -18.990   3.01 0.357 0.545 0.227 0.105     264.226     300.000       6.995    0 
+    240000        2400.00      26.005     -44.994     -18.989   2.57 0.357 0.643 0.292 0.061     235.928     300.000       6.783    0 
+    250000        2500.00      26.652     -45.643     -18.992   3.07 0.429 0.455 0.322 0.130     241.797     300.000       6.726    0 
+    260000        2600.00      24.720     -43.707     -18.988   2.83 0.429 0.647 0.294 0.045     224.269     300.000       6.432    0 
+    270000        2700.00      25.620     -44.608     -18.988   2.69 0.500 0.588 0.313 0.033     232.442     300.000       6.456    0 
+    280000        2800.00      24.620     -43.608     -18.988   3.23 0.214 0.750 0.280 0.064     223.366     300.000       6.632    0 
+    290000        2900.00      26.947     -45.937     -18.990   3.08 0.357 0.706 0.369 0.081     244.481     300.000       6.584    0 
+    300000        3000.00      27.231     -46.222     -18.991   3.06 0.357 0.722 0.429 0.078     247.054     300.000       6.767    0 
+    310000        3100.00      26.348     -45.339     -18.990   3.37 0.429 0.667 0.422 0.069     239.047     300.000       6.398    0 
+    320000        3200.00      32.986     -51.979     -18.994   3.34 0.357 0.643 0.422 0.119     299.262     300.000       6.722    0 
+    330000        3300.00      28.061     -47.051     -18.990   3.06 0.286 0.667 0.352 0.033     254.583     300.000       6.650    0 
+    340000        3400.00      27.075     -46.064     -18.989   3.56 0.357 0.737 0.364 0.049     245.640     300.000       6.222    0 
+    350000        3500.00      28.979     -47.969     -18.990   2.82 0.429 0.600 0.303 0.048     262.912     300.000       6.640    0 
+    360000        3600.00      30.950     -49.940     -18.990   3.78 0.357 0.643 0.435 0.071     280.796     300.000       6.440    0 
+    370000        3700.00      25.893     -44.882     -18.988   4.02 0.357 0.688 0.452 0.068     234.918     300.000       6.493    0 
+    380000        3800.00      29.611     -48.599     -18.988   3.96 0.357 0.737 0.435 0.048     268.648     300.000       6.296    0 
+    390000        3900.00      29.551     -48.541     -18.990   3.80 0.500 0.667 0.439 0.053     268.102     300.000       6.489    0 
+    400000        4000.00      27.004     -45.994     -18.990   4.10 0.429 0.667 0.414 0.071     244.996     300.000       6.339    0 
+    410000        4100.00      29.807     -48.796     -18.989   3.94 0.357 0.737 0.486 0.093     270.421     300.000       6.374    0 
+    420000        4200.00      25.543     -44.531     -18.989   3.89 0.286 0.733 0.500 0.086     231.737     300.000       6.620    0 
+    430000        4300.00      27.888     -46.877     -18.989   3.77 0.286 0.667 0.371 0.106     253.013     300.000       6.660    0 
+    440000        4400.00      23.974     -42.962     -18.988   3.45 0.357 0.667 0.303 0.058     217.509     300.000       6.899    0 
+    450000        4500.00      29.175     -48.165     -18.990   4.12 0.357 0.688 0.452 0.067     264.694     300.000       6.607    0 
+    460000        4600.00      32.794     -51.784     -18.990   3.98 0.429 0.647 0.382 0.118     297.528     300.000       6.117    0 
+    470000        4700.00      24.350     -43.338     -18.988   3.55 0.500 0.588 0.348 0.050     220.920     300.000       6.643    0 
+    480000        4800.00      29.776     -48.765     -18.989   4.16 0.357 0.688 0.406 0.083     270.146     300.000       6.260    0 
+    490000        4900.00      29.044     -48.034     -18.990   3.95 0.571 0.600 0.411 0.088     263.505     300.000       6.412    0 
+    500000        5000.00      32.501     -51.491     -18.989   3.98 0.286 0.778 0.434 0.040     294.870     300.000       6.360    0 
+    510000        5100.00      25.789     -44.779     -18.990   3.24 0.357 0.643 0.351 0.074     233.970     300.000       6.949    0 
+    520000        5200.00      27.627     -46.616     -18.989   4.02 0.429 0.684 0.397 0.028     250.644     300.000       6.499    0 
+    530000        5300.00      26.784     -45.773     -18.989   3.88 0.286 0.714 0.422 0.060     243.000     300.000       6.593    0 
+    540000        5400.00      22.395     -41.384     -18.988   3.02 0.571 0.500 0.412 0.038     203.182     300.000       6.550    0 
+    550000        5500.00      33.207     -52.196     -18.989   2.82 0.500 0.533 0.345 0.064     301.271     300.000       6.710    0 
+    560000        5600.00      29.583     -48.572     -18.989   2.73 0.500 0.462 0.385 0.074     268.395     300.000       6.901    0 
+    570000        5700.00      33.027     -52.016     -18.989   3.06 0.500 0.562 0.361 0.057     299.637     300.000       6.630    0 
+    580000        5800.00      23.583     -42.570     -18.987   3.41 0.500 0.611 0.389 0.054     213.954     300.000       6.635    0 
+    590000        5900.00      33.196     -52.185     -18.989   2.85 0.571 0.500 0.378 0.063     301.174     300.000       6.594    0 
+    600000        6000.00      27.143     -46.131     -18.988   3.25 0.429 0.600 0.370 0.087     246.256     300.000       6.633    0 
+    610000        6100.00      29.533     -48.521     -18.988   2.69 0.643 0.357 0.347 0.051     267.942     300.000       6.746    0 
+    620000        6200.00      25.622     -44.610     -18.988   3.19 0.500 0.611 0.389 0.050     232.458     300.000       6.538    0 
+    630000        6300.00      29.822     -48.809     -18.987   3.51 0.500 0.562 0.366 0.061     270.561     300.000       6.575    0 
+    640000        6400.00      28.266     -47.254     -18.988   2.73 0.500 0.462 0.329 0.057     256.443     300.000       6.935    0 
+    650000        6500.00      24.903     -43.890     -18.987   3.39 0.500 0.462 0.269 0.050     225.928     300.000       6.744    0 
+    660000        6600.00      27.829     -46.816     -18.987   4.20 0.429 0.667 0.356 0.042     252.475     300.000       6.301    0 
+    670000        6700.00      27.814     -46.801     -18.987   3.97 0.571 0.556 0.424 0.070     252.343     300.000       6.260    0 
+    680000        6800.00      33.406     -52.394     -18.988   3.96 0.429 0.600 0.427 0.060     303.076     300.000       6.285    0 
+    690000        6900.00      24.035     -43.023     -18.988   3.95 0.500 0.562 0.392 0.070     218.054     300.000       6.505    0 
+    700000        7000.00      29.347     -48.335     -18.989   3.96 0.571 0.652 0.395 0.067     266.247     300.000       6.345    0 
+    710000        7100.00      24.338     -43.326     -18.988   3.59 0.286 0.692 0.350 0.063     220.804     300.000       6.514    0 
+    720000        7200.00      25.770     -44.758     -18.987   3.93 0.500 0.462 0.430 0.044     233.801     300.000       6.495    0 
+    730000        7300.00      24.483     -43.469     -18.986   4.12 0.357 0.706 0.390 0.058     222.120     300.000       6.493    0 
+    740000        7400.00      29.938     -48.928     -18.990   3.33 0.429 0.571 0.390 0.065     271.611     300.000       6.578    0 
+    750000        7500.00      28.834     -47.822     -18.988   4.02 0.571 0.500 0.372 0.051     261.596     300.000       6.278    0 
+    760000        7600.00      33.715     -52.702     -18.988   3.96 0.357 0.667 0.436 0.058     305.878     300.000       6.466    0 
+    770000        7700.00      27.278     -46.265     -18.987   3.91 0.500 0.588 0.332 0.064     247.483     300.000       6.330    0 
+    780000        7800.00      29.247     -48.236     -18.988   3.29 0.357 0.615 0.364 0.059     265.346     300.000       6.863    0 
+    790000        7900.00      30.755     -49.743     -18.988   3.80 0.357 0.643 0.435 0.087     279.022     300.000       7.020    0 
+    800000        8000.00      24.521     -43.510     -18.989   3.80 0.286 0.733 0.382 0.113     222.464     300.000       6.854    0 
+    810000        8100.00      30.340     -49.329     -18.989   3.67 0.500 0.533 0.345 0.121     275.261     300.000       6.543    0 
+    820000        8200.00      30.208     -49.195     -18.988   3.93 0.429 0.667 0.409 0.064     274.060     300.000       6.356    0 
+    830000        8300.00      30.511     -49.498     -18.987   3.98 0.429 0.700 0.420 0.044     276.811     300.000       6.188    0 
+    840000        8400.00      27.446     -46.433     -18.987   4.19 0.429 0.600 0.433 0.053     249.003     300.000       6.367    0 
+    850000        8500.00      29.747     -48.734     -18.988   3.82 0.357 0.667 0.406 0.065     269.878     300.000       6.410    0 
+    860000        8600.00      32.395     -51.384     -18.988   3.75 0.429 0.625 0.381 0.100     293.908     300.000       6.498    0 
+    870000        8700.00      28.690     -47.677     -18.987   3.66 0.500 0.364 0.306 0.057     260.287     300.000       6.735    0 
+    880000        8800.00      28.624     -47.614     -18.990   3.87 0.429 0.571 0.399 0.064     259.693     300.000       6.327    0 
+    890000        8900.00      25.580     -44.568     -18.987   3.72 0.214 0.769 0.388 0.049     232.077     300.000       6.464    0 
+    900000        9000.00      30.933     -49.922     -18.988   3.83 0.357 0.688 0.403 0.084     280.644     300.000       6.318    0 
+    910000        9100.00      28.867     -47.854     -18.987   3.25 0.357 0.643 0.393 0.072     261.895     300.000       6.584    0 
+    920000        9200.00      28.451     -47.439     -18.987   3.34 0.286 0.636 0.351 0.033     258.127     300.000       6.717    0 
+    930000        9300.00      30.241     -49.229     -18.988   3.54 0.500 0.632 0.380 0.061     274.364     300.000       6.581    0 
+    940000        9400.00      33.438     -52.426     -18.988   3.40 0.286 0.750 0.355 0.059     303.364     300.000       6.412    0 
+    950000        9500.00      30.857     -49.845     -18.988   3.29 0.571 0.500 0.398 0.051     279.954     300.000       6.254    0 
+    960000        9600.00      30.331     -49.319     -18.988   3.15 0.429 0.571 0.289 0.074     275.183     300.000       6.533    0 
+    970000        9700.00      32.436     -51.424     -18.988   3.37 0.357 0.643 0.344 0.049     294.275     300.000       6.502    0 
+    980000        9800.00      28.039     -47.026     -18.987   3.36 0.429 0.647 0.350 0.078     254.382     300.000       6.698    0 
+    990000        9900.00      28.030     -47.018     -18.987   2.59 0.500 0.588 0.345 0.060     254.304     300.000       6.761    0 
+   1000000       10000.00      27.318     -46.305     -18.986   3.72 0.357 0.643 0.305 0.067     247.846     300.000       6.361    0 
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB001.stat b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB001.stat
index 3f82c08..fc6e0b2 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB001.stat
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB001.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.038     662.810     692.847   0.00 1.000 0.000 0.308 8.660     272.518     300.000       7.001    1 
-     10000         100.00     466.512     226.032     692.544   7.15 0.071 0.000 0.136 0.672    4232.441     300.000      10.954    1 
-     20000         200.00     406.252     286.221     692.474   8.74 0.071 0.000 0.136 0.201    3685.731     300.000      12.427    1 
-     30000         300.00     444.728     247.149     691.876   5.27 0.071 0.750 0.409 0.316    4034.798     300.000       7.564    1 
-     40000         400.00     447.361     244.315     691.676  10.30 0.000 1.000 0.227 0.417    4058.686     300.000      12.936    1 
-     50000         500.00     429.236     263.122     692.358   4.65 0.071 0.667 0.470 0.182    3894.252     300.000       8.078    1 
-     60000         600.00     475.755     216.632     692.387   7.72 0.000   NaN   NaN 0.393    4316.299     300.000      11.034    1 
-     70000         700.00     440.613     252.120     692.733   7.32 0.000   NaN   NaN 0.237    3997.466     300.000       8.963    1 
-     80000         800.00     458.868     232.322     691.190   6.37 0.000 1.000 0.159 0.460    4163.088     300.000      11.245    1 
-     90000         900.00     421.219     272.166     693.385   5.64 0.071 0.500 0.136 0.373    3821.514     300.000       9.809    1 
-    100000        1000.00     415.893     278.244     694.137   6.57 0.143 0.000 0.159 0.178    3773.195     300.000       9.620    1 
-    110000        1100.00     372.266     321.817     694.083   5.25 0.071 0.667 0.152 0.300    3377.386     300.000       9.639    1 
-    120000        1200.00     385.935     306.487     692.422   8.17 0.000 1.000 0.136 0.441    3501.401     300.000      11.285    1 
-    130000        1300.00     473.794     216.664     690.457   7.80 0.000 1.000 0.182 0.356    4298.503     300.000      11.131    1 
-    140000        1400.00     378.669     312.558     691.227   6.46 0.071 0.667 0.227 0.334    3435.481     300.000       9.066    1 
-    150000        1500.00     442.528     247.996     690.524   7.79 0.000   NaN   NaN 0.144    4014.843     300.000      11.873    1 
-    160000        1600.00     456.147     234.521     690.668   7.30 0.071 0.500 0.159 0.180    4138.400     300.000      10.046    1 
-    170000        1700.00     479.444     210.488     689.931   6.94 0.000 1.000 0.364 0.396    4349.761     300.000       9.663    1 
-    180000        1800.00     472.295     217.942     690.236   7.89 0.214 0.625 0.188 0.257    4284.900     300.000      10.446    1 
-    190000        1900.00     385.441     305.653     691.094   5.95 0.000   NaN   NaN 0.163    3496.923     300.000       9.555    1 
-    200000        2000.00     416.661     274.952     691.613   7.03 0.071 0.500 0.136 0.274    3780.165     300.000       8.750    1 
-    210000        2100.00     436.338     256.446     692.783   8.18 0.000 1.000 0.136 0.384    3958.681     300.000      11.222    1 
-    220000        2200.00     365.799     326.015     691.815   7.29 0.071 0.500 0.182 0.158    3318.721     300.000       9.952    1 
-    230000        2300.00     452.123     239.767     691.891   7.46 0.000   NaN   NaN 0.378    4101.898     300.000      11.388    1 
-    240000        2400.00     510.797     181.399     692.196   6.80 0.071 0.000 0.136 0.267    4634.214     300.000       8.943    1 
-    250000        2500.00     414.698     277.369     692.068   6.33 0.000   NaN   NaN 0.241    3762.358     300.000      10.243    1 
-    260000        2600.00     453.293     237.250     690.542   6.98 0.000   NaN   NaN 0.356    4112.506     300.000      11.858    1 
-    270000        2700.00     407.661     282.810     690.471   7.35 0.000 1.000 0.136 0.181    3698.507     300.000      10.190    1 
-    280000        2800.00     413.592     276.560     690.152  10.18 0.000 1.000 0.136 0.512    3752.321     300.000      12.619    1 
-    290000        2900.00     431.232     259.637     690.869   6.97 0.000   NaN   NaN 0.162    3912.362     300.000      11.585    1 
-    300000        3000.00     471.419     214.327     685.746   7.24 0.000   NaN   NaN 0.309    4276.954     300.000       9.904    1 
-    310000        3100.00     471.928     214.217     686.144   4.62 0.000   NaN   NaN 0.171    4281.571     300.000       9.292    1 
-    320000        3200.00     465.761     220.234     685.995   5.97 0.000 1.000 0.159 0.202    4225.622     300.000       9.863    1 
-    330000        3300.00     447.637     239.829     687.466   8.12 0.000   NaN   NaN 0.330    4061.192     300.000      10.973    1 
-    340000        3400.00     453.770     233.602     687.372   6.94 0.000 1.000 0.136 0.635    4116.834     300.000      10.748    1 
-    350000        3500.00     482.130     205.367     687.497   8.33 0.071 0.750 0.159 0.276    4374.135     300.000      11.031    1 
-    360000        3600.00     440.056     247.331     687.387   7.30 0.071 0.500 0.136 0.509    3992.414     300.000      10.442    1 
-    370000        3700.00     437.407     249.832     687.240   7.50 0.000   NaN   NaN 0.171    3968.386     300.000      10.923    1 
-    380000        3800.00     384.085     303.199     687.283   9.62 0.000 1.000 0.136 0.202    3484.613     300.000      12.602    1 
-    390000        3900.00     436.203     252.781     688.984   7.44 0.143 0.500 0.170 0.301    3957.460     300.000      11.264    1 
-    400000        4000.00     495.450     193.547     688.997   7.63 0.000 1.000 0.136 0.298    4494.976     300.000      10.714    1 
-    410000        4100.00     524.478     164.876     689.355   7.34 0.071 0.500 0.159 0.256    4758.340     300.000      10.607    1 
-    420000        4200.00     418.485     270.582     689.067   8.96 0.000 1.000 0.136 0.180    3796.714     300.000      13.275    1 
-    430000        4300.00     409.866     278.868     688.735   8.33 0.000   NaN   NaN 0.171    3718.520     300.000      10.884    1 
-    440000        4400.00     507.684     181.300     688.983   9.71 0.000   NaN   NaN 0.393    4605.969     300.000      13.553    1 
-    450000        4500.00     462.226     226.548     688.774   6.73 0.000   NaN   NaN 0.389    4193.556     300.000      10.433    1 
-    460000        4600.00     460.206     231.296     691.502   9.46 0.000 1.000 0.182 0.440    4175.226     300.000      12.532    1 
-    470000        4700.00     421.515     268.611     690.126   9.24 0.000 1.000 0.136 0.156    3824.198     300.000      11.256    1 
-    480000        4800.00     508.682     180.398     689.080  11.45 0.000   NaN   NaN 0.269    4615.029     300.000      14.582    1 
-    490000        4900.00     468.141     220.841     688.982   9.05 0.000   NaN   NaN 0.285    4247.215     300.000      12.043    1 
-    500000        5000.00     463.968     224.990     688.958   7.85 0.071 0.667 0.136 0.373    4209.361     300.000      10.798    1 
-    510000        5100.00     431.463     258.121     689.584  12.35 0.071 0.000 0.136 0.204    3914.454     300.000      15.438    1 
-    520000        5200.00     534.381     154.071     688.452   6.01 0.071 0.667 0.152 0.215    4848.177     300.000       9.943    1 
-    530000        5300.00     472.594     213.317     685.911   6.92 0.000 1.000 0.227 0.291    4287.613     300.000      10.666    1 
-    540000        5400.00     456.773     229.866     686.639   9.08 0.000   NaN   NaN 0.174    4144.084     300.000      11.759    1 
-    550000        5500.00     411.067     275.417     686.484  11.75 0.000   NaN   NaN 0.399    3729.415     300.000      15.308    1 
-    560000        5600.00     500.975     185.857     686.832   8.93 0.000 1.000 0.136 0.203    4545.105     300.000      11.662    1 
-    570000        5700.00     492.548     193.914     686.462  10.04 0.000 1.000 0.136 0.226    4468.649     300.000      13.703    1 
-    580000        5800.00     505.373     181.776     687.149   7.08 0.000 1.000 0.303 0.361    4585.003     300.000       9.856    1 
-    590000        5900.00     489.410     197.627     687.037   9.79 0.000   NaN   NaN 0.311    4440.179     300.000      13.138    1 
-    600000        6000.00     416.724     270.328     687.052   8.83 0.071 0.500 0.136 0.205    3780.738     300.000      12.504    1 
-    610000        6100.00     447.472     235.815     683.287   9.22 0.000 1.000 0.152 0.330    4059.696     300.000      13.095    1 
-    620000        6200.00     483.937     199.042     682.979   8.22 0.000 1.000 0.195 0.270    4390.530     300.000      11.206    1 
-    630000        6300.00     409.746     276.279     686.025   7.27 0.000 1.000 0.182 0.186    3717.429     300.000      10.686    1 
-    640000        6400.00     430.837     254.388     685.225  10.55 0.000   NaN   NaN 0.225    3908.780     300.000      12.963    1 
-    650000        6500.00     397.078     288.955     686.033   5.72 0.000 1.000 0.477 0.321    3602.492     300.000       8.636    1 
-    660000        6600.00     434.828     251.214     686.042   7.79 0.000 1.000 0.197 0.283    3944.986     300.000      10.122    1 
-    670000        6700.00     407.789     277.271     685.060   9.32 0.000 1.000 0.136 0.170    3699.674     300.000      11.970    1 
-    680000        6800.00     443.109     241.977     685.086   5.29 0.000 1.000 0.295 0.304    4020.114     300.000       8.922    1 
-    690000        6900.00     455.400     230.170     685.569  10.35 0.071 0.500 0.159 0.251    4131.620     300.000      13.886    1 
-    700000        7000.00     412.310     273.347     685.657   6.03 0.000 1.000 0.292 0.230    3740.691     300.000       8.323    1 
-    710000        7100.00     430.812     254.365     685.176  10.47 0.071 0.000 0.136 0.401    3908.546     300.000      14.506    1 
-    720000        7200.00     396.350     291.053     687.403   5.26 0.000 1.000 0.167 0.255    3595.892     300.000       9.051    1 
-    730000        7300.00     368.686     318.982     687.668   6.52 0.000   NaN   NaN 0.124    3344.906     300.000      10.884    1 
-    740000        7400.00     487.794     199.976     687.771   7.41 0.000 1.000 0.136 0.236    4425.523     300.000      12.317    1 
-    750000        7500.00     411.582     275.505     687.088   6.38 0.071 0.667 0.394 0.164    3734.089     300.000       8.061    1 
-    760000        7600.00     428.901     258.550     687.451  10.85 0.000 1.000 0.182 0.214    3891.214     300.000      14.149    1 
-    770000        7700.00     407.540     279.868     687.408   5.49 0.000 1.000 0.159 0.203    3697.411     300.000       9.459    1 
-    780000        7800.00     452.045     235.838     687.883   8.54 0.000   NaN   NaN 0.352    4101.188     300.000      11.770    1 
-    790000        7900.00     437.708     249.762     687.470   8.15 0.000   NaN   NaN 0.408    3971.110     300.000      12.167    1 
-    800000        8000.00     427.104     259.539     686.643   8.77 0.000 1.000 0.182 0.134    3874.910     300.000      12.431    1 
-    810000        8100.00     483.651     203.371     687.022   5.78 0.071 0.000 0.136 0.150    4387.934     300.000       8.840    1 
-    820000        8200.00     372.085     314.820     686.905   6.85 0.143 0.333 0.136 0.107    3375.747     300.000      10.282    1 
-    830000        8300.00     412.309     277.155     689.464   7.06 0.000   NaN   NaN 0.248    3740.678     300.000      11.371    1 
-    840000        8400.00     508.577     180.656     689.233   5.19 0.071 0.500 0.159 0.276    4614.073     300.000       9.740    1 
-    850000        8500.00     463.797     225.543     689.341   8.10 0.000   NaN   NaN 0.201    4207.809     300.000      11.700    1 
-    860000        8600.00     474.891     214.481     689.371   7.46 0.071 0.500 0.205 0.288    4308.454     300.000       9.746    1 
-    870000        8700.00     438.886     250.674     689.560   9.08 0.000   NaN   NaN 0.394    3981.801     300.000      13.243    1 
-    880000        8800.00     457.010     231.454     688.464   7.22 0.000   NaN   NaN 0.346    4146.228     300.000      10.745    1 
-    890000        8900.00     436.965     251.202     688.167   5.15 0.000 1.000 0.227 0.200    3964.372     300.000       9.356    1 
-    900000        9000.00     424.617     262.672     687.289  12.20 0.000   NaN   NaN 0.244    3852.344     300.000      15.601    1 
-    910000        9100.00     507.871     180.092     687.962   5.98 0.000   NaN   NaN 0.225    4607.665     300.000       9.396    1 
-    920000        9200.00     367.836     321.618     689.455   4.82 0.000 1.000 0.182 0.223    3337.200     300.000       8.666    1 
-    930000        9300.00     491.978     197.016     688.994   7.21 0.000   NaN   NaN 0.226    4463.479     300.000       9.786    1 
-    940000        9400.00     476.658     213.428     690.086   5.79 0.000 1.000 0.136 0.424    4324.491     300.000      10.523    1 
-    950000        9500.00     389.488     302.889     692.377   6.24 0.000 1.000 0.136 0.132    3533.635     300.000      11.018    1 
-    960000        9600.00     495.874     197.057     692.931   7.29 0.071 0.667 0.152 0.343    4498.829     300.000      10.396    1 
-    970000        9700.00     412.541     280.519     693.060   6.18 0.000   NaN   NaN 0.249    3742.788     300.000      11.259    1 
-    980000        9800.00     419.031     285.992     705.023   8.90 0.000 1.000 0.227 0.336    3801.666     300.000      10.550    1 
-    990000        9900.00     484.752     220.133     704.886   4.64 0.000 1.000 0.242 0.274    4397.924     300.000       8.344    1 
-   1000000       10000.00     450.224     253.920     704.144   9.46 0.000 1.000 0.167 0.224    4084.666     300.000      11.449    1 
+         0           0.00      30.478     -51.451     -20.973   2.26 0.786 0.476 0.357 0.199     276.511     300.000       6.690    1 
+     10000         100.00      27.582     -48.552     -20.970   1.91 0.571 0.529 0.342 0.046     250.234     300.000       6.737    1 
+     20000         200.00      25.107     -46.077     -20.970   1.84 0.643 0.471 0.297 0.041     227.785     300.000       6.670    1 
+     30000         300.00      29.623     -50.595     -20.972   1.83 0.571 0.556 0.331 0.067     268.754     300.000       6.729    1 
+     40000         400.00      26.592     -47.562     -20.971   2.52 0.357 0.667 0.258 0.082     241.254     300.000       6.710    1 
+     50000         500.00      26.817     -47.788     -20.971   1.96 0.643 0.400 0.270 0.105     243.294     300.000       6.780    1 
+     60000         600.00      28.503     -49.476     -20.972   2.35 0.571 0.467 0.264 0.054     258.596     300.000       6.696    1 
+     70000         700.00      27.608     -48.581     -20.973   1.95 0.500 0.500 0.357 0.082     250.472     300.000       6.878    1 
+     80000         800.00      25.865     -46.835     -20.970   1.92 0.643 0.500 0.290 0.093     234.661     300.000       6.826    1 
+     90000         900.00      26.061     -47.032     -20.971   1.87 0.500 0.500 0.334 0.036     236.437     300.000       6.776    1 
+    100000        1000.00      27.653     -48.625     -20.971   2.29 0.429 0.667 0.323 0.043     250.886     300.000       6.653    1 
+    110000        1100.00      26.575     -47.547     -20.973   2.20 0.357 0.643 0.282 0.091     241.099     300.000       6.809    1 
+    120000        1200.00      25.889     -46.862     -20.973   3.41 0.357 0.545 0.219 0.067     234.875     300.000       7.030    1 
+    130000        1300.00      28.783     -49.755     -20.972   2.70 0.429 0.625 0.278 0.065     261.132     300.000       6.687    1 
+    140000        1400.00      23.841     -44.813     -20.973   2.93 0.429 0.571 0.211 0.053     216.296     300.000       6.939    1 
+    150000        1500.00      26.285     -47.257     -20.972   2.47 0.500 0.417 0.273 0.041     238.467     300.000       6.730    1 
+    160000        1600.00      25.783     -46.754     -20.971   2.21 0.357 0.545 0.227 0.040     233.914     300.000       6.931    1 
+    170000        1700.00      24.191     -45.164     -20.973   2.60 0.643 0.308 0.238 0.072     219.476     300.000       6.623    1 
+    180000        1800.00      26.442     -47.414     -20.973   2.83 0.429 0.538 0.294 0.071     239.893     300.000       6.785    1 
+    190000        1900.00      27.221     -48.193     -20.972   2.72 0.571 0.500 0.227 0.045     246.967     300.000       6.897    1 
+    200000        2000.00      27.260     -48.232     -20.973   2.32 0.357 0.615 0.255 0.073     247.313     300.000       6.968    1 
+    210000        2100.00      26.052     -47.025     -20.973   3.51 0.286 0.733 0.306 0.073     236.360     300.000       6.800    1 
+    220000        2200.00      27.807     -48.780     -20.973   3.03 0.500 0.562 0.284 0.060     252.277     300.000       6.421    1 
+    230000        2300.00      28.466     -49.440     -20.974   3.92 0.286 0.692 0.294 0.064     258.260     300.000       6.721    1 
+    240000        2400.00      24.137     -45.108     -20.972   2.77 0.500 0.611 0.338 0.034     218.981     300.000       6.690    1 
+    250000        2500.00      29.160     -50.132     -20.972   2.31 0.429 0.600 0.324 0.057     264.557     300.000       6.602    1 
+    260000        2600.00      25.190     -46.162     -20.972   3.06 0.571 0.429 0.308 0.076     228.536     300.000       6.503    1 
+    270000        2700.00      25.843     -46.816     -20.973   3.32 0.500 0.533 0.294 0.060     234.463     300.000       6.728    1 
+    280000        2800.00      27.645     -48.618     -20.973   3.76 0.500 0.611 0.348 0.125     250.806     300.000       6.631    1 
+    290000        2900.00      25.783     -46.755     -20.972   3.83 0.429 0.500 0.284 0.045     233.921     300.000       7.001    1 
+    300000        3000.00      25.108     -46.079     -20.971   2.92 0.429 0.538 0.301 0.032     227.790     300.000       6.896    1 
+    310000        3100.00      23.218     -44.190     -20.972   2.92 0.357 0.545 0.219 0.051     210.647     300.000       6.667    1 
+    320000        3200.00      26.334     -47.307     -20.973   2.50 0.500 0.417 0.258 0.055     238.913     300.000       7.077    1 
+    330000        3300.00      30.698     -51.670     -20.972   2.87 0.429 0.571 0.295 0.053     278.509     300.000       6.681    1 
+    340000        3400.00      25.628     -46.601     -20.973   3.19 0.429 0.500 0.303 0.090     232.512     300.000       6.544    1 
+    350000        3500.00      26.624     -47.596     -20.972   3.03 0.429 0.625 0.335 0.084     241.548     300.000       6.746    1 
+    360000        3600.00      25.596     -46.568     -20.972   2.83 0.429 0.538 0.346 0.064     232.220     300.000       6.938    1 
+    370000        3700.00      24.932     -45.904     -20.972   2.90 0.429 0.455 0.207 0.067     226.197     300.000       7.296    1 
+    380000        3800.00      26.752     -47.725     -20.973   4.29 0.357 0.643 0.412 0.059     242.707     300.000       6.878    1 
+    390000        3900.00      26.994     -47.966     -20.971   3.13 0.357 0.615 0.297 0.083     244.907     300.000       6.957    1 
+    400000        4000.00      28.432     -49.406     -20.974   3.31 0.357 0.667 0.345 0.069     257.946     300.000       6.964    1 
+    410000        4100.00      28.388     -49.362     -20.974   3.20 0.357 0.688 0.310 0.048     257.551     300.000       6.623    1 
+    420000        4200.00      21.451     -42.424     -20.972   2.89 0.429 0.647 0.299 0.053     194.617     300.000       6.679    1 
+    430000        4300.00      31.712     -52.687     -20.975   2.30 0.429 0.600 0.264 0.040     287.712     300.000       6.912    1 
+    440000        4400.00      25.304     -46.276     -20.972   2.87 0.429 0.600 0.327 0.056     229.573     300.000       6.855    1 
+    450000        4500.00      28.301     -49.273     -20.972   2.64 0.357 0.688 0.304 0.063     256.759     300.000       6.816    1 
+    460000        4600.00      30.300     -51.273     -20.973   2.94 0.571 0.556 0.275 0.046     274.897     300.000       6.891    1 
+    470000        4700.00      26.607     -47.580     -20.973   3.42 0.357 0.583 0.330 0.044     241.394     300.000       6.772    1 
+    480000        4800.00      28.917     -49.890     -20.973   3.20 0.429 0.625 0.324 0.130     262.347     300.000       6.873    1 
+    490000        4900.00      31.378     -52.351     -20.973   2.96 0.500 0.500 0.347 0.061     284.682     300.000       6.814    1 
+    500000        5000.00      31.195     -52.167     -20.973   3.62 0.357 0.667 0.303 0.094     283.013     300.000       6.896    1 
+    510000        5100.00      22.911     -43.885     -20.973   2.45 0.500 0.562 0.241 0.055     207.864     300.000       6.924    1 
+    520000        5200.00      23.460     -44.432     -20.972   2.35 0.500 0.500 0.286 0.056     212.839     300.000       6.649    1 
+    530000        5300.00      24.392     -45.365     -20.973   2.93 0.500 0.533 0.285 0.074     221.297     300.000       6.690    1 
+    540000        5400.00      19.704     -40.676     -20.971   2.19 0.571 0.467 0.370 0.054     178.769     300.000       6.623    1 
+    550000        5500.00      29.184     -50.157     -20.973   2.19 0.500 0.533 0.345 0.062     264.771     300.000       6.590    1 
+    560000        5600.00      24.420     -45.392     -20.972   2.52 0.571 0.385 0.255 0.061     221.549     300.000       6.682    1 
+    570000        5700.00      25.683     -46.656     -20.973   2.69 0.429 0.647 0.230 0.082     233.007     300.000       6.821    1 
+    580000        5800.00      26.756     -47.728     -20.973   3.28 0.286 0.667 0.280 0.031     242.741     300.000       6.777    1 
+    590000        5900.00      21.361     -42.335     -20.974   1.80 0.500 0.500 0.295 0.068     193.799     300.000       7.231    1 
+    600000        6000.00      31.864     -52.838     -20.974   2.32 0.500 0.500 0.269 0.038     289.088     300.000       6.783    1 
+    610000        6100.00      25.847     -46.818     -20.971   2.61 0.357 0.583 0.231 0.056     234.496     300.000       6.900    1 
+    620000        6200.00      27.265     -48.237     -20.972   3.09 0.286 0.714 0.250 0.036     247.359     300.000       6.708    1 
+    630000        6300.00      30.363     -51.335     -20.972   2.79 0.429 0.667 0.303 0.050     275.469     300.000       6.648    1 
+    640000        6400.00      29.100     -50.071     -20.971   3.12 0.429 0.667 0.295 0.069     264.012     300.000       6.502    1 
+    650000        6500.00      28.111     -49.085     -20.975   2.77 0.571 0.529 0.291 0.068     255.034     300.000       6.482    1 
+    660000        6600.00      24.733     -45.706     -20.973   2.09 0.500 0.611 0.303 0.093     224.387     300.000       6.569    1 
+    670000        6700.00      33.413     -54.387     -20.974   2.59 0.429 0.667 0.308 0.090     303.144     300.000       6.597    1 
+    680000        6800.00      26.618     -47.590     -20.972   1.96 0.429 0.600 0.279 0.053     241.491     300.000       6.632    1 
+    690000        6900.00      26.910     -47.883     -20.973   2.27 0.571 0.579 0.244 0.063     244.140     300.000       6.716    1 
+    700000        7000.00      27.716     -48.691     -20.974   2.80 0.429 0.667 0.298 0.063     251.457     300.000       6.754    1 
+    710000        7100.00      28.394     -49.367     -20.973   3.55 0.357 0.688 0.273 0.064     257.603     300.000       6.613    1 
+    720000        7200.00      24.613     -45.586     -20.974   3.38 0.571 0.529 0.270 0.062     223.298     300.000       6.565    1 
+    730000        7300.00      24.892     -45.866     -20.974   2.18 0.429 0.400 0.273 0.066     225.829     300.000       7.065    1 
+    740000        7400.00      28.340     -49.313     -20.972   2.00 0.571 0.385 0.301 0.074     257.117     300.000       6.709    1 
+    750000        7500.00      25.543     -46.516     -20.973   1.96 0.500 0.500 0.299 0.041     231.742     300.000       6.776    1 
+    760000        7600.00      23.483     -44.456     -20.973   1.72 0.571 0.429 0.357 0.039     213.051     300.000       6.840    1 
+    770000        7700.00      31.471     -52.445     -20.974   2.95 0.571 0.529 0.281 0.080     285.523     300.000       6.642    1 
+    780000        7800.00      26.251     -47.223     -20.973   2.95 0.429 0.571 0.302 0.040     238.162     300.000       6.600    1 
+    790000        7900.00      29.729     -50.702     -20.973   2.86 0.571 0.556 0.318 0.070     269.719     300.000       6.638    1 
+    800000        8000.00      27.410     -48.383     -20.973   2.95 0.429 0.571 0.282 0.060     248.675     300.000       6.747    1 
+    810000        8100.00      25.399     -46.372     -20.972   2.14 0.357 0.545 0.215 0.042     230.434     300.000       6.962    1 
+    820000        8200.00      29.304     -50.278     -20.973   2.03 0.500 0.500 0.308 0.046     265.863     300.000       7.037    1 
+    830000        8300.00      30.582     -51.556     -20.974   2.22 0.500 0.562 0.341 0.037     277.455     300.000       6.684    1 
+    840000        8400.00      30.359     -51.333     -20.973   2.79 0.500 0.364 0.231 0.060     275.435     300.000       7.037    1 
+    850000        8500.00      28.656     -49.628     -20.972   3.40 0.286 0.667 0.337 0.044     259.984     300.000       6.749    1 
+    860000        8600.00      29.156     -50.128     -20.973   2.95 0.429 0.500 0.311 0.043     264.514     300.000       6.786    1 
+    870000        8700.00      27.702     -48.676     -20.974   3.02 0.429 0.500 0.208 0.089     251.324     300.000       7.016    1 
+    880000        8800.00      23.428     -44.400     -20.972   3.23 0.357 0.444 0.338 0.055     212.550     300.000       6.936    1 
+    890000        8900.00      32.995     -53.969     -20.974   3.07 0.357 0.545 0.236 0.074     299.351     300.000       6.787    1 
+    900000        9000.00      25.616     -46.587     -20.972   3.12 0.286 0.500 0.324 0.070     232.400     300.000       6.781    1 
+    910000        9100.00      28.924     -49.899     -20.974   3.01 0.500 0.562 0.364 0.053     262.417     300.000       6.621    1 
+    920000        9200.00      24.404     -45.377     -20.973   3.20 0.643 0.500 0.323 0.108     221.406     300.000       6.657    1 
+    930000        9300.00      31.817     -52.792     -20.975   3.36 0.357 0.643 0.360 0.052     288.659     300.000       6.663    1 
+    940000        9400.00      23.396     -44.369     -20.973   3.36 0.357 0.615 0.385 0.051     212.260     300.000       6.776    1 
+    950000        9500.00      28.781     -49.755     -20.974   3.50 0.286 0.636 0.450 0.081     261.119     300.000       6.623    1 
+    960000        9600.00      31.050     -52.026     -20.975   3.58 0.500 0.588 0.414 0.069     281.705     300.000       6.473    1 
+    970000        9700.00      23.366     -44.339     -20.973   3.56 0.357 0.583 0.420 0.045     211.987     300.000       7.401    1 
+    980000        9800.00      24.018     -44.993     -20.974   4.44 0.286 0.556 0.338 0.102     217.906     300.000       7.105    1 
+    990000        9900.00      26.171     -47.145     -20.974   4.26 0.286 0.636 0.351 0.054     237.441     300.000       6.860    1 
+   1000000       10000.00      28.944     -49.918     -20.974   4.07 0.286 0.667 0.432 0.061     262.595     300.000       7.059    1 
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB002.stat b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB002.stat
index 747095c..2c9a107 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB002.stat
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB002.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.415     662.810     696.224   0.00 1.000 0.000 0.308 8.660     303.155     300.000       7.001    2 
-     10000         100.00     517.481     175.809     693.290   7.10 0.071 0.000 0.136 0.222    4694.855     300.000      10.972    2 
-     20000         200.00     463.656     230.068     693.725   8.72 0.000 1.000 0.136 0.412    4206.528     300.000      12.538    2 
-     30000         300.00     443.539     250.302     693.841   6.98 0.000   NaN   NaN 0.240    4024.013     300.000      10.375    2 
-     40000         400.00     441.988     251.490     693.477   6.60 0.000 1.000 0.182 0.163    4009.939     300.000      11.206    2 
-     50000         500.00     453.436     238.275     691.711   6.14 0.000 1.000 0.197 0.273    4113.805     300.000      10.045    2 
-     60000         600.00     380.952     310.640     691.592   6.41 0.000 1.000 0.318 0.245    3456.194     300.000       9.357    2 
-     70000         700.00     402.776     287.864     690.639   9.52 0.071 0.000 0.136 0.357    3654.188     300.000      12.499    2 
-     80000         800.00     411.701     278.006     689.707   6.14 0.000 1.000 0.500 0.142    3735.160     300.000       8.438    2 
-     90000         900.00     395.588     294.054     689.642   7.77 0.000   NaN   NaN 0.291    3588.980     300.000      12.236    2 
-    100000        1000.00     414.347     275.389     689.736   7.50 0.000 1.000 0.159 0.307    3759.171     300.000      11.755    2 
-    110000        1100.00     410.399     279.513     689.912   4.87 0.071 0.800 0.236 0.374    3723.353     300.000       8.126    2 
-    120000        1200.00     455.364     233.891     689.255   9.48 0.000 1.000 0.197 0.199    4131.301     300.000      11.234    2 
-    130000        1300.00     497.037     192.602     689.639  10.14 0.000   NaN   NaN 0.399    4509.377     300.000      13.132    2 
-    140000        1400.00     437.125     253.935     691.060   5.36 0.000 1.000 0.182 0.233    3965.822     300.000       9.154    2 
-    150000        1500.00     409.345     284.247     693.592   6.21 0.000 1.000 0.136 0.294    3713.791     300.000      10.116    2 
-    160000        1600.00     476.827     217.312     694.139   6.34 0.000   NaN   NaN 0.409    4326.024     300.000       8.260    2 
-    170000        1700.00     471.114     222.158     693.272   9.21 0.071 0.000 0.136 0.314    4274.190     300.000      11.431    2 
-    180000        1800.00     414.132     279.442     693.574   5.54 0.071 0.667 0.273 0.294    3757.217     300.000       8.525    2 
-    190000        1900.00     497.279     196.062     693.341   7.81 0.071 0.889 0.222 0.351    4511.573     300.000      10.860    2 
-    200000        2000.00     427.999     266.455     694.453   9.80 0.000   NaN   NaN 0.461    3883.027     300.000      13.505    2 
-    210000        2100.00     496.459     198.222     694.682   6.53 0.000 1.000 0.561 0.361    4504.136     300.000       8.355    2 
-    220000        2200.00     441.564     253.275     694.839   8.39 0.000   NaN   NaN 0.429    4006.094     300.000      11.901    2 
-    230000        2300.00     454.891     239.380     694.271   6.80 0.000 1.000 0.152 0.275    4127.007     300.000      10.097    2 
-    240000        2400.00     367.566     326.702     694.268   5.16 0.000 1.000 0.136 0.182    3334.747     300.000       9.838    2 
-    250000        2500.00     440.649     254.652     695.301   5.56 0.000 1.000 0.182 0.152    3997.792     300.000       9.299    2 
-    260000        2600.00     521.835     173.382     695.217   3.75 0.071 0.667 0.364 0.216    4734.356     300.000       7.625    2 
-    270000        2700.00     381.445     313.793     695.238   6.46 0.000 1.000 0.182 0.487    3460.665     300.000      10.407    2 
-    280000        2800.00     479.259     217.180     696.439   9.06 0.000   NaN   NaN 0.395    4348.086     300.000      12.543    2 
-    290000        2900.00     452.757     243.553     696.309   7.64 0.071 0.000 0.136 0.207    4107.643     300.000      11.395    2 
-    300000        3000.00     388.213     309.718     697.931   5.68 0.000 1.000 0.136 0.185    3522.067     300.000       9.220    2 
-    310000        3100.00     430.326     267.618     697.944  10.53 0.071 0.000 0.136 0.145    3904.140     300.000      13.909    2 
-    320000        3200.00     509.149     190.888     700.037   6.01 0.000 1.000 0.239 0.227    4619.259     300.000       8.918    2 
-    330000        3300.00     442.897     257.091     699.988  10.47 0.000 1.000 0.136 0.311    4018.187     300.000      14.192    2 
-    340000        3400.00     421.797     277.739     699.536   7.05 0.000   NaN   NaN 0.235    3826.762     300.000      10.515    2 
-    350000        3500.00     428.376     272.474     700.850   5.88 0.071 0.000 0.136 0.377    3886.446     300.000       9.538    2 
-    360000        3600.00     482.113     218.271     700.383   7.66 0.000 1.000 0.318 0.363    4373.975     300.000      11.119    2 
-    370000        3700.00     383.586     317.403     700.989   6.40 0.071 0.667 0.167 0.174    3480.090     300.000       9.788    2 
-    380000        3800.00     492.341     209.043     701.385   8.68 0.000 1.000 0.136 0.201    4466.775     300.000      12.600    2 
-    390000        3900.00     371.123     328.543     699.666   6.97 0.000 1.000 0.136 0.241    3367.021     300.000       9.524    2 
-    400000        4000.00     466.307     233.875     700.182   9.80 0.071 0.000 0.136 0.347    4230.576     300.000      13.917    2 
-    410000        4100.00     464.395     235.688     700.083   5.72 0.000 1.000 0.273 0.211    4213.231     300.000      10.085    2 
-    420000        4200.00     470.174     232.098     702.272   6.06 0.000   NaN   NaN 0.264    4265.663     300.000      10.818    2 
-    430000        4300.00     400.183     304.088     704.271  10.17 0.000 1.000 0.136 0.213    3630.664     300.000      13.747    2 
-    440000        4400.00     412.226     292.152     704.378   6.08 0.000 1.000 0.250 0.342    3739.929     300.000       8.939    2 
-    450000        4500.00     438.276     266.314     704.590   5.94 0.000 1.000 0.258 0.400    3976.268     300.000       8.625    2 
-    460000        4600.00     411.660     293.438     705.098   6.67 0.000 1.000 0.136 0.217    3734.796     300.000      10.532    2 
-    470000        4700.00     483.887     231.304     715.191   4.64 0.143 0.333 0.227 0.162    4390.074     300.000       7.922    2 
-    480000        4800.00     441.842     273.587     715.429   5.59 0.071 0.500 0.159 0.215    4008.621     300.000      10.086    2 
-    490000        4900.00     365.578     354.453     720.031   8.73 0.000 1.000 0.136 0.324    3316.712     300.000       9.927    2 
-    500000        5000.00     425.476     293.877     719.352   5.46 0.000 1.000 0.242 0.250    3860.136     300.000       9.844    2 
-    510000        5100.00     409.986     309.298     719.284   4.87 0.000   NaN   NaN 0.237    3719.604     300.000       9.024    2 
-    520000        5200.00     490.921     235.439     726.360  12.88 0.071 0.000 0.136 0.516    4453.889     300.000      15.893    2 
-    530000        5300.00     494.557     231.549     726.106   7.73 0.000 1.000 0.136 0.620    4486.874     300.000      10.553    2 
-    540000        5400.00     461.087     266.083     727.170   4.23 0.000 1.000 0.341 0.427    4183.218     300.000       7.990    2 
-    550000        5500.00     423.107     301.464     724.571  10.03 0.000   NaN   NaN 0.355    3838.645     300.000      14.144    2 
-    560000        5600.00     485.329     239.331     724.660   7.82 0.071 0.833 0.189 0.167    4403.152     300.000       9.499    2 
-    570000        5700.00     480.992     245.436     726.428   8.34 0.071 0.500 0.136 0.162    4363.811     300.000      11.194    2 
-    580000        5800.00     524.135     202.596     726.731   8.66 0.000 1.000 0.227 0.220    4755.226     300.000      10.934    2 
-    590000        5900.00     477.089     249.560     726.649   8.96 0.000 1.000 0.136 0.227    4328.399     300.000      13.600    2 
-    600000        6000.00     486.700     240.743     727.444   4.73 0.000 1.000 0.409 0.260    4415.596     300.000       8.885    2 
-    610000        6100.00     541.275     185.435     726.710   9.04 0.214 0.250 0.136 0.391    4910.724     300.000      12.926    2 
-    620000        6200.00     526.973     198.122     725.095   7.60 0.000 1.000 0.273 0.201    4780.975     300.000      10.034    2 
-    630000        6300.00     474.827     249.748     724.575   5.94 0.000 1.000 0.136 0.178    4307.880     300.000       8.870    2 
-    640000        6400.00     472.120     256.776     728.896   9.80 0.000   NaN   NaN 0.247    4283.313     300.000      11.863    2 
-    650000        6500.00     451.358     278.635     729.993   6.98 0.071 0.800 0.264 0.295    4094.955     300.000       8.254    2 
-    660000        6600.00     483.591     246.230     729.821   9.53 0.000 1.000 0.136 0.256    4387.388     300.000      12.547    2 
-    670000        6700.00     472.235     257.876     730.110   6.78 0.000 1.000 0.136 0.328    4284.357     300.000      11.397    2 
-    680000        6800.00     486.847     242.810     729.658   7.81 0.000   NaN   NaN 0.216    4416.930     300.000      11.983    2 
-    690000        6900.00     474.929     254.308     729.236   9.16 0.000 1.000 0.318 0.251    4308.798     300.000      11.731    2 
-    700000        7000.00     448.902     280.257     729.159   6.12 0.071 0.750 0.273 0.298    4072.669     300.000       8.428    2 
-    710000        7100.00     434.289     294.580     728.869  12.25 0.000   NaN   NaN 0.221    3940.095     300.000      15.806    2 
-    720000        7200.00     443.381     282.197     725.578   4.26 0.071 0.500 0.159 0.173    4022.578     300.000       8.692    2 
-    730000        7300.00     467.452     258.086     725.538   6.92 0.000   NaN   NaN 0.375    4240.962     300.000      11.729    2 
-    740000        7400.00     465.022     260.699     725.721   8.49 0.000 1.000 0.136 0.186    4218.920     300.000      11.623    2 
-    750000        7500.00     435.658     289.738     725.396   7.66 0.071 0.667 0.152 0.158    3952.515     300.000       8.896    2 
-    760000        7600.00     498.491     227.330     725.821   9.43 0.000 1.000 0.227 0.141    4522.569     300.000      12.139    2 
-    770000        7700.00     412.894     312.908     725.802   7.11 0.000 1.000 0.227 0.408    3745.984     300.000       9.391    2 
-    780000        7800.00     513.138     217.434     730.572   5.74 0.071 0.000 0.136 0.313    4655.452     300.000      11.032    2 
-    790000        7900.00     463.701     263.988     727.689   5.99 0.000   NaN   NaN 0.192    4206.937     300.000       9.937    2 
-    800000        8000.00     478.982     251.612     730.595   8.87 0.071 0.000 0.136 0.389    4345.575     300.000      11.933    2 
-    810000        8100.00     397.383     333.172     730.555   5.64 0.071 0.857 0.234 0.128    3605.268     300.000       9.442    2 
-    820000        8200.00     479.103     252.695     731.798   7.77 0.000 1.000 0.136 0.298    4346.670     300.000      12.057    2 
-    830000        8300.00     442.254     289.754     732.008   7.80 0.000 1.000 0.205 0.347    4012.360     300.000      10.534    2 
-    840000        8400.00     438.938     293.127     732.066   7.69 0.000   NaN   NaN 0.201    3982.276     300.000      10.027    2 
-    850000        8500.00     434.378     298.068     732.446   6.60 0.000 1.000 0.182 0.157    3940.904     300.000      11.414    2 
-    860000        8600.00     430.199     301.793     731.992   6.15 0.000 1.000 0.330 0.381    3902.987     300.000       8.456    2 
-    870000        8700.00     460.968     271.933     732.900  11.14 0.000   NaN   NaN 0.210    4182.136     300.000      14.336    2 
-    880000        8800.00     464.346     268.529     732.876   6.90 0.071 0.500 0.136 0.126    4212.791     300.000      11.277    2 
-    890000        8900.00     504.842     227.919     732.761   5.58 0.000   NaN   NaN 0.282    4580.192     300.000       9.766    2 
-    900000        9000.00     512.894     220.412     733.306   5.49 0.000   NaN   NaN 0.288    4653.242     300.000       9.553    2 
-    910000        9100.00     500.812     231.863     732.674   7.15 0.000 1.000 0.182 0.214    4543.622     300.000      10.065    2 
-    920000        9200.00     470.137     262.541     732.679   5.09 0.071 0.750 0.432 0.394    4265.328     300.000       8.347    2 
-    930000        9300.00     546.394     186.357     732.751   7.31 0.071 0.000 0.136 0.205    4957.171     300.000      11.427    2 
-    940000        9400.00     428.649     304.219     732.867   5.36 0.143 0.500 0.159 0.242    3888.925     300.000       9.510    2 
-    950000        9500.00     468.056     264.669     732.725   9.70 0.000   NaN   NaN 0.233    4246.443     300.000      13.100    2 
-    960000        9600.00     509.909     225.159     735.068   8.09 0.143 0.333 0.182 0.236    4626.159     300.000      10.874    2 
-    970000        9700.00     510.786     224.418     735.204   9.50 0.071 0.800 0.173 0.299    4634.114     300.000      12.246    2 
-    980000        9800.00     415.386     319.832     735.218   7.99 0.000 1.000 0.182 0.324    3768.594     300.000      11.169    2 
-    990000        9900.00     470.437     262.127     732.564   8.39 0.000 1.000 0.136 0.185    4268.048     300.000      11.351    2 
-   1000000       10000.00     440.067     292.799     732.866   8.41 0.000 1.000 0.136 0.259    3992.515     300.000      12.700    2 
+         0           0.00      33.787     -51.451     -17.664   2.26 0.786 0.476 0.357 0.199     306.532     300.000       6.690    2 
+     10000         100.00      28.424     -46.084     -17.661   1.97 0.571 0.429 0.312 0.061     257.873     300.000       7.035    2 
+     20000         200.00      34.099     -51.761     -17.663   2.54 0.643 0.571 0.348 0.058     309.361     300.000       6.388    2 
+     30000         300.00      28.914     -46.576     -17.662   2.63 0.357 0.615 0.290 0.046     262.321     300.000       6.636    2 
+     40000         400.00      27.493     -45.154     -17.661   2.17 0.571 0.556 0.351 0.092     249.427     300.000       6.469    2 
+     50000         500.00      25.777     -43.438     -17.661   2.34 0.500 0.588 0.278 0.043     233.864     300.000       6.553    2 
+     60000         600.00      27.390     -45.051     -17.661   2.37 0.429 0.538 0.269 0.045     248.495     300.000       6.907    2 
+     70000         700.00      26.928     -44.590     -17.661   2.44 0.500 0.222 0.197 0.107     244.307     300.000       7.191    2 
+     80000         800.00      33.474     -51.136     -17.662   2.09 0.571 0.385 0.332 0.054     303.693     300.000       6.662    2 
+     90000         900.00      31.141     -48.803     -17.662   3.72 0.286 0.750 0.389 0.047     282.525     300.000       6.365    2 
+    100000        1000.00      25.318     -42.979     -17.662   4.16 0.286 0.733 0.367 0.045     229.694     300.000       6.637    2 
+    110000        1100.00      29.527     -47.191     -17.663   3.62 0.357 0.667 0.358 0.074     267.889     300.000       6.475    2 
+    120000        1200.00      32.734     -50.397     -17.663   4.04 0.357 0.615 0.213 0.059     296.979     300.000       7.225    2 
+    130000        1300.00      27.460     -45.122     -17.662   3.46 0.286 0.667 0.307 0.055     249.134     300.000       7.206    2 
+    140000        1400.00      30.490     -48.153     -17.662   3.98 0.429 0.714 0.338 0.060     276.625     300.000       6.537    2 
+    150000        1500.00      25.246     -42.909     -17.663   3.32 0.357 0.444 0.323 0.083     229.044     300.000       6.860    2 
+    160000        1600.00      21.154     -38.815     -17.661   3.94 0.357 0.583 0.288 0.062     191.920     300.000       6.622    2 
+    170000        1700.00      26.660     -44.322     -17.662   3.66 0.357 0.706 0.305 0.048     241.870     300.000       6.331    2 
+    180000        1800.00      27.897     -45.558     -17.661   4.36 0.357 0.722 0.321 0.054     253.098     300.000       6.497    2 
+    190000        1900.00      29.099     -46.762     -17.663   3.51 0.286 0.714 0.240 0.061     264.001     300.000       6.743    2 
+    200000        2000.00      25.797     -43.458     -17.661   3.08 0.286 0.667 0.288 0.041     234.045     300.000       7.009    2 
+    210000        2100.00      27.827     -45.489     -17.662   3.82 0.286 0.556 0.283 0.060     252.463     300.000       6.846    2 
+    220000        2200.00      24.304     -41.966     -17.662   3.92 0.214 0.667 0.283 0.042     220.501     300.000       6.751    2 
+    230000        2300.00      30.105     -47.767     -17.662   4.10 0.143 0.800 0.286 0.057     273.126     300.000       6.925    2 
+    240000        2400.00      24.198     -41.860     -17.662   3.76 0.286 0.667 0.280 0.054     219.539     300.000       6.720    2 
+    250000        2500.00      25.109     -42.770     -17.661   2.54 0.286 0.714 0.292 0.080     227.798     300.000       6.925    2 
+    260000        2600.00      26.223     -43.883     -17.661   2.88 0.357 0.615 0.266 0.070     237.905     300.000       6.728    2 
+    270000        2700.00      26.372     -44.033     -17.662   3.68 0.286 0.733 0.267 0.061     239.257     300.000       6.837    2 
+    280000        2800.00      26.147     -43.811     -17.663   3.32 0.143 0.818 0.360 0.047     237.223     300.000       7.435    2 
+    290000        2900.00      28.335     -45.996     -17.662   2.52 0.357 0.583 0.330 0.028     257.066     300.000       6.791    2 
+    300000        3000.00      28.315     -45.976     -17.662   3.08 0.357 0.643 0.308 0.071     256.885     300.000       6.752    2 
+    310000        3100.00      28.776     -46.438     -17.662   3.05 0.214 0.800 0.300 0.049     261.068     300.000       6.531    2 
+    320000        3200.00      31.408     -49.069     -17.661   2.94 0.143 0.846 0.374 0.065     284.953     300.000       6.596    2 
+    330000        3300.00      29.684     -47.346     -17.662   3.43 0.214 0.750 0.284 0.059     269.310     300.000       6.797    2 
+    340000        3400.00      24.862     -42.523     -17.661   3.37 0.286 0.714 0.260 0.065     225.559     300.000       6.969    2 
+    350000        3500.00      32.297     -49.958     -17.662   3.22 0.429 0.500 0.288 0.048     293.014     300.000       7.051    2 
+    360000        3600.00      27.067     -44.728     -17.662   3.32 0.143 0.818 0.368 0.097     245.561     300.000       6.773    2 
+    370000        3700.00      31.038     -48.701     -17.663   2.82 0.429 0.571 0.244 0.065     281.590     300.000       6.854    2 
+    380000        3800.00      33.426     -51.088     -17.662   3.74 0.357 0.762 0.383 0.067     303.254     300.000       6.443    2 
+    390000        3900.00      24.068     -41.729     -17.661   4.08 0.143 0.818 0.347 0.037     218.357     300.000       6.751    2 
+    400000        4000.00      31.036     -48.699     -17.663   3.37 0.357 0.615 0.353 0.075     281.572     300.000       6.842    2 
+    410000        4100.00      26.701     -44.363     -17.662   3.21 0.286 0.667 0.371 0.120     242.245     300.000       6.494    2 
+    420000        4200.00      23.496     -41.157     -17.661   3.86 0.429 0.625 0.347 0.061     213.168     300.000       6.318    2 
+    430000        4300.00      34.365     -52.026     -17.661   3.82 0.429 0.647 0.372 0.053     311.775     300.000       6.366    2 
+    440000        4400.00      24.977     -42.638     -17.661   3.69 0.286 0.714 0.393 0.057     226.607     300.000       6.484    2 
+    450000        4500.00      24.891     -42.551     -17.660   3.15 0.357 0.667 0.312 0.072     225.821     300.000       6.776    2 
+    460000        4600.00      26.321     -43.981     -17.660   3.58 0.357 0.615 0.395 0.068     238.798     300.000       6.904    2 
+    470000        4700.00      25.899     -43.561     -17.662   3.73 0.214 0.800 0.370 0.074     234.972     300.000       6.759    2 
+    480000        4800.00      29.881     -47.542     -17.661   3.29 0.500 0.500 0.263 0.097     271.095     300.000       6.648    2 
+    490000        4900.00      28.947     -46.609     -17.662   3.45 0.286 0.600 0.214 0.057     262.620     300.000       7.177    2 
+    500000        5000.00      27.383     -45.044     -17.661   3.09 0.571 0.467 0.348 0.077     248.432     300.000       6.772    2 
+    510000        5100.00      22.447     -40.108     -17.660   3.41 0.500 0.533 0.342 0.059     203.655     300.000       6.834    2 
+    520000        5200.00      32.092     -49.754     -17.661   3.36 0.643 0.471 0.393 0.067     291.157     300.000       6.733    2 
+    530000        5300.00      33.035     -50.698     -17.663   3.28 0.500 0.533 0.327 0.070     299.710     300.000       6.909    2 
+    540000        5400.00      29.547     -47.206     -17.659   2.67 0.571 0.467 0.303 0.045     268.066     300.000       6.676    2 
+    550000        5500.00      30.063     -47.724     -17.661   3.30 0.786 0.421 0.361 0.057     272.750     300.000       6.865    2 
+    560000        5600.00      28.717     -46.377     -17.660   3.13 0.500 0.500 0.279 0.074     260.533     300.000       6.688    2 
+    570000        5700.00      28.690     -46.351     -17.661   3.73 0.571 0.556 0.374 0.069     260.295     300.000       6.533    2 
+    580000        5800.00      26.364     -44.024     -17.660   3.94 0.429 0.500 0.383 0.048     239.190     300.000       6.991    2 
+    590000        5900.00      22.851     -40.511     -17.660   3.28 0.357 0.545 0.467 0.045     207.314     300.000       6.911    2 
+    600000        6000.00      24.907     -42.566     -17.659   3.14 0.429 0.500 0.311 0.081     225.967     300.000       6.810    2 
+    610000        6100.00      27.405     -45.067     -17.662   2.74 0.500 0.588 0.398 0.086     248.632     300.000       6.616    2 
+    620000        6200.00      29.594     -47.256     -17.661   3.35 0.357 0.615 0.322 0.071     268.493     300.000       6.460    2 
+    630000        6300.00      25.151     -42.812     -17.661   3.48 0.286 0.600 0.395 0.045     228.185     300.000       6.950    2 
+    640000        6400.00      25.757     -43.417     -17.661   2.87 0.429 0.571 0.360 0.049     233.677     300.000       6.746    2 
+    650000        6500.00      28.751     -46.412     -17.661   2.73 0.500 0.462 0.364 0.073     260.841     300.000       6.803    2 
+    660000        6600.00      30.452     -48.112     -17.660   2.90 0.429 0.571 0.409 0.075     276.277     300.000       6.830    2 
+    670000        6700.00      31.726     -49.387     -17.660   2.82 0.714 0.412 0.324 0.097     287.839     300.000       6.671    2 
+    680000        6800.00      23.525     -41.185     -17.660   2.67 0.429 0.500 0.333 0.069     213.434     300.000       6.939    2 
+    690000        6900.00      27.396     -45.056     -17.660   2.80 0.357 0.545 0.310 0.062     248.551     300.000       6.805    2 
+    700000        7000.00      27.956     -45.616     -17.659   3.22 0.357 0.667 0.476 0.109     253.635     300.000       6.503    2 
+    710000        7100.00      29.353     -47.013     -17.660   2.68 0.429 0.571 0.399 0.049     266.307     300.000       6.675    2 
+    720000        7200.00      29.607     -47.268     -17.660   2.78 0.571 0.529 0.302 0.058     268.613     300.000       6.587    2 
+    730000        7300.00      29.683     -47.342     -17.659   3.20 0.500 0.533 0.345 0.056     269.300     300.000       6.762    2 
+    740000        7400.00      25.243     -42.902     -17.659   2.85 0.500 0.300 0.268 0.046     229.016     300.000       6.829    2 
+    750000        7500.00      28.585     -46.245     -17.660   3.25 0.500 0.500 0.302 0.069     259.338     300.000       6.644    2 
+    760000        7600.00      23.357     -41.017     -17.661   2.77 0.286 0.556 0.242 0.057     211.905     300.000       6.881    2 
+    770000        7700.00      28.026     -45.685     -17.659   3.39 0.286 0.636 0.438 0.045     254.267     300.000       6.847    2 
+    780000        7800.00      29.973     -47.633     -17.660   3.19 0.357 0.667 0.370 0.058     271.927     300.000       6.439    2 
+    790000        7900.00      27.280     -44.940     -17.659   3.61 0.214 0.667 0.348 0.023     247.502     300.000       6.801    2 
+    800000        8000.00      30.714     -48.374     -17.661   4.38 0.286 0.636 0.252 0.084     278.653     300.000       7.035    2 
+    810000        8100.00      27.253     -44.913     -17.660   4.79 0.214 0.625 0.307 0.081     247.255     300.000       6.890    2 
+    820000        8200.00      28.935     -46.594     -17.659   3.28 0.429 0.538 0.346 0.078     262.512     300.000       6.545    2 
+    830000        8300.00      29.166     -46.826     -17.660   3.87 0.286 0.636 0.293 0.056     264.608     300.000       6.509    2 
+    840000        8400.00      24.169     -41.829     -17.660   4.22 0.214 0.571 0.292 0.069     219.278     300.000       7.082    2 
+    850000        8500.00      28.688     -46.347     -17.659   3.87 0.286 0.556 0.323 0.059     260.272     300.000       6.696    2 
+    860000        8600.00      33.759     -51.420     -17.661   3.85 0.214 0.750 0.352 0.085     306.280     300.000       6.437    2 
+    870000        8700.00      31.427     -49.087     -17.661   3.50 0.500 0.562 0.355 0.079     285.119     300.000       6.267    2 
+    880000        8800.00      30.926     -48.588     -17.662   3.43 0.500 0.632 0.340 0.050     280.573     300.000       6.548    2 
+    890000        8900.00      29.301     -46.963     -17.661   2.94 0.429 0.625 0.341 0.075     265.836     300.000       6.529    2 
+    900000        9000.00      28.611     -46.275     -17.663   3.17 0.357 0.643 0.315 0.108     259.578     300.000       6.597    2 
+    910000        9100.00      29.140     -46.800     -17.661   3.20 0.500 0.533 0.324 0.055     264.371     300.000       6.509    2 
+    920000        9200.00      29.163     -46.823     -17.660   3.84 0.500 0.632 0.330 0.054     264.586     300.000       6.273    2 
+    930000        9300.00      32.386     -50.047     -17.661   2.52 0.429 0.538 0.315 0.069     293.824     300.000       6.786    2 
+    940000        9400.00      19.642     -37.299     -17.657   3.46 0.357 0.667 0.424 0.025     178.201     300.000       6.429    2 
+    950000        9500.00      26.550     -44.211     -17.661   2.92 0.357 0.615 0.297 0.035     240.878     300.000       6.861    2 
+    960000        9600.00      27.478     -45.139     -17.661   3.14 0.357 0.545 0.384 0.042     249.291     300.000       6.590    2 
+    970000        9700.00      32.298     -49.960     -17.662   3.38 0.429 0.571 0.305 0.134     293.023     300.000       6.643    2 
+    980000        9800.00      32.685     -50.347     -17.662   3.12 0.286 0.750 0.284 0.086     296.535     300.000       6.848    2 
+    990000        9900.00      26.536     -44.196     -17.659   3.74 0.071 0.929 0.354 0.068     240.753     300.000       6.632    2 
+   1000000       10000.00      26.957     -44.618     -17.661   3.16 0.286 0.750 0.273 0.045     244.570     300.000       6.631    2 
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB003.stat b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB003.stat
index 60c5003..45ed9a1 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB003.stat
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB003.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.203     662.810     693.012   0.00 1.000 0.000 0.308 8.660     274.015     300.000       7.001    3 
-     10000         100.00     419.182     273.600     692.781   6.85 0.071 0.000 0.136 0.245    3803.034     300.000       9.345    3 
-     20000         200.00     369.276     323.639     692.916   8.88 0.000   NaN   NaN 0.305    3350.266     300.000      12.298    3 
-     30000         300.00     406.250     287.606     693.856   6.13 0.000 1.000 0.136 0.334    3685.713     300.000       9.268    3 
-     40000         400.00     514.403     180.422     694.824   9.20 0.071 0.750 0.193 0.224    4666.927     300.000      12.112    3 
-     50000         500.00     486.014     209.494     695.508   5.60 0.000   NaN   NaN 0.269    4409.371     300.000       9.661    3 
-     60000         600.00     462.073     233.290     695.363   7.60 0.071 0.000 0.182 0.325    4192.163     300.000       9.735    3 
-     70000         700.00     444.218     251.080     695.297   9.52 0.071 0.500 0.136 0.216    4030.172     300.000      12.508    3 
-     80000         800.00     453.777     242.346     696.123   8.20 0.071 0.500 0.136 0.459    4116.901     300.000      12.836    3 
-     90000         900.00     399.503     296.632     696.135   8.98 0.000   NaN   NaN 0.293    3624.501     300.000      12.296    3 
-    100000        1000.00     477.362     217.188     694.550   9.01 0.000 1.000 0.205 0.261    4330.873     300.000      11.778    3 
-    110000        1100.00     492.695     201.844     694.539   7.85 0.000 1.000 0.193 0.483    4469.988     300.000      11.131    3 
-    120000        1200.00     436.975     257.403     694.379   8.00 0.071 0.750 0.159 0.266    3964.465     300.000      11.320    3 
-    130000        1300.00     399.192     293.896     693.087   8.31 0.071 0.500 0.205 0.476    3621.673     300.000      11.563    3 
-    140000        1400.00     465.628     226.845     692.473   4.76 0.000 1.000 0.152 0.353    4224.416     300.000       9.240    3 
-    150000        1500.00     412.978     279.385     692.363   9.44 0.000 1.000 0.136 0.268    3746.748     300.000      12.898    3 
-    160000        1600.00     478.028     214.405     692.433   4.33 0.000   NaN   NaN 0.301    4336.916     300.000       9.396    3 
-    170000        1700.00     463.201     228.903     692.104   9.02 0.000 1.000 0.167 0.129    4202.399     300.000      12.652    3 
-    180000        1800.00     454.623     236.494     691.116   8.62 0.071 0.500 0.159 0.261    4124.571     300.000      12.106    3 
-    190000        1900.00     441.273     248.795     690.068   5.55 0.000 1.000 0.136 0.302    4003.459     300.000       9.680    3 
-    200000        2000.00     446.097     243.935     690.032   6.55 0.000 1.000 0.205 0.270    4047.225     300.000       9.935    3 
-    210000        2100.00     429.418     260.128     689.546   6.80 0.000 1.000 0.227 0.205    3895.904     300.000      10.414    3 
-    220000        2200.00     416.664     272.919     689.582   8.51 0.000 1.000 0.182 0.167    3780.188     300.000      10.754    3 
-    230000        2300.00     457.262     233.329     690.591   6.58 0.000 1.000 0.152 0.560    4148.518     300.000      11.455    3 
-    240000        2400.00     436.021     252.038     688.059   6.00 0.000 1.000 0.227 0.165    3955.812     300.000       9.735    3 
-    250000        2500.00     507.873     180.468     688.342   6.78 0.071 0.667 0.152 0.166    4607.688     300.000      11.013    3 
-    260000        2600.00     406.791     281.932     688.723   8.06 0.071 0.500 0.136 0.235    3690.622     300.000      12.572    3 
-    270000        2700.00     446.930     241.908     688.838   9.58 0.000   NaN   NaN 0.285    4054.780     300.000      12.967    3 
-    280000        2800.00     438.691     249.185     687.876   7.01 0.000   NaN   NaN 0.399    3980.030     300.000      10.057    3 
-    290000        2900.00     419.230     268.119     687.348  10.23 0.000 1.000 0.182 0.395    3803.468     300.000      13.743    3 
-    300000        3000.00     467.588     219.189     686.777   5.72 0.000   NaN   NaN 0.208    4242.204     300.000      10.150    3 
-    310000        3100.00     439.058     247.622     686.679  10.06 0.071 0.000 0.182 0.225    3983.358     300.000      12.649    3 
-    320000        3200.00     436.464     250.181     686.645   6.58 0.000 1.000 0.136 0.281    3959.829     300.000      10.226    3 
-    330000        3300.00     417.006     269.893     686.900   9.78 0.000 1.000 0.159 0.151    3783.296     300.000      13.785    3 
-    340000        3400.00     456.418     230.317     686.734   7.76 0.000 1.000 0.136 0.336    4140.856     300.000      11.917    3 
-    350000        3500.00     376.312     310.360     686.672   7.67 0.071 0.500 0.136 0.249    3414.097     300.000      11.980    3 
-    360000        3600.00     430.155     255.878     686.033  10.11 0.071 0.000 0.136 0.241    3902.587     300.000      12.885    3 
-    370000        3700.00     491.549     191.593     683.143   8.45 0.000 1.000 0.136 0.299    4459.588     300.000      11.521    3 
-    380000        3800.00     456.323     239.141     695.463  10.82 0.000   NaN   NaN 0.238    4139.994     300.000      13.403    3 
-    390000        3900.00     413.296     282.779     696.075   5.63 0.000 1.000 0.205 0.131    3749.633     300.000       9.687    3 
-    400000        4000.00     443.517     251.705     695.222   7.61 0.143 0.500 0.148 0.329    4023.817     300.000       9.464    3 
-    410000        4100.00     501.905     193.420     695.325  10.27 0.000   NaN   NaN 0.177    4553.542     300.000      13.459    3 
-    420000        4200.00     484.630     210.266     694.896   8.58 0.071 0.000 0.227 0.306    4396.817     300.000      10.340    3 
-    430000        4300.00     443.156     251.580     694.736  10.32 0.071 0.000 0.136 0.184    4020.542     300.000      14.327    3 
-    440000        4400.00     509.348     185.668     695.016   7.82 0.000 1.000 0.136 0.318    4621.067     300.000      11.608    3 
-    450000        4500.00     496.115     198.941     695.056  10.42 0.000 1.000 0.136 0.273    4501.016     300.000      13.551    3 
-    460000        4600.00     377.920     316.423     694.343   7.99 0.143 0.000 0.159 0.308    3428.687     300.000      11.431    3 
-    470000        4700.00     415.577     278.391     693.967   7.59 0.000   NaN   NaN 0.182    3770.326     300.000      11.364    3 
-    480000        4800.00     461.346     232.823     694.169   9.53 0.000 1.000 0.182 0.268    4185.571     300.000      12.341    3 
-    490000        4900.00     467.469     229.079     696.548   8.91 0.071 0.000 0.136 0.391    4241.116     300.000      11.148    3 
-    500000        5000.00     424.428     272.142     696.570   8.27 0.000 1.000 0.173 0.286    3850.633     300.000      11.701    3 
-    510000        5100.00     466.424     230.149     696.572   6.96 0.071 0.000 0.136 0.281    4231.638     300.000      11.344    3 
-    520000        5200.00     415.630     281.126     696.756   8.90 0.071 0.750 0.148 0.217    3770.811     300.000      12.344    3 
-    530000        5300.00     491.157     203.907     695.065   6.71 0.000 1.000 0.205 0.277    4456.033     300.000       9.183    3 
-    540000        5400.00     454.668     239.140     693.808   4.53 0.071 0.500 0.205 0.379    4124.981     300.000       7.991    3 
-    550000        5500.00     466.799     227.158     693.957  10.32 0.000 1.000 0.159 0.585    4235.042     300.000      13.436    3 
-    560000        5600.00     376.014     318.462     694.477   8.38 0.214 0.000 0.182 0.219    3411.396     300.000      10.996    3 
-    570000        5700.00     404.896     289.235     694.130   6.87 0.000 1.000 0.136 0.268    3673.425     300.000      11.245    3 
-    580000        5800.00     416.455     277.592     694.047   9.16 0.000 1.000 0.182 0.404    3778.295     300.000      12.373    3 
-    590000        5900.00     413.149     281.398     694.547   8.40 0.071 0.500 0.273 0.234    3748.301     300.000      11.025    3 
-    600000        6000.00     487.786     204.762     692.549  10.06 0.000 1.000 0.136 0.249    4425.451     300.000      12.806    3 
-    610000        6100.00     401.013     291.871     692.885   9.94 0.000   NaN   NaN 0.421    3638.200     300.000      12.025    3 
-    620000        6200.00     486.300     206.736     693.037   7.77 0.000   NaN   NaN 0.587    4411.968     300.000      11.412    3 
-    630000        6300.00     421.860     270.670     692.531   9.68 0.071 0.000 0.136 0.343    3827.334     300.000      11.821    3 
-    640000        6400.00     438.967     253.476     692.443   7.36 0.071 0.500 0.205 0.373    3982.536     300.000      10.289    3 
-    650000        6500.00     440.800     251.746     692.546  10.02 0.000 1.000 0.136 0.196    3999.162     300.000      13.302    3 
-    660000        6600.00     455.134     237.623     692.758   8.13 0.000 1.000 0.239 0.350    4129.213     300.000      10.232    3 
-    670000        6700.00     517.859     174.944     692.803   7.83 0.071 0.000 0.136 0.680    4698.284     300.000      12.164    3 
-    680000        6800.00     385.634     306.275     691.909  10.35 0.000 1.000 0.136 0.452    3498.673     300.000      12.818    3 
-    690000        6900.00     463.244     229.896     693.140   6.70 0.143 0.600 0.227 0.218    4202.789     300.000      10.925    3 
-    700000        7000.00     490.093     202.995     693.088   8.33 0.000   NaN   NaN 0.109    4446.375     300.000      11.077    3 
-    710000        7100.00     412.401     279.246     691.647   8.87 0.000   NaN   NaN 0.230    3741.515     300.000      11.023    3 
-    720000        7200.00     481.170     210.910     692.080   8.77 0.000 1.000 0.182 0.220    4365.424     300.000      11.414    3 
-    730000        7300.00     449.440     244.586     694.026   5.74 0.000   NaN   NaN 0.298    4077.549     300.000      11.013    3 
-    740000        7400.00     477.321     216.236     693.558   7.70 0.000   NaN   NaN 0.193    4330.504     300.000      12.469    3 
-    750000        7500.00     445.777     246.711     692.488   7.00 0.000   NaN   NaN 0.550    4044.316     300.000      10.513    3 
-    760000        7600.00     375.928     329.073     705.001   6.92 0.071 0.667 0.197 0.280    3410.614     300.000      10.966    3 
-    770000        7700.00     431.683     273.551     705.234   7.85 0.071 0.667 0.136 0.471    3916.448     300.000       9.421    3 
-    780000        7800.00     452.179     252.886     705.065   8.38 0.143 0.500 0.205 0.175    4102.399     300.000      10.188    3 
-    790000        7900.00     438.709     266.161     704.870   6.33 0.000 1.000 0.136 0.195    3980.194     300.000      10.178    3 
-    800000        8000.00     447.692     257.071     704.763   7.35 0.071 0.500 0.136 0.271    4061.693     300.000      11.178    3 
-    810000        8100.00     390.185     314.205     704.390   6.79 0.071 0.750 0.239 0.232    3539.956     300.000       9.626    3 
-    820000        8200.00     459.114     244.685     703.799   8.78 0.000 1.000 0.136 0.443    4165.318     300.000      11.712    3 
-    830000        8300.00     420.987     283.377     704.364   7.72 0.000   NaN   NaN 0.277    3819.409     300.000      11.871    3 
-    840000        8400.00     432.218     274.532     706.749   9.45 0.071 0.500 0.136 0.321    3921.303     300.000      12.478    3 
-    850000        8500.00     449.660     257.274     706.934   8.26 0.000 1.000 0.182 0.306    4079.546     300.000      11.829    3 
-    860000        8600.00     435.098     272.841     707.939  10.20 0.071 0.500 0.136 0.235    3947.431     300.000      13.350    3 
-    870000        8700.00     506.933     201.019     707.952   7.27 0.000 1.000 0.136 0.299    4599.159     300.000      11.832    3 
-    880000        8800.00     504.813     202.795     707.608   9.77 0.000   NaN   NaN 0.319    4579.925     300.000      12.882    3 
-    890000        8900.00     483.226     225.757     708.982  11.22 0.000   NaN   NaN 0.288    4384.073     300.000      14.280    3 
-    900000        9000.00     419.571     289.531     709.103   7.90 0.000   NaN   NaN 0.183    3806.567     300.000      11.990    3 
-    910000        9100.00     454.858     254.449     709.308   6.61 0.000   NaN   NaN 0.207    4126.711     300.000      10.412    3 
-    920000        9200.00     486.357     222.641     708.998  10.23 0.000 1.000 0.136 0.238    4412.483     300.000      14.154    3 
-    930000        9300.00     455.046     254.024     709.070   9.42 0.000 1.000 0.136 0.193    4128.415     300.000      13.545    3 
-    940000        9400.00     466.466     233.423     699.889  10.00 0.000   NaN   NaN 0.223    4232.017     300.000      13.365    3 
-    950000        9500.00     485.743     214.117     699.860   7.71 0.000 1.000 0.159 0.179    4406.912     300.000      12.052    3 
-    960000        9600.00     441.303     259.349     700.652  10.24 0.000   NaN   NaN 0.268    4003.728     300.000      13.134    3 
-    970000        9700.00     498.712     202.229     700.941   7.75 0.071 0.500 0.159 0.224    4524.573     300.000      10.548    3 
-    980000        9800.00     448.577     252.235     700.812  10.26 0.071 0.500 0.159 0.340    4069.722     300.000      13.205    3 
-    990000        9900.00     500.579     200.488     701.066   9.08 0.071 0.000 0.136 0.188    4541.510     300.000      12.523    3 
-   1000000       10000.00     501.331     199.717     701.048   8.64 0.000 1.000 0.136 0.270    4548.336     300.000      12.484    3 
+         0           0.00      30.034     -51.451     -21.417   2.26 0.786 0.476 0.357 0.199     272.485     300.000       6.690    3 
+     10000         100.00      22.233     -43.648     -21.415   2.19 0.643 0.438 0.312 0.062     201.708     300.000       6.363    3 
+     20000         200.00      29.114     -50.528     -21.414   1.71 0.500 0.462 0.357 0.038     264.141     300.000       6.880    3 
+     30000         300.00      27.358     -48.773     -21.415   1.98 0.714 0.444 0.381 0.032     248.206     300.000       6.861    3 
+     40000         400.00      29.669     -51.084     -21.415   2.97 0.571 0.529 0.254 0.028     269.175     300.000       6.508    3 
+     50000         500.00      26.234     -47.648     -21.414   2.03 0.500 0.562 0.278 0.062     238.007     300.000       6.678    3 
+     60000         600.00      21.327     -42.741     -21.414   2.08 0.571 0.429 0.318 0.037     193.491     300.000       6.656    3 
+     70000         700.00      27.347     -48.763     -21.416   1.87 0.500 0.500 0.256 0.038     248.105     300.000       7.208    3 
+     80000         800.00      23.344     -44.759     -21.415   2.13 0.429 0.400 0.232 0.065     211.792     300.000       6.868    3 
+     90000         900.00      29.549     -50.964     -21.414   2.37 0.357 0.615 0.199 0.083     268.086     300.000       7.082    3 
+    100000        1000.00      25.618     -47.032     -21.414   3.21 0.429 0.500 0.265 0.074     232.417     300.000       6.843    3 
+    110000        1100.00      23.412     -44.826     -21.414   3.06 0.429 0.571 0.282 0.037     212.406     300.000       6.873    3 
+    120000        1200.00      26.681     -48.095     -21.414   3.49 0.571 0.500 0.318 0.047     242.065     300.000       6.792    3 
+    130000        1300.00      24.725     -46.139     -21.413   3.48 0.429 0.538 0.241 0.093     224.322     300.000       6.912    3 
+    140000        1400.00      27.507     -48.921     -21.415   3.23 0.571 0.556 0.306 0.047     249.553     300.000       6.560    3 
+    150000        1500.00      28.010     -49.424     -21.414   3.35 0.500 0.462 0.318 0.042     254.122     300.000       7.020    3 
+    160000        1600.00      25.456     -46.870     -21.414   3.78 0.500 0.562 0.318 0.064     230.947     300.000       6.749    3 
+    170000        1700.00      27.306     -48.721     -21.415   3.39 0.429 0.625 0.307 0.036     247.731     300.000       6.664    3 
+    180000        1800.00      28.878     -50.292     -21.414   3.15 0.429 0.538 0.346 0.042     261.996     300.000       6.443    3 
+    190000        1900.00      26.282     -47.697     -21.416   3.90 0.429 0.538 0.311 0.060     238.441     300.000       6.855    3 
+    200000        2000.00      23.107     -44.521     -21.415   3.36 0.571 0.429 0.331 0.056     209.637     300.000       6.567    3 
+    210000        2100.00      32.103     -53.517     -21.414   3.46 0.571 0.500 0.347 0.076     291.253     300.000       6.223    3 
+    220000        2200.00      24.754     -46.169     -21.415   3.43 0.357 0.615 0.297 0.090     224.585     300.000       6.598    3 
+    230000        2300.00      31.521     -52.937     -21.416   2.95 0.500 0.533 0.291 0.061     285.971     300.000       6.720    3 
+    240000        2400.00      29.264     -50.679     -21.414   2.92 0.357 0.688 0.341 0.066     265.501     300.000       6.770    3 
+    250000        2500.00      21.071     -42.485     -21.414   3.40 0.357 0.615 0.353 0.050     191.171     300.000       6.483    3 
+    260000        2600.00      26.771     -48.186     -21.415   4.17 0.429 0.647 0.342 0.043     242.877     300.000       6.240    3 
+    270000        2700.00      27.659     -49.076     -21.417   3.85 0.214 0.824 0.321 0.042     250.939     300.000       6.469    3 
+    280000        2800.00      25.098     -46.513     -21.415   4.35 0.143 0.846 0.283 0.071     227.701     300.000       6.872    3 
+    290000        2900.00      28.693     -50.110     -21.417   4.20 0.357 0.706 0.326 0.080     260.322     300.000       6.600    3 
+    300000        3000.00      26.336     -47.750     -21.414   4.00 0.357 0.688 0.369 0.060     238.930     300.000       6.663    3 
+    310000        3100.00      27.743     -49.158     -21.415   4.54 0.286 0.733 0.367 0.067     251.699     300.000       6.728    3 
+    320000        3200.00      26.848     -48.262     -21.414   4.11 0.429 0.684 0.400 0.105     243.579     300.000       6.862    3 
+    330000        3300.00      24.849     -46.264     -21.415   3.91 0.286 0.667 0.326 0.057     225.444     300.000       6.734    3 
+    340000        3400.00      29.227     -50.643     -21.416   4.59 0.429 0.727 0.446 0.070     265.165     300.000       6.264    3 
+    350000        3500.00      24.145     -45.559     -21.413   4.68 0.357 0.688 0.443 0.060     219.060     300.000       6.736    3 
+    360000        3600.00      32.130     -53.546     -21.416   4.21 0.357 0.722 0.447 0.079     291.501     300.000       6.407    3 
+    370000        3700.00      26.998     -48.414     -21.416   3.75 0.429 0.571 0.370 0.084     244.938     300.000       7.012    3 
+    380000        3800.00      26.695     -48.110     -21.415   3.62 0.429 0.667 0.354 0.048     242.187     300.000       6.721    3 
+    390000        3900.00      22.064     -43.481     -21.416   3.72 0.357 0.688 0.290 0.066     200.180     300.000       6.815    3 
+    400000        4000.00      25.521     -46.936     -21.415   3.78 0.286 0.692 0.322 0.059     231.537     300.000       6.890    3 
+    410000        4100.00      25.669     -47.084     -21.414   4.67 0.286 0.714 0.351 0.050     232.886     300.000       6.724    3 
+    420000        4200.00      27.451     -48.866     -21.415   4.67 0.214 0.800 0.352 0.037     249.051     300.000       6.814    3 
+    430000        4300.00      28.201     -49.617     -21.415   4.15 0.357 0.722 0.391 0.043     255.858     300.000       6.430    3 
+    440000        4400.00      24.832     -46.246     -21.414   3.77 0.286 0.765 0.337 0.039     225.289     300.000       6.686    3 
+    450000        4500.00      32.145     -53.561     -21.416   4.53 0.286 0.778 0.402 0.091     291.638     300.000       6.398    3 
+    460000        4600.00      27.403     -48.819     -21.416   4.07 0.214 0.750 0.420 0.046     248.613     300.000       6.558    3 
+    470000        4700.00      30.403     -51.820     -21.417   3.96 0.429 0.571 0.416 0.046     275.834     300.000       6.420    3 
+    480000        4800.00      25.734     -47.150     -21.416   4.23 0.429 0.571 0.315 0.123     233.468     300.000       6.542    3 
+    490000        4900.00      24.131     -45.544     -21.413   4.76 0.286 0.765 0.439 0.064     218.929     300.000       6.608    3 
+    500000        5000.00      27.716     -49.129     -21.413   4.40 0.357 0.615 0.367 0.065     251.456     300.000       6.424    3 
+    510000        5100.00      28.978     -50.391     -21.414   4.53 0.357 0.722 0.419 0.069     262.900     300.000       6.591    3 
+    520000        5200.00      25.915     -47.327     -21.412   4.07 0.357 0.643 0.390 0.050     235.112     300.000       6.876    3 
+    530000        5300.00      26.458     -47.871     -21.413   4.23 0.357 0.643 0.364 0.077     240.043     300.000       6.496    3 
+    540000        5400.00      29.246     -50.659     -21.413   4.58 0.357 0.643 0.429 0.086     265.335     300.000       6.702    3 
+    550000        5500.00      26.498     -47.910     -21.412   3.89 0.357 0.722 0.394 0.082     240.402     300.000       6.634    3 
+    560000        5600.00      28.470     -49.883     -21.412   4.55 0.500 0.611 0.376 0.054     258.299     300.000       6.643    3 
+    570000        5700.00      29.411     -50.823     -21.413   4.27 0.357 0.667 0.342 0.039     266.829     300.000       6.602    3 
+    580000        5800.00      22.821     -44.231     -21.410   4.31 0.357 0.706 0.388 0.031     207.042     300.000       6.434    3 
+    590000        5900.00      24.613     -46.025     -21.412   3.97 0.429 0.625 0.429 0.029     223.302     300.000       6.444    3 
+    600000        6000.00      28.825     -50.238     -21.413   3.71 0.571 0.600 0.373 0.063     261.515     300.000       6.192    3 
+    610000        6100.00      30.786     -52.200     -21.414   3.36 0.429 0.600 0.391 0.110     279.308     300.000       6.515    3 
+    620000        6200.00      27.172     -48.584     -21.412   3.22 0.429 0.571 0.354 0.057     246.521     300.000       6.520    3 
+    630000        6300.00      27.464     -48.877     -21.413   3.88 0.500 0.533 0.400 0.052     249.167     300.000       6.377    3 
+    640000        6400.00      25.989     -47.401     -21.412   4.06 0.357 0.722 0.409 0.056     235.788     300.000       6.286    3 
+    650000        6500.00      29.624     -51.037     -21.413   3.74 0.429 0.684 0.342 0.104     268.765     300.000       6.445    3 
+    660000        6600.00      27.737     -49.150     -21.413   2.97 0.286 0.556 0.465 0.073     251.648     300.000       6.960    3 
+    670000        6700.00      22.059     -43.472     -21.413   3.46 0.429 0.538 0.409 0.058     200.132     300.000       6.661    3 
+    680000        6800.00      31.200     -52.614     -21.414   2.97 0.571 0.500 0.301 0.051     283.066     300.000       6.709    3 
+    690000        6900.00      25.711     -47.122     -21.412   3.29 0.500 0.533 0.442 0.048     233.259     300.000       6.653    3 
+    700000        7000.00      25.533     -46.945     -21.412   3.10 0.429 0.538 0.311 0.054     231.644     300.000       6.967    3 
+    710000        7100.00      23.854     -45.268     -21.414   3.29 0.429 0.571 0.429 0.102     216.417     300.000       6.597    3 
+    720000        7200.00      26.839     -48.255     -21.416   3.02 0.286 0.600 0.332 0.109     243.496     300.000       7.033    3 
+    730000        7300.00      29.883     -51.295     -21.412   3.50 0.571 0.556 0.359 0.049     271.113     300.000       6.545    3 
+    740000        7400.00      30.060     -51.473     -21.412   3.72 0.357 0.722 0.439 0.065     272.722     300.000       6.299    3 
+    750000        7500.00      26.234     -47.647     -21.412   3.86 0.286 0.765 0.401 0.080     238.013     300.000       6.278    3 
+    760000        7600.00      30.394     -51.806     -21.412   4.14 0.429 0.647 0.417 0.054     275.752     300.000       6.384    3 
+    770000        7700.00      26.163     -47.576     -21.413   4.06 0.357 0.688 0.378 0.063     237.363     300.000       6.249    3 
+    780000        7800.00      28.486     -49.898     -21.412   3.66 0.357 0.615 0.381 0.034     258.439     300.000       6.562    3 
+    790000        7900.00      27.724     -49.136     -21.412   4.06 0.286 0.810 0.450 0.094     251.525     300.000       6.366    3 
+    800000        8000.00      30.883     -52.295     -21.412   3.60 0.500 0.462 0.357 0.080     280.185     300.000       6.533    3 
+    810000        8100.00      25.286     -46.698     -21.412   3.90 0.286 0.765 0.388 0.063     229.406     300.000       6.451    3 
+    820000        8200.00      30.120     -51.533     -21.414   3.43 0.429 0.600 0.418 0.109     273.261     300.000       6.531    3 
+    830000        8300.00      24.012     -45.423     -21.410   3.51 0.500 0.632 0.368 0.102     217.850     300.000       6.412    3 
+    840000        8400.00      28.428     -49.841     -21.413   4.17 0.429 0.600 0.430 0.117     257.917     300.000       6.232    3 
+    850000        8500.00      30.246     -51.658     -21.412   3.95 0.429 0.625 0.412 0.049     274.409     300.000       6.373    3 
+    860000        8600.00      29.847     -51.263     -21.416   3.90 0.429 0.647 0.404 0.104     270.788     300.000       6.336    3 
+    870000        8700.00      24.944     -46.356     -21.412   4.07 0.429 0.647 0.409 0.089     226.305     300.000       6.487    3 
+    880000        8800.00      26.411     -47.823     -21.412   4.31 0.429 0.625 0.494 0.049     239.616     300.000       6.229    3 
+    890000        8900.00      26.443     -47.855     -21.412   3.19 0.643 0.471 0.350 0.061     239.902     300.000       6.878    3 
+    900000        9000.00      29.229     -50.643     -21.414   3.16 0.429 0.600 0.424 0.038     265.182     300.000       6.758    3 
+    910000        9100.00      28.188     -49.600     -21.412   3.12 0.500 0.417 0.348 0.055     255.740     300.000       6.818    3 
+    920000        9200.00      30.687     -52.100     -21.414   2.64 0.571 0.600 0.395 0.074     278.406     300.000       6.662    3 
+    930000        9300.00      26.414     -47.827     -21.413   3.99 0.571 0.500 0.392 0.085     239.643     300.000       6.427    3 
+    940000        9400.00      29.936     -51.349     -21.414   2.80 0.500 0.588 0.382 0.042     271.592     300.000       6.903    3 
+    950000        9500.00      25.794     -47.205     -21.411   3.30 0.643 0.591 0.386 0.023     234.020     300.000       6.607    3 
+    960000        9600.00      25.308     -46.719     -21.411   3.57 0.357 0.737 0.378 0.057     229.607     300.000       6.744    3 
+    970000        9700.00      25.806     -47.219     -21.413   4.06 0.500 0.588 0.348 0.050     234.125     300.000       7.267    3 
+    980000        9800.00      28.936     -50.348     -21.412   2.89 0.429 0.647 0.374 0.051     262.526     300.000       6.680    3 
+    990000        9900.00      23.474     -44.887     -21.413   3.95 0.429 0.571 0.416 0.043     212.964     300.000       6.870    3 
+   1000000       10000.00      26.299     -47.712     -21.413   3.38 0.429 0.647 0.366 0.084     238.597     300.000       6.884    3 
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB004.stat b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB004.stat
index eb33bd1..3f61527 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB004.stat
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB004.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.886     662.810     690.695   0.00 1.000 0.000 0.308 8.660     252.992     300.000       7.001    4 
-     10000         100.00     460.806     229.987     690.793   7.67 0.071 0.667 0.197 0.397    4180.670     300.000      11.455    4 
-     20000         200.00     441.283     248.751     690.033   8.85 0.000 1.000 0.159 0.442    4003.545     300.000      11.275    4 
-     30000         300.00     461.730     228.201     689.931   7.94 0.071 0.667 0.167 0.171    4189.057     300.000      11.499    4 
-     40000         400.00     415.771     273.713     689.483   6.00 0.000 1.000 0.136 0.248    3772.086     300.000       9.109    4 
-     50000         500.00     461.610     228.739     690.349   7.33 0.143 0.000 0.136 0.430    4187.968     300.000       9.759    4 
-     60000         600.00     448.093     242.424     690.516   7.54 0.143 0.000 0.182 0.327    4065.327     300.000      11.237    4 
-     70000         700.00     461.797     227.760     689.557   8.37 0.000 1.000 0.318 0.322    4189.658     300.000      10.521    4 
-     80000         800.00     439.784     249.944     689.728   7.20 0.071 0.833 0.189 0.308    3989.946     300.000       9.640    4 
-     90000         900.00     424.716     263.376     688.093  10.56 0.000   NaN   NaN 0.455    3853.247     300.000      14.198    4 
-    100000        1000.00     471.864     216.106     687.971   6.12 0.071 0.667 0.182 0.433    4280.999     300.000      10.508    4 
-    110000        1100.00     464.878     223.411     688.289   8.58 0.000   NaN   NaN 0.128    4217.612     300.000      12.603    4 
-    120000        1200.00     506.615     181.561     688.176   6.36 0.071 0.000 0.136 0.263    4596.273     300.000       8.736    4 
-    130000        1300.00     481.722     206.436     688.158   7.40 0.071 0.500 0.159 0.157    4370.429     300.000      10.202    4 
-    140000        1400.00     454.114     233.886     687.999   4.44 0.000 1.000 0.136 0.313    4119.953     300.000       8.944    4 
-    150000        1500.00     426.596     261.604     688.200   7.81 0.071 0.500 0.136 0.353    3870.301     300.000      11.335    4 
-    160000        1600.00     468.151     220.964     689.114   5.24 0.000 1.000 0.159 0.313    4247.305     300.000       9.468    4 
-    170000        1700.00     478.290     211.146     689.436   7.38 0.071 0.667 0.242 0.260    4339.295     300.000      10.286    4 
-    180000        1800.00     437.826     256.833     694.659   7.77 0.000   NaN   NaN 0.539    3972.182     300.000      11.587    4 
-    190000        1900.00     423.626     270.234     693.861   5.08 0.000 1.000 0.182 0.363    3843.356     300.000       8.960    4 
-    200000        2000.00     399.046     294.083     693.129  10.08 0.071 0.500 0.136 0.347    3620.350     300.000      13.473    4 
-    210000        2100.00     473.779     218.446     692.225   7.23 0.000 1.000 0.136 0.378    4298.366     300.000      10.753    4 
-    220000        2200.00     422.090     270.155     692.246   5.35 0.071 0.000 0.136 0.441    3829.423     300.000       9.485    4 
-    230000        2300.00     488.633     202.736     691.369   9.78 0.000   NaN   NaN 0.291    4433.135     300.000      12.382    4 
-    240000        2400.00     452.792     238.429     691.221   6.85 0.000 1.000 0.136 0.294    4107.965     300.000      10.734    4 
-    250000        2500.00     468.170     222.758     690.928   5.56 0.000 1.000 0.455 0.247    4247.482     300.000       8.967    4 
-    260000        2600.00     464.508     224.816     689.324   8.42 0.000 1.000 0.136 0.322    4214.255     300.000      11.929    4 
-    270000        2700.00     500.300     185.723     686.024   5.13 0.000   NaN   NaN 0.228    4538.985     300.000       9.215    4 
-    280000        2800.00     441.498     244.384     685.882  10.93 0.000 1.000 0.136 0.251    4005.498     300.000      14.645    4 
-    290000        2900.00     464.910     220.930     685.840   5.84 0.000   NaN   NaN 0.259    4217.907     300.000       9.253    4 
-    300000        3000.00     476.770     209.034     685.804   8.40 0.071 0.500 0.136 0.288    4325.507     300.000      12.376    4 
-    310000        3100.00     448.700     236.249     684.949   6.63 0.000   NaN   NaN 0.294    4070.842     300.000      10.348    4 
-    320000        3200.00     428.318     256.865     685.183   5.18 0.000 1.000 0.136 0.269    3885.924     300.000       9.069    4 
-    330000        3300.00     419.280     264.993     684.273  10.09 0.071 0.750 0.170 0.261    3803.923     300.000      13.155    4 
-    340000        3400.00     418.505     266.164     684.669   8.13 0.071 0.000 0.136 0.205    3796.898     300.000      12.305    4 
-    350000        3500.00     434.227     249.910     684.137   6.20 0.071 0.500 0.136 0.310    3939.534     300.000      10.014    4 
-    360000        3600.00     409.459     281.040     690.499   5.47 0.000   NaN   NaN 0.488    3714.820     300.000       9.871    4 
-    370000        3700.00     423.652     265.380     689.031   7.16 0.143 0.600 0.209 0.358    3843.588     300.000      10.331    4 
-    380000        3800.00     435.103     253.479     688.582   5.27 0.000 1.000 0.148 0.315    3947.475     300.000       8.406    4 
-    390000        3900.00     378.603     310.379     688.982   8.23 0.000 1.000 0.182 0.379    3434.882     300.000      11.344    4 
-    400000        4000.00     399.233     289.994     689.228   5.26 0.000 1.000 0.152 0.198    3622.049     300.000       8.133    4 
-    410000        4100.00     422.245     269.357     691.603   9.81 0.071 0.000 0.136 0.218    3830.827     300.000      12.753    4 
-    420000        4200.00     404.026     287.582     691.608   8.80 0.071 0.667 0.136 0.198    3665.532     300.000      11.044    4 
-    430000        4300.00     387.631     301.915     689.546   5.54 0.000 1.000 0.341 0.201    3516.789     300.000       9.518    4 
-    440000        4400.00     464.332     239.157     703.489   8.39 0.071 0.000 0.136 0.301    4212.660     300.000      13.026    4 
-    450000        4500.00     384.055     319.180     703.235   8.57 0.000 1.000 0.136 0.163    3484.343     300.000      11.526    4 
-    460000        4600.00     490.630     211.790     702.420   8.39 0.000 1.000 0.227 0.250    4451.245     300.000      12.237    4 
-    470000        4700.00     506.210     195.966     702.177   7.00 0.000 1.000 0.227 0.545    4592.602     300.000      10.483    4 
-    480000        4800.00     424.491     277.717     702.208   5.65 0.071 0.000 0.136 0.336    3851.205     300.000       9.587    4 
-    490000        4900.00     460.381     242.029     702.410  11.25 0.000   NaN   NaN 0.200    4176.813     300.000      14.179    4 
-    500000        5000.00     460.547     241.660     702.207  10.10 0.000 1.000 0.136 0.235    4178.320     300.000      12.528    4 
-    510000        5100.00     429.947     273.387     703.334   7.12 0.000 1.000 0.318 0.351    3900.697     300.000      10.740    4 
-    520000        5200.00     460.809     242.919     703.728   7.04 0.071 0.000 0.136 0.212    4180.699     300.000      10.552    4 
-    530000        5300.00     402.479     301.562     704.041   6.93 0.000   NaN   NaN 0.250    3651.494     300.000      10.557    4 
-    540000        5400.00     495.180     209.182     704.362   6.99 0.000 1.000 0.500 0.391    4492.532     300.000      10.519    4 
-    550000        5500.00     382.346     322.524     704.871   7.02 0.000   NaN   NaN 0.183    3468.845     300.000      10.552    4 
-    560000        5600.00     384.782     320.310     705.092   8.32 0.000 1.000 0.136 0.372    3490.937     300.000      10.706    4 
-    570000        5700.00     444.560     260.984     705.544   7.38 0.071 0.500 0.136 0.195    4033.275     300.000      11.021    4 
-    580000        5800.00     489.398     216.558     705.956   4.67 0.000   NaN   NaN 0.483    4440.068     300.000       8.749    4 
-    590000        5900.00     476.483     230.931     707.413   8.46 0.000 1.000 0.364 0.201    4322.898     300.000      11.897    4 
-    600000        6000.00     480.512     226.293     706.805   6.82 0.143 0.000 0.159 0.284    4359.455     300.000       9.945    4 
-    610000        6100.00     425.274     279.521     704.795   8.07 0.000 1.000 0.409 0.228    3858.306     300.000      10.754    4 
-    620000        6200.00     408.694     305.166     713.860   9.80 0.000 1.000 0.227 0.201    3707.886     300.000      13.009    4 
-    630000        6300.00     482.900     230.817     713.716   9.54 0.000   NaN   NaN 0.687    4381.116     300.000      12.650    4 
-    640000        6400.00     404.025     309.594     713.619   5.39 0.071 0.667 0.182 0.291    3665.520     300.000       9.057    4 
-    650000        6500.00     502.601     208.485     711.085   7.18 0.000   NaN   NaN 0.174    4559.852     300.000      10.803    4 
-    660000        6600.00     455.733     254.828     710.561   5.94 0.143 0.333 0.364 0.366    4134.644     300.000       8.938    4 
-    670000        6700.00     483.170     226.993     710.163   7.34 0.000   NaN   NaN 0.295    4383.566     300.000      11.869    4 
-    680000        6800.00     519.496     190.528     710.024   9.03 0.000 1.000 0.182 0.352    4713.134     300.000      11.759    4 
-    690000        6900.00     470.671     239.475     710.147   6.49 0.000 1.000 0.409 0.501    4270.172     300.000       8.159    4 
-    700000        7000.00     421.503     289.882     711.385  11.22 0.000   NaN   NaN 0.239    3824.095     300.000      14.074    4 
-    710000        7100.00     468.825     246.651     715.477   6.44 0.000   NaN   NaN 0.179    4253.425     300.000       9.044    4 
-    720000        7200.00     504.312     211.982     716.293   8.36 0.000 1.000 0.136 0.215    4575.376     300.000      12.093    4 
-    730000        7300.00     460.437     257.418     717.855   6.94 0.000   NaN   NaN 0.299    4177.322     300.000      11.325    4 
-    740000        7400.00     488.328     230.298     718.626   4.80 0.071 0.000 0.136 0.213    4430.364     300.000       8.992    4 
-    750000        7500.00     456.002     263.501     719.504   6.89 0.000   NaN   NaN 0.146    4137.088     300.000      11.061    4 
-    760000        7600.00     413.442     306.132     719.573   6.24 0.071 0.000 0.136 0.202    3750.957     300.000       9.914    4 
-    770000        7700.00     433.176     286.199     719.375   7.78 0.071 0.500 0.136 0.313    3929.993     300.000      12.025    4 
-    780000        7800.00     473.196     243.968     717.164   5.24 0.000   NaN   NaN 0.152    4293.082     300.000       8.954    4 
-    790000        7900.00     467.031     250.241     717.272   5.37 0.000   NaN   NaN 0.200    4237.147     300.000       9.217    4 
-    800000        8000.00     442.512     274.695     717.207   9.12 0.000 1.000 0.136 0.289    4014.698     300.000      13.031    4 
-    810000        8100.00     475.677     241.327     717.004   5.24 0.000 1.000 0.318 0.185    4315.585     300.000       7.755    4 
-    820000        8200.00     413.286     303.776     717.061   8.61 0.000 1.000 0.136 0.229    3749.541     300.000      12.032    4 
-    830000        8300.00     449.148     269.785     718.934   6.82 0.000   NaN   NaN 0.236    4074.907     300.000      10.603    4 
-    840000        8400.00     497.259     221.419     718.678   7.81 0.000 1.000 0.159 0.497    4511.391     300.000      11.121    4 
-    850000        8500.00     520.169     198.399     718.569   8.58 0.000 1.000 0.136 0.254    4719.244     300.000      10.583    4 
-    860000        8600.00     415.093     303.045     718.138   8.52 0.000 1.000 0.159 0.139    3765.938     300.000      11.297    4 
-    870000        8700.00     463.983     253.988     717.971   7.12 0.000   NaN   NaN 0.283    4209.492     300.000      11.148    4 
-    880000        8800.00     463.995     253.883     717.878   7.20 0.000   NaN   NaN 0.248    4209.604     300.000      10.385    4 
-    890000        8900.00     450.827     267.359     718.186   9.16 0.000 1.000 0.182 0.313    4090.131     300.000      13.147    4 
-    900000        9000.00     467.397     250.945     718.342   6.10 0.000 1.000 0.227 0.232    4240.465     300.000       8.604    4 
-    910000        9100.00     472.326     246.106     718.431   9.33 0.071 0.000 0.136 0.199    4285.181     300.000      12.224    4 
-    920000        9200.00     461.030     257.969     719.000   8.77 0.000 1.000 0.273 0.353    4182.706     300.000      12.093    4 
-    930000        9300.00     447.631     272.204     719.835   5.76 0.071 0.500 0.182 0.301    4061.143     300.000       9.429    4 
-    940000        9400.00     378.280     346.615     724.895   7.50 0.000   NaN   NaN 0.194    3431.949     300.000      11.936    4 
-    950000        9500.00     441.397     282.682     724.080   5.66 0.000 1.000 0.205 0.183    4004.584     300.000       9.377    4 
-    960000        9600.00     438.669     285.414     724.084   7.80 0.143 0.333 0.167 0.206    3979.833     300.000       9.681    4 
-    970000        9700.00     443.107     280.769     723.876   9.67 0.000 1.000 0.182 0.351    4020.100     300.000      13.022    4 
-    980000        9800.00     518.680     205.032     723.712   7.49 0.000 1.000 0.236 0.367    4705.736     300.000       9.078    4 
-    990000        9900.00     443.070     281.328     724.397   9.26 0.071 0.000 0.136 4.756    4019.757     300.000      12.819    4 
-   1000000       10000.00     435.941     291.847     727.788   8.73 0.071 0.750 0.159 0.144    3955.082     300.000      11.945    4 
+         0           0.00      27.807     -51.451     -23.644   2.26 0.786 0.476 0.357 0.199     252.275     300.000       6.690    4 
+     10000         100.00      21.648     -45.291     -23.643   2.27 0.714 0.444 0.255 0.042     196.405     300.000       6.653    4 
+     20000         200.00      22.135     -45.777     -23.642   2.41 0.500 0.462 0.322 0.060     200.821     300.000       6.730    4 
+     30000         300.00      23.888     -47.530     -23.642   1.67 0.714 0.333 0.288 0.043     216.725     300.000       6.953    4 
+     40000         400.00      24.784     -48.427     -23.643   2.20 0.500 0.562 0.384 0.073     224.855     300.000       6.502    4 
+     50000         500.00      23.070     -46.713     -23.643   2.06 0.500 0.500 0.312 0.055     209.303     300.000       6.522    4 
+     60000         600.00      26.917     -50.560     -23.643   1.99 0.571 0.600 0.298 0.054     244.206     300.000       6.447    4 
+     70000         700.00      26.705     -50.348     -23.642   1.97 0.429 0.500 0.292 0.075     242.285     300.000       6.564    4 
+     80000         800.00      23.710     -47.350     -23.640   2.47 0.643 0.500 0.268 0.041     215.107     300.000       6.752    4 
+     90000         900.00      27.427     -51.067     -23.640   1.87 0.429 0.500 0.333 0.059     248.829     300.000       6.852    4 
+    100000        1000.00      26.970     -50.612     -23.641   2.32 0.714 0.286 0.221 0.078     244.687     300.000       6.483    4 
+    110000        1100.00      34.051     -57.693     -23.642   3.17 0.429 0.625 0.321 0.066     308.929     300.000       6.729    4 
+    120000        1200.00      25.476     -49.117     -23.640   2.98 0.429 0.625 0.216 0.047     231.135     300.000       6.861    4 
+    130000        1300.00      25.937     -49.576     -23.639   3.44 0.429 0.600 0.227 0.061     235.314     300.000       6.620    4 
+    140000        1400.00      24.504     -48.146     -23.642   3.11 0.500 0.632 0.289 0.070     222.310     300.000       6.599    4 
+    150000        1500.00      24.543     -48.186     -23.642   3.65 0.214 0.700 0.223 0.089     222.671     300.000       7.057    4 
+    160000        1600.00      21.448     -45.088     -23.639   2.82 0.357 0.615 0.210 0.069     194.588     300.000       6.889    4 
+    170000        1700.00      23.902     -47.541     -23.639   3.25 0.500 0.588 0.262 0.049     216.852     300.000       6.708    4 
+    180000        1800.00      25.940     -49.581     -23.641   2.35 0.357 0.615 0.350 0.037     235.341     300.000       6.688    4 
+    190000        1900.00      24.086     -47.727     -23.642   3.16 0.429 0.500 0.223 0.086     218.519     300.000       6.868    4 
+    200000        2000.00      24.986     -48.627     -23.641   3.59 0.214 0.750 0.326 0.092     226.686     300.000       6.835    4 
+    210000        2100.00      24.322     -47.964     -23.642   3.82 0.286 0.692 0.262 0.053     220.662     300.000       6.973    4 
+    220000        2200.00      25.555     -49.196     -23.641   3.64 0.286 0.765 0.289 0.067     231.848     300.000       6.823    4 
+    230000        2300.00      30.081     -53.724     -23.643   3.09 0.500 0.533 0.294 0.050     272.908     300.000       6.849    4 
+    240000        2400.00      31.282     -54.924     -23.642   3.87 0.143 0.857 0.299 0.037     283.807     300.000       6.683    4 
+    250000        2500.00      24.324     -47.966     -23.642   3.11 0.429 0.571 0.367 0.072     220.679     300.000       6.869    4 
+    260000        2600.00      29.743     -53.386     -23.643   3.18 0.357 0.667 0.318 0.053     269.848     300.000       6.589    4 
+    270000        2700.00      25.992     -49.634     -23.642   3.58 0.429 0.647 0.334 0.048     235.813     300.000       6.581    4 
+    280000        2800.00      21.118     -44.760     -23.642   2.99 0.500 0.462 0.301 0.048     191.592     300.000       6.820    4 
+    290000        2900.00      24.606     -48.248     -23.643   4.17 0.286 0.714 0.409 0.118     223.235     300.000       6.469    4 
+    300000        3000.00      32.962     -56.604     -23.642   3.60 0.429 0.600 0.324 0.078     299.051     300.000       6.403    4 
+    310000        3100.00      23.567     -47.208     -23.641   4.10 0.286 0.765 0.358 0.070     213.809     300.000       6.729    4 
+    320000        3200.00      24.017     -47.658     -23.641   3.50 0.286 0.692 0.311 0.030     217.895     300.000       6.504    4 
+    330000        3300.00      30.427     -54.069     -23.642   3.95 0.214 0.800 0.336 0.073     276.051     300.000       6.478    4 
+    340000        3400.00      26.008     -49.650     -23.642   4.69 0.286 0.778 0.333 0.073     235.958     300.000       6.892    4 
+    350000        3500.00      33.079     -56.720     -23.642   4.96 0.357 0.722 0.386 0.067     300.106     300.000       6.604    4 
+    360000        3600.00      28.717     -52.358     -23.641   4.75 0.214 0.800 0.394 0.103     260.531     300.000       6.678    4 
+    370000        3700.00      26.658     -50.299     -23.641   3.93 0.286 0.765 0.412 0.059     241.852     300.000       6.504    4 
+    380000        3800.00      29.050     -52.690     -23.640   3.86 0.286 0.636 0.310 0.060     263.557     300.000       6.900    4 
+    390000        3900.00      27.280     -50.922     -23.641   4.30 0.357 0.667 0.312 0.064     247.500     300.000       6.543    4 
+    400000        4000.00      25.467     -49.110     -23.643   4.51 0.357 0.615 0.311 0.071     231.051     300.000       6.787    4 
+    410000        4100.00      29.858     -53.501     -23.643   4.57 0.357 0.706 0.404 0.053     270.887     300.000       6.757    4 
+    420000        4200.00      29.935     -53.579     -23.644   4.63 0.286 0.714 0.328 0.087     271.586     300.000       6.791    4 
+    430000        4300.00      26.255     -49.897     -23.642   4.01 0.286 0.667 0.386 0.122     238.197     300.000       6.818    4 
+    440000        4400.00      24.783     -48.424     -23.641   4.13 0.429 0.625 0.406 0.072     224.841     300.000       6.591    4 
+    450000        4500.00      27.419     -51.061     -23.642   3.79 0.429 0.571 0.266 0.049     248.763     300.000       6.571    4 
+    460000        4600.00      29.444     -53.087     -23.644   4.12 0.286 0.600 0.364 0.067     267.130     300.000       6.664    4 
+    470000        4700.00      28.322     -51.963     -23.641   4.05 0.286 0.636 0.413 0.077     256.949     300.000       6.809    4 
+    480000        4800.00      26.102     -49.744     -23.641   3.74 0.286 0.667 0.360 0.077     236.813     300.000       6.917    4 
+    490000        4900.00      25.157     -48.797     -23.641   3.65 0.286 0.714 0.321 0.066     228.233     300.000       6.890    4 
+    500000        5000.00      27.499     -51.141     -23.642   2.72 0.357 0.500 0.382 0.063     249.485     300.000       6.960    4 
+    510000        5100.00      26.815     -50.456     -23.641   3.54 0.357 0.688 0.366 0.052     243.279     300.000       6.618    4 
+    520000        5200.00      23.529     -47.170     -23.640   3.96 0.429 0.647 0.241 0.071     213.471     300.000       6.538    4 
+    530000        5300.00      31.034     -54.678     -23.644   3.42 0.500 0.562 0.261 0.064     281.561     300.000       6.536    4 
+    540000        5400.00      26.052     -49.694     -23.642   3.89 0.286 0.636 0.264 0.048     236.361     300.000       6.836    4 
+    550000        5500.00      29.554     -53.196     -23.643   3.27 0.357 0.615 0.325 0.073     268.126     300.000       6.573    4 
+    560000        5600.00      20.570     -44.210     -23.640   2.79 0.286 0.556 0.288 0.075     186.622     300.000       6.751    4 
+    570000        5700.00      27.616     -51.258     -23.642   3.05 0.571 0.467 0.306 0.042     250.550     300.000       7.001    4 
+    580000        5800.00      23.268     -46.909     -23.640   3.29 0.571 0.579 0.297 0.043     211.104     300.000       6.399    4 
+    590000        5900.00      27.172     -50.813     -23.641   2.85 0.429 0.500 0.261 0.050     246.520     300.000       6.660    4 
+    600000        6000.00      33.994     -57.636     -23.642   3.63 0.500 0.632 0.292 0.051     308.409     300.000       6.476    4 
+    610000        6100.00      26.390     -50.031     -23.641   3.24 0.429 0.571 0.331 0.061     239.424     300.000       6.775    4 
+    620000        6200.00      22.988     -46.629     -23.641   3.25 0.429 0.600 0.297 0.046     208.560     300.000       6.675    4 
+    630000        6300.00      23.277     -46.917     -23.640   3.91 0.429 0.625 0.312 0.034     211.184     300.000       6.695    4 
+    640000        6400.00      29.090     -52.732     -23.642   2.91 0.500 0.417 0.239 0.092     263.923     300.000       6.331    4 
+    650000        6500.00      24.019     -47.661     -23.642   3.74 0.357 0.643 0.286 0.060     217.917     300.000       6.593    4 
+    660000        6600.00      27.022     -50.662     -23.640   2.97 0.286 0.714 0.312 0.075     245.154     300.000       6.420    4 
+    670000        6700.00      24.252     -47.894     -23.642   2.97 0.357 0.667 0.327 0.066     220.031     300.000       6.671    4 
+    680000        6800.00      22.526     -46.167     -23.641   3.50 0.286 0.636 0.384 0.066     204.368     300.000       6.801    4 
+    690000        6900.00      26.676     -50.318     -23.642   3.64 0.286 0.714 0.403 0.081     242.020     300.000       6.652    4 
+    700000        7000.00      28.813     -52.455     -23.642   3.04 0.500 0.562 0.312 0.086     261.405     300.000       6.378    4 
+    710000        7100.00      22.109     -45.750     -23.641   3.30 0.500 0.611 0.306 0.056     200.588     300.000       6.347    4 
+    720000        7200.00      25.030     -48.671     -23.641   3.09 0.357 0.688 0.349 0.055     227.084     300.000       6.737    4 
+    730000        7300.00      24.545     -48.186     -23.641   2.97 0.571 0.529 0.299 0.050     222.684     300.000       6.876    4 
+    740000        7400.00      25.825     -49.467     -23.641   2.79 0.429 0.571 0.299 0.051     234.300     300.000       6.700    4 
+    750000        7500.00      28.213     -51.855     -23.642   3.37 0.357 0.667 0.361 0.059     255.962     300.000       6.554    4 
+    760000        7600.00      23.961     -47.602     -23.641   2.89 0.500 0.500 0.282 0.034     217.386     300.000       6.739    4 
+    770000        7700.00      23.627     -47.268     -23.642   3.21 0.571 0.529 0.332 0.098     214.354     300.000       6.456    4 
+    780000        7800.00      28.511     -52.153     -23.641   2.70 0.357 0.667 0.312 0.066     258.670     300.000       6.818    4 
+    790000        7900.00      27.577     -51.221     -23.643   3.87 0.429 0.625 0.341 0.072     250.196     300.000       6.312    4 
+    800000        8000.00      22.515     -46.156     -23.641   3.39 0.500 0.588 0.329 0.104     204.264     300.000       6.446    4 
+    810000        8100.00      23.655     -47.296     -23.641   3.39 0.286 0.636 0.310 0.077     214.609     300.000       6.639    4 
+    820000        8200.00      26.130     -49.772     -23.642   3.11 0.429 0.571 0.325 0.047     237.062     300.000       6.719    4 
+    830000        8300.00      22.221     -45.861     -23.640   3.19 0.357 0.667 0.370 0.037     201.603     300.000       6.506    4 
+    840000        8400.00      25.700     -49.341     -23.640   3.52 0.357 0.706 0.326 0.034     233.168     300.000       6.569    4 
+    850000        8500.00      29.186     -52.828     -23.642   3.49 0.286 0.714 0.357 0.088     264.790     300.000       6.476    4 
+    860000        8600.00      23.063     -46.703     -23.640   3.35 0.357 0.737 0.390 0.059     209.237     300.000       6.439    4 
+    870000        8700.00      25.876     -49.519     -23.643   2.89 0.357 0.688 0.352 0.049     234.759     300.000       6.649    4 
+    880000        8800.00      17.392     -41.031     -23.639   2.64 0.286 0.714 0.338 0.021     157.788     300.000       6.989    4 
+    890000        8900.00      26.368     -50.009     -23.641   3.25 0.357 0.667 0.397 0.055     239.228     300.000       6.536    4 
+    900000        9000.00      27.157     -50.799     -23.642   3.14 0.571 0.529 0.337 0.047     246.385     300.000       6.606    4 
+    910000        9100.00      27.048     -50.690     -23.642   3.09 0.214 0.727 0.269 0.048     245.397     300.000       6.947    4 
+    920000        9200.00      27.629     -51.270     -23.641   3.19 0.357 0.643 0.315 0.058     250.666     300.000       6.951    4 
+    930000        9300.00      21.467     -45.108     -23.641   3.37 0.286 0.667 0.292 0.040     194.762     300.000       6.859    4 
+    940000        9400.00      23.689     -47.329     -23.640   3.03 0.357 0.667 0.364 0.051     214.920     300.000       6.705    4 
+    950000        9500.00      27.033     -50.674     -23.641   3.56 0.214 0.727 0.339 0.042     245.255     300.000       6.784    4 
+    960000        9600.00      23.300     -46.939     -23.639   2.96 0.357 0.643 0.338 0.066     211.392     300.000       6.553    4 
+    970000        9700.00      25.112     -48.752     -23.641   3.27 0.357 0.643 0.344 0.036     227.825     300.000       6.804    4 
+    980000        9800.00      26.281     -49.924     -23.642   3.53 0.429 0.600 0.352 0.051     238.439     300.000       6.641    4 
+    990000        9900.00      25.430     -49.072     -23.641   3.52 0.286 0.750 0.384 0.085     230.718     300.000       6.489    4 
+   1000000       10000.00      25.049     -48.690     -23.641   2.98 0.357 0.615 0.353 0.054     227.255     300.000       6.890    4 
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB005.stat b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB005.stat
index fe4bb60..b939015 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB005.stat
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB005.stat
@@ -1,101 +1,101 @@
-         0           0.00      34.712     662.810     697.522   0.00 1.000 0.000 0.308 8.660     314.929     300.000       7.001    5 
-     10000         100.00     412.596     283.560     696.156   9.07 0.000 1.000 0.136 0.250    3743.285     300.000      11.640    5 
-     20000         200.00     476.867     219.275     696.142   8.46 0.000   NaN   NaN 0.250    4326.381     300.000      10.558    5 
-     30000         300.00     411.689     284.436     696.125   8.01 0.071 0.000 0.136 0.279    3735.052     300.000      12.084    5 
-     40000         400.00     470.982     225.095     696.077   8.03 0.000   NaN   NaN 0.352    4272.991     300.000       9.222    5 
-     50000         500.00     487.631     208.744     696.376   4.78 0.071 0.667 0.242 0.291    4424.045     300.000       9.437    5 
-     60000         600.00     435.614     260.313     695.927   6.73 0.071 0.500 0.136 0.248    3952.117     300.000       9.718    5 
-     70000         700.00     426.962     268.613     695.575   7.95 0.071 0.667 0.167 0.280    3873.617     300.000      11.106    5 
-     80000         800.00     443.090     252.690     695.780   6.79 0.071 0.500 0.159 0.246    4019.944     300.000      11.079    5 
-     90000         900.00     456.898     238.826     695.725   4.84 0.143 0.600 0.164 0.160    4145.217     300.000       8.041    5 
-    100000        1000.00     481.372     213.959     695.331   8.54 0.000 1.000 0.136 0.249    4367.255     300.000      12.339    5 
-    110000        1100.00     472.656     227.522     700.178   6.33 0.000 1.000 0.136 0.283    4288.182     300.000      10.574    5 
-    120000        1200.00     460.715     239.291     700.006   7.51 0.000   NaN   NaN 0.137    4179.846     300.000      10.194    5 
-    130000        1300.00     461.847     238.267     700.114   7.80 0.071 0.500 0.136 0.335    4190.112     300.000      11.336    5 
-    140000        1400.00     473.385     226.931     700.316   5.84 0.000   NaN   NaN 0.173    4294.793     300.000       9.699    5 
-    150000        1500.00     412.636     292.668     705.304   7.53 0.071 0.500 0.136 0.261    3743.643     300.000       8.669    5 
-    160000        1600.00     431.624     273.588     705.212   8.08 0.000   NaN   NaN 0.203    3915.917     300.000      11.961    5 
-    170000        1700.00     451.332     252.332     703.664   7.31 0.143 0.000 0.159 0.271    4094.717     300.000      11.049    5 
-    180000        1800.00     441.262     260.365     701.627   9.62 0.000 1.000 0.136 0.250    4003.353     300.000      12.508    5 
-    190000        1900.00     488.342     212.773     701.114   5.66 0.000 1.000 0.212 0.240    4430.488     300.000       9.152    5 
-    200000        2000.00     390.200     310.812     701.012   8.63 0.000 1.000 0.170 0.354    3540.094     300.000      11.662    5 
-    210000        2100.00     491.502     209.573     701.075   5.67 0.000 1.000 0.136 0.295    4459.161     300.000      10.496    5 
-    220000        2200.00     395.593     305.508     701.102   4.81 0.000 1.000 0.152 0.264    3589.025     300.000       7.891    5 
-    230000        2300.00     473.037     228.956     701.993   7.53 0.000   NaN   NaN 0.311    4291.639     300.000      10.243    5 
-    240000        2400.00     493.077     208.390     701.467   6.80 0.071 0.750 0.148 0.315    4473.447     300.000      10.166    5 
-    250000        2500.00     406.782     293.088     699.869   5.97 0.000   NaN   NaN 0.292    3690.534     300.000       9.953    5 
-    260000        2600.00     472.215     227.729     699.944   5.47 0.000   NaN   NaN 0.162    4284.181     300.000      10.143    5 
-    270000        2700.00     484.195     215.270     699.465   5.86 0.000   NaN   NaN 0.144    4392.867     300.000      10.031    5 
-    280000        2800.00     448.136     252.797     700.934   8.72 0.143 0.500 0.159 0.288    4065.723     300.000      10.670    5 
-    290000        2900.00     428.989     271.622     700.611   7.36 0.000 1.000 0.258 0.347    3892.009     300.000       9.879    5 
-    300000        3000.00     427.293     268.217     695.510  10.11 0.000   NaN   NaN 0.276    3876.627     300.000      14.060    5 
-    310000        3100.00     485.316     210.390     695.707   7.14 0.000 1.000 0.136 0.406    4403.041     300.000      11.195    5 
-    320000        3200.00     464.827     231.376     696.204   8.49 0.000 1.000 0.136 0.255    4217.153     300.000      11.377    5 
-    330000        3300.00     392.176     305.762     697.938   8.66 0.000 1.000 0.136 0.264    3558.021     300.000      12.204    5 
-    340000        3400.00     418.491     279.515     698.006   6.30 0.071 0.000 0.136 0.156    3796.768     300.000       9.494    5 
-    350000        3500.00     476.620     221.823     698.443   8.58 0.000 1.000 0.182 0.311    4324.145     300.000      11.477    5 
-    360000        3600.00     465.183     234.630     699.813   6.75 0.000   NaN   NaN 0.167    4220.377     300.000      10.007    5 
-    370000        3700.00     483.195     217.818     701.013   6.34 0.000 1.000 0.182 0.331    4383.794     300.000      10.479    5 
-    380000        3800.00     428.818     272.703     701.521   5.36 0.071 0.500 0.159 0.207    3890.456     300.000       8.419    5 
-    390000        3900.00     518.455     182.172     700.626   6.05 0.071 0.750 0.170 0.153    4703.690     300.000      10.795    5 
-    400000        4000.00     370.765     328.746     699.511   5.62 0.000   NaN   NaN 0.235    3363.770     300.000      10.239    5 
-    410000        4100.00     479.719     219.499     699.218   7.29 0.143 0.500 0.227 0.392    4352.263     300.000      10.255    5 
-    420000        4200.00     481.183     217.853     699.036   6.11 0.071 0.857 0.214 0.233    4365.544     300.000       9.030    5 
-    430000        4300.00     400.863     298.868     699.732   8.06 0.000   NaN   NaN 0.139    3636.840     300.000      12.647    5 
-    440000        4400.00     443.608     252.770     696.378   6.18 0.000 1.000 0.250 0.383    4024.639     300.000       9.789    5 
-    450000        4500.00     466.000     230.369     696.368   8.29 0.000   NaN   NaN 0.158    4227.791     300.000      11.574    5 
-    460000        4600.00     503.105     193.378     696.482   7.87 0.000 1.000 0.182 0.440    4564.428     300.000       9.560    5 
-    470000        4700.00     384.818     311.973     696.790   7.15 0.000 1.000 0.136 0.329    3491.263     300.000      11.099    5 
-    480000        4800.00     421.907     272.967     694.874   7.47 0.000 1.000 0.159 0.562    3827.760     300.000       9.648    5 
-    490000        4900.00     456.981     237.572     694.554   7.10 0.000   NaN   NaN 0.297    4145.971     300.000      10.134    5 
-    500000        5000.00     421.929     272.163     694.092   6.41 0.143 0.333 0.182 0.202    3827.954     300.000      10.342    5 
-    510000        5100.00     441.761     252.316     694.076   9.46 0.000   NaN   NaN 0.574    4007.880     300.000      11.999    5 
-    520000        5200.00     481.417     212.768     694.186   4.74 0.071 0.000 0.136 0.293    4367.665     300.000       9.042    5 
-    530000        5300.00     433.723     260.375     694.098   6.99 0.071 0.000 0.182 0.205    3934.958     300.000      10.424    5 
-    540000        5400.00     443.777     247.942     691.719   7.19 0.000   NaN   NaN 0.136    4026.171     300.000      11.420    5 
-    550000        5500.00     445.179     246.809     691.988   6.21 0.000 1.000 0.182 0.364    4038.896     300.000      10.277    5 
-    560000        5600.00     468.307     223.834     692.141   9.55 0.143 0.333 0.182 0.641    4248.721     300.000      10.970    5 
-    570000        5700.00     450.082     241.778     691.860   8.67 0.071 0.500 0.136 0.120    4083.381     300.000      11.911    5 
-    580000        5800.00     462.507     229.014     691.522   5.64 0.000   NaN   NaN 0.325    4196.105     300.000      10.211    5 
-    590000        5900.00     397.645     293.576     691.222   6.79 0.000   NaN   NaN 0.162    3607.644     300.000      11.506    5 
-    600000        6000.00     426.583     264.066     690.649   7.16 0.000   NaN   NaN 0.347    3870.179     300.000      11.624    5 
-    610000        6100.00     406.713     283.265     689.978   5.77 0.000   NaN   NaN 0.543    3689.909     300.000       9.642    5 
-    620000        6200.00     478.703     212.222     690.925   7.88 0.000   NaN   NaN 0.270    4343.039     300.000      10.988    5 
-    630000        6300.00     429.081     262.032     691.113   5.28 0.071 0.500 0.205 0.494    3892.847     300.000       9.253    5 
-    640000        6400.00     479.388     210.444     689.832   7.67 0.000 1.000 0.409 0.573    4349.253     300.000      10.087    5 
-    650000        6500.00     492.082     197.438     689.519   9.01 0.000 1.000 0.136 0.374    4464.419     300.000      12.872    5 
-    660000        6600.00     464.339     226.540     690.879   5.24 0.000   NaN   NaN 0.302    4212.719     300.000       9.301    5 
-    670000        6700.00     392.167     299.380     691.547   6.39 0.000 1.000 0.159 0.275    3557.942     300.000      10.852    5 
-    680000        6800.00     415.565     275.360     690.925   6.28 0.000 1.000 0.182 0.288    3770.223     300.000      10.844    5 
-    690000        6900.00     444.632     246.743     691.375   5.34 0.000 1.000 0.409 0.344    4033.932     300.000       8.914    5 
-    700000        7000.00     459.596     230.904     690.500   8.88 0.000 1.000 0.136 0.254    4169.693     300.000      12.777    5 
-    710000        7100.00     414.466     275.365     689.831   7.03 0.000 1.000 0.209 0.547    3760.251     300.000       8.504    5 
-    720000        7200.00     440.842     248.829     689.671   7.76 0.143 0.333 0.182 0.195    3999.542     300.000      11.062    5 
-    730000        7300.00     403.203     286.279     689.482   8.81 0.000 1.000 0.167 0.355    3658.068     300.000      11.806    5 
-    740000        7400.00     437.846     251.675     689.521   6.45 0.000   NaN   NaN 0.176    3972.367     300.000      10.790    5 
-    750000        7500.00     475.942     213.863     689.805  10.73 0.000 1.000 0.159 0.337    4317.994     300.000      14.583    5 
-    760000        7600.00     376.881     314.367     691.248   7.85 0.000   NaN   NaN 0.280    3419.260     300.000      10.012    5 
-    770000        7700.00     495.891     195.816     691.707   8.45 0.000 1.000 0.159 0.184    4498.975     300.000      12.332    5 
-    780000        7800.00     428.749     263.300     692.049   8.52 0.000 1.000 0.136 0.173    3889.836     300.000      12.252    5 
-    790000        7900.00     461.214     230.799     692.013   6.74 0.071 0.000 0.136 0.298    4184.371     300.000       9.853    5 
-    800000        8000.00     457.058     235.443     692.501   7.86 0.071 0.500 0.159 0.312    4146.669     300.000      11.731    5 
-    810000        8100.00     462.549     232.927     695.475   8.58 0.071 0.667 0.152 0.257    4196.481     300.000      11.437    5 
-    820000        8200.00     484.756     210.851     695.607   6.48 0.000 1.000 0.364 0.256    4397.957     300.000       9.474    5 
-    830000        8300.00     430.305     265.370     695.675   8.56 0.000 1.000 0.182 0.170    3903.946     300.000      11.675    5 
-    840000        8400.00     397.253     297.984     695.237   4.79 0.000 1.000 0.182 0.238    3604.084     300.000       8.788    5 
-    850000        8500.00     424.977     270.170     695.147  10.31 0.000 1.000 0.136 0.303    3855.612     300.000      13.284    5 
-    860000        8600.00     457.460     237.442     694.902   7.98 0.000 1.000 0.136 0.197    4150.318     300.000      11.446    5 
-    870000        8700.00     435.179     259.816     694.995   6.83 0.071 0.667 0.182 0.209    3948.169     300.000      10.851    5 
-    880000        8800.00     448.112     246.659     694.772   8.34 0.000 1.000 0.136 0.357    4065.508     300.000      12.462    5 
-    890000        8900.00     360.026     334.633     694.659   4.73 0.000 1.000 0.136 0.192    3266.341     300.000       9.256    5 
-    900000        9000.00     471.838     223.197     695.035   9.85 0.000   NaN   NaN 0.278    4280.758     300.000      12.137    5 
-    910000        9100.00     483.009     212.426     695.435   6.91 0.000   NaN   NaN 0.236    4382.105     300.000      11.933    5 
-    920000        9200.00     481.466     214.391     695.857   5.50 0.000 1.000 0.159 0.245    4368.111     300.000      10.241    5 
-    930000        9300.00     430.084     265.595     695.679   9.40 0.000   NaN   NaN 0.196    3901.948     300.000      13.686    5 
-    940000        9400.00     451.878     244.122     696.000   4.93 0.000 1.000 0.182 0.473    4099.673     300.000       9.161    5 
-    950000        9500.00     516.922     179.059     695.981  10.88 0.000   NaN   NaN 0.173    4689.782     300.000      14.240    5 
-    960000        9600.00     450.306     245.328     695.634   7.80 0.000   NaN   NaN 0.200    4085.408     300.000      10.973    5 
-    970000        9700.00     460.860     229.465     690.325   8.90 0.071 0.500 0.136 0.207    4181.164     300.000      11.814    5 
-    980000        9800.00     507.195     182.980     690.175   6.90 0.000   NaN   NaN 0.434    4601.536     300.000      11.900    5 
-    990000        9900.00     468.310     221.848     690.158  11.17 0.071 0.500 0.136 0.146    4248.751     300.000      14.516    5 
-   1000000       10000.00     417.701     272.459     690.160   6.72 0.000 1.000 0.136 0.384    3789.596     300.000      10.685    5 
+         0           0.00      34.243     -51.451     -17.207   2.26 0.786 0.476 0.357 0.199     310.672     300.000       6.690    5 
+     10000         100.00      30.138     -47.343     -17.205   1.83 0.571 0.385 0.283 0.047     273.431     300.000       7.064    5 
+     20000         200.00      32.212     -49.417     -17.205   2.02 0.571 0.467 0.255 0.035     292.245     300.000       6.858    5 
+     30000         300.00      30.174     -47.379     -17.205   2.65 0.429 0.571 0.237 0.071     273.751     300.000       6.850    5 
+     40000         400.00      26.789     -43.993     -17.203   3.64 0.357 0.643 0.289 0.081     243.045     300.000       6.856    5 
+     50000         500.00      31.721     -48.925     -17.204   3.95 0.357 0.722 0.313 0.051     287.790     300.000       6.682    5 
+     60000         600.00      30.579     -47.784     -17.205   3.23 0.214 0.769 0.416 0.060     277.426     300.000       6.667    5 
+     70000         700.00      26.659     -43.865     -17.205   2.61 0.214 0.667 0.253 0.107     241.866     300.000       6.985    5 
+     80000         800.00      31.231     -48.435     -17.204   3.29 0.357 0.667 0.358 0.045     283.342     300.000       6.662    5 
+     90000         900.00      27.601     -44.806     -17.205   4.06 0.357 0.583 0.390 0.058     250.413     300.000       6.859    5 
+    100000        1000.00      29.999     -47.203     -17.204   3.02 0.500 0.533 0.306 0.045     272.168     300.000       6.674    5 
+    110000        1100.00      26.574     -43.779     -17.205   2.48 0.429 0.538 0.374 0.060     241.093     300.000       7.100    5 
+    120000        1200.00      29.803     -47.010     -17.207   2.89 0.357 0.545 0.442 0.086     270.387     300.000       6.749    5 
+    130000        1300.00      27.922     -45.126     -17.205   3.24 0.429 0.600 0.255 0.054     253.319     300.000       6.824    5 
+    140000        1400.00      34.807     -52.012     -17.205   2.92 0.429 0.647 0.313 0.050     315.784     300.000       6.763    5 
+    150000        1500.00      32.650     -49.856     -17.206   3.29 0.357 0.545 0.397 0.027     296.214     300.000       6.743    5 
+    160000        1600.00      33.695     -50.903     -17.208   3.73 0.286 0.667 0.341 0.096     305.696     300.000       6.612    5 
+    170000        1700.00      27.049     -44.255     -17.206   3.32 0.429 0.455 0.281 0.063     245.401     300.000       6.920    5 
+    180000        1800.00      29.916     -47.123     -17.208   3.08 0.571 0.500 0.315 0.084     271.412     300.000       6.507    5 
+    190000        1900.00      32.181     -49.387     -17.206   2.84 0.500 0.500 0.383 0.029     291.964     300.000       6.758    5 
+    200000        2000.00      28.144     -45.350     -17.206   2.83 0.429 0.538 0.325 0.045     255.337     300.000       6.704    5 
+    210000        2100.00      28.236     -45.443     -17.207   3.95 0.429 0.625 0.435 0.066     256.172     300.000       6.594    5 
+    220000        2200.00      29.506     -46.712     -17.206   3.35 0.429 0.538 0.367 0.066     267.692     300.000       6.802    5 
+    230000        2300.00      29.108     -46.314     -17.206   3.49 0.357 0.667 0.324 0.048     264.080     300.000       6.546    5 
+    240000        2400.00      26.641     -43.845     -17.205   4.11 0.429 0.647 0.449 0.069     241.697     300.000       6.507    5 
+    250000        2500.00      31.548     -48.755     -17.207   4.02 0.429 0.600 0.306 0.106     286.216     300.000       6.361    5 
+    260000        2600.00      28.394     -45.600     -17.207   3.76 0.500 0.632 0.392 0.121     257.605     300.000       6.472    5 
+    270000        2700.00      29.511     -46.716     -17.205   4.05 0.357 0.643 0.432 0.103     267.739     300.000       6.425    5 
+    280000        2800.00      29.987     -47.194     -17.207   4.22 0.500 0.632 0.404 0.072     272.056     300.000       6.312    5 
+    290000        2900.00      30.172     -47.379     -17.207   3.60 0.429 0.500 0.394 0.082     273.733     300.000       6.336    5 
+    300000        3000.00      27.668     -44.875     -17.207   3.99 0.429 0.647 0.484 0.078     251.015     300.000       6.305    5 
+    310000        3100.00      27.999     -45.204     -17.205   4.28 0.357 0.688 0.429 0.079     254.018     300.000       6.421    5 
+    320000        3200.00      31.315     -48.523     -17.208   3.79 0.500 0.632 0.435 0.084     284.104     300.000       6.374    5 
+    330000        3300.00      31.955     -49.163     -17.207   4.05 0.429 0.700 0.450 0.143     289.915     300.000       6.045    5 
+    340000        3400.00      32.298     -49.504     -17.206   3.98 0.357 0.750 0.475 0.081     293.025     300.000       6.285    5 
+    350000        3500.00      26.337     -43.542     -17.205   4.06 0.286 0.778 0.396 0.081     238.945     300.000       6.245    5 
+    360000        3600.00      33.951     -51.160     -17.209   3.97 0.500 0.650 0.357 0.081     308.023     300.000       6.295    5 
+    370000        3700.00      32.257     -49.465     -17.208   3.94 0.429 0.625 0.401 0.083     292.652     300.000       6.312    5 
+    380000        3800.00      30.248     -47.459     -17.210   3.67 0.429 0.600 0.376 0.064     274.429     300.000       6.314    5 
+    390000        3900.00      34.591     -51.799     -17.208   4.15 0.500 0.588 0.406 0.050     313.828     300.000       6.289    5 
+    400000        4000.00      33.982     -51.192     -17.210   3.98 0.643 0.550 0.370 0.089     308.302     300.000       6.094    5 
+    410000        4100.00      32.369     -49.580     -17.210   4.05 0.643 0.625 0.377 0.044     293.672     300.000       6.289    5 
+    420000        4200.00      30.071     -47.278     -17.207   3.91 0.500 0.650 0.423 0.103     272.815     300.000       6.293    5 
+    430000        4300.00      36.592     -53.801     -17.209   3.61 0.429 0.667 0.379 0.100     331.980     300.000       6.426    5 
+    440000        4400.00      31.736     -48.943     -17.208   3.35 0.571 0.500 0.347 0.120     287.924     300.000       6.688    5 
+    450000        4500.00      21.471     -38.677     -17.206   4.04 0.429 0.600 0.376 0.090     194.793     300.000       6.565    5 
+    460000        4600.00      30.802     -48.011     -17.210   3.48 0.500 0.562 0.332 0.060     279.451     300.000       6.407    5 
+    470000        4700.00      28.281     -45.491     -17.210   3.59 0.357 0.688 0.369 0.055     256.577     300.000       6.602    5 
+    480000        4800.00      28.636     -45.842     -17.206   3.65 0.500 0.611 0.369 0.064     259.800     300.000       6.479    5 
+    490000        4900.00      27.848     -45.056     -17.207   4.01 0.571 0.500 0.332 0.065     252.652     300.000       6.442    5 
+    500000        5000.00      31.270     -48.477     -17.207   3.73 0.500 0.632 0.411 0.063     283.698     300.000       6.490    5 
+    510000        5100.00      31.357     -48.565     -17.208   3.94 0.286 0.750 0.372 0.090     284.485     300.000       6.638    5 
+    520000        5200.00      26.362     -43.568     -17.206   4.20 0.214 0.800 0.373 0.086     239.173     300.000       6.567    5 
+    530000        5300.00      26.581     -43.787     -17.206   3.75 0.214 0.769 0.371 0.065     241.160     300.000       6.530    5 
+    540000        5400.00      30.156     -47.361     -17.205   3.83 0.357 0.667 0.394 0.057     273.591     300.000       6.412    5 
+    550000        5500.00      28.221     -45.426     -17.204   3.86 0.286 0.692 0.360 0.078     256.039     300.000       6.352    5 
+    560000        5600.00      28.553     -45.757     -17.204   4.09 0.429 0.684 0.414 0.088     259.045     300.000       6.210    5 
+    570000        5700.00      30.772     -47.976     -17.204   4.13 0.571 0.579 0.414 0.090     279.180     300.000       6.215    5 
+    580000        5800.00      27.465     -44.668     -17.203   4.12 0.429 0.667 0.407 0.068     249.173     300.000       6.236    5 
+    590000        5900.00      30.748     -47.951     -17.203   4.00 0.286 0.750 0.466 0.041     278.964     300.000       6.558    5 
+    600000        6000.00      32.638     -49.842     -17.204   3.35 0.571 0.333 0.330 0.035     296.109     300.000       6.760    5 
+    610000        6100.00      29.210     -46.414     -17.204   2.81 0.357 0.643 0.390 0.075     265.010     300.000       6.802    5 
+    620000        6200.00      22.709     -39.913     -17.204   2.80 0.643 0.400 0.348 0.061     206.029     300.000       6.640    5 
+    630000        6300.00      27.107     -44.311     -17.204   3.49 0.286 0.750 0.321 0.040     245.927     300.000       7.025    5 
+    640000        6400.00      33.080     -50.284     -17.204   3.22 0.357 0.643 0.321 0.052     300.121     300.000       6.768    5 
+    650000        6500.00      27.563     -44.766     -17.202   2.93 0.357 0.583 0.364 0.093     250.069     300.000       6.705    5 
+    660000        6600.00      25.279     -42.483     -17.204   3.36 0.429 0.600 0.324 0.067     229.340     300.000       6.753    5 
+    670000        6700.00      30.210     -47.413     -17.203   3.03 0.571 0.529 0.337 0.078     274.085     300.000       6.712    5 
+    680000        6800.00      28.270     -45.473     -17.203   3.66 0.429 0.647 0.388 0.068     256.477     300.000       6.764    5 
+    690000        6900.00      30.322     -47.527     -17.204   3.60 0.429 0.455 0.285 0.113     275.101     300.000       6.982    5 
+    700000        7000.00      33.320     -50.525     -17.205   3.01 0.429 0.538 0.290 0.090     302.297     300.000       6.731    5 
+    710000        7100.00      29.365     -46.569     -17.204   3.11 0.429 0.571 0.393 0.067     266.411     300.000       6.564    5 
+    720000        7200.00      31.446     -48.650     -17.204   3.99 0.286 0.714 0.380 0.053     285.297     300.000       6.672    5 
+    730000        7300.00      32.463     -49.667     -17.204   4.08 0.429 0.667 0.422 0.067     294.524     300.000       6.605    5 
+    740000        7400.00      28.331     -45.534     -17.203   3.99 0.286 0.750 0.420 0.073     257.033     300.000       6.419    5 
+    750000        7500.00      26.442     -43.646     -17.204   3.51 0.429 0.571 0.373 0.078     239.892     300.000       6.473    5 
+    760000        7600.00      32.242     -49.446     -17.204   2.81 0.357 0.444 0.293 0.088     292.519     300.000       7.027    5 
+    770000        7700.00      28.930     -46.133     -17.203   3.19 0.429 0.600 0.409 0.041     262.467     300.000       6.630    5 
+    780000        7800.00      31.581     -48.786     -17.205   3.18 0.429 0.600 0.309 0.098     286.521     300.000       6.740    5 
+    790000        7900.00      22.467     -39.669     -17.202   2.82 0.357 0.667 0.288 0.045     203.833     300.000       6.842    5 
+    800000        8000.00      28.012     -45.217     -17.205   4.05 0.286 0.733 0.397 0.061     254.140     300.000       6.746    5 
+    810000        8100.00      28.256     -45.459     -17.203   3.73 0.286 0.667 0.379 0.081     256.351     300.000       6.617    5 
+    820000        8200.00      33.032     -50.236     -17.205   3.97 0.286 0.600 0.373 0.036     299.680     300.000       6.258    5 
+    830000        8300.00      31.620     -48.825     -17.205   3.92 0.500 0.500 0.393 0.077     286.870     300.000       6.770    5 
+    840000        8400.00      29.147     -46.351     -17.204   4.01 0.286 0.692 0.423 0.034     264.432     300.000       6.569    5 
+    850000        8500.00      28.748     -45.953     -17.205   3.82 0.357 0.643 0.406 0.068     260.814     300.000       6.357    5 
+    860000        8600.00      32.701     -49.908     -17.207   4.26 0.429 0.538 0.371 0.088     296.680     300.000       6.658    5 
+    870000        8700.00      23.658     -40.861     -17.204   4.56 0.214 0.727 0.364 0.065     214.634     300.000       6.989    5 
+    880000        8800.00      28.629     -45.833     -17.204   4.34 0.214 0.727 0.438 0.117     259.738     300.000       6.443    5 
+    890000        8900.00      27.436     -44.640     -17.203   4.12 0.286 0.765 0.364 0.069     248.917     300.000       6.275    5 
+    900000        9000.00      26.317     -43.522     -17.204   3.98 0.286 0.714 0.318 0.066     238.766     300.000       6.347    5 
+    910000        9100.00      30.165     -47.369     -17.204   3.50 0.286 0.636 0.372 0.070     273.668     300.000       6.414    5 
+    920000        9200.00      30.336     -47.540     -17.204   3.84 0.286 0.692 0.409 0.075     275.225     300.000       6.506    5 
+    930000        9300.00      26.201     -43.406     -17.205   4.67 0.286 0.692 0.409 0.083     237.709     300.000       6.489    5 
+    940000        9400.00      25.587     -42.792     -17.205   4.45 0.214 0.824 0.337 0.050     232.137     300.000       6.380    5 
+    950000        9500.00      29.965     -47.171     -17.205   3.72 0.357 0.667 0.455 0.060     271.862     300.000       6.296    5 
+    960000        9600.00      27.491     -44.696     -17.205   3.97 0.286 0.789 0.421 0.054     249.412     300.000       6.226    5 
+    970000        9700.00      28.401     -45.606     -17.205   3.67 0.214 0.800 0.461 0.046     257.668     300.000       6.323    5 
+    980000        9800.00      27.155     -44.360     -17.205   3.68 0.071 0.900 0.405 0.041     246.368     300.000       6.453    5 
+    990000        9900.00      25.467     -42.673     -17.206   3.71 0.357 0.706 0.393 0.052     231.054     300.000       6.122    5 
+   1000000       10000.00      23.922     -41.127     -17.205   3.92 0.286 0.667 0.379 0.034     217.033     300.000       6.524    5 
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB006.stat b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB006.stat
index 1c01f78..bf46c41 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB006.stat
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB006.stat
@@ -1,101 +1,101 @@
-         0           0.00      35.031     662.810     697.840   0.00 1.000 0.000 0.308 8.660     317.817     300.000       7.001    6 
-     10000         100.00     465.195     231.543     696.738   5.01 0.071 0.500 0.159 0.413    4220.487     300.000       8.895    6 
-     20000         200.00     366.781     329.972     696.753   8.57 0.000 1.000 0.182 0.308    3327.623     300.000      11.908    6 
-     30000         300.00     401.416     294.878     696.295   4.89 0.000 1.000 0.659 0.342    3641.858     300.000       8.859    6 
-     40000         400.00     526.614     168.813     695.427   8.91 0.000 1.000 0.136 0.392    4777.713     300.000      11.957    6 
-     50000         500.00     448.855     247.020     695.876   4.04 0.000 1.000 0.205 0.203    4072.246     300.000       8.319    6 
-     60000         600.00     424.799     271.542     696.341   8.88 0.071 0.500 0.136 0.208    3853.999     300.000      11.814    6 
-     70000         700.00     424.469     271.769     696.238   6.05 0.000 1.000 0.182 0.176    3851.000     300.000       9.914    6 
-     80000         800.00     420.840     275.056     695.896   7.65 0.000   NaN   NaN 0.573    3818.074     300.000      11.281    6 
-     90000         900.00     331.704     364.366     696.069   9.58 0.071 0.000 0.136 0.162    3009.388     300.000      12.752    6 
-    100000        1000.00     453.379     242.583     695.963   4.64 0.071 0.500 0.523 0.375    4113.291     300.000       8.841    6 
-    110000        1100.00     445.288     251.160     696.448   7.15 0.000 1.000 0.136 0.222    4039.883     300.000      10.266    6 
-    120000        1200.00     459.705     237.722     697.428   8.18 0.000   NaN   NaN 0.208    4170.684     300.000      11.797    6 
-    130000        1300.00     412.360     284.876     697.237   6.35 0.000 1.000 0.261 0.193    3741.145     300.000       8.743    6 
-    140000        1400.00     457.513     240.678     698.191   6.45 0.143 0.333 0.136 0.292    4150.793     300.000      10.017    6 
-    150000        1500.00     500.055     201.297     701.352   5.99 0.000 1.000 0.136 0.359    4536.758     300.000      10.037    6 
-    160000        1600.00     409.447     292.054     701.500   9.51 0.143 0.500 0.148 0.267    3714.710     300.000      11.724    6 
-    170000        1700.00     408.113     293.387     701.501   9.45 0.071 0.000 0.136 0.172    3702.616     300.000      12.764    6 
-    180000        1800.00     485.210     216.226     701.436   5.07 0.000   NaN   NaN 0.355    4402.072     300.000       9.362    6 
-    190000        1900.00     433.439     267.237     700.676   6.23 0.143 0.000 0.136 0.284    3932.385     300.000       9.820    6 
-    200000        2000.00     463.198     237.112     700.311   6.80 0.071 0.500 0.182 0.241    4202.375     300.000      10.342    6 
-    210000        2100.00     419.740     280.590     700.330   5.52 0.000 1.000 0.159 0.226    3808.098     300.000       9.546    6 
-    220000        2200.00     448.731     252.282     701.013   8.97 0.071 0.667 0.152 0.247    4071.121     300.000      12.736    6 
-    230000        2300.00     436.901     263.933     700.834   6.50 0.071 0.667 0.242 0.220    3963.794     300.000      10.150    6 
-    240000        2400.00     454.505     248.599     703.103   6.06 0.000 1.000 0.182 0.245    4123.502     300.000       9.497    6 
-    250000        2500.00     433.901     269.104     703.005   7.77 0.000 1.000 0.182 0.232    3936.571     300.000      10.851    6 
-    260000        2600.00     352.813     350.647     703.459   5.38 0.071 0.000 0.136 0.174    3200.899     300.000       9.869    6 
-    270000        2700.00     381.603     321.608     703.211   8.63 0.000   NaN   NaN 0.261    3462.098     300.000      11.952    6 
-    280000        2800.00     414.885     288.180     703.065   8.89 0.000 1.000 0.205 0.166    3764.054     300.000      11.145    6 
-    290000        2900.00     456.729     248.005     704.733   8.71 0.071 0.000 0.136 0.165    4143.679     300.000      13.022    6 
-    300000        3000.00     439.990     264.687     704.677   9.34 0.000 1.000 0.182 0.344    3991.816     300.000      12.097    6 
-    310000        3100.00     479.610     225.348     704.957   7.35 0.000 1.000 0.159 0.332    4351.267     300.000      10.924    6 
-    320000        3200.00     465.711     239.310     705.021   9.79 0.000 1.000 0.182 0.456    4225.171     300.000      13.077    6 
-    330000        3300.00     416.962     289.859     706.821   8.29 0.000 1.000 0.136 0.220    3782.891     300.000      11.224    6 
-    340000        3400.00     484.692     222.248     706.940   7.46 0.071 0.500 0.136 0.207    4397.377     300.000      10.051    6 
-    350000        3500.00     495.298     211.490     706.788  10.22 0.071 0.000 0.136 0.353    4493.596     300.000      13.694    6 
-    360000        3600.00     408.000     300.680     708.679   7.81 0.000 1.000 0.227 0.316    3701.583     300.000       8.899    6 
-    370000        3700.00     461.401     247.240     708.641   5.05 0.000 1.000 0.152 0.198    4186.065     300.000       9.006    6 
-    380000        3800.00     415.946     292.409     708.355   9.00 0.000 1.000 0.273 0.137    3773.678     300.000      12.587    6 
-    390000        3900.00     452.284     255.703     707.987   5.97 0.071 0.500 0.136 0.131    4103.354     300.000       9.903    6 
-    400000        4000.00     451.711     254.512     706.223   9.64 0.071 0.500 0.205 0.334    4098.151     300.000      11.456    6 
-    410000        4100.00     531.366     174.534     705.900   6.12 0.000   NaN   NaN 0.567    4820.822     300.000      10.166    6 
-    420000        4200.00     408.536     297.877     706.413   7.52 0.000 1.000 0.136 0.472    3706.453     300.000      11.336    6 
-    430000        4300.00     436.993     269.433     706.426   8.32 0.000   NaN   NaN 0.545    3964.623     300.000      11.153    6 
-    440000        4400.00     433.526     272.666     706.192   8.10 0.000 1.000 0.227 0.403    3933.174     300.000      11.351    6 
-    450000        4500.00     480.988     225.289     706.277   8.14 0.000   NaN   NaN 0.225    4363.773     300.000      12.178    6 
-    460000        4600.00     450.130     255.594     705.725   7.17 0.000   NaN   NaN 0.117    4083.815     300.000       9.068    6 
-    470000        4700.00     446.944     260.878     707.822   8.42 0.000 1.000 0.136 0.181    4054.906     300.000      10.497    6 
-    480000        4800.00     398.903     308.128     707.032   8.06 0.071 0.667 0.136 0.223    3619.056     300.000      11.601    6 
-    490000        4900.00     408.493     298.450     706.943   9.85 0.000   NaN   NaN 0.289    3706.060     300.000      14.150    6 
-    500000        5000.00     464.710     246.513     711.223   8.35 0.000 1.000 0.227 0.192    4216.091     300.000      11.636    6 
-    510000        5100.00     426.328     286.186     712.514   5.32 0.071 0.500 0.136 0.282    3867.864     300.000       9.369    6 
-    520000        5200.00     431.122     281.431     712.553   6.95 0.000   NaN   NaN 0.165    3911.361     300.000      11.476    6 
-    530000        5300.00     461.487     250.412     711.899   8.25 0.000 1.000 0.136 0.261    4186.847     300.000      10.219    6 
-    540000        5400.00     448.888     263.368     712.256   9.59 0.000 1.000 0.136 0.328    4072.543     300.000      12.726    6 
-    550000        5500.00     489.722     222.597     712.319   6.70 0.000 1.000 0.205 0.184    4443.009     300.000      10.441    6 
-    560000        5600.00     378.804     333.432     712.236   5.73 0.000 1.000 0.205 0.188    3436.709     300.000       8.776    6 
-    570000        5700.00     516.709     195.349     712.058   7.11 0.071 0.500 0.205 0.409    4687.850     300.000      10.520    6 
-    580000        5800.00     462.260     255.254     717.513   5.56 0.000   NaN   NaN 0.408    4193.858     300.000       9.864    6 
-    590000        5900.00     473.441     240.304     713.745   9.42 0.000   NaN   NaN 0.212    4295.301     300.000      13.666    6 
-    600000        6000.00     410.936     303.550     714.487   5.35 0.000 1.000 0.136 0.412    3728.226     300.000       8.921    6 
-    610000        6100.00     435.598     277.757     713.356  10.02 0.071 0.500 0.182 0.373    3951.975     300.000      12.935    6 
-    620000        6200.00     416.781     296.909     713.690   7.02 0.000 1.000 0.136 0.185    3781.253     300.000      11.075    6 
-    630000        6300.00     410.131     303.581     713.712   5.19 0.000 1.000 0.727 0.391    3720.919     300.000       8.475    6 
-    640000        6400.00     424.144     289.619     713.763   7.75 0.071 0.000 0.136 0.386    3848.051     300.000      11.617    6 
-    650000        6500.00     478.558     235.382     713.940   6.18 0.000 1.000 0.136 0.263    4341.721     300.000      10.478    6 
-    660000        6600.00     457.019     259.796     716.815   4.93 0.071 0.750 0.159 0.297    4146.312     300.000       9.133    6 
-    670000        6700.00     444.834     271.774     716.607   8.02 0.000 1.000 0.136 0.561    4035.762     300.000      11.583    6 
-    680000        6800.00     440.775     275.726     716.501   4.95 0.000   NaN   NaN 0.409    3998.937     300.000       8.813    6 
-    690000        6900.00     491.281     225.314     716.595   9.03 0.071 0.000 0.136 0.220    4457.152     300.000      12.759    6 
-    700000        7000.00     449.122     266.434     715.556   9.52 0.071 0.500 0.136 0.368    4074.670     300.000      11.753    6 
-    710000        7100.00     486.317     229.119     715.436   9.47 0.000 1.000 0.205 0.198    4412.115     300.000      12.874    6 
-    720000        7200.00     495.803     236.560     732.363   7.34 0.000 1.000 0.136 0.400    4498.179     300.000      10.444    6 
-    730000        7300.00     478.911     254.570     733.481   5.65 0.143 0.500 0.205 0.311    4344.932     300.000       9.774    6 
-    740000        7400.00     447.932     284.729     732.661   9.26 0.000 1.000 0.303 0.216    4063.870     300.000      11.228    6 
-    750000        7500.00     451.253     281.228     732.481   4.90 0.071 0.000 0.136 0.257    4094.001     300.000       9.546    6 
-    760000        7600.00     471.261     260.848     732.109   8.76 0.000 1.000 0.136 0.396    4275.526     300.000      10.373    6 
-    770000        7700.00     476.051     258.260     734.312   5.29 0.000 1.000 0.636 0.249    4318.985     300.000       8.065    6 
-    780000        7800.00     463.123     270.240     733.363  11.35 0.000   NaN   NaN 0.296    4201.689     300.000      14.876    6 
-    790000        7900.00     492.633     240.647     733.279  11.59 0.000   NaN   NaN 0.287    4469.417     300.000      14.669    6 
-    800000        8000.00     489.808     243.652     733.460   5.49 0.143 0.333 0.167 0.356    4443.792     300.000       9.487    6 
-    810000        8100.00     480.187     257.299     737.487   6.39 0.000 1.000 0.295 0.244    4356.509     300.000       9.202    6 
-    820000        8200.00     513.973     223.901     737.875   7.76 0.000   NaN   NaN 0.255    4663.030     300.000       9.924    6 
-    830000        8300.00     484.715     248.107     732.821   8.36 0.000 1.000 0.136 0.172    4397.582     300.000      11.825    6 
-    840000        8400.00     478.780     251.261     730.041   6.07 0.000   NaN   NaN 0.210    4343.738     300.000       9.747    6 
-    850000        8500.00     454.005     275.867     729.872   7.16 0.071 0.667 0.167 0.166    4118.964     300.000      10.912    6 
-    860000        8600.00     451.650     277.366     729.017   8.94 0.000   NaN   NaN 0.130    4097.603     300.000      11.319    6 
-    870000        8700.00     500.792     228.303     729.095   7.38 0.071 0.800 0.309 0.215    4543.441     300.000      10.349    6 
-    880000        8800.00     442.777     286.993     729.769   6.91 0.000 1.000 0.159 0.296    4017.099     300.000       8.892    6 
-    890000        8900.00     521.670     205.269     726.939  10.20 0.000   NaN   NaN 0.303    4732.860     300.000      14.045    6 
-    900000        9000.00     532.622     194.314     726.937   7.75 0.000 1.000 0.205 0.391    4832.224     300.000      10.098    6 
-    910000        9100.00     576.947     149.145     726.092  12.71 0.000   NaN   NaN 0.191    5234.358     300.000      15.697    6 
-    920000        9200.00     500.759     225.091     725.850   5.49 0.000 1.000 0.136 0.191    4543.142     300.000       8.564    6 
-    930000        9300.00     535.613     190.324     725.936   8.38 0.071 0.500 0.136 0.288    4859.354     300.000      10.855    6 
-    940000        9400.00     520.557     205.426     725.983   6.06 0.071 0.750 0.159 0.290    4722.761     300.000       8.362    6 
-    950000        9500.00     452.953     272.949     725.903  10.84 0.000 1.000 0.136 0.241    4109.424     300.000      13.778    6 
-    960000        9600.00     533.025     194.157     727.182   6.18 0.000   NaN   NaN 0.292    4835.878     300.000       9.250    6 
-    970000        9700.00     467.252     261.251     728.502   6.77 0.143 0.333 0.182 0.178    4239.148     300.000      11.268    6 
-    980000        9800.00     511.934     216.807     728.741  10.11 0.000 1.000 0.136 0.195    4644.532     300.000      12.517    6 
-    990000        9900.00     444.477     283.616     728.093   7.73 0.071 0.833 0.167 0.197    4032.522     300.000       9.834    6 
-   1000000       10000.00     472.097     256.448     728.545   5.45 0.000   NaN   NaN 0.370    4283.109     300.000      10.470    6 
+         0           0.00      34.714     -51.451     -16.737   2.26 0.786 0.476 0.357 0.199     314.941     300.000       6.690    6 
+     10000         100.00      24.178     -40.915     -16.737   1.64 0.571 0.333 0.307 0.051     219.356     300.000       6.819    6 
+     20000         200.00      28.523     -45.260     -16.737   1.87 0.571 0.429 0.325 0.069     258.776     300.000       6.828    6 
+     30000         300.00      30.317     -47.055     -16.738   2.45 0.571 0.429 0.276 0.069     275.049     300.000       6.542    6 
+     40000         400.00      28.801     -45.538     -16.737   2.50 0.643 0.400 0.261 0.057     261.301     300.000       6.347    6 
+     50000         500.00      30.782     -47.519     -16.737   2.03 0.643 0.438 0.287 0.055     279.267     300.000       6.847    6 
+     60000         600.00      33.764     -50.503     -16.739   1.97 0.786 0.389 0.354 0.072     306.327     300.000       6.656    6 
+     70000         700.00      25.975     -42.713     -16.738   1.98 0.643 0.438 0.426 0.130     235.658     300.000       6.878    6 
+     80000         800.00      26.585     -43.320     -16.736   1.96 0.357 0.444 0.217 0.020     241.189     300.000       7.188    6 
+     90000         900.00      32.713     -49.451     -16.737   2.52 0.500 0.533 0.248 0.045     296.793     300.000       6.616    6 
+    100000        1000.00      29.202     -45.939     -16.737   3.11 0.286 0.556 0.308 0.076     264.939     300.000       6.697    6 
+    110000        1100.00      22.761     -39.497     -16.736   2.22 0.571 0.529 0.297 0.055     206.502     300.000       7.185    6 
+    120000        1200.00      24.429     -41.167     -16.737   2.47 0.429 0.455 0.310 0.122     221.636     300.000       6.671    6 
+    130000        1300.00      28.771     -45.508     -16.737   3.56 0.286 0.600 0.268 0.064     261.028     300.000       6.908    6 
+    140000        1400.00      27.367     -44.103     -16.736   3.42 0.143 0.846 0.378 0.070     248.291     300.000       6.838    6 
+    150000        1500.00      30.941     -47.679     -16.738   3.82 0.214 0.727 0.273 0.136     280.714     300.000       6.756    6 
+    160000        1600.00      27.816     -44.552     -16.736   3.44 0.429 0.500 0.311 0.062     252.363     300.000       6.804    6 
+    170000        1700.00      30.451     -47.187     -16.736   3.16 0.357 0.667 0.306 0.041     276.264     300.000       6.871    6 
+    180000        1800.00      26.428     -43.165     -16.737   2.62 0.429 0.455 0.244 0.032     239.773     300.000       6.784    6 
+    190000        1900.00      27.729     -44.464     -16.736   3.12 0.500 0.632 0.323 0.075     251.569     300.000       6.467    6 
+    200000        2000.00      28.736     -45.473     -16.737   4.03 0.357 0.667 0.333 0.063     260.705     300.000       6.557    6 
+    210000        2100.00      28.842     -45.580     -16.738   3.04 0.214 0.812 0.364 0.104     261.668     300.000       6.413    6 
+    220000        2200.00      31.299     -48.035     -16.736   2.66 0.286 0.667 0.250 0.034     283.958     300.000       6.818    6 
+    230000        2300.00      26.936     -43.673     -16.737   2.41 0.500 0.533 0.215 0.046     244.377     300.000       6.825    6 
+    240000        2400.00      25.154     -41.889     -16.736   2.34 0.429 0.400 0.232 0.070     228.208     300.000       6.875    6 
+    250000        2500.00      26.056     -42.792     -16.736   2.43 0.429 0.571 0.250 0.051     236.396     300.000       6.928    6 
+    260000        2600.00      28.842     -45.576     -16.734   1.88 0.571 0.500 0.278 0.048     261.670     300.000       6.791    6 
+    270000        2700.00      22.958     -39.693     -16.735   3.65 0.143 0.778 0.288 0.049     208.284     300.000       7.135    6 
+    280000        2800.00      28.674     -45.410     -16.735   3.05 0.286 0.556 0.303 0.053     260.146     300.000       7.294    6 
+    290000        2900.00      26.939     -43.676     -16.737   3.35 0.357 0.706 0.297 0.080     244.407     300.000       6.921    6 
+    300000        3000.00      29.127     -45.864     -16.737   3.44 0.286 0.692 0.332 0.071     264.259     300.000       6.858    6 
+    310000        3100.00      21.691     -38.427     -16.736   3.63 0.286 0.600 0.277 0.055     196.795     300.000       7.460    6 
+    320000        3200.00      26.936     -43.673     -16.736   3.53 0.357 0.375 0.222 0.055     244.378     300.000       7.391    6 
+    330000        3300.00      25.848     -42.584     -16.736   3.56 0.286 0.636 0.339 0.065     234.503     300.000       7.405    6 
+    340000        3400.00      25.490     -42.227     -16.737   3.25 0.214 0.727 0.260 0.057     231.262     300.000       6.678    6 
+    350000        3500.00      27.672     -44.410     -16.738   3.62 0.286 0.667 0.258 0.065     251.051     300.000       6.956    6 
+    360000        3600.00      28.487     -45.223     -16.736   3.67 0.286 0.636 0.343 0.077     258.446     300.000       7.218    6 
+    370000        3700.00      30.376     -47.117     -16.740   3.05 0.357 0.615 0.381 0.101     275.591     300.000       6.760    6 
+    380000        3800.00      28.699     -45.435     -16.736   3.49 0.357 0.615 0.346 0.059     260.373     300.000       6.948    6 
+    390000        3900.00      31.637     -48.378     -16.740   3.30 0.357 0.583 0.352 0.084     287.030     300.000       6.718    6 
+    400000        4000.00      30.534     -47.273     -16.739   3.44 0.357 0.545 0.231 0.089     277.021     300.000       6.980    6 
+    410000        4100.00      28.300     -45.037     -16.737   3.53 0.286 0.692 0.339 0.100     256.751     300.000       6.838    6 
+    420000        4200.00      27.712     -44.449     -16.737   3.01 0.357 0.500 0.255 0.052     251.415     300.000       6.785    6 
+    430000        4300.00      32.732     -49.469     -16.737   3.70 0.214 0.667 0.348 0.057     296.964     300.000       6.941    6 
+    440000        4400.00      28.287     -45.024     -16.737   3.40 0.429 0.571 0.331 0.053     256.632     300.000       6.513    6 
+    450000        4500.00      24.447     -41.184     -16.737   3.86 0.286 0.600 0.295 0.082     221.794     300.000       7.077    6 
+    460000        4600.00      27.626     -44.364     -16.738   3.61 0.571 0.529 0.334 0.057     250.633     300.000       6.824    6 
+    470000        4700.00      21.673     -38.409     -16.736   3.14 0.429 0.571 0.315 0.036     196.630     300.000       6.937    6 
+    480000        4800.00      27.044     -43.780     -16.736   2.61 0.357 0.500 0.186 0.049     245.358     300.000       7.369    6 
+    490000        4900.00      28.658     -45.396     -16.738   3.18 0.429 0.400 0.173 0.039     260.004     300.000       7.734    6 
+    500000        5000.00      25.439     -42.175     -16.737   3.84 0.357 0.545 0.256 0.054     230.792     300.000       7.085    6 
+    510000        5100.00      31.350     -48.088     -16.738   3.53 0.357 0.615 0.350 0.078     284.426     300.000       6.689    6 
+    520000        5200.00      31.431     -48.169     -16.738   4.26 0.357 0.615 0.367 0.039     285.163     300.000       6.613    6 
+    530000        5300.00      31.107     -47.843     -16.736   3.83 0.286 0.733 0.324 0.096     282.216     300.000       6.920    6 
+    540000        5400.00      27.730     -44.466     -16.736   3.83 0.286 0.636 0.368 0.075     251.579     300.000       6.815    6 
+    550000        5500.00      25.462     -42.198     -16.736   4.19 0.357 0.643 0.364 0.051     231.006     300.000       6.761    6 
+    560000        5600.00      27.269     -44.007     -16.738   3.40 0.286 0.733 0.327 0.113     247.400     300.000       6.730    6 
+    570000        5700.00      35.303     -52.040     -16.736   3.10 0.429 0.538 0.325 0.069     320.292     300.000       6.568    6 
+    580000        5800.00      29.461     -46.197     -16.736   3.70 0.429 0.600 0.258 0.048     267.290     300.000       6.783    6 
+    590000        5900.00      33.373     -50.110     -16.737   2.68 0.357 0.643 0.334 0.087     302.780     300.000       6.587    6 
+    600000        6000.00      25.910     -42.647     -16.737   4.15 0.357 0.545 0.314 0.093     235.067     300.000       6.754    6 
+    610000        6100.00      29.067     -45.803     -16.736   3.19 0.357 0.667 0.306 0.107     263.708     300.000       6.682    6 
+    620000        6200.00      31.823     -48.559     -16.736   3.77 0.357 0.583 0.360 0.110     288.713     300.000       6.986    6 
+    630000        6300.00      29.545     -46.280     -16.735   3.62 0.214 0.727 0.281 0.063     268.047     300.000       6.792    6 
+    640000        6400.00      28.226     -44.961     -16.735   2.67 0.500 0.533 0.342 0.044     256.078     300.000       6.822    6 
+    650000        6500.00      31.666     -48.402     -16.735   3.32 0.357 0.615 0.304 0.103     287.294     300.000       7.042    6 
+    660000        6600.00      29.967     -46.702     -16.735   3.97 0.286 0.667 0.280 0.038     271.876     300.000       7.132    6 
+    670000        6700.00      21.498     -38.232     -16.734   3.78 0.214 0.727 0.285 0.077     195.042     300.000       7.203    6 
+    680000        6800.00      29.931     -46.665     -16.734   4.37 0.286 0.692 0.308 0.043     271.548     300.000       6.858    6 
+    690000        6900.00      29.541     -46.275     -16.734   4.51 0.143 0.667 0.402 0.070     268.013     300.000       6.890    6 
+    700000        7000.00      28.008     -44.744     -16.736   3.44 0.429 0.538 0.301 0.082     254.102     300.000       7.187    6 
+    710000        7100.00      29.642     -46.379     -16.737   3.92 0.214 0.700 0.359 0.157     268.927     300.000       6.749    6 
+    720000        7200.00      28.812     -45.548     -16.736   3.80 0.500 0.588 0.388 0.111     261.399     300.000       6.346    6 
+    730000        7300.00      25.218     -41.950     -16.731   3.17 0.286 0.500 0.301 0.060     228.792     300.000       7.174    6 
+    740000        7400.00      26.728     -43.460     -16.731   3.32 0.357 0.500 0.268 0.037     242.494     300.000       6.904    6 
+    750000        7500.00      23.508     -40.237     -16.730   3.82 0.286 0.636 0.326 0.059     213.274     300.000       7.144    6 
+    760000        7600.00      32.441     -49.174     -16.733   3.89 0.357 0.688 0.335 0.114     294.324     300.000       6.425    6 
+    770000        7700.00      30.950     -47.682     -16.731   4.05 0.143 0.778 0.434 0.095     280.797     300.000       6.826    6 
+    780000        7800.00      29.493     -46.226     -16.733   3.64 0.357 0.667 0.300 0.040     267.572     300.000       6.855    6 
+    790000        7900.00      30.583     -47.314     -16.731   3.34 0.429 0.600 0.300 0.039     277.461     300.000       6.747    6 
+    800000        8000.00      34.097     -50.830     -16.733   3.77 0.429 0.625 0.270 0.083     309.349     300.000       6.786    6 
+    810000        8100.00      27.569     -44.301     -16.732   3.07 0.357 0.615 0.308 0.077     250.119     300.000       6.860    6 
+    820000        8200.00      24.287     -41.019     -16.732   3.55 0.429 0.600 0.224 0.075     220.347     300.000       6.882    6 
+    830000        8300.00      26.098     -42.830     -16.732   3.29 0.357 0.667 0.276 0.068     236.773     300.000       6.820    6 
+    840000        8400.00      35.110     -51.841     -16.731   3.71 0.357 0.722 0.331 0.168     318.538     300.000       6.611    6 
+    850000        8500.00      32.267     -49.001     -16.733   2.85 0.357 0.545 0.306 0.065     292.747     300.000       6.447    6 
+    860000        8600.00      35.126     -51.859     -16.733   3.88 0.286 0.750 0.341 0.106     318.679     300.000       6.686    6 
+    870000        8700.00      29.106     -45.837     -16.731   2.76 0.429 0.647 0.286 0.044     264.065     300.000       6.573    6 
+    880000        8800.00      28.755     -45.488     -16.733   2.83 0.500 0.500 0.299 0.063     260.882     300.000       6.690    6 
+    890000        8900.00      25.280     -42.015     -16.735   2.82 0.357 0.545 0.343 0.109     229.353     300.000       6.821    6 
+    900000        9000.00      24.545     -41.277     -16.733   3.02 0.500 0.462 0.280 0.081     222.681     300.000       6.785    6 
+    910000        9100.00      30.258     -46.991     -16.733   3.43 0.429 0.538 0.262 0.048     274.515     300.000       6.608    6 
+    920000        9200.00      30.544     -47.277     -16.733   3.62 0.286 0.667 0.303 0.022     277.108     300.000       7.112    6 
+    930000        9300.00      25.554     -42.288     -16.733   2.93 0.500 0.462 0.329 0.044     231.840     300.000       6.730    6 
+    940000        9400.00      28.139     -44.872     -16.733   3.59 0.214 0.700 0.355 0.065     255.292     300.000       6.872    6 
+    950000        9500.00      28.939     -45.673     -16.733   2.65 0.571 0.429 0.289 0.059     262.553     300.000       6.620    6 
+    960000        9600.00      24.752     -41.485     -16.733   2.03 0.500 0.417 0.280 0.064     224.564     300.000       6.919    6 
+    970000        9700.00      22.830     -39.562     -16.733   3.48 0.429 0.500 0.239 0.041     207.124     300.000       7.167    6 
+    980000        9800.00      33.588     -50.321     -16.733   3.72 0.357 0.615 0.259 0.071     304.725     300.000       7.023    6 
+    990000        9900.00      31.568     -48.301     -16.733   4.12 0.214 0.625 0.284 0.119     286.398     300.000       7.059    6 
+   1000000       10000.00      28.858     -45.592     -16.733   3.52 0.286 0.636 0.260 0.078     261.819     300.000       6.762    6 
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB007.stat b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB007.stat
index ab499eb..ff4b8fc 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB007.stat
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB007.stat
@@ -1,101 +1,101 @@
-         0           0.00      36.440     662.810     699.250   0.00 1.000 0.000 0.308 8.660     330.602     300.000       7.001    7 
-     10000         100.00     379.982     319.253     699.235   6.68 0.071 0.000 0.136 0.224    3447.391     300.000      10.161    7 
-     20000         200.00     473.848     224.906     698.753   9.90 0.000   NaN   NaN 0.292    4298.991     300.000      13.344    7 
-     30000         300.00     411.535     290.991     702.527   8.53 0.071 0.000 0.136 0.258    3733.661     300.000      11.606    7 
-     40000         400.00     492.969     208.831     701.800   5.84 0.000 1.000 0.159 0.441    4472.468     300.000       9.863    7 
-     50000         500.00     389.430     312.801     702.231   7.67 0.000 1.000 0.152 0.253    3533.111     300.000      11.310    7 
-     60000         600.00     418.916     283.318     702.234   8.89 0.071 0.000 0.182 0.228    3800.626     300.000      12.226    7 
-     70000         700.00     454.746     247.841     702.586   6.68 0.000 1.000 0.273 0.306    4125.687     300.000       8.642    7 
-     80000         800.00     495.726     207.948     703.673   8.53 0.071 0.500 0.159 0.435    4497.480     300.000      11.382    7 
-     90000         900.00     408.517     295.872     704.389   6.71 0.000 1.000 0.136 0.127    3706.273     300.000      10.671    7 
-    100000        1000.00     465.394     239.220     704.614   6.34 0.071 0.750 0.193 0.526    4222.297     300.000       9.343    7 
-    110000        1100.00     483.326     221.412     704.738   6.62 0.000   NaN   NaN 0.283    4384.979     300.000      10.156    7 
-    120000        1200.00     422.650     282.126     704.776   5.79 0.000 1.000 0.136 0.387    3834.495     300.000       9.946    7 
-    130000        1300.00     499.728     204.209     703.936   7.13 0.143 0.000 0.159 0.189    4533.787     300.000       8.664    7 
-    140000        1400.00     462.762     242.410     705.172   8.96 0.000 1.000 0.136 0.371    4198.418     300.000      12.296    7 
-    150000        1500.00     445.134     259.787     704.921   5.44 0.000 1.000 0.333 0.229    4038.488     300.000       8.157    7 
-    160000        1600.00     501.251     202.516     703.766  10.40 0.000   NaN   NaN 0.199    4547.607     300.000      13.378    7 
-    170000        1700.00     476.691     230.359     707.050   6.38 0.000 1.000 0.167 0.329    4324.784     300.000       9.839    7 
-    180000        1800.00     491.485     215.849     707.334   9.24 0.000 1.000 0.136 0.344    4459.009     300.000      12.429    7 
-    190000        1900.00     484.582     222.881     707.463   8.69 0.143 0.000 0.159 0.595    4396.377     300.000      12.216    7 
-    200000        2000.00     455.417     253.866     709.282   5.14 0.143 0.333 0.136 0.743    4131.774     300.000       9.758    7 
-    210000        2100.00     472.326     236.974     709.300   5.53 0.071 0.750 0.148 0.214    4285.185     300.000       9.350    7 
-    220000        2200.00     466.170     243.093     709.263   9.55 0.000 1.000 0.159 0.314    4229.337     300.000      12.124    7 
-    230000        2300.00     431.885     278.275     710.159   5.83 0.000   NaN   NaN 0.202    3918.280     300.000      10.835    7 
-    240000        2400.00     449.677     260.199     709.875   4.28 0.071 0.667 0.652 0.273    4079.700     300.000       7.601    7 
-    250000        2500.00     478.815     232.160     710.975   9.80 0.000   NaN   NaN 0.176    4344.061     300.000      13.354    7 
-    260000        2600.00     423.787     286.907     710.694   6.57 0.071 0.500 0.136 0.457    3844.811     300.000      11.194    7 
-    270000        2700.00     414.213     297.578     711.791   3.81 0.000 1.000 0.159 0.201    3757.952     300.000       8.693    7 
-    280000        2800.00     452.546     259.252     711.798   8.47 0.143 0.333 0.136 0.250    4105.729     300.000      11.253    7 
-    290000        2900.00     447.332     263.510     710.842   6.94 0.000 1.000 0.136 0.299    4058.431     300.000       9.896    7 
-    300000        3000.00     439.233     271.767     711.000   9.23 0.000 1.000 0.182 0.308    3984.952     300.000      11.869    7 
-    310000        3100.00     507.989     200.429     708.419   7.80 0.000 1.000 0.136 0.280    4608.741     300.000      11.946    7 
-    320000        3200.00     471.627     236.492     708.118   7.20 0.000 1.000 0.250 0.273    4278.842     300.000      10.156    7 
-    330000        3300.00     441.701     265.090     706.790   7.91 0.000   NaN   NaN 0.290    4007.338     300.000      13.058    7 
-    340000        3400.00     488.460     217.281     705.741   8.92 0.071 0.500 0.159 0.193    4431.563     300.000      11.746    7 
-    350000        3500.00     509.882     202.834     712.716   6.15 0.143 0.333 0.152 0.259    4625.911     300.000       9.288    7 
-    360000        3600.00     375.170     337.921     713.091   7.04 0.000 1.000 0.136 0.181    3403.740     300.000      11.082    7 
-    370000        3700.00     498.776     213.611     712.388   8.14 0.000   NaN   NaN 0.221    4525.158     300.000      12.570    7 
-    380000        3800.00     528.398     183.233     711.632   7.32 0.000 1.000 0.136 0.302    4793.902     300.000      10.065    7 
-    390000        3900.00     477.207     234.484     711.691   8.13 0.000   NaN   NaN 0.180    4329.471     300.000       9.458    7 
-    400000        4000.00     480.709     230.876     711.585   6.44 0.000 1.000 0.136 0.197    4361.242     300.000      10.761    7 
-    410000        4100.00     489.667     224.000     713.667   6.29 0.000 1.000 0.136 0.228    4442.509     300.000      10.254    7 
-    420000        4200.00     400.724     313.052     713.777   6.91 0.000 1.000 0.136 0.279    3635.579     300.000      11.081    7 
-    430000        4300.00     443.434     267.937     711.371  10.58 0.000 1.000 0.136 0.292    4023.065     300.000      13.991    7 
-    440000        4400.00     433.713     277.194     710.908   8.41 0.000   NaN   NaN 0.164    3934.873     300.000      11.244    7 
-    450000        4500.00     489.802     224.259     714.061   6.56 0.000   NaN   NaN 0.255    4443.733     300.000       9.161    7 
-    460000        4600.00     408.208     304.480     712.688   6.22 0.000 1.000 0.167 0.194    3703.474     300.000      10.683    7 
-    470000        4700.00     505.381     207.675     713.056   7.21 0.000   NaN   NaN 0.245    4585.079     300.000      11.276    7 
-    480000        4800.00     474.404     240.138     714.542   5.92 0.000   NaN   NaN 0.284    4304.036     300.000      10.210    7 
-    490000        4900.00     482.037     231.714     713.751   7.51 0.000   NaN   NaN 0.480    4373.287     300.000      11.217    7 
-    500000        5000.00     519.281     194.684     713.965   5.57 0.000   NaN   NaN 0.217    4711.187     300.000       9.706    7 
-    510000        5100.00     450.063     265.919     715.983   6.77 0.000   NaN   NaN 0.225    4083.207     300.000      11.652    7 
-    520000        5200.00     480.367     234.825     715.192   5.93 0.000 1.000 0.295 0.404    4358.136     300.000       7.940    7 
-    530000        5300.00     455.980     264.434     720.413   6.76 0.000 1.000 0.273 0.220    4136.883     300.000       9.867    7 
-    540000        5400.00     447.074     272.533     719.607   6.54 0.000 1.000 0.197 0.292    4056.087     300.000      10.794    7 
-    550000        5500.00     495.719     224.158     719.877   5.66 0.000 1.000 0.341 0.272    4497.416     300.000       8.811    7 
-    560000        5600.00     389.843     329.991     719.835   8.22 0.000   NaN   NaN 0.214    3536.861     300.000       9.922    7 
-    570000        5700.00     487.876     231.001     718.877   6.17 0.000 1.000 0.242 0.153    4426.260     300.000       9.677    7 
-    580000        5800.00     449.751     269.080     718.831   8.46 0.000 1.000 0.318 0.224    4080.375     300.000      10.995    7 
-    590000        5900.00     489.173     229.576     718.749   5.87 0.000   NaN   NaN 0.275    4438.027     300.000      11.006    7 
-    600000        6000.00     465.565     253.672     719.237   7.03 0.000 1.000 0.136 0.269    4223.848     300.000      11.091    7 
-    610000        6100.00     451.051     267.813     718.864   4.71 0.000 1.000 0.205 0.188    4092.170     300.000       8.170    7 
-    620000        6200.00     468.221     250.594     718.815   8.46 0.000 1.000 0.182 0.389    4247.947     300.000      11.315    7 
-    630000        6300.00     481.436     238.132     719.568   5.81 0.071 0.667 0.167 0.454    4367.832     300.000      10.083    7 
-    640000        6400.00     407.416     311.092     718.508   7.45 0.000   NaN   NaN 0.201    3696.290     300.000      11.356    7 
-    650000        6500.00     443.014     275.568     718.582   9.32 0.071 0.500 0.182 0.331    4019.249     300.000      11.195    7 
-    660000        6600.00     488.018     226.557     714.575   7.81 0.000 1.000 0.159 0.190    4427.553     300.000      10.740    7 
-    670000        6700.00     382.913     332.828     715.741   7.90 0.071 0.500 0.136 0.228    3473.984     300.000      10.661    7 
-    680000        6800.00     511.094     204.277     715.371   6.21 0.071 0.750 0.216 0.263    4636.910     300.000       8.296    7 
-    690000        6900.00     452.691     263.016     715.707   8.19 0.000 1.000 0.136 0.215    4107.046     300.000      11.737    7 
-    700000        7000.00     423.781     291.781     715.562   6.27 0.000 1.000 0.182 0.190    3844.761     300.000      10.236    7 
-    710000        7100.00     473.347     241.632     714.979   6.49 0.071 0.000 0.136 0.324    4294.446     300.000       9.676    7 
-    720000        7200.00     468.816     246.037     714.854  10.58 0.000   NaN   NaN 0.279    4253.344     300.000      13.593    7 
-    730000        7300.00     464.051     251.323     715.373   4.83 0.000   NaN   NaN 0.292    4210.108     300.000       8.710    7 
-    740000        7400.00     474.895     239.938     714.833   7.99 0.000 1.000 0.242 0.468    4308.495     300.000      11.929    7 
-    750000        7500.00     442.811     276.304     719.114   7.99 0.000   NaN   NaN 0.134    4017.409     300.000       9.408    7 
-    760000        7600.00     474.229     245.619     719.848   6.48 0.071 0.667 0.152 0.136    4302.455     300.000      10.713    7 
-    770000        7700.00     440.243     278.876     719.119   6.30 0.000   NaN   NaN 0.266    3994.108     300.000      10.685    7 
-    780000        7800.00     552.019     166.509     718.528   4.84 0.000 1.000 0.159 0.232    5008.203     300.000       9.184    7 
-    790000        7900.00     518.249     201.001     719.250   7.91 0.000 1.000 0.227 0.281    4701.822     300.000      12.656    7 
-    800000        8000.00     473.455     245.843     719.298   6.82 0.071 0.500 0.159 0.267    4295.430     300.000       9.984    7 
-    810000        8100.00     445.928     274.027     719.954   9.99 0.000   NaN   NaN 0.251    4045.687     300.000      12.686    7 
-    820000        8200.00     406.170     313.367     719.538   7.62 0.000 1.000 0.136 0.345    3684.986     300.000      10.697    7 
-    830000        8300.00     437.097     281.576     718.672   8.05 0.000 1.000 0.159 0.289    3965.568     300.000      10.379    7 
-    840000        8400.00     414.620     304.497     719.117   7.90 0.071 0.667 0.197 0.446    3761.643     300.000      11.053    7 
-    850000        8500.00     440.155     278.332     718.487   7.93 0.071 0.000 0.136 0.232    3993.315     300.000      10.116    7 
-    860000        8600.00     486.150     232.729     718.879   7.00 0.000 1.000 0.182 0.361    4410.603     300.000      10.938    7 
-    870000        8700.00     416.058     302.822     718.881   6.03 0.000   NaN   NaN 0.302    3774.698     300.000       9.719    7 
-    880000        8800.00     453.596     266.142     719.739   7.87 0.000   NaN   NaN 0.267    4115.262     300.000      11.551    7 
-    890000        8900.00     495.271     224.392     719.663   8.18 0.071 0.000 0.136 0.345    4493.354     300.000      10.960    7 
-    900000        9000.00     411.228     309.535     720.762   9.05 0.071 0.800 0.218 0.268    3730.869     300.000      11.169    7 
-    910000        9100.00     495.191     224.737     719.928   7.66 0.000 1.000 0.136 0.322    4492.626     300.000      10.965    7 
-    920000        9200.00     473.635     246.184     719.819   6.66 0.000 1.000 0.136 0.200    4297.063     300.000      10.305    7 
-    930000        9300.00     462.014     257.728     719.741  12.28 0.000   NaN   NaN 0.293    4191.626     300.000      15.937    7 
-    940000        9400.00     454.974     265.036     720.010   7.85 0.143 0.600 0.145 0.302    4127.762     300.000       9.778    7 
-    950000        9500.00     449.960     269.433     719.393   9.00 0.000   NaN   NaN 0.189    4082.267     300.000      12.186    7 
-    960000        9600.00     509.264     210.777     720.040   8.37 0.071 0.000 0.182 0.280    4620.302     300.000      12.140    7 
-    970000        9700.00     462.278     258.089     720.366   5.98 0.071 0.750 0.159 0.257    4194.021     300.000       9.597    7 
-    980000        9800.00     474.910     244.929     719.839   8.87 0.000 1.000 0.250 0.438    4308.628     300.000      12.147    7 
-    990000        9900.00     452.059     267.987     720.046   7.03 0.071 0.750 0.216 0.355    4101.308     300.000       9.342    7 
-   1000000       10000.00     454.875     265.889     720.764   9.57 0.071 0.500 0.205 0.377    4126.863     300.000      12.364    7 
+         0           0.00      38.789     -51.451     -12.661   2.26 0.786 0.476 0.357 0.199     351.916     300.000       6.690    7 
+     10000         100.00      31.064     -43.723     -12.659   1.63 0.500 0.562 0.310 0.096     281.824     300.000       6.683    7 
+     20000         200.00      33.617     -46.277     -12.660   2.51 0.500 0.364 0.339 0.073     304.991     300.000       6.894    7 
+     30000         300.00      31.358     -44.018     -12.660   2.63 0.357 0.444 0.197 0.077     284.495     300.000       7.011    7 
+     40000         400.00      26.130     -38.788     -12.659   1.69 0.500 0.500 0.302 0.099     237.063     300.000       6.673    7 
+     50000         500.00      32.523     -45.183     -12.660   2.78 0.429 0.600 0.297 0.050     295.065     300.000       6.748    7 
+     60000         600.00      31.053     -43.712     -12.660   2.69 0.357 0.615 0.343 0.042     281.725     300.000       6.780    7 
+     70000         700.00      30.549     -43.209     -12.660   3.20 0.357 0.688 0.295 0.072     277.160     300.000       6.481    7 
+     80000         800.00      30.259     -42.918     -12.659   2.91 0.500 0.562 0.324 0.034     274.525     300.000       6.554    7 
+     90000         900.00      33.298     -45.957     -12.659   3.17 0.357 0.688 0.358 0.093     302.099     300.000       6.560    7 
+    100000        1000.00      29.288     -41.948     -12.659   2.27 0.429 0.538 0.262 0.063     265.719     300.000       6.628    7 
+    110000        1100.00      29.161     -41.822     -12.661   2.31 0.429 0.500 0.277 0.079     264.566     300.000       6.722    7 
+    120000        1200.00      29.328     -41.988     -12.659   2.83 0.429 0.538 0.290 0.059     266.081     300.000       6.712    7 
+    130000        1300.00      29.972     -42.631     -12.660   2.74 0.500 0.588 0.238 0.054     271.918     300.000       6.516    7 
+    140000        1400.00      29.395     -42.054     -12.658   3.16 0.429 0.647 0.297 0.045     266.687     300.000       6.627    7 
+    150000        1500.00      28.899     -41.558     -12.659   2.15 0.571 0.467 0.230 0.065     262.191     300.000       6.959    7 
+    160000        1600.00      28.604     -41.263     -12.659   3.46 0.286 0.667 0.394 0.099     259.511     300.000       6.532    7 
+    170000        1700.00      34.764     -47.423     -12.659   2.96 0.500 0.632 0.371 0.056     315.395     300.000       6.539    7 
+    180000        1800.00      36.612     -49.274     -12.662   2.90 0.429 0.625 0.324 0.085     332.165     300.000       6.494    7 
+    190000        1900.00      27.224     -39.882     -12.658   3.71 0.357 0.722 0.361 0.068     246.992     300.000       6.626    7 
+    200000        2000.00      30.845     -43.507     -12.662   4.07 0.286 0.667 0.398 0.101     279.841     300.000       6.856    7 
+    210000        2100.00      35.038     -47.699     -12.661   3.79 0.286 0.692 0.371 0.147     317.884     300.000       6.544    7 
+    220000        2200.00      28.834     -41.493     -12.659   4.55 0.286 0.714 0.302 0.059     261.599     300.000       6.676    7 
+    230000        2300.00      29.069     -41.726     -12.657   3.48 0.357 0.545 0.347 0.050     263.728     300.000       6.577    7 
+    240000        2400.00      33.499     -46.159     -12.660   4.71 0.214 0.786 0.305 0.059     303.919     300.000       6.508    7 
+    250000        2500.00      27.574     -40.232     -12.658   4.38 0.214 0.727 0.314 0.049     250.164     300.000       6.698    7 
+    260000        2600.00      33.141     -45.800     -12.659   3.67 0.214 0.700 0.309 0.058     300.673     300.000       7.126    7 
+    270000        2700.00      31.290     -43.948     -12.658   3.66 0.429 0.538 0.322 0.055     283.875     300.000       6.853    7 
+    280000        2800.00      33.697     -46.354     -12.657   4.34 0.357 0.615 0.346 0.119     305.716     300.000       6.593    7 
+    290000        2900.00      25.900     -38.555     -12.656   3.54 0.357 0.615 0.402 0.062     234.974     300.000       6.540    7 
+    300000        3000.00      32.266     -44.922     -12.656   3.16 0.357 0.667 0.403 0.083     292.731     300.000       6.746    7 
+    310000        3100.00      29.215     -41.872     -12.657   3.31 0.429 0.571 0.312 0.082     265.055     300.000       7.019    7 
+    320000        3200.00      25.737     -38.392     -12.655   3.90 0.143 0.800 0.314 0.059     233.503     300.000       6.693    7 
+    330000        3300.00      30.270     -42.924     -12.654   3.03 0.429 0.571 0.383 0.050     274.626     300.000       6.639    7 
+    340000        3400.00      28.929     -41.586     -12.656   3.41 0.429 0.571 0.357 0.085     262.460     300.000       6.582    7 
+    350000        3500.00      35.277     -47.935     -12.658   2.97 0.429 0.571 0.380 0.097     320.051     300.000       6.845    7 
+    360000        3600.00      30.549     -43.203     -12.654   3.54 0.429 0.700 0.386 0.072     277.158     300.000       6.527    7 
+    370000        3700.00      34.800     -47.456     -12.657   3.57 0.500 0.632 0.395 0.104     315.719     300.000       6.470    7 
+    380000        3800.00      31.050     -43.706     -12.656   3.67 0.286 0.667 0.420 0.056     281.699     300.000       6.585    7 
+    390000        3900.00      36.280     -48.939     -12.658   3.77 0.357 0.643 0.448 0.054     329.153     300.000       6.599    7 
+    400000        4000.00      26.245     -38.900     -12.655   3.60 0.357 0.545 0.343 0.084     238.111     300.000       6.564    7 
+    410000        4100.00      30.005     -42.661     -12.657   4.75 0.286 0.692 0.472 0.068     272.217     300.000       6.508    7 
+    420000        4200.00      28.663     -41.317     -12.654   3.80 0.429 0.600 0.445 0.072     260.044     300.000       6.602    7 
+    430000        4300.00      26.860     -39.516     -12.656   3.81 0.357 0.722 0.414 0.065     243.690     300.000       6.649    7 
+    440000        4400.00      32.423     -45.077     -12.654   3.47 0.571 0.556 0.381 0.114     294.156     300.000       6.585    7 
+    450000        4500.00      34.043     -46.697     -12.653   3.24 0.357 0.667 0.303 0.059     308.860     300.000       6.609    7 
+    460000        4600.00      31.838     -44.492     -12.653   3.09 0.429 0.571 0.380 0.065     288.855     300.000       6.563    7 
+    470000        4700.00      32.419     -45.073     -12.653   2.59 0.429 0.625 0.369 0.084     294.125     300.000       6.727    7 
+    480000        4800.00      30.684     -43.336     -12.652   3.23 0.286 0.765 0.334 0.042     278.380     300.000       6.840    7 
+    490000        4900.00      34.628     -47.282     -12.653   3.68 0.286 0.714 0.269 0.049     314.166     300.000       6.747    7 
+    500000        5000.00      28.194     -40.845     -12.651   3.79 0.286 0.556 0.348 0.082     255.788     300.000       7.208    7 
+    510000        5100.00      26.164     -38.815     -12.651   3.68 0.214 0.727 0.322 0.062     237.375     300.000       6.994    7 
+    520000        5200.00      31.011     -43.662     -12.651   3.47 0.214 0.667 0.389 0.070     281.345     300.000       7.108    7 
+    530000        5300.00      28.483     -41.135     -12.652   4.45 0.286 0.692 0.346 0.059     258.409     300.000       6.697    7 
+    540000        5400.00      35.912     -48.565     -12.653   4.14 0.286 0.778 0.384 0.044     325.816     300.000       6.636    7 
+    550000        5500.00      33.169     -45.824     -12.655   3.78 0.357 0.583 0.330 0.094     300.924     300.000       6.938    7 
+    560000        5600.00      28.781     -41.433     -12.652   4.02 0.357 0.583 0.348 0.039     261.115     300.000       7.044    7 
+    570000        5700.00      34.529     -47.183     -12.654   4.21 0.286 0.714 0.321 0.106     313.266     300.000       6.603    7 
+    580000        5800.00      30.681     -43.334     -12.653   4.03 0.286 0.800 0.386 0.048     278.351     300.000       6.510    7 
+    590000        5900.00      30.194     -42.846     -12.653   4.14 0.357 0.667 0.339 0.073     273.932     300.000       6.813    7 
+    600000        6000.00      34.488     -47.141     -12.654   3.54 0.286 0.714 0.393 0.144     312.890     300.000       6.783    7 
+    610000        6100.00      26.288     -38.940     -12.652   4.00 0.214 0.625 0.330 0.091     238.500     300.000       7.210    7 
+    620000        6200.00      31.986     -44.641     -12.655   5.03 0.214 0.625 0.284 0.084     290.194     300.000       6.663    7 
+    630000        6300.00      29.208     -41.860     -12.653   4.05 0.357 0.615 0.332 0.052     264.986     300.000       6.926    7 
+    640000        6400.00      32.597     -45.251     -12.654   3.84 0.357 0.667 0.461 0.083     295.741     300.000       6.735    7 
+    650000        6500.00      33.912     -46.565     -12.653   4.30 0.357 0.737 0.409 0.036     307.663     300.000       6.358    7 
+    660000        6600.00      24.465     -37.117     -12.652   4.64 0.286 0.692 0.350 0.090     221.958     300.000       7.016    7 
+    670000        6700.00      28.691     -41.345     -12.654   4.24 0.429 0.538 0.360 0.100     260.300     300.000       6.691    7 
+    680000        6800.00      36.917     -49.571     -12.655   4.05 0.357 0.667 0.361 0.085     334.926     300.000       6.679    7 
+    690000        6900.00      31.491     -44.146     -12.655   4.25 0.286 0.714 0.367 0.096     285.699     300.000       6.690    7 
+    700000        7000.00      22.946     -35.600     -12.653   3.76 0.357 0.643 0.403 0.053     208.180     300.000       6.470    7 
+    710000        7100.00      35.473     -48.128     -12.655   4.22 0.286 0.667 0.330 0.077     321.831     300.000       6.531    7 
+    720000        7200.00      27.407     -40.060     -12.653   4.04 0.286 0.636 0.409 0.045     248.649     300.000       6.478    7 
+    730000        7300.00      29.798     -42.452     -12.654   3.69 0.286 0.556 0.384 0.058     270.344     300.000       6.870    7 
+    740000        7400.00      28.077     -40.730     -12.653   3.53 0.429 0.600 0.385 0.085     254.732     300.000       6.576    7 
+    750000        7500.00      28.667     -41.319     -12.653   4.06 0.286 0.636 0.434 0.050     260.079     300.000       6.697    7 
+    760000        7600.00      23.886     -36.539     -12.653   3.40 0.429 0.538 0.371 0.082     216.708     300.000       6.754    7 
+    770000        7700.00      33.263     -45.918     -12.655   3.77 0.357 0.615 0.395 0.050     301.782     300.000       6.699    7 
+    780000        7800.00      25.075     -37.728     -12.654   3.63 0.357 0.444 0.359 0.079     227.489     300.000       7.421    7 
+    790000        7900.00      33.676     -46.331     -12.655   4.26 0.286 0.733 0.458 0.056     305.523     300.000       6.583    7 
+    800000        8000.00      25.396     -38.049     -12.653   3.43 0.429 0.571 0.380 0.056     230.406     300.000       6.833    7 
+    810000        8100.00      28.516     -41.171     -12.655   4.60 0.286 0.714 0.458 0.081     258.709     300.000       6.990    7 
+    820000        8200.00      37.425     -50.080     -12.655   4.36 0.286 0.750 0.401 0.065     339.539     300.000       6.613    7 
+    830000        8300.00      28.947     -41.601     -12.654   4.02 0.500 0.588 0.425 0.072     262.627     300.000       6.629    7 
+    840000        8400.00      30.950     -43.604     -12.655   3.79 0.286 0.733 0.391 0.060     280.790     300.000       6.570    7 
+    850000        8500.00      25.923     -38.577     -12.655   4.42 0.286 0.667 0.288 0.082     235.185     300.000       6.807    7 
+    860000        8600.00      28.580     -41.233     -12.654   4.18 0.357 0.615 0.283 0.062     259.290     300.000       7.141    7 
+    870000        8700.00      32.401     -45.057     -12.656   4.13 0.357 0.706 0.364 0.098     293.959     300.000       6.643    7 
+    880000        8800.00      27.507     -40.160     -12.653   4.80 0.286 0.714 0.360 0.039     249.559     300.000       6.711    7 
+    890000        8900.00      33.438     -46.092     -12.654   3.66 0.286 0.733 0.355 0.081     303.370     300.000       6.641    7 
+    900000        9000.00      30.073     -42.728     -12.655   4.86 0.214 0.750 0.261 0.073     272.840     300.000       6.849    7 
+    910000        9100.00      28.883     -41.537     -12.654   3.72 0.286 0.636 0.264 0.063     262.041     300.000       6.846    7 
+    920000        9200.00      25.556     -38.209     -12.653   4.21 0.214 0.667 0.263 0.041     231.862     300.000       7.279    7 
+    930000        9300.00      28.599     -41.252     -12.653   5.03 0.143 0.857 0.347 0.048     259.466     300.000       6.830    7 
+    940000        9400.00      26.916     -39.569     -12.653   4.14 0.286 0.714 0.240 0.043     244.196     300.000       7.234    7 
+    950000        9500.00      24.616     -37.268     -12.652   4.52 0.286 0.733 0.336 0.052     223.333     300.000       6.674    7 
+    960000        9600.00      29.588     -42.241     -12.653   4.58 0.214 0.786 0.354 0.050     268.437     300.000       6.753    7 
+    970000        9700.00      23.408     -36.063     -12.654   4.50 0.286 0.667 0.277 0.047     212.372     300.000       7.150    7 
+    980000        9800.00      27.227     -39.879     -12.652   4.52 0.143 0.750 0.403 0.042     247.015     300.000       7.107    7 
+    990000        9900.00      30.385     -43.039     -12.654   4.55 0.357 0.545 0.264 0.080     275.665     300.000       7.089    7 
+   1000000       10000.00      29.730     -42.387     -12.656   3.83 0.286 0.714 0.383 0.164     269.730     300.000       7.094    7 
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD000.cx b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD000.cx
index 75c6d48713bee2963ad2aa282b4cdf263bde676a..fa807fcaa47b2fa35a764c9ff99c16346939a16d 100644
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD001.cx b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD001.cx
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD002.cx b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD002.cx
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD003.cx b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD003.cx
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD005.cx b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD005.cx
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD007.cx b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_MD007.cx
index d7e3275e49c932fcf741bba693d5d9ee60d2223f..21657e0b1d93e7c4ec24fd3e2bb1d0bebd7ba902 100644
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diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/fort.2 b/examples/unres/new/microcanonical/RESPA/ff_gab/fort.2
index 3437729..dfde82d 100644
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/fort.2
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/fort.2
@@ -1,133 +1,13 @@
 ====================MD calculation start====================
- acceleration/energy drift too large   33.4751872461861     
-   1.38691404383669       split increased to            2  itime      166636 
-  itsplit           1
- acceleration/energy drift too large   20.2890583963300     
-   1.18867876602111       split increased to            2  itime      182714 
-  itsplit           1
- acceleration/energy drift too large   20.6699218634773     
-   1.18574720208309       split increased to            2  itime      238523 
-  itsplit           1
- acceleration/energy drift too large   23.8278945229627     
-  0.923608750719812       split increased to            2  itime      272726 
-  itsplit           1
- acceleration/energy drift too large   35.4729437633830     
-   1.88112303096758       split increased to            2  itime      367586 
-  itsplit           1
- acceleration/energy drift too large   41.2306778634402     
-   1.56338130844387       split increased to            2  itime      439413 
-  itsplit           1
- acceleration/energy drift too large   20.4588124627796     
-  0.720944803924687       split increased to            2  itime      487024 
-  itsplit           1
- acceleration/energy drift too large   28.4695243734328     
-   2.05737326191522       split increased to            2  itime      487025 
-  itsplit           1
- acceleration/energy drift too large   21.8314781110461     
-   3.14623684545060       split increased to            2  itime      539618 
-  itsplit           1
- acceleration/energy drift too large   23.8953514154246     
-  0.723699824413302       split increased to            2  itime      539838 
-  itsplit           1
- acceleration/energy drift too large   22.0020599857867     
-  0.892869142543182       split increased to            2  itime      635110 
-  itsplit           1
- acceleration/energy drift too large   20.5331394431019     
-   1.31601847767160       split increased to            2  itime      678541 
-  itsplit           1
- acceleration/energy drift too large   22.9848227656450     
-  0.647540416171181       split increased to            2  itime      708066 
-  itsplit           1
- acceleration/energy drift too large   25.0162156562018     
-   1.04795930695230       split increased to            2  itime      709650 
-  itsplit           1
- acceleration/energy drift too large   44.3224791137547     
-   1.68588717052449       split increased to            2  itime      800155 
-  itsplit           1
- acceleration/energy drift too large   25.9586027154641     
-   1.14102074935945       split increased to            2  itime      812029 
-  itsplit           1
- acceleration/energy drift too large   33.2466826301064     
-   1.00876559858637       split increased to            2  itime      892115 
-  itsplit           1
- acceleration/energy drift too large   164.003664699874     
-   20.5145028875856       split increased to            2  itime      930145 
-  itsplit           1
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    3.49918E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    3.85902E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-              
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.50855E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.79402E+02
-
-
-============================  End of MD calculation  ===========================
-   7.81250E-03
-           Energy & gradient evaluation:    3.47789E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.76191E+02
-
-
-============================  End of MD calculation  ===========================
-      942496 
-  itsplit           1
-
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.55586E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.84367E+02
-
-
-============================  End of MD calculation  ===========================
-   1.17188E-02
-           Energy & gradient evaluation:    3.50984E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.79457E+02
-
-
-============================  End of MD calculation  ===========================
-      948974 
-  itsplit           1
-
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.50109E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.78668E+02
-
-
-============================  End of MD calculation  ===========================
-      976274 
-  itsplit           1
-
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    3.53207E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    3.82863E+02
+                               MD steps:    4.19297E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/unres.csh b/examples/unres/new/microcanonical/RESPA/ff_gab/unres.csh
index 2632a37..3759520 100755
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/unres.csh
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/unres.csh
@@ -5,9 +5,9 @@ setenv PREFIX 1L2Y_micro
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
-setenv UNRES_BIN /users/pk376/DLAPAWLA/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
 setenv ROTPAR $DD/scgauss.parm
diff --git a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.out_GB000 b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.out_GB000
index d1c2aeb..c7f11c6 100644
--- a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.out_GB000
+++ b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.out_GB000
@@ -5,25 +5,25 @@
  Output file                     : 1L2Y_micro.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/scinter_GB.parm
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ /users/pk376/unres-git/unres/PARAM/scinter_GB.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
  Bond & inertia constant file    : 
- /users/aks255/newUNRES/unres/PARAM/bond_AM1.parm
+ /users/pk376/unres-git/unres/PARAM/bond_AM1.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/theta_abinitio.parm
+ /users/pk376/unres-git/unres/PARAM/theta_abinitio.parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/rotamers_AM1_aura.10022007.parm
+ /users/pk376/unres-git/unres/PARAM/rotamers_AM1_aura.10022007.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
@@ -395,13 +395,13 @@ Initial:
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    2.61488E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    2.58785E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    2.89031E+02
+                               MD steps:    2.91344E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   289.093750000000       sec
+ Total wall clock time   298.027343750000       sec
diff --git a/examples/unres/new/microcanonical/VTS/ff_1l2y/fort.2 b/examples/unres/new/microcanonical/VTS/ff_1l2y/fort.2
index c8b32db..a6c4dcc 100644
--- a/examples/unres/new/microcanonical/VTS/ff_1l2y/fort.2
+++ b/examples/unres/new/microcanonical/VTS/ff_1l2y/fort.2
@@ -5,11 +5,11 @@
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    2.59895E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    2.66004E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    2.87613E+02
+                               MD steps:    2.98000E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/microcanonical/VTS/ff_1l2y/unres.csh b/examples/unres/new/microcanonical/VTS/ff_1l2y/unres.csh
index 9ae4bdb..56f5fb9 100755
--- a/examples/unres/new/microcanonical/VTS/ff_1l2y/unres.csh
+++ b/examples/unres/new/microcanonical/VTS/ff_1l2y/unres.csh
@@ -6,10 +6,12 @@ setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
 #setenv DD /users/czarek/UNRES/export_v3/PARAM
-setenv DD /users/aks255/newUNRES/unres/PARAM
+#setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
 setenv THETPARPDB $DD/thetaml.5parm
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp
index e9ea14f..5ab5099 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp
@@ -1,5 +1,5 @@
 1L2Y microcanonical simulation with VTS algorithm in ff_gab
-SEED=-3059743 PDBSTART PDBREF MD RESCALE_MODE=2
+SEED=-3059743 REFSTR PDBREF MD RESCALE_MODE=2
 nstep=1000000  ntwe=10000 ntwx=10000  dt=0.01 damax=20.0 dvmax=20.0 lang=0     &
 t_bath=300 reset_vel=0
 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
@@ -8,5 +8,21 @@ WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
 WVDWPP=0.11371 WHPB=1.00000                                                    &
 CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0
 ../../../1L2Y.pdb
+22
+ D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO
+ SER D
  0
  0
+  104.9286   87.6954   81.9040   82.4664   84.4658   83.9446   85.3958   91.4490
+   94.6016  101.8618  119.3634   94.3628   96.2641  138.1186   96.2995  129.7022
+  109.4446  106.3486  106.0416  108.7182
+ -100.4302   72.4264   66.0265   51.4337   53.5083   60.5686   44.1766   67.6037
+  -72.8136  -61.9155  -75.8939   67.3579  129.7011  -95.5708   63.9717  -74.5043
+ -122.3059 -134.6048   92.1133
+  102.3561  120.0919  152.3636  134.9756  122.3426  152.1780  159.0518  100.5580
+  139.9612    0.0000    0.0000  117.4525  137.0250  146.2899    0.0000   93.9014
+  101.0251  113.0432   93.7775  153.8351
+  -82.3166  -56.6854   85.0901  -88.6662 -140.9453   38.0240  179.4707  -73.0903
+ -144.7967    0.0000    0.0000 -133.1635 -106.6593 -130.3055    0.0000 -102.7467
+ -111.6412 -122.0445 -102.3738 -143.3033
+
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.out_GB000 b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.out_GB000
index 32ddb30..88e6ca1 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.out_GB000
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.out_GB000
@@ -5,34 +5,34 @@
  Output file                     : 1L2Y_micro.out_GB000
  
  Sidechain potential file        : 
- /users/aks255/newUNRES/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
  p8g-sc
- SCp potential file              : /users/aks255/newUNRES/unres/PARAM/scp.parm
+ SCp potential file              : /users/pk376/unres-git/unres/PARAM/scp.parm
  Electrostatic potential file    : 
- /users/aks255/newUNRES/unres/PARAM/electr_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
  Cumulant coefficient file       : 
- /users/aks255/newUNRES/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
  Torsional parameter file        : 
- /users/aks255/newUNRES/unres/PARAM/torsion_631Gdp.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm
  Double torsional parameter file : 
- /users/aks255/newUNRES/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/aks255/newUNRES/unres/PARAM/sccor_pdb_shelly.dat
- Bond & inertia constant file    : /users/aks255/newUNRES/unres/PARAM/bond.parm
+ /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/pk376/unres-git/unres/PARAM/bond.parm
  Bending parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/thetaml.5parm
+ /users/pk376/unres-git/unres/PARAM/thetaml.5parm
  Rotamer parameter file          : 
- /users/aks255/newUNRES/unres/PARAM/scgauss.parm
+ /users/pk376/unres-git/unres/PARAM/scgauss.parm
  Threading database              : 
- /users/aks255/newUNRES/unres/PARAM/patterns.cart
+ /users/pk376/unres-git/unres/PARAM/patterns.cart
 --------------------------------------------------------------------------------
 ********************************************************************************
 United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 2.5 build 300
- compiled Thu Jul  5 03:59:46 2012
- compiled by aks255@matrix.chem.cornell.edu
+ Version 2.5 build 302
+ compiled Mon Jul 23 17:42:12 2012
+ compiled by jal47@matrix.chem.cornell.edu
  OS name:    Linux 
  OS release: 2.6.34.9-69.fc13.x86_64 
  OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 
@@ -238,31 +238,32 @@ nsup= 20
           12  PRO           20  LEU            3
           13  PRO           20  TYR            4
           14  PRO           20  TRP            7
+Initial geometry will be read in.
 
 Geometry of the virtual chain.
   Res           d     Theta     Gamma       Dsc     Alpha      Beta 
 D     1     0.000     0.000     0.000     0.000     0.000     0.000
-ASN   2     3.861     0.000     0.000     1.977    94.624  -178.093
-LEU   3     3.876    92.239     0.000     2.195   102.878   -79.236
-TYR   4     3.861    92.239  -180.000     3.330   163.195    -7.440
-ILE   5     3.871    90.357    45.849     1.692   144.011  -104.516
-GLN   6     3.846    89.090    55.194     2.338   170.986  -139.318
-TRP   7     3.867    88.657    49.396     3.617   123.650   -21.913
-LEU   8     3.859    93.032    48.298     2.105   151.723  -105.899
-LYS   9     3.882    94.826    46.843     2.997   106.974   -55.960
-ASP  10     3.861    87.966    59.623     1.991   153.447  -128.646
-GLY  11     3.891    89.908    56.679     0.000     0.000     0.000
-GLY  12     3.864   100.181   -87.304     0.000     0.000     0.000
-PRO  13     3.886   109.073  -127.499     1.402   101.771  -115.580
-SER  14     3.876    89.537     4.261     1.267   144.515  -129.218
-SER  15     3.875    91.815    66.108     1.262   161.047  -100.177
-GLY  16     3.866   101.784    70.140     0.000     0.000     0.000
-ARG  17     3.866    92.201  -108.949     3.411   139.846  -132.716
-PRO  18     3.878   133.225   103.824     1.397   115.610  -118.024
-PRO  19     3.860   121.502  -122.527     1.395   118.575  -122.417
-PRO  20     3.858   117.950   -90.285     1.396   118.959  -126.207
-SER  21     3.864   114.201  -108.328     0.708   128.925   -37.341
-D    22     3.858   114.201   180.000     0.000     0.000     0.000
+ASN   2     3.800     0.000     0.000     1.684   102.356   -82.317
+LEU   3     3.800   104.929     0.000     1.939   120.092   -56.685
+TYR   4     3.800    87.695  -100.430     2.484   152.364    85.090
+ILE   5     3.800    81.904    72.426     1.776   134.976   -88.666
+GLN   6     3.800    82.466    66.026     2.240   122.343  -140.945
+TRP   7     3.800    84.466    51.434     2.605   152.178    38.024
+LEU   8     3.800    83.945    53.508     1.939   159.052   179.471
+LYS   9     3.800    85.396    60.569     2.541   100.558   -73.090
+ASP  10     3.800    91.449    44.177     1.709   139.961  -144.797
+GLY  11     3.800    94.602    67.604     0.000     0.000     0.000
+GLY  12     3.800   101.862   -72.814     0.000     0.000     0.000
+PRO  13     3.800   119.363   -61.916     1.345   117.453  -133.163
+SER  14     3.800    94.363   -75.894     1.150   137.025  -106.659
+SER  15     3.800    96.264    67.358     1.150   146.290  -130.305
+GLY  16     3.800   138.119   129.701     0.000     0.000     0.000
+ARG  17     3.800    96.299   -95.571     3.020    93.901  -102.747
+PRO  18     3.800   129.702    63.972     1.345   101.025  -111.641
+PRO  19     3.800   109.445   -74.504     1.345   113.043  -122.044
+PRO  20     3.800   106.349  -122.306     1.345    93.778  -102.374
+SER  21     3.800   106.042  -134.605     1.150   153.835  -143.303
+D    22     3.800   108.718    92.113     0.000     0.000     0.000
 
 
 ********************************************************************************
@@ -303,103 +304,103 @@ Mesoscopic molecular dynamics (MD) calculation.
  22   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
  Calling the zero-angular  momentum subroutine
  vcm right after adjustment:
-  4.226504204090251E-017 -1.020894735287500E-018 -4.083578941150001E-019
+  7.350442094070002E-018 -1.983088023295969E-017  2.245968417632500E-018
 
 
               alpha-carbon coordinates            centroid coordinates
              X           Y           Z          X           Y           Z
 D  (  1)     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-ASN(  2)     3.86050     0.00000     0.00000     2.55159     1.47985     0.06557
-LEU(  3)     4.01193    -3.87344     0.00000     3.96088    -4.50305    -2.10206
-TYR(  4)     7.87243    -3.87344     0.00000    10.79652    -4.89021    -1.22632
-ILE(  5)     7.89655    -1.17680     2.77774     7.76075     0.44675     2.31935
-GLN(  6)     5.70141    -3.47509     4.94285     3.60888    -3.02771     5.88565
-TRP(  7)     8.16996    -6.36206     4.22016    10.77228    -8.29798     2.61912
-LEU(  8)    11.25658    -4.20989     5.07405    12.42370    -3.38205     3.52958
-LYS(  9)     9.76612    -2.79308     8.36640     6.86736    -2.82804     9.12493
-ASP( 10)     9.49962    -6.42561     9.64741     7.69328    -7.25489     9.53489
-GLY( 11)    13.31647    -6.90493     9.06335    13.31647    -6.90493     9.06335
-GLY( 12)    13.30671    -8.01769     5.36352    13.30671    -8.01769     5.36352
-PRO( 13)    15.31165   -11.32992     5.02827    16.17763   -10.48298     4.32295
-SER( 14)    15.75414   -11.41497     8.87760    16.77305   -10.71800     9.16233
-SER( 15)    11.95328   -11.92981     9.42670    11.12717   -10.97987     9.51528
-GLY( 16)    11.45094   -15.53878     8.13618    11.45094   -15.53878     8.13618
-ARG( 17)     9.54906   -14.31220     5.00147     7.79760   -12.40573     7.22288
-PRO( 18)    10.53690   -13.94710     1.26956     9.62009   -14.99504     1.15440
-PRO( 19)    10.30439   -10.55356    -0.55592    11.52337   -10.99526    -1.06954
-PRO( 20)     6.99735    -9.68439    -2.34313     7.03150    -8.66136    -1.39345
-SER( 21)     7.20688    -9.78655    -6.20031     7.28380   -10.16020    -6.79638
-D  ( 22)     3.89984    -8.91739    -7.98752     3.89984    -8.91739    -7.98752
+ASN(  2)     3.80000     0.00000     0.00000     4.19395     0.15176     1.63022
+LEU(  3)     4.77894    -3.67174     0.00000     6.45470    -4.61120    -0.26262
+TYR(  4)     5.40376    -3.34701     3.73419     6.99608    -4.40943     5.31723
+ILE(  5)     1.60715    -3.20688     3.81267     0.66846    -2.00631     2.90072
+GLN(  6)     1.94839    -6.79081     2.59652     1.67496    -6.00460     0.51692
+TRP(  7)     4.28674    -7.18710     5.56554     6.06986    -8.42183     7.00843
+LEU(  8)     1.35234    -5.80840     7.54758     1.66208    -4.14953     8.50254
+LYS(  9)    -0.53224    -8.86183     6.29662     0.02805    -9.25716     3.84989
+ASP( 10)     2.43549   -11.11658     7.03737     3.20275   -10.98938     5.51559
+GLY( 11)     2.18504   -10.72111    10.80843     2.18504   -10.72111    10.80843
+GLY( 12)     3.43786    -7.16826    11.30614     3.43786    -7.16826    11.30614
+PRO( 13)     6.99461    -6.28836    10.29851     6.42185    -5.11686     9.96902
+SER( 14)     8.57536    -7.97729    13.31326     8.31540    -7.39705    14.27151
+SER( 15)     7.65918   -11.53050    12.32568     6.78456   -11.09058    11.72234
+GLY( 16)     9.38152   -14.89751    11.95581     9.38152   -14.89751    11.95581
+ARG( 17)    10.03694   -14.62275     8.22286     7.37409   -13.20714     8.38321
+PRO( 18)    12.21420   -12.16088     6.31531    11.85460   -12.99540     5.32369
+PRO( 19)    10.48638    -8.77881     6.18806    11.49173    -8.46972     7.02636
+PRO( 20)    10.10763    -7.90895     2.50840     8.81244    -7.79183     2.85161
+SER( 21)    11.17729    -4.27813     2.17220    10.31507    -3.69519     2.66134
+D  ( 22)    14.88269    -4.17086     1.33644    14.88269    -4.17086     1.33644
 
 Geometry of the virtual chain.
   Res           d     Theta     Gamma       Dsc     Alpha      Beta 
 D     1     0.000     0.000     0.000     0.000     0.000     0.000
-ASN   2     3.861     0.000     0.000     1.977    94.624  -178.093
-LEU   3     3.876    92.239     0.000     2.195   102.878   -79.236
-TYR   4     3.861    92.239  -180.000     3.330   163.195    -7.440
-ILE   5     3.871    90.357    45.849     1.692   144.011  -104.516
-GLN   6     3.846    89.090    55.194     2.338   170.986  -139.318
-TRP   7     3.867    88.657    49.396     3.617   123.650   -21.913
-LEU   8     3.859    93.032    48.298     2.105   151.723  -105.899
-LYS   9     3.882    94.826    46.843     2.997   106.974   -55.960
-ASP  10     3.861    87.966    59.623     1.991   153.447  -128.646
-GLY  11     3.891    89.908    56.679     0.000   180.000   180.000
-GLY  12     3.864   100.181   -87.304     0.000   180.000   180.000
-PRO  13     3.886   109.073  -127.499     1.402   101.771  -115.580
-SER  14     3.876    89.537     4.261     1.267   144.515  -129.218
-SER  15     3.875    91.815    66.108     1.262   161.047  -100.177
-GLY  16     3.866   101.784    70.140     0.000   180.000   180.000
-ARG  17     3.866    92.201  -108.949     3.411   139.846  -132.716
-PRO  18     3.878   133.225   103.824     1.397   115.610  -118.024
-PRO  19     3.860   121.502  -122.527     1.395   118.575  -122.417
-PRO  20     3.858   117.950   -90.285     1.396   118.959  -126.207
-SER  21     3.864   114.201  -108.328     0.708   128.925   -37.341
-D    22     3.858   114.201   180.000     0.000   180.000   180.000
+ASN   2     3.800     0.000     0.000     1.684   102.356   -82.317
+LEU   3     3.800   104.929     0.000     1.939   120.092   -56.685
+TYR   4     3.800    87.695  -100.430     2.484   152.364    85.090
+ILE   5     3.800    81.904    72.426     1.776   134.976   -88.666
+GLN   6     3.800    82.466    66.026     2.240   122.343  -140.945
+TRP   7     3.800    84.466    51.434     2.605   152.178    38.024
+LEU   8     3.800    83.945    53.508     1.939   159.052   179.471
+LYS   9     3.800    85.396    60.569     2.541   100.558   -73.090
+ASP  10     3.800    91.449    44.177     1.709   139.961  -144.797
+GLY  11     3.800    94.602    67.604     0.000   180.000   180.000
+GLY  12     3.800   101.862   -72.814     0.000   180.000   180.000
+PRO  13     3.800   119.363   -61.916     1.345   117.453  -133.163
+SER  14     3.800    94.363   -75.894     1.150   137.025  -106.659
+SER  15     3.800    96.264    67.358     1.150   146.290  -130.306
+GLY  16     3.800   138.119   129.701     0.000   180.000   180.000
+ARG  17     3.800    96.299   -95.571     3.020    93.901  -102.747
+PRO  18     3.800   129.702    63.972     1.345   101.025  -111.641
+PRO  19     3.800   109.445   -74.504     1.345   113.043  -122.045
+PRO  20     3.800   106.349  -122.306     1.345    93.777  -102.374
+SER  21     3.800   106.042  -134.605     1.150   153.835  -143.303
+D    22     3.800   108.718    92.113     0.000   180.000   180.000
  Potential energy and its components
 
 Virtual-chain energies:
 
-EVDW=     -1.475487E+01 WEIGHT=    1.352790D+00 (SC-SC)
-EVDW2=     4.471415E+01 WEIGHT=    1.593040D+00 (SC-p)
-EES=      -9.165378E+01 WEIGHT=    7.153400D-01 (p-p)
-EVDWPP=   -3.362882E+01 WEIGHT=    1.137100D-01 (p-p VDW)
-ESTR=      6.750243E+02 WEIGHT=    1.000000D+00 (stretching)
-EBE=      -3.261471E+01 WEIGHT=    1.138730D+00 (bending)
-ESC=       5.789477E+01 WEIGHT=    1.625800D-01 (SC local)
-ETORS=     1.479510E+01 WEIGHT=    1.985990D+00 (torsional)
-ETORSD=    1.006444E+00 WEIGHT=    1.570690D+00 (double torsional)
+EVDW=     -4.436790E+01 WEIGHT=    1.352790D+00 (SC-SC)
+EVDW2=     5.228224E+01 WEIGHT=    1.593040D+00 (SC-p)
+EES=      -1.132072E+02 WEIGHT=    7.153400D-01 (p-p)
+EVDWPP=    2.375178E+01 WEIGHT=    1.137100D-01 (p-p VDW)
+ESTR=      6.779273E-27 WEIGHT=    1.000000D+00 (stretching)
+EBE=      -1.651995E+01 WEIGHT=    1.138730D+00 (bending)
+ESC=       7.185904E+01 WEIGHT=    1.625800D-01 (SC local)
+ETORS=     8.243370E+00 WEIGHT=    1.985990D+00 (torsional)
+ETORSD=    2.390466E+00 WEIGHT=    1.570690D+00 (double torsional)
 EHPB=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4=   -6.528803E+01 WEIGHT=    4.288700D-01 (multi-body)
+ECORR4=   -8.338619E+01 WEIGHT=    4.288700D-01 (multi-body)
 ECORR5=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
 ECORR6=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
-EELLO=    -4.012900E+00 WEIGHT=    1.603600D-01 (electrostatic-local)
-ETURN3=    1.829789E+01 WEIGHT=    1.687220D+00 (turns, 3rd order)
-ETURN4=    6.580750E-01 WEIGHT=    6.623000D-01 (turns, 4th order)
+EELLO=    -5.753258E+00 WEIGHT=    1.603600D-01 (electrostatic-local)
+ETURN3=    1.901845E+01 WEIGHT=    1.687220D+00 (turns, 3rd order)
+ETURN4=   -7.304754E+00 WEIGHT=    6.623000D-01 (turns, 4th order)
 ETURN6=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 6th order)
 ESCCOR=    0.000000E+00 WEIGHT=    0.000000D+00 (backbone-rotamer corr)
 EDIHC=     0.000000E+00 (dihedral angle constraints)
 ESS=       0.000000E+00 (disulfide-bridge intrinsic energy)
 UCONST=     0.000000E+00 (Constraint energy)
-ETOT=      6.628097E+02 (total)
+ETOT=     -5.145065E+01 (total)
 
 Initial:
-           Kinetic energy   3.07644E+01
-         potential energy   6.62810E+02
-             total energy   6.93574E+02
+           Kinetic energy   3.24616E+01
+         potential energy  -5.14506E+01
+             total energy  -1.89891E+01
 
-    maximum acceleration    8.66045E+00
+    maximum acceleration    1.98994E-01
 
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    2.48965E+02
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    2.64738E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    2.76316E+02
+                               MD steps:    2.96723E+02
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   278.832031250000       sec
+ Total wall clock time   298.832031250000       sec
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_000.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_000.rst
index 7a7e26e..d5e884f 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_000.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_000.rst
@@ -1,90 +1,90 @@
-   9999.45890642184        432.828361804609        307.285536193476     
-   740.113897998086        300.000000000000     
+   10000.0000001719        26.2693735895280       -45.2613186330000     
+  -18.9919450434720        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.11564E-01   -0.72509E+00    0.10874E+01
-    0.29613E+00   -0.38233E+00   -0.87530E+00
-   -0.29484E+00    0.64613E+00    0.39095E+00
-   -0.16292E+00    0.16776E+00   -0.77541E-01
-    0.62818E+00    0.43865E+00   -0.13943E+00
-    0.19897E+00   -0.11313E+01    0.16600E+00
-   -0.50203E+00    0.49455E+00   -0.32191E-01
-   -0.11504E-01   -0.37592E+00    0.48143E+00
-   -0.18180E+00    0.87390E+00   -0.74434E+00
-    0.24295E-01    0.76055E-01    0.34813E+00
-    0.40850E+00   -0.64637E-01    0.14533E+00
-   -0.73631E-01   -0.10352E+01    0.22609E+00
-   -0.72872E+00    0.56709E+00   -0.21188E+00
-    0.35395E+00   -0.18263E+00   -0.20444E+00
-    0.57149E-01    0.64297E+00    0.10487E+00
-   -0.14574E+00   -0.60620E+00   -0.17398E+00
-    0.15319E+00    0.12162E+00   -0.12296E+01
-   -0.14842E+00    0.71147E-01    0.13240E+01
-   -0.32048E+00   -0.54388E+00   -0.15813E-01
+    0.86663E-01    0.14287E+00    0.12731E+00
+    0.79543E-01   -0.26569E+00   -0.82753E-01
+   -0.19963E+00    0.15561E+00    0.68305E-02
+   -0.16806E-01   -0.25602E+00   -0.75326E-01
+    0.10021E+00    0.65175E-01    0.12093E+00
+    0.12388E-01    0.14695E+00    0.19195E+00
+   -0.28258E-01   -0.13058E+00   -0.96304E-01
+   -0.18523E+00    0.17259E+00   -0.10264E+00
+    0.21152E+00   -0.23713E+00   -0.84622E-02
+   -0.12487E+00    0.16503E+00   -0.17361E+00
+    0.10575E+00   -0.37117E-01    0.93284E-01
+   -0.11531E+00   -0.11735E+00    0.71915E-01
+   -0.16733E+00    0.52442E+00    0.11083E+00
+    0.40911E+00   -0.22299E+00   -0.79136E-01
+   -0.24398E+00   -0.16747E+00   -0.77185E-01
+    0.20656E+00    0.12458E+00   -0.13479E+00
+   -0.55345E-01   -0.18349E+00    0.26413E+00
+    0.32523E-02    0.15396E+00   -0.22826E-02
+   -0.67094E-01    0.22058E+00   -0.39430E-01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.93354E-01    0.18131E-02    0.84488E+00
-   -0.25007E+00    0.42992E+00   -0.49016E+00
-    0.24079E+00    0.55832E+00   -0.21832E+00
-   -0.10311E+00    0.19927E+00   -0.36530E+00
-   -0.35936E+00   -0.15176E+00   -0.49700E-01
-   -0.40692E+00    0.56053E-01   -0.19791E+00
-   -0.55422E+00    0.65962E+00    0.16803E+00
-    0.14473E+00    0.26223E+00    0.31762E-01
-   -0.40049E+00    0.40337E+00    0.11537E+00
+    0.85680E-01   -0.22097E-01    0.11234E+00
+   -0.59063E-01   -0.11250E+00    0.15436E-01
+   -0.64114E-01    0.69189E-01   -0.17636E-01
+   -0.69784E-02    0.17695E-01    0.14366E+00
+    0.46507E-01    0.22844E+00    0.65087E-01
+    0.22826E-01   -0.53425E-02   -0.78560E-01
+   -0.39603E-01   -0.10239E+00   -0.20186E+00
+    0.38678E-02   -0.50878E-02   -0.10032E+00
+    0.14485E+00    0.19356E-01    0.24814E-01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.18877E+00   -0.37984E+00    0.33713E+00
-   -0.72382E-01    0.97433E+00   -0.69893E+00
-   -0.21621E+00   -0.17340E+00    0.68149E+00
+   -0.60744E-01    0.10327E+00    0.34702E-01
+    0.18889E+00   -0.64522E-01    0.69956E-01
+    0.38636E+00   -0.18099E+00   -0.80315E-01
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.23619E+00   -0.72800E+00   -0.12659E+00
-    0.40217E+00   -0.24125E+00   -0.24942E+00
-   -0.47224E+00    0.13364E+00    0.67455E+00
-    0.58026E-01    0.15494E+00    0.26036E+00
-    0.11796E+01    0.45689E+00   -0.48011E+00
+    0.92757E-01    0.63150E-01    0.52444E-01
+   -0.64507E-01   -0.11709E+00    0.17467E+00
+   -0.45960E-01    0.68171E-01   -0.59245E-01
+   -0.15093E+00   -0.22552E-01    0.27315E-02
+    0.15222E-01   -0.21387E+00    0.84954E-02
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.38605E+01    0.00000E+00    0.00000E+00
-    0.22900E+01    0.14973E+01   -0.30887E+01
-    0.33228E+01    0.14509E+01   -0.14921E+01
-    0.24335E+01   -0.30762E+01   -0.83703E+00
-    0.55573E+00   -0.31527E+01   -0.18147E+01
-    0.67054E+00   -0.20893E+01   -0.31947E+01
-    0.26781E+01   -0.27256E+01   -0.59540E+00
-    0.23653E+01    0.31586E+01    0.18979E+00
-    0.26829E+01   -0.37634E+00    0.25540E+01
-    0.22497E+01    0.22543E+00    0.29259E+01
-   -0.19845E+01   -0.19127E+01    0.26909E+01
-    0.21058E+01    0.13687E+01    0.28360E+01
-    0.91622E+00    0.27466E+01   -0.23157E+01
-   -0.78016E+00    0.30763E+01    0.19548E+01
-   -0.74762E+00    0.25125E+01    0.26455E+01
-   -0.17607E+00   -0.59188E+00    0.36371E+01
-   -0.20664E+01   -0.29434E+01    0.25057E+00
-   -0.39091E+01    0.30938E-01    0.11230E+01
-    0.19095E+01    0.73168E+00    0.31843E+01
-   -0.26396E+00    0.33522E+01    0.15775E+01
-   -0.33070E+01    0.86916E+00   -0.17872E+01
+    0.38000E+01    0.00000E+00    0.00000E+00
+    0.14653E+00   -0.14036E+01    0.34918E+01
+   -0.33477E+01   -0.16102E+01    0.98277E+00
+   -0.12904E+01   -0.14442E+01    0.32700E+01
+   -0.35677E+01    0.81530E+00   -0.91030E+00
+    0.17028E+00   -0.23511E+01   -0.30155E+01
+    0.14027E+01   -0.28905E+01    0.20522E+01
+   -0.33985E+01   -0.57846E+00    0.15400E+01
+   -0.14906E+01   -0.79782E-01   -0.35531E+01
+    0.20898E+01   -0.31140E+01   -0.71577E+00
+    0.36947E+01   -0.98887E+00    0.98240E-01
+    0.28311E+01    0.16803E+01   -0.18885E+01
+   -0.20801E+01    0.32999E+00   -0.30842E+01
+   -0.14368E+01    0.33651E+01    0.11789E+01
+    0.10378E+01    0.23204E+01   -0.28127E+01
+    0.31776E+01    0.13779E+01    0.16169E+01
+    0.32020E+01   -0.17953E+01    0.97699E+00
+   -0.68728E+00   -0.21215E+01    0.30505E+01
+    0.12187E+01    0.90761E+00    0.34918E+01
+    0.18438E+00   -0.36082E+01    0.10576E+01
+    0.37054E+01    0.10728E+00   -0.83576E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.48457E+00   -0.16805E+01   -0.58638E+00
-   -0.88163E+00   -0.15094E+01   -0.11715E+01
-    0.10124E+01    0.20319E+01    0.14752E+01
-    0.76924E+00    0.13686E+01   -0.42925E+00
-   -0.21284E+01   -0.18219E-01   -0.37871E+00
-    0.11066E+01    0.19122E+01   -0.14920E+01
-   -0.11287E+01   -0.16651E+01    0.40959E+00
-    0.60609E+00    0.16276E+01    0.22807E+01
-    0.99159E+00    0.15445E+01   -0.29912E+00
+    0.30769E+00    0.14889E+01   -0.79625E+00
+    0.11241E+01    0.12726E+01    0.10193E+01
+    0.53321E+00   -0.17543E+01   -0.17005E+01
+    0.87975E+00   -0.60257E+00    0.14891E+01
+   -0.41168E+00    0.21969E+01   -0.19437E+00
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_001.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_001.rst
index bfdf83e..2a93c54 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_001.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_001.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_002.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_002.rst
index 173bb72..81199d5 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_002.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_002.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_003.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_003.rst
index 849ee89..f9d5df2 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_003.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_003.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_004.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_004.rst
index 0b7a4c7..0907d84 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_004.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_004.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_005.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_005.rst
index 49ac9a6..baced53 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_005.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_005.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_006.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_006.rst
index c278c0a..6d15216 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_006.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_006.rst
@@ -1,90 +1,90 @@
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_007.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_007.rst
index 5dae3f5..9d5cd0f 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_007.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_007.rst
@@ -1,90 +1,90 @@
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-    0.64608E+00   -0.21372E+01    0.31772E+01
-   -0.36068E+01   -0.48081E+00    0.33578E+00
-   -0.33070E+01    0.86916E+00   -0.17872E+01
+    0.38000E+01    0.00000E+00    0.00000E+00
+   -0.73194E-01   -0.37246E+01    0.54303E+00
+   -0.25304E+01   -0.22134E+00   -0.28570E+01
+   -0.38942E+00   -0.37929E+01    0.50011E+00
+   -0.26097E+01   -0.10105E+00    0.26976E+01
+   -0.18639E+01    0.28111E+01   -0.17450E+01
+   -0.18054E+00   -0.20407E+01   -0.32587E+01
+   -0.23805E+01   -0.25012E+01    0.16822E+01
+   -0.29747E+01    0.21566E+01   -0.79976E+00
+   -0.73836E+00   -0.16834E+01   -0.33783E+01
+    0.33344E+01    0.37329E-01   -0.18546E+01
+    0.11295E+01    0.36329E+01   -0.53609E+00
+   -0.35643E+01    0.13982E+01    0.31920E+00
+    0.89237E+00    0.14319E+01    0.34134E+01
+   -0.75728E+00    0.36656E+01    0.53894E+00
+    0.36648E+01    0.10331E+01   -0.30518E+00
+    0.22432E+01    0.36598E+00   -0.30369E+01
+    0.58059E+00   -0.33537E+01   -0.16368E+01
+    0.28737E+01    0.36713E+00   -0.25133E+01
+    0.94069E+00   -0.32092E+01   -0.15810E+01
+    0.37054E+01    0.10728E+00   -0.83576E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.15520E+01   -0.44526E+00    0.21034E+00
-   -0.12905E+01    0.10496E+01    0.14699E+01
-    0.16606E+01    0.79329E+00   -0.14703E+01
-   -0.24683E+00   -0.17383E+01   -0.80182E+00
-    0.19820E+01    0.40559E+00   -0.71414E+00
-   -0.24513E+01   -0.84577E+00    0.71376E+00
-   -0.40813E+00   -0.14735E+01   -0.11424E+01
-    0.75561E+00   -0.85352E+00    0.24338E+01
-   -0.13673E+01    0.10101E+01   -0.77626E+00
+    0.24554E+00    0.13388E+01    0.93192E+00
+    0.31002E+00   -0.15033E+01    0.12215E+01
+   -0.13953E+01    0.11889E+01   -0.16521E+01
+    0.15977E+01   -0.54440E+00    0.56226E+00
+    0.29657E+00   -0.39749E+00    0.21855E+01
+    0.19928E+01    0.15235E+01    0.75417E+00
+    0.10245E+01    0.62104E+00   -0.14470E+01
+   -0.75688E+00    0.89628E-01    0.24631E+01
+    0.95151E+00    0.10780E+01    0.87134E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.47043E+00    0.13738E+01   -0.16652E+00
-    0.59162E-01   -0.94244E+00   -0.73993E+00
-   -0.48701E+00    0.93109E+00    0.73106E+00
+   -0.45275E+00    0.51304E+00   -0.11639E+01
+   -0.11139E+01   -0.38411E+00    0.12476E-03
+    0.90645E+00   -0.55747E+00    0.58609E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.12348E+01   -0.59207E+00    0.25413E+01
-    0.10706E+00    0.40567E+00   -0.12809E+01
-   -0.99991E+00    0.63152E+00    0.78228E+00
-    0.62353E+00    0.78255E+00    0.54671E+00
-   -0.20428E+00   -0.44568E+00    0.86253E+00
+    0.24312E+01   -0.97965E+00    0.15892E+01
+    0.10335E+01   -0.25270E+00    0.77407E+00
+   -0.13437E+01    0.40477E-01   -0.83219E-01
+    0.66908E+00    0.68691E+00    0.10437E+01
+   -0.22796E+00   -0.32317E+00   -0.10766E+01
     0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB000.stat b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB000.stat
index ce89bd1..c02f183 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB000.stat
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB000.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.764     662.810     693.574   0.00 1.000 0.000 0.308 8.660     279.110     300.000       7.001    0 
-     10000         100.00     435.332     258.810     694.142   5.74 0.071 0.857 0.227 0.227    3949.560     300.000      10.106    0 
-     20000         200.00     438.860     255.189     694.049   8.82 0.000 1.000 0.136 0.475    3981.563     300.000      12.553    0 
-     30000         300.00     531.174     163.566     694.740   5.16 0.071 0.800 0.327 0.119    4819.086     300.000       8.502    0 
-     40000         400.00     511.460     182.923     694.384   6.24 0.000 1.000 0.182 0.319    4640.233     300.000       9.455    0 
-     50000         499.99     484.194     209.727     693.920   9.66 0.071 0.500 0.136 0.204    4392.854     300.000      13.559    0 
-     60000         599.99     458.828     235.307     694.135   6.75 0.000 1.000 0.136 0.502    4162.726     300.000      11.159    0 
-     70000         699.99     500.707     193.519     694.226   5.91 0.071 0.667 0.167 0.188    4542.670     300.000       9.808    0 
-     80000         799.99     450.935     243.260     694.195   8.44 0.000 1.000 0.136 0.273    4091.118     300.000      12.249    0 
-     90000         899.98     420.528     272.424     692.952   9.16 0.000 1.000 0.227 0.474    3815.251     300.000      11.868    0 
-    100000         999.98     401.428     291.606     693.034   5.07 0.000 1.000 0.182 0.244    3641.959     300.000       8.827    0 
-    110000        1099.98     413.186     279.300     692.486   6.47 0.071 0.500 0.159 0.247    3748.638     300.000       9.785    0 
-    120000        1199.97     450.595     242.625     693.221  11.01 0.000   NaN   NaN 0.287    4088.034     300.000      14.913    0 
-    130000        1299.97     491.567     201.202     692.769   8.47 0.143 0.333 0.182 0.285    4459.749     300.000      10.762    0 
-    140000        1399.97     437.339     255.542     692.881   7.84 0.000 1.000 0.136 0.343    3967.765     300.000      12.097    0 
-    150000        1499.97     447.910     244.815     692.726   6.48 0.071 0.000 0.136 0.214    4063.675     300.000      11.629    0 
-    160000        1599.97     420.672     271.433     692.106   6.04 0.000   NaN   NaN 0.289    3816.558     300.000       9.288    0 
-    170000        1699.97     430.239     261.394     691.633   9.05 0.000 1.000 0.341 0.331    3903.355     300.000      11.439    0 
-    180000        1799.97     430.948     261.650     692.598  11.02 0.000 1.000 0.136 0.164    3909.786     300.000      13.612    0 
-    190000        1899.97     431.812     258.862     690.674   6.46 0.071 0.800 0.173 0.142    3917.621     300.000      10.417    0 
-    200000        1999.97     444.061     246.438     690.499   5.04 0.000 1.000 0.445 0.242    4028.750     300.000       9.698    0 
-    210000        2099.97     500.361     191.127     691.488   9.74 0.000   NaN   NaN 0.556    4539.536     300.000      14.234    0 
-    220000        2199.97     522.757     168.324     691.081   4.59 0.000 1.000 0.136 0.210    4742.721     300.000       8.834    0 
-    230000        2299.97     440.348     251.077     691.425   5.82 0.000   NaN   NaN 0.465    3995.061     300.000      10.509    0 
-    240000        2399.97     461.508     229.866     691.374   7.68 0.000 1.000 0.159 0.329    4187.043     300.000      11.849    0 
-    250000        2499.97     449.409     242.754     692.163   7.05 0.000   NaN   NaN 0.285    4077.269     300.000      11.872    0 
-    260000        2599.97     438.229     254.141     692.369   7.13 0.071 0.800 0.191 0.449    3975.837     300.000       9.855    0 
-    270000        2699.96     512.736     203.666     716.402  10.03 0.000 1.000 0.136 0.206    4651.806     300.000      13.063    0 
-    280000        2799.96     411.008     306.131     717.140   4.64 0.071 0.667 0.227 0.270    3728.881     300.000       7.902    0 
-    290000        2899.96     530.306     186.981     717.286   9.20 0.000   NaN   NaN 0.310    4811.208     300.000      12.564    0 
-    300000        2999.96     448.768     268.289     717.057   5.65 0.000 1.000 0.182 0.167    4071.457     300.000       9.421    0 
-    310000        3099.95     419.335     297.415     716.750   7.61 0.000   NaN   NaN 0.584    3804.426     300.000      10.853    0 
-    320000        3199.95     481.017     233.202     714.219   6.26 0.000 1.000 0.379 0.185    4364.035     300.000       9.527    0 
-    330000        3299.95     487.350     227.118     714.468   7.71 0.000 1.000 0.136 0.185    4421.492     300.000      11.247    0 
-    340000        3399.95     452.896     261.517     714.413   9.52 0.000 1.000 0.136 0.321    4108.907     300.000      13.167    0 
-    350000        3499.91     482.268     262.781     745.048   7.85 0.071 0.667 0.167 0.344    4375.382     300.000      10.265    0 
-    360000        3599.90     461.935     280.464     742.399   7.55 0.071 0.000 0.136 0.249    4190.914     300.000      11.947    0 
-    370000        3699.90     453.480     287.405     740.885   8.88 0.143 0.600 0.173 0.251    4114.205     300.000      10.564    0 
-    380000        3799.90     493.173     247.863     741.036   6.44 0.143 0.333 0.152 0.384    4474.323     300.000       9.986    0 
-    390000        3899.89     471.941     267.628     739.569   5.76 0.071 0.500 0.295 0.157    4281.695     300.000       8.957    0 
-    400000        3999.88     516.326     221.609     737.935   8.04 0.000   NaN   NaN 0.355    4684.381     300.000      11.713    0 
-    410000        4099.88     497.149     241.469     738.618   5.44 0.000   NaN   NaN 0.390    4510.395     300.000       9.212    0 
-    420000        4199.88     510.578     228.419     738.997   8.79 0.000 1.000 0.136 0.275    4632.223     300.000      12.309    0 
-    430000        4299.88     453.711     285.260     738.972   6.84 0.000   NaN   NaN 0.215    4116.304     300.000      10.757    0 
-    440000        4399.88     440.115     299.547     739.661   7.68 0.143 0.600 0.155 0.386    3992.949     300.000      10.158    0 
-    450000        4499.88     451.376     287.466     738.842   9.06 0.000 1.000 0.136 0.305    4095.117     300.000      12.154    0 
-    460000        4599.88     409.481     329.348     738.830   5.66 0.000   NaN   NaN 0.318    3715.027     300.000       9.734    0 
-    470000        4699.87     466.815     272.391     739.206   5.82 0.071 0.500 0.159 0.261    4235.187     300.000       9.688    0 
-    480000        4799.87     479.481     259.936     739.418  10.52 0.143 0.000 0.136 0.228    4350.100     300.000      14.061    0 
-    490000        4899.87     460.272     278.962     739.233   7.50 0.000   NaN   NaN 0.445    4175.821     300.000      12.177    0 
-    500000        4999.87     430.450     308.963     739.414   5.65 0.000 1.000 0.136 0.249    3905.268     300.000       9.781    0 
-    510000        5099.87     453.133     286.348     739.481   7.91 0.000 1.000 0.136 0.448    4111.061     300.000      11.666    0 
-    520000        5199.86     496.046     244.781     740.827   6.34 0.000   NaN   NaN 0.272    4500.381     300.000       9.828    0 
-    530000        5299.85     426.047     314.506     740.553   8.47 0.000 1.000 0.227 0.199    3865.314     300.000      11.548    0 
-    540000        5399.84     526.494     215.032     741.525  11.34 0.000   NaN   NaN 0.334    4776.623     300.000      14.301    0 
-    550000        5499.83     440.983     297.880     738.863   6.96 0.071 0.667 0.182 0.317    4000.827     300.000       9.827    0 
-    560000        5599.81     502.177     240.009     742.186   6.21 0.000   NaN   NaN 0.151    4556.010     300.000      11.126    0 
-    570000        5699.80     459.222     282.266     741.488   6.56 0.071 0.000 0.136 0.283    4166.301     300.000      11.397    0 
-    580000        5799.80     452.839     287.369     740.209   7.94 0.071 0.500 0.159 0.387    4108.392     300.000       8.746    0 
-    590000        5899.80     490.840     249.213     740.053   6.75 0.143 0.333 0.167 0.258    4453.157     300.000       8.604    0 
-    600000        5999.80     510.303     230.055     740.357   8.37 0.000 1.000 0.136 0.197    4629.731     300.000      11.717    0 
-    610000        6099.80     431.232     306.638     737.870   5.95 0.071 0.750 0.375 0.270    3912.363     300.000       7.230    0 
-    620000        6199.80     470.963     266.912     737.874  10.24 0.000   NaN   NaN 0.245    4272.819     300.000      14.025    0 
-    630000        6299.79     482.538     255.563     738.102   6.88 0.143 0.333 0.152 0.140    4377.837     300.000      11.377    0 
-    640000        6399.79     517.200     221.310     738.511   7.80 0.000 1.000 0.136 0.213    4692.308     300.000      10.970    0 
-    650000        6499.75     500.803     235.421     736.224   6.53 0.000 1.000 0.136 0.195    4543.543     300.000       9.924    0 
-    660000        6599.75     500.996     230.254     731.250   7.20 0.071 0.500 0.182 0.278    4545.292     300.000      10.847    0 
-    670000        6699.75     469.074     262.309     731.383   8.19 0.000 1.000 0.341 0.108    4255.679     300.000      10.939    0 
-    680000        6799.75     469.603     262.329     731.932   7.97 0.000 1.000 0.152 0.196    4260.482     300.000      11.642    0 
-    690000        6899.75     494.222     238.646     732.868   5.75 0.071 0.000 0.136 0.298    4483.834     300.000       9.805    0 
-    700000        6999.75     519.751     213.072     732.823  11.31 0.000   NaN   NaN 0.180    4715.449     300.000      14.293    0 
-    710000        7099.75     461.350     271.386     732.736   5.10 0.000 1.000 0.443 0.213    4185.603     300.000       8.092    0 
-    720000        7199.75     511.545     221.103     732.648  11.98 0.000   NaN   NaN 0.163    4641.001     300.000      14.828    0 
-    730000        7299.51     439.957     287.162     727.118   4.96 0.143 0.500 0.205 0.412    3991.515     300.000       9.184    0 
-    740000        7399.51     477.762     249.732     727.494   5.39 0.000 1.000 0.523 0.305    4334.504     300.000       9.171    0 
-    750000        7499.51     432.391     295.377     727.768   9.07 0.000 1.000 0.182 0.167    3922.872     300.000      13.145    0 
-    760000        7599.51     420.775     306.736     727.512   6.42 0.071 0.800 0.309 0.212    3817.492     300.000       8.244    0 
-    770000        7699.51     502.939     226.673     729.612   6.05 0.071 0.667 0.152 0.252    4562.922     300.000       9.027    0 
-    780000        7799.51     474.273     256.289     730.562   6.59 0.000 1.000 0.136 0.385    4302.847     300.000      10.750    0 
-    790000        7899.51     425.798     304.584     730.382   8.52 0.071 0.667 0.152 0.169    3863.059     300.000      10.869    0 
-    800000        7999.51     469.958     260.500     730.458   8.52 0.071 0.500 0.182 0.255    4263.703     300.000      11.362    0 
-    810000        8099.51     399.161     331.264     730.426   9.08 0.000 1.000 0.205 0.333    3621.397     300.000      12.238    0 
-    820000        8199.50     438.166     291.594     729.760   7.52 0.071 0.000 0.136 0.276    3975.271     300.000      11.471    0 
-    830000        8299.46     457.472     280.789     738.261   7.05 0.071 0.500 0.136 0.232    4150.425     300.000       8.837    0 
-    840000        8399.46     464.647     272.745     737.393  10.68 0.000   NaN   NaN 0.770    4215.520     300.000      14.192    0 
-    850000        8499.46     435.744     301.807     737.551   4.60 0.071 0.500 0.205 0.238    3953.293     300.000       8.647    0 
-    860000        8599.46     521.914     215.360     737.274   5.93 0.000 1.000 0.136 0.246    4735.074     300.000      10.641    0 
-    870000        8699.46     419.642     317.192     736.835  11.80 0.071 0.000 0.136 0.518    3807.212     300.000      14.557    0 
-    880000        8799.46     451.233     286.617     737.849   7.55 0.000 1.000 0.136 0.624    4093.818     300.000      11.035    0 
-    890000        8899.46     450.862     288.892     739.754   9.28 0.143 0.714 0.169 0.367    4090.451     300.000      11.768    0 
-    900000        8999.46     430.990     308.293     739.283   5.72 0.000 1.000 0.227 0.234    3910.162     300.000       7.662    0 
-    910000        9099.46     519.667     219.574     739.241   7.44 0.000 1.000 0.152 0.397    4714.686     300.000      10.928    0 
-    920000        9199.46     421.838     317.874     739.712   8.79 0.000 1.000 0.136 0.193    3827.132     300.000      11.774    0 
-    930000        9299.46     426.775     313.229     740.004   4.93 0.000 1.000 0.727 0.241    3871.919     300.000       8.511    0 
-    940000        9399.46     446.605     293.677     740.282   8.31 0.000   NaN   NaN 0.358    4051.831     300.000      10.987    0 
-    950000        9499.46     439.562     300.225     739.787   8.91 0.071 0.500 0.136 0.489    3987.934     300.000      11.759    0 
-    960000        9599.46     452.772     287.093     739.865   5.92 0.000   NaN   NaN 0.232    4107.783     300.000       8.646    0 
-    970000        9699.46     500.457     239.601     740.058   8.12 0.000 1.000 0.159 0.305    4540.402     300.000      10.087    0 
-    980000        9799.46     472.981     266.571     739.551   6.39 0.071 0.667 0.212 0.231    4291.123     300.000       8.965    0 
-    990000        9899.46     504.209     235.196     739.405  10.85 0.000 1.000 0.136 0.157    4574.445     300.000      13.644    0 
-   1000000        9999.46     432.828     307.286     740.114   5.09 0.071 0.500 0.136 0.244    3926.843     300.000       9.653    0 
+         0           0.00      32.462     -51.451     -18.989   2.26 0.786 0.476 0.357 0.199     294.508     300.000       6.690    0 
+     10000         100.00      24.198     -43.186     -18.988   1.93 0.357 0.500 0.200 0.044     219.536     300.000       7.228    0 
+     20000         200.00      23.731     -42.718     -18.987   2.51 0.500 0.417 0.364 0.053     215.296     300.000       7.089    0 
+     30000         300.00      27.981     -46.968     -18.987   2.34 0.500 0.300 0.382 0.037     253.858     300.000       7.325    0 
+     40000         400.00      27.164     -46.151     -18.987   3.41 0.286 0.600 0.209 0.045     246.448     300.000       7.798    0 
+     50000         500.00      26.555     -45.542     -18.987   2.45 0.500 0.462 0.339 0.083     240.919     300.000       7.341    0 
+     60000         600.00      21.770     -40.757     -18.987   2.58 0.429 0.500 0.277 0.066     197.512     300.000       7.230    0 
+     70000         700.00      27.836     -46.822     -18.986   2.77 0.429 0.538 0.241 0.044     252.540     300.000       7.439    0 
+     80000         800.00      25.214     -44.202     -18.988   3.31 0.500 0.562 0.321 0.047     228.757     300.000       7.009    0 
+     90000         900.00      28.926     -47.913     -18.987   3.09 0.571 0.467 0.309 0.058     262.432     300.000       6.921    0 
+    100000        1000.00      25.351     -44.339     -18.988   3.08 0.500 0.300 0.232 0.039     229.996     300.000       7.015    0 
+    110000        1100.00      26.818     -45.806     -18.988   2.95 0.571 0.333 0.239 0.046     243.305     300.000       7.105    0 
+    120000        1200.00      23.546     -42.533     -18.987   3.58 0.429 0.500 0.341 0.058     213.624     300.000       6.976    0 
+    130000        1300.00      26.748     -45.736     -18.988   3.26 0.429 0.600 0.327 0.053     242.669     300.000       6.884    0 
+    140000        1400.00      30.652     -49.641     -18.989   3.36 0.357 0.722 0.364 0.091     278.089     300.000       7.095    0 
+    150000        1500.00      26.743     -45.731     -18.988   3.92 0.286 0.733 0.355 0.081     242.628     300.000       6.525    0 
+    160000        1600.00      23.745     -42.733     -18.987   3.28 0.143 0.667 0.439 0.039     215.429     300.000       7.173    0 
+    170000        1700.00      29.079     -48.068     -18.989   3.41 0.143 0.750 0.415 0.066     263.818     300.000       6.865    0 
+    180000        1800.00      31.789     -50.778     -18.989   3.32 0.286 0.667 0.292 0.077     288.407     300.000       6.991    0 
+    190000        1900.00      27.514     -46.503     -18.988   3.21 0.143 0.833 0.375 0.062     249.626     300.000       6.859    0 
+    200000        2000.00      22.892     -41.881     -18.988   3.42 0.071 0.889 0.313 0.059     207.691     300.000       6.975    0 
+    210000        2100.00      27.425     -46.414     -18.990   2.59 0.429 0.625 0.335 0.045     248.811     300.000       6.694    0 
+    220000        2200.00      20.939     -39.927     -18.988   4.12 0.286 0.714 0.429 0.047     189.967     300.000       6.592    0 
+    230000        2300.00      25.815     -44.804     -18.989   3.63 0.357 0.615 0.360 0.056     234.211     300.000       6.541    0 
+    240000        2400.00      22.502     -41.491     -18.989   3.57 0.429 0.647 0.377 0.059     204.154     300.000       6.409    0 
+    250000        2500.00      35.053     -54.045     -18.992   3.71 0.571 0.652 0.385 0.065     318.020     300.000       6.341    0 
+    260000        2600.00      27.649     -46.638     -18.989   2.93 0.571 0.579 0.330 0.071     250.847     300.000       6.619    0 
+    270000        2700.00      28.027     -47.017     -18.990   3.40 0.214 0.842 0.388 0.064     254.271     300.000       6.475    0 
+    280000        2800.00      27.623     -46.614     -18.991   3.16 0.357 0.706 0.390 0.100     250.608     300.000       6.716    0 
+    290000        2900.00      28.454     -47.442     -18.989   2.74 0.429 0.625 0.312 0.050     258.146     300.000       6.777    0 
+    300000        3000.00      26.131     -45.121     -18.990   2.49 0.357 0.583 0.318 0.076     237.074     300.000       7.014    0 
+    310000        3100.00      22.420     -41.410     -18.990   3.21 0.214 0.750 0.326 0.072     203.405     300.000       6.867    0 
+    320000        3200.00      33.026     -52.016     -18.990   3.13 0.286 0.714 0.331 0.046     299.629     300.000       6.593    0 
+    330000        3300.00      29.749     -48.741     -18.992   3.29 0.214 0.786 0.260 0.109     269.902     300.000       6.860    0 
+    340000        3400.00      24.848     -43.841     -18.992   3.12 0.286 0.692 0.406 0.087     225.436     300.000       6.683    0 
+    350000        3500.00      31.043     -50.034     -18.991   3.40 0.429 0.647 0.340 0.136     281.635     300.000       6.395    0 
+    360000        3600.00      26.871     -45.860     -18.989   3.54 0.357 0.643 0.367 0.103     243.788     300.000       6.564    0 
+    370000        3700.00      36.423     -55.415     -18.992   4.35 0.429 0.684 0.414 0.119     330.448     300.000       6.154    0 
+    380000        3800.00      32.888     -51.879     -18.991   3.74 0.500 0.650 0.425 0.079     298.377     300.000       6.351    0 
+    390000        3900.00      30.565     -49.555     -18.990   3.65 0.429 0.625 0.398 0.068     277.303     300.000       6.352    0 
+    400000        4000.00      27.473     -46.463     -18.991   4.21 0.357 0.706 0.449 0.056     249.245     300.000       6.127    0 
+    410000        4100.00      29.381     -48.370     -18.989   3.86 0.571 0.579 0.359 0.057     266.559     300.000       6.279    0 
+    420000        4200.00      30.271     -49.262     -18.990   4.09 0.429 0.667 0.434 0.095     274.637     300.000       6.480    0 
+    430000        4300.00      28.638     -47.628     -18.990   3.63 0.429 0.667 0.414 0.056     259.820     300.000       6.480    0 
+    440000        4400.00      34.373     -53.365     -18.992   3.61 0.500 0.611 0.404 0.067     311.852     300.000       6.327    0 
+    450000        4500.00      31.718     -50.712     -18.993   3.31 0.429 0.700 0.425 0.051     287.765     300.000       6.446    0 
+    460000        4600.00      29.704     -48.694     -18.989   3.37 0.357 0.643 0.393 0.096     269.493     300.000       6.637    0 
+    470000        4700.00      26.402     -45.392     -18.990   4.23 0.500 0.611 0.389 0.027     239.533     300.000       6.511    0 
+    480000        4800.00      25.292     -44.283     -18.991   3.93 0.571 0.429 0.377 0.071     229.461     300.000       6.477    0 
+    490000        4900.00      26.435     -45.427     -18.992   3.93 0.214 0.769 0.325 0.112     239.830     300.000       6.422    0 
+    500000        5000.00      27.656     -46.647     -18.990   4.10 0.500 0.650 0.425 0.032     250.912     300.000       6.230    0 
+    510000        5100.00      23.309     -42.298     -18.990   4.40 0.286 0.714 0.477 0.055     211.467     300.000       6.729    0 
+    520000        5200.00      30.181     -49.173     -18.992   3.98 0.429 0.667 0.432 0.045     273.817     300.000       6.572    0 
+    530000        5300.00      27.029     -46.022     -18.992   3.93 0.429 0.600 0.412 0.043     245.225     300.000       6.314    0 
+    540000        5400.00      25.538     -44.530     -18.991   4.12 0.357 0.688 0.381 0.062     231.698     300.000       6.343    0 
+    550000        5500.00      28.726     -47.717     -18.991   4.08 0.500 0.696 0.407 0.048     260.621     300.000       6.304    0 
+    560000        5600.00      26.516     -45.507     -18.991   4.21 0.286 0.765 0.508 0.076     240.567     300.000       6.183    0 
+    570000        5700.00      25.367     -44.357     -18.991   3.82 0.357 0.615 0.360 0.069     230.141     300.000       6.491    0 
+    580000        5800.00      26.836     -45.828     -18.992   3.18 0.429 0.500 0.409 0.054     243.473     300.000       6.626    0 
+    590000        5900.00      22.420     -41.411     -18.991   3.85 0.286 0.750 0.364 0.067     203.405     300.000       6.403    0 
+    600000        6000.00      27.793     -46.784     -18.991   3.58 0.357 0.643 0.351 0.063     252.150     300.000       6.692    0 
+    610000        6100.00      34.627     -53.620     -18.992   3.27 0.357 0.615 0.325 0.035     314.155     300.000       6.404    0 
+    620000        6200.00      29.398     -48.390     -18.992   3.32 0.214 0.786 0.429 0.050     266.710     300.000       6.425    0 
+    630000        6300.00      27.227     -46.219     -18.992   3.37 0.357 0.737 0.330 0.094     247.014     300.000       6.306    0 
+    640000        6400.00      30.571     -49.563     -18.992   3.43 0.286 0.778 0.389 0.042     277.360     300.000       6.486    0 
+    650000        6500.00      35.114     -54.106     -18.993   3.74 0.429 0.700 0.373 0.068     318.571     300.000       6.391    0 
+    660000        6600.00      22.828     -41.818     -18.990   2.76 0.286 0.636 0.372 0.043     207.110     300.000       6.990    0 
+    670000        6700.00      28.479     -47.471     -18.993   3.54 0.357 0.688 0.352 0.052     258.375     300.000       6.492    0 
+    680000        6800.00      31.436     -50.429     -18.993   2.96 0.429 0.538 0.339 0.064     285.201     300.000       6.665    0 
+    690000        6900.00      30.457     -49.450     -18.993   2.97 0.429 0.647 0.297 0.063     276.318     300.000       6.641    0 
+    700000        7000.00      26.460     -45.451     -18.991   2.90 0.214 0.750 0.364 0.050     240.062     300.000       6.690    0 
+    710000        7100.00      29.774     -48.768     -18.994   3.28 0.143 0.778 0.278 0.085     270.125     300.000       7.103    0 
+    720000        7200.00      28.116     -47.109     -18.993   3.41 0.286 0.733 0.352 0.048     255.083     300.000       6.736    0 
+    730000        7300.00      31.328     -50.319     -18.992   3.52 0.143 0.867 0.361 0.050     284.220     300.000       6.476    0 
+    740000        7400.00      29.728     -48.721     -18.994   3.27 0.357 0.706 0.390 0.029     269.705     300.000       6.360    0 
+    750000        7500.00      27.285     -46.279     -18.994   3.52 0.500 0.588 0.353 0.102     247.545     300.000       6.541    0 
+    760000        7600.00      30.223     -49.215     -18.992   4.35 0.286 0.714 0.364 0.046     274.199     300.000       6.451    0 
+    770000        7700.00      30.661     -49.655     -18.993   3.70 0.500 0.588 0.393 0.065     278.175     300.000       6.523    0 
+    780000        7800.00      29.927     -48.920     -18.993   4.37 0.429 0.647 0.433 0.052     271.514     300.000       6.428    0 
+    790000        7900.00      25.320     -44.312     -18.992   3.63 0.286 0.714 0.425 0.078     229.715     300.000       6.592    0 
+    800000        8000.00      27.656     -46.649     -18.993   3.76 0.429 0.571 0.422 0.047     250.907     300.000       6.607    0 
+    810000        8100.00      28.642     -47.633     -18.992   4.33 0.286 0.750 0.420 0.076     259.852     300.000       6.469    0 
+    820000        8200.00      31.748     -50.740     -18.991   4.06 0.429 0.700 0.457 0.032     288.038     300.000       6.176    0 
+    830000        8300.00      28.243     -47.235     -18.991   3.81 0.286 0.667 0.303 0.041     256.237     300.000       6.393    0 
+    840000        8400.00      28.477     -47.468     -18.991   3.57 0.429 0.667 0.399 0.034     258.354     300.000       6.501    0 
+    850000        8500.00      28.669     -47.661     -18.992   4.05 0.357 0.500 0.477 0.044     260.099     300.000       6.550    0 
+    860000        8600.00      32.194     -51.186     -18.992   4.13 0.357 0.688 0.341 0.062     292.082     300.000       6.690    0 
+    870000        8700.00      31.260     -50.252     -18.992   3.90 0.429 0.647 0.393 0.050     283.608     300.000       6.473    0 
+    880000        8800.00      25.934     -44.926     -18.992   3.50 0.571 0.500 0.352 0.104     235.285     300.000       6.450    0 
+    890000        8900.00      29.854     -48.845     -18.991   3.93 0.429 0.667 0.371 0.071     270.852     300.000       6.302    0 
+    900000        9000.00      25.662     -44.653     -18.992   3.88 0.357 0.615 0.423 0.098     232.815     300.000       6.500    0 
+    910000        9100.00      29.995     -48.987     -18.993   4.01 0.500 0.533 0.385 0.109     272.127     300.000       6.172    0 
+    920000        9200.00      25.930     -44.922     -18.991   3.92 0.357 0.643 0.416 0.042     235.253     300.000       6.455    0 
+    930000        9300.00      30.820     -49.813     -18.993   4.18 0.429 0.647 0.444 0.108     279.616     300.000       6.234    0 
+    940000        9400.00      30.925     -49.917     -18.992   4.03 0.500 0.632 0.419 0.049     280.569     300.000       6.143    0 
+    950000        9500.00      31.676     -50.666     -18.990   3.78 0.571 0.556 0.391 0.110     287.383     300.000       6.406    0 
+    960000        9600.00      29.844     -48.836     -18.993   4.04 0.500 0.632 0.397 0.098     270.756     300.000       6.235    0 
+    970000        9700.00      30.544     -49.536     -18.992   3.98 0.500 0.588 0.388 0.065     277.108     300.000       6.542    0 
+    980000        9800.00      29.673     -48.666     -18.993   4.16 0.429 0.625 0.366 0.067     269.209     300.000       6.323    0 
+    990000        9900.00      26.321     -45.313     -18.992   3.94 0.357 0.615 0.444 0.040     238.796     300.000       6.421    0 
+   1000000       10000.00      26.269     -45.261     -18.992   4.24 0.429 0.625 0.409 0.063     238.329     300.000       6.367    0 
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB001.stat b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB001.stat
index 4383178..48d11f1 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB001.stat
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB001.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.038     662.810     692.847   0.00 1.000 0.000 0.308 8.660     272.518     300.000       7.001    1 
-     10000         100.00     466.398     226.148     692.546   7.15 0.071 0.000 0.136 0.675    4231.403     300.000      10.954    1 
-     20000         199.99     480.517     213.481     693.998   8.09 0.000 1.000 0.136 0.389    4359.495     300.000      11.761    1 
-     30000         299.99     478.835     215.173     694.008   9.69 0.000   NaN   NaN 0.225    4344.235     300.000      13.685    1 
-     40000         399.99     419.907     276.048     695.955   8.04 0.143 0.600 0.200 0.194    3809.615     300.000       8.459    1 
-     50000         499.98     433.666     260.328     693.994   5.77 0.000 1.000 0.136 0.264    3934.446     300.000      10.680    1 
-     60000         599.97     492.297     201.808     694.105   6.73 0.000 1.000 0.258 0.275    4466.375     300.000       9.900    1 
-     70000         699.97     488.996     205.387     694.383   5.30 0.000 1.000 0.136 0.310    4436.424     300.000       8.277    1 
-     80000         799.97     424.936     270.301     695.237   9.17 0.000 1.000 0.136 0.437    3855.236     300.000      12.835    1 
-     90000         899.97     433.173     262.641     695.814   5.01 0.000 1.000 0.491 0.214    3929.969     300.000       8.252    1 
-    100000         999.97     424.028     272.800     696.827   8.32 0.000 1.000 0.159 0.246    3846.997     300.000      11.339    1 
-    110000        1099.97     443.403     253.421     696.824   6.89 0.214 0.571 0.195 0.503    4022.781     300.000      10.625    1 
-    120000        1199.97     432.673     263.644     696.317   7.70 0.000   NaN   NaN 0.517    3925.432     300.000      11.556    1 
-    130000        1299.97     404.794     290.863     695.657   5.45 0.143 0.500 0.148 0.308    3672.502     300.000       9.431    1 
-    140000        1399.97     482.627     212.746     695.373   5.31 0.000 1.000 0.159 0.497    4378.639     300.000       9.583    1 
-    150000        1499.97     427.853     267.592     695.445   8.27 0.000 1.000 0.136 0.237    3881.704     300.000      12.527    1 
-    160000        1599.96     499.665     194.486     694.151   6.18 0.000   NaN   NaN 0.286    4533.215     300.000      10.828    1 
-    170000        1699.96     467.861     232.471     700.332  10.43 0.000   NaN   NaN 0.157    4244.681     300.000      14.123    1 
-    180000        1799.96     407.643     289.965     697.608   4.75 0.071 0.833 0.288 0.180    3698.351     300.000       8.143    1 
-    190000        1899.95     533.827     168.589     702.416  10.22 0.000   NaN   NaN 0.275    4843.151     300.000      13.794    1 
-    200000        1999.94     385.597     318.392     703.989   5.69 0.000 1.000 0.318 0.458    3498.339     300.000       8.528    1 
-    210000        2099.91     447.629     259.619     707.247   6.91 0.000   NaN   NaN 0.236    4061.120     300.000      11.185    1 
-    220000        2199.92     410.084     297.428     707.513   8.33 0.143 0.500 0.148 0.493    3720.498     300.000      12.452    1 
-    230000        2299.92     485.984     223.946     709.930   6.98 0.071 0.667 0.152 0.478    4409.094     300.000       9.630    1 
-    240000        2399.92     361.192     347.951     709.143   8.52 0.000 1.000 0.136 0.567    3276.924     300.000      10.998    1 
-    250000        2499.89     471.996     230.077     702.072   7.60 0.000 1.000 0.136 0.282    4282.189     300.000      11.775    1 
-    260000        2599.89     444.892     257.009     701.901   8.27 0.000 1.000 0.136 0.244    4036.293     300.000      12.652    1 
-    270000        2699.89     461.447     240.743     702.190   6.41 0.000 1.000 0.136 0.250    4186.487     300.000      11.186    1 
-    280000        2799.89     460.865     241.235     702.100   8.15 0.000   NaN   NaN 0.262    4181.202     300.000      11.056    1 
-    290000        2899.89     431.678     270.938     702.617  10.30 0.000   NaN   NaN 0.213    3916.409     300.000      13.489    1 
-    300000        2999.89     401.132     302.011     703.143   7.55 0.071 0.800 0.182 0.316    3639.279     300.000       8.678    1 
-    310000        3099.89     475.083     228.706     703.789   9.11 0.071 0.500 0.159 0.290    4310.199     300.000      10.749    1 
-    320000        3199.89     522.003     181.720     703.723   7.06 0.000 1.000 0.136 0.117    4735.880     300.000      10.896    1 
-    330000        3299.89     447.251     251.441     698.692   6.46 0.071 0.667 0.182 0.344    4057.690     300.000       9.841    1 
-    340000        3399.89     407.480     290.741     698.221   6.45 0.000   NaN   NaN 0.659    3696.865     300.000      10.344    1 
-    350000        3499.89     445.575     252.539     698.113   6.37 0.000 1.000 0.288 0.359    4042.484     300.000       8.472    1 
-    360000        3599.88     450.242     256.815     707.058  10.37 0.071 0.000 0.136 0.283    4084.832     300.000      14.336    1 
-    370000        3699.87     464.114     241.900     706.015   5.57 0.000 1.000 0.288 0.221    4210.686     300.000       9.084    1 
-    380000        3799.87     459.419     247.149     706.568   9.26 0.000 1.000 0.136 0.204    4168.085     300.000      13.733    1 
-    390000        3899.87     445.962     260.648     706.611   4.91 0.000 1.000 0.136 0.255    4046.001     300.000       9.209    1 
-    400000        3999.87     469.091     236.422     705.514   7.78 0.000 1.000 0.182 0.776    4255.839     300.000      11.388    1 
-    410000        4099.87     467.839     237.803     705.642   8.19 0.000   NaN   NaN 0.134    4244.474     300.000      10.728    1 
-    420000        4199.87     440.418     265.534     705.952   8.93 0.000 1.000 0.148 0.188    3995.704     300.000      11.295    1 
-    430000        4299.87     442.101     263.883     705.984   8.44 0.000 1.000 0.227 0.217    4010.966     300.000      11.422    1 
-    440000        4399.87     432.178     273.660     705.838   7.95 0.000   NaN   NaN 0.173    3920.942     300.000      11.265    1 
-    450000        4499.87     507.661     198.804     706.465   7.14 0.000   NaN   NaN 0.256    4605.765     300.000      10.102    1 
-    460000        4599.83     493.976     210.606     704.582   5.26 0.214 0.000 0.182 0.170    4481.606     300.000       8.617    1 
-    470000        4699.83     499.988     210.154     710.142   6.92 0.000 1.000 0.136 0.380    4536.147     300.000      11.153    1 
-    480000        4799.83     446.089     265.449     711.538   6.00 0.000 1.000 0.197 0.263    4047.151     300.000       8.711    1 
-    490000        4899.83     451.795     259.555     711.349   7.09 0.000   NaN   NaN 0.228    4098.915     300.000      10.945    1 
-    500000        4999.83     503.940     217.171     721.111   6.36 0.071 0.667 0.364 0.430    4572.005     300.000       9.162    1 
-    510000        5099.83     499.632     221.325     720.957  10.02 0.071 0.000 0.136 0.236    4532.917     300.000      13.933    1 
-    520000        5199.83     484.386     238.153     722.539   5.79 0.071 0.500 0.159 0.409    4394.604     300.000       9.480    1 
-    530000        5299.83     362.284     360.048     722.332   6.57 0.071 0.500 0.159 0.357    3286.830     300.000      10.347    1 
-    540000        5399.82     428.870     293.343     722.213   8.24 0.071 0.000 0.136 0.237    3890.931     300.000      11.805    1 
-    550000        5499.82     443.571     278.652     722.224   3.91 0.000 1.000 0.364 0.195    4024.307     300.000       8.691    1 
-    560000        5599.82     523.949     198.132     722.081   6.63 0.071 0.000 0.182 0.328    4753.537     300.000      10.464    1 
-    570000        5699.82     478.905     243.052     721.957   7.93 0.000   NaN   NaN 0.321    4344.871     300.000      12.359    1 
-    580000        5799.82     466.096     254.338     720.434   8.59 0.000   NaN   NaN 0.224    4228.663     300.000      12.855    1 
-    590000        5899.82     430.742     301.710     732.451   4.63 0.000 1.000 0.364 0.208    3907.911     300.000       8.404    1 
-    600000        5999.82     521.727     210.858     732.585   7.65 0.143 0.000 0.159 0.425    4733.377     300.000      10.013    1 
-    610000        6099.82     444.509     288.658     733.168   8.67 0.000 1.000 0.182 0.260    4032.816     300.000      12.371    1 
-    620000        6199.81     485.003     252.922     737.925   7.62 0.000 1.000 0.136 0.291    4400.199     300.000      11.550    1 
-    630000        6299.77     527.694     196.529     724.223   6.80 0.000 1.000 0.227 0.345    4787.514     300.000       9.775    1 
-    640000        6399.77     401.127     323.097     724.224   6.28 0.071 0.500 0.205 0.184    3639.229     300.000       9.536    1 
-    650000        6499.75     456.890     267.772     724.662   7.69 0.071 0.500 0.136 0.132    4145.139     300.000      11.344    1 
-    660000        6599.75     456.993     268.629     725.623   7.71 0.000   NaN   NaN 0.292    4146.081     300.000       8.817    1 
-    670000        6699.75     450.199     275.348     725.547   4.99 0.000 1.000 0.500 0.220    4084.436     300.000       8.928    1 
-    680000        6799.74     457.254     263.624     720.878   7.01 0.071 0.000 0.136 0.254    4148.444     300.000      10.101    1 
-    690000        6899.74     422.029     299.051     721.079   7.44 0.143 0.500 0.148 0.124    3828.861     300.000      10.371    1 
-    700000        6999.73     466.803     254.647     721.450   9.05 0.071 0.750 0.250 0.232    4235.073     300.000      10.977    1 
-    710000        7099.73     443.674     276.913     720.588   6.29 0.071 0.667 0.182 0.294    4025.244     300.000      10.604    1 
-    720000        7199.73     492.889     224.522     717.412  10.08 0.143 0.333 0.136 0.127    4471.747     300.000      13.180    1 
-    730000        7299.73     446.149     270.898     717.047   8.26 0.071 0.667 0.182 0.200    4047.690     300.000      12.147    1 
-    740000        7399.70     497.217     229.435     726.652   7.34 0.000 1.000 0.136 0.319    4511.008     300.000      11.483    1 
-    750000        7499.70     493.851     233.369     727.220  11.17 0.000   NaN   NaN 0.225    4480.472     300.000      14.086    1 
-    760000        7599.70     454.599     271.249     725.848   7.37 0.071 0.500 0.136 0.395    4124.357     300.000      11.097    1 
-    770000        7699.70     379.023     347.739     726.762   6.07 0.000 1.000 0.136 0.121    3438.693     300.000      10.296    1 
-    780000        7799.70     464.015     261.950     725.964   6.98 0.071 0.500 0.136 0.452    4209.783     300.000      10.081    1 
-    790000        7899.70     450.709     274.726     725.435   6.18 0.000 1.000 0.250 0.245    4089.069     300.000       9.385    1 
-    800000        7999.70     511.657     214.152     725.809   7.12 0.143 0.000 0.159 0.247    4642.015     300.000      10.762    1 
-    810000        8099.70     439.954     285.771     725.724   5.06 0.000   NaN   NaN 0.253    3991.486     300.000       9.356    1 
-    820000        8199.70     505.067     220.576     725.643   8.53 0.071 0.000 0.136 0.276    4582.232     300.000      11.306    1 
-    830000        8299.70     528.409     198.009     726.418   7.42 0.071 0.000 0.136 0.203    4794.002     300.000      10.245    1 
-    840000        8399.70     439.580     286.816     726.396  10.31 0.000   NaN   NaN 0.235    3988.093     300.000      14.434    1 
-    850000        8499.70     554.942     171.425     726.367   5.58 0.000   NaN   NaN 0.395    5034.723     300.000      10.652    1 
-    860000        8599.70     489.883     236.130     726.012   7.34 0.071 0.750 0.148 0.247    4444.468     300.000      10.850    1 
-    870000        8699.70     459.805     263.440     723.246   5.45 0.143 0.333 0.152 0.153    4171.591     300.000       9.702    1 
-    880000        8799.70     428.897     297.376     726.273   8.81 0.000   NaN   NaN 0.493    3891.177     300.000      12.647    1 
-    890000        8899.69     490.867     235.532     726.399   6.58 0.214 0.000 0.439 0.350    4453.399     300.000       7.085    1 
-    900000        8999.68     456.275     268.332     724.607  10.39 0.000   NaN   NaN 0.277    4139.562     300.000      12.607    1 
-    910000        9099.66     445.524     285.991     731.515   6.48 0.000   NaN   NaN 0.392    4042.022     300.000      10.162    1 
-    920000        9199.66     492.044     239.081     731.125   7.02 0.071 0.667 0.152 0.218    4464.075     300.000      10.942    1 
-    930000        9299.66     501.164     228.425     729.589   7.93 0.000 1.000 0.136 0.362    4546.818     300.000      11.090    1 
-    940000        9399.66     457.461     271.574     729.034   6.15 0.071 0.500 0.205 0.342    4150.318     300.000      10.555    1 
-    950000        9499.66     430.890     299.899     730.789   8.76 0.000 1.000 0.152 0.223    3909.254     300.000      11.686    1 
-    960000        9599.66     484.854     245.328     730.182   5.29 0.214 0.400 0.173 0.182    4398.844     300.000       9.819    1 
-    970000        9699.66     503.134     225.918     729.051   5.92 0.071 0.750 0.205 0.495    4564.690     300.000       9.193    1 
-    980000        9799.66     435.625     293.658     729.283   8.69 0.000 1.000 0.136 0.207    3952.214     300.000      12.873    1 
-    990000        9899.66     429.407     299.830     729.236   7.67 0.000 1.000 0.136 0.203    3895.798     300.000      10.902    1 
-   1000000        9999.66     438.254     292.394     730.648   6.14 0.143 0.667 0.182 0.201    3976.071     300.000       7.962    1 
+         0           0.00      30.478     -51.451     -20.973   2.26 0.786 0.476 0.357 0.199     276.511     300.000       6.690    1 
+     10000         100.00      27.582     -48.552     -20.970   1.91 0.571 0.529 0.342 0.046     250.234     300.000       6.737    1 
+     20000         200.00      25.105     -46.074     -20.970   1.84 0.643 0.471 0.297 0.041     227.762     300.000       6.670    1 
+     30000         300.00      32.171     -53.141     -20.970   1.93 0.500 0.588 0.313 0.051     291.876     300.000       6.617    1 
+     40000         400.00      24.586     -45.557     -20.971   1.83 0.429 0.500 0.273 0.046     223.060     300.000       6.973    1 
+     50000         500.00      27.130     -48.102     -20.971   1.65 0.571 0.467 0.282 0.051     246.140     300.000       6.953    1 
+     60000         600.00      28.432     -49.403     -20.972   1.79 0.571 0.385 0.392 0.076     257.949     300.000       6.932    1 
+     70000         700.00      24.231     -45.202     -20.971   2.08 0.571 0.273 0.335 0.060     219.838     300.000       6.792    1 
+     80000         800.00      25.606     -46.578     -20.972   1.97 0.500 0.462 0.406 0.078     232.310     300.000       6.776    1 
+     90000         900.00      24.732     -45.704     -20.972   1.67 0.571 0.333 0.352 0.065     224.382     300.000       6.707    1 
+    100000        1000.00      34.059     -55.031     -20.972   2.03 0.429 0.538 0.294 0.072     309.003     300.000       6.765    1 
+    110000        1100.00      29.936     -50.909     -20.973   2.70 0.429 0.571 0.260 0.077     271.597     300.000       6.649    1 
+    120000        1200.00      28.524     -49.498     -20.974   3.29 0.357 0.583 0.269 0.065     258.783     300.000       6.752    1 
+    130000        1300.00      28.141     -49.111     -20.970   2.61 0.429 0.600 0.261 0.035     255.308     300.000       6.748    1 
+    140000        1400.00      28.229     -49.201     -20.972   3.39 0.357 0.688 0.327 0.070     256.111     300.000       6.504    1 
+    150000        1500.00      27.350     -48.325     -20.975   3.90 0.357 0.688 0.295 0.149     248.130     300.000       6.533    1 
+    160000        1600.00      28.062     -49.033     -20.971   2.81 0.500 0.611 0.295 0.052     254.589     300.000       6.684    1 
+    170000        1700.00      26.082     -47.054     -20.972   3.65 0.429 0.600 0.312 0.053     236.628     300.000       6.651    1 
+    180000        1800.00      32.336     -53.308     -20.972   3.63 0.429 0.625 0.270 0.125     293.367     300.000       6.539    1 
+    190000        1900.00      27.054     -48.028     -20.973   2.81 0.429 0.538 0.262 0.094     245.452     300.000       6.786    1 
+    200000        2000.00      29.547     -50.521     -20.973   3.32 0.571 0.467 0.279 0.046     268.070     300.000       6.842    1 
+    210000        2100.00      26.984     -47.956     -20.972   2.89 0.357 0.643 0.269 0.040     244.812     300.000       6.809    1 
+    220000        2200.00      29.349     -50.321     -20.972   2.92 0.357 0.643 0.341 0.096     266.267     300.000       7.047    1 
+    230000        2300.00      22.960     -43.932     -20.973   3.00 0.500 0.462 0.220 0.066     208.304     300.000       6.942    1 
+    240000        2400.00      21.176     -42.148     -20.972   2.39 0.286 0.667 0.326 0.036     192.123     300.000       6.736    1 
+    250000        2500.00      24.188     -45.161     -20.972   2.64 0.500 0.417 0.273 0.074     219.450     300.000       6.537    1 
+    260000        2600.00      26.806     -47.779     -20.973   3.01 0.500 0.500 0.292 0.027     243.201     300.000       6.520    1 
+    270000        2700.00      25.858     -46.829     -20.971   3.10 0.643 0.357 0.308 0.045     234.595     300.000       6.448    1 
+    280000        2800.00      21.721     -42.693     -20.972   2.57 0.357 0.615 0.266 0.060     197.068     300.000       6.696    1 
+    290000        2900.00      23.803     -44.774     -20.972   2.09 0.500 0.417 0.186 0.044     215.949     300.000       6.990    1 
+    300000        3000.00      26.781     -47.753     -20.971   2.99 0.500 0.611 0.285 0.069     242.974     300.000       6.669    1 
+    310000        3100.00      22.321     -43.294     -20.972   2.96 0.500 0.462 0.255 0.079     202.512     300.000       6.902    1 
+    320000        3200.00      28.797     -49.769     -20.972   3.08 0.429 0.538 0.287 0.037     261.262     300.000       6.578    1 
+    330000        3300.00      27.776     -48.748     -20.972   3.32 0.357 0.643 0.279 0.061     252.001     300.000       6.790    1 
+    340000        3400.00      27.932     -48.903     -20.972   3.44 0.357 0.706 0.294 0.050     253.410     300.000       6.865    1 
+    350000        3500.00      29.140     -50.112     -20.972   3.76 0.357 0.667 0.315 0.035     264.372     300.000       6.815    1 
+    360000        3600.00      25.646     -46.618     -20.972   3.25 0.429 0.538 0.227 0.122     232.673     300.000       6.798    1 
+    370000        3700.00      24.400     -45.372     -20.972   2.01 0.214 0.769 0.262 0.055     221.369     300.000       6.832    1 
+    380000        3800.00      27.611     -48.583     -20.972   2.73 0.357 0.667 0.333 0.052     250.499     300.000       6.767    1 
+    390000        3900.00      29.431     -50.403     -20.972   2.84 0.429 0.625 0.312 0.054     267.014     300.000       6.673    1 
+    400000        4000.00      25.991     -46.964     -20.972   3.48 0.500 0.611 0.328 0.059     235.806     300.000       6.694    1 
+    410000        4100.00      27.035     -48.008     -20.973   2.57 0.500 0.462 0.283 0.067     245.271     300.000       6.531    1 
+    420000        4200.00      25.406     -46.379     -20.973   2.52 0.500 0.562 0.315 0.114     230.496     300.000       6.743    1 
+    430000        4300.00      27.900     -48.874     -20.974   3.91 0.214 0.786 0.425 0.079     253.123     300.000       6.460    1 
+    440000        4400.00      28.314     -49.287     -20.973   3.09 0.429 0.625 0.293 0.060     256.877     300.000       6.805    1 
+    450000        4500.00      24.495     -45.467     -20.973   3.79 0.357 0.615 0.325 0.053     222.228     300.000       6.727    1 
+    460000        4600.00      27.720     -48.691     -20.971   2.97 0.429 0.538 0.255 0.023     251.489     300.000       6.785    1 
+    470000        4700.00      29.076     -50.049     -20.974   3.05 0.357 0.500 0.318 0.066     263.790     300.000       6.741    1 
+    480000        4800.00      23.157     -44.128     -20.971   2.86 0.357 0.667 0.264 0.035     210.096     300.000       6.756    1 
+    490000        4900.00      28.986     -49.960     -20.973   3.96 0.286 0.636 0.273 0.058     262.980     300.000       7.173    1 
+    500000        5000.00      29.664     -50.636     -20.972   3.02 0.286 0.636 0.331 0.045     269.129     300.000       6.945    1 
+    510000        5100.00      26.912     -47.885     -20.973   3.41 0.214 0.727 0.269 0.050     244.160     300.000       6.922    1 
+    520000        5200.00      25.602     -46.575     -20.973   2.47 0.429 0.571 0.302 0.060     232.278     300.000       6.615    1 
+    530000        5300.00      30.397     -51.370     -20.973   3.62 0.357 0.643 0.250 0.107     275.780     300.000       6.748    1 
+    540000        5400.00      22.676     -43.647     -20.971   3.49 0.214 0.700 0.250 0.132     205.729     300.000       7.002    1 
+    550000        5500.00      26.134     -47.106     -20.972   3.48 0.286 0.714 0.305 0.092     237.099     300.000       6.876    1 
+    560000        5600.00      22.450     -43.423     -20.973   3.35 0.429 0.647 0.350 0.051     203.681     300.000       6.738    1 
+    570000        5700.00      24.011     -44.984     -20.973   3.48 0.500 0.533 0.333 0.028     217.837     300.000       6.660    1 
+    580000        5800.00      31.521     -52.495     -20.974   3.15 0.286 0.750 0.259 0.055     285.974     300.000       6.603    1 
+    590000        5900.00      31.431     -52.404     -20.974   2.37 0.429 0.500 0.292 0.072     285.157     300.000       6.973    1 
+    600000        6000.00      28.176     -49.150     -20.974   2.94 0.429 0.625 0.301 0.037     255.631     300.000       6.625    1 
+    610000        6100.00      25.026     -46.000     -20.974   2.64 0.500 0.562 0.315 0.094     227.047     300.000       6.437    1 
+    620000        6200.00      24.716     -45.689     -20.973   2.09 0.500 0.588 0.356 0.060     224.233     300.000       6.558    1 
+    630000        6300.00      25.815     -46.788     -20.973   3.11 0.214 0.750 0.330 0.049     234.206     300.000       6.787    1 
+    640000        6400.00      23.018     -43.991     -20.973   2.91 0.429 0.500 0.314 0.075     208.835     300.000       6.523    1 
+    650000        6500.00      25.900     -46.874     -20.973   2.64 0.286 0.778 0.361 0.068     234.980     300.000       6.482    1 
+    660000        6600.00      29.648     -50.622     -20.974   2.87 0.429 0.684 0.321 0.096     268.983     300.000       6.552    1 
+    670000        6700.00      26.113     -47.087     -20.974   2.33 0.357 0.615 0.217 0.069     236.915     300.000       6.732    1 
+    680000        6800.00      28.067     -49.041     -20.974   2.26 0.429 0.500 0.341 0.060     254.638     300.000       6.895    1 
+    690000        6900.00      27.732     -48.707     -20.976   2.71 0.214 0.700 0.386 0.097     251.596     300.000       6.879    1 
+    700000        7000.00      23.021     -43.995     -20.973   3.35 0.429 0.600 0.352 0.058     208.861     300.000       6.464    1 
+    710000        7100.00      24.075     -45.048     -20.973   3.18 0.214 0.700 0.400 0.044     218.419     300.000       6.796    1 
+    720000        7200.00      21.410     -42.383     -20.974   2.75 0.429 0.571 0.325 0.062     194.240     300.000       6.553    1 
+    730000        7300.00      26.330     -47.304     -20.974   2.23 0.357 0.667 0.233 0.073     238.881     300.000       7.176    1 
+    740000        7400.00      22.477     -43.451     -20.975   3.77 0.143 0.818 0.285 0.051     203.921     300.000       6.450    1 
+    750000        7500.00      25.404     -46.379     -20.975   3.87 0.429 0.647 0.307 0.086     230.481     300.000       6.315    1 
+    760000        7600.00      26.150     -47.126     -20.976   2.20 0.571 0.385 0.350 0.070     237.246     300.000       7.122    1 
+    770000        7700.00      28.258     -49.232     -20.974   3.23 0.429 0.571 0.312 0.070     256.368     300.000       6.661    1 
+    780000        7800.00      19.221     -40.194     -20.973   3.74 0.214 0.625 0.318 0.039     174.386     300.000       6.859    1 
+    790000        7900.00      26.141     -47.114     -20.973   3.18 0.214 0.786 0.305 0.110     237.167     300.000       6.362    1 
+    800000        8000.00      31.434     -52.409     -20.975   2.64 0.500 0.562 0.290 0.072     285.186     300.000       6.572    1 
+    810000        8100.00      28.151     -49.126     -20.975   2.63 0.500 0.650 0.339 0.079     255.401     300.000       6.468    1 
+    820000        8200.00      28.108     -49.084     -20.976   2.10 0.357 0.643 0.295 0.082     255.008     300.000       6.634    1 
+    830000        8300.00      30.748     -51.724     -20.976   2.33 0.286 0.733 0.373 0.049     278.964     300.000       6.654    1 
+    840000        8400.00      31.927     -52.902     -20.975   2.36 0.357 0.667 0.279 0.053     289.658     300.000       6.579    1 
+    850000        8500.00      20.264     -41.238     -20.974   3.14 0.214 0.750 0.254 0.070     183.845     300.000       6.540    1 
+    860000        8600.00      29.600     -50.575     -20.975   3.10 0.429 0.538 0.248 0.090     268.542     300.000       6.668    1 
+    870000        8700.00      23.111     -44.085     -20.975   3.57 0.429 0.538 0.336 0.127     209.673     300.000       6.762    1 
+    880000        8800.00      26.711     -47.685     -20.974   3.58 0.286 0.636 0.236 0.056     242.335     300.000       6.769    1 
+    890000        8900.00      26.086     -47.060     -20.974   4.13 0.357 0.667 0.321 0.072     236.663     300.000       6.596    1 
+    900000        9000.00      29.439     -50.415     -20.976   4.18 0.286 0.636 0.347 0.074     267.084     300.000       6.708    1 
+    910000        9100.00      29.954     -50.930     -20.975   3.60 0.500 0.611 0.333 0.132     271.762     300.000       6.526    1 
+    920000        9200.00      24.228     -45.203     -20.975   4.39 0.286 0.667 0.364 0.070     219.810     300.000       6.504    1 
+    930000        9300.00      28.154     -49.129     -20.975   3.35 0.429 0.647 0.364 0.058     255.431     300.000       6.838    1 
+    940000        9400.00      20.205     -41.180     -20.976   3.23 0.357 0.615 0.325 0.087     183.307     300.000       6.861    1 
+    950000        9500.00      25.391     -46.367     -20.976   3.30 0.357 0.643 0.321 0.061     230.358     300.000       6.557    1 
+    960000        9600.00      28.839     -49.815     -20.976   3.39 0.214 0.769 0.360 0.058     261.642     300.000       6.562    1 
+    970000        9700.00      29.821     -50.797     -20.976   3.02 0.500 0.611 0.343 0.074     270.553     300.000       6.407    1 
+    980000        9800.00      29.214     -50.193     -20.979   2.97 0.500 0.500 0.279 0.085     265.047     300.000       6.686    1 
+    990000        9900.00      24.764     -45.736     -20.972   2.89 0.357 0.688 0.330 0.031     224.674     300.000       6.759    1 
+   1000000       10000.00      29.244     -50.222     -20.977   3.25 0.357 0.737 0.330 0.057     265.320     300.000       6.352    1 
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB002.stat b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB002.stat
index d5569a6..4ddd7b8 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB002.stat
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB002.stat
@@ -1,101 +1,101 @@
-         0           0.00      33.415     662.810     696.224   0.00 1.000 0.000 0.308 8.660     303.155     300.000       7.001    2 
-     10000         100.00     421.413     272.147     693.560   7.18 0.000   NaN   NaN 0.375    3823.273     300.000      11.068    2 
-     20000         200.00     423.223     269.857     693.081   6.81 0.000 1.000 0.273 0.243    3839.700     300.000      11.510    2 
-     30000         300.00     398.917     290.395     689.312   5.27 0.000 1.000 0.136 0.413    3619.184     300.000       9.397    2 
-     40000         400.00     399.137     290.252     689.388   7.51 0.071 0.000 0.136 0.166    3621.174     300.000      10.335    2 
-     50000         500.00     456.756     233.093     689.849   6.44 0.000 1.000 0.182 0.136    4143.926     300.000      10.444    2 
-     60000         600.00     427.827     261.781     689.608   7.17 0.000   NaN   NaN 0.534    3881.469     300.000      10.904    2 
-     70000         699.99     386.421     303.045     689.466   5.93 0.000 1.000 0.136 0.592    3505.814     300.000       8.883    2 
-     80000         799.99     421.955     267.516     689.472   8.05 0.000 1.000 0.136 0.187    3828.197     300.000      12.272    2 
-     90000         899.99     493.630     195.071     688.701  10.32 0.071 0.000 0.182 0.177    4478.463     300.000      13.210    2 
-    100000         999.99     463.622     224.224     687.847   8.95 0.000 1.000 0.159 0.202    4206.222     300.000      11.070    2 
-    110000        1099.99     462.491     225.388     687.879  11.45 0.000 1.000 0.136 0.216    4195.959     300.000      14.015    2 
-    120000        1199.99     438.711     248.906     687.617   4.75 0.000   NaN   NaN 0.264    3980.214     300.000       9.691    2 
-    130000        1299.99     475.706     211.355     687.061  10.66 0.000   NaN   NaN 0.315    4315.849     300.000      14.197    2 
-    140000        1399.98     438.740     249.303     688.043   7.12 0.000 1.000 0.245 0.196    3980.474     300.000       9.787    2 
-    150000        1499.98     406.692     279.893     686.585   5.66 0.000   NaN   NaN 0.310    3689.720     300.000       9.927    2 
-    160000        1599.98     436.049     249.164     685.213   7.46 0.000 1.000 0.136 0.220    3956.062     300.000      10.318    2 
-    170000        1699.98     397.629     287.575     685.204   9.50 0.071 0.000 0.136 0.483    3607.497     300.000      13.443    2 
-    180000        1799.94     488.319     210.224     698.543   9.67 0.071 0.000 0.182 0.417    4430.279     300.000      12.707    2 
-    190000        1899.94     500.505     197.955     698.460   9.05 0.000   NaN   NaN 0.166    4540.836     300.000      11.487    2 
-    200000        1999.94     398.677     299.709     698.386   9.22 0.000 1.000 0.136 0.358    3617.000     300.000      12.788    2 
-    210000        2099.93     488.250     211.368     699.618  10.10 0.071 0.500 0.136 0.263    4429.652     300.000      12.834    2 
-    220000        2199.93     456.621     242.986     699.607   9.25 0.000 1.000 0.159 0.288    4142.700     300.000      12.765    2 
-    230000        2299.93     473.298     226.141     699.438   7.70 0.000 1.000 0.227 0.257    4294.000     300.000       8.473    2 
-    240000        2399.93     503.061     197.210     700.271  11.91 0.000 1.000 0.182 0.274    4564.028     300.000      14.665    2 
-    250000        2499.93     438.298     261.658     699.956   6.39 0.071 0.500 0.136 0.167    3976.462     300.000       9.374    2 
-    260000        2599.93     450.151     249.603     699.754  11.65 0.071 0.000 0.136 0.155    4084.002     300.000      14.774    2 
-    270000        2699.92     455.258     244.847     700.105   6.87 0.071 0.667 0.167 0.202    4130.332     300.000       9.681    2 
-    280000        2799.92     442.112     257.987     700.100   9.90 0.000 1.000 0.152 0.416    4011.072     300.000      13.089    2 
-    290000        2899.92     423.611     276.193     699.805   5.10 0.071 0.667 0.167 0.290    3843.222     300.000       8.748    2 
-    300000        2999.92     457.809     241.485     699.293   6.94 0.000   NaN   NaN 0.216    4153.477     300.000      10.829    2 
-    310000        3099.92     447.077     252.022     699.098   8.20 0.000   NaN   NaN 0.209    4056.109     300.000      12.330    2 
-    320000        3199.92     426.643     272.321     698.964   8.90 0.000 1.000 0.227 0.149    3870.725     300.000      12.258    2 
-    330000        3299.91     481.214     214.420     695.634   7.72 0.000 1.000 0.136 0.282    4365.823     300.000      10.014    2 
-    340000        3399.91     488.595     208.015     696.609  11.19 0.000   NaN   NaN 0.296    4432.783     300.000      14.563    2 
-    350000        3499.91     391.481     304.547     696.028   3.77 0.071 0.000 0.545 0.369    3551.715     300.000       8.715    2 
-    360000        3599.91     503.276     193.620     696.896   6.64 0.071 0.750 0.182 0.236    4565.980     300.000      10.794    2 
-    370000        3699.91     393.264     301.720     694.984   6.65 0.071 0.667 0.167 0.294    3567.897     300.000      10.331    2 
-    380000        3799.91     440.766     254.569     695.335   9.67 0.000 1.000 0.159 0.174    3998.854     300.000      12.476    2 
-    390000        3899.91     408.941     287.235     696.177   8.04 0.000 1.000 0.182 0.279    3710.128     300.000      11.259    2 
-    400000        3999.91     425.228     270.881     696.108   5.66 0.000   NaN   NaN 0.323    3857.884     300.000      10.312    2 
-    410000        4099.91     403.689     293.939     697.628  10.28 0.000   NaN   NaN 0.207    3662.476     300.000      13.526    2 
-    420000        4199.91     470.625     227.358     697.983   6.72 0.000 1.000 0.205 0.329    4269.754     300.000      10.367    2 
-    430000        4299.91     407.350     290.396     697.746   4.85 0.000 1.000 0.214 0.381    3695.689     300.000       9.015    2 
-    440000        4399.91     497.736     199.310     697.046   9.53 0.000 1.000 0.136 0.302    4515.721     300.000      13.287    2 
-    450000        4499.91     436.221     261.158     697.379   5.64 0.071 0.500 0.159 0.238    3957.625     300.000      10.280    2 
-    460000        4599.90     464.467     233.184     697.651   6.10 0.000   NaN   NaN 0.203    4213.882     300.000      11.133    2 
-    470000        4699.90     418.545     277.930     696.475   8.91 0.000 1.000 0.227 0.163    3797.261     300.000      12.464    2 
-    480000        4799.88     435.390     258.373     693.763   7.20 0.071 0.500 0.159 0.231    3950.080     300.000      11.040    2 
-    490000        4899.88     539.805     154.406     694.211   6.74 0.000 1.000 0.159 0.203    4897.391     300.000      10.317    2 
-    500000        4999.88     452.395     243.164     695.560  11.06 0.000 1.000 0.136 0.145    4104.364     300.000      14.130    2 
-    510000        5099.88     440.937     254.580     695.517   6.97 0.000 1.000 0.402 0.281    4000.408     300.000       8.275    2 
-    520000        5199.88     435.769     259.761     695.530   9.83 0.000   NaN   NaN 0.169    3953.525     300.000      13.693    2 
-    530000        5299.84     396.872     299.878     696.750   7.81 0.000 1.000 0.205 0.242    3600.626     300.000      10.624    2 
-    540000        5399.84     388.039     309.241     697.279   5.57 0.071 0.500 0.159 0.149    3520.488     300.000       9.822    2 
-    550000        5499.84     460.202     235.786     695.988  10.13 0.000 1.000 0.136 0.198    4175.192     300.000      12.657    2 
-    560000        5599.84     471.590     224.369     695.959   6.85 0.000 1.000 0.159 0.252    4278.511     300.000      10.723    2 
-    570000        5699.84     501.637     194.577     696.214   4.83 0.000 1.000 0.318 0.362    4551.108     300.000       8.265    2 
-    580000        5799.84     439.678     257.045     696.723   9.81 0.000 1.000 0.250 0.418    3988.982     300.000      13.694    2 
-    590000        5899.84     460.530     236.287     696.817   4.74 0.071 0.875 0.244 0.306    4178.168     300.000       8.111    2 
-    600000        5999.84     447.244     249.020     696.265   4.82 0.143 0.000 0.182 0.133    4057.632     300.000       8.612    2 
-    610000        6099.84     475.874     220.801     696.675  11.88 0.000 1.000 0.136 0.386    4317.373     300.000      14.964    2 
-    620000        6199.84     455.354     241.270     696.624   7.11 0.143 0.333 0.136 0.393    4131.207     300.000       8.822    2 
-    630000        6299.84     409.369     289.747     699.115   5.40 0.000   NaN   NaN 0.167    3714.003     300.000       9.818    2 
-    640000        6399.84     424.046     274.836     698.882   8.68 0.000   NaN   NaN 0.195    3847.168     300.000      12.696    2 
-    650000        6499.84     410.152     288.823     698.975   8.36 0.000 1.000 0.227 0.180    3721.110     300.000      10.851    2 
-    660000        6599.84     495.513     207.045     702.558   4.74 0.071 0.889 0.323 0.193    4495.552     300.000       7.745    2 
-    670000        6699.84     419.845     282.441     702.286   9.75 0.000 1.000 0.136 0.222    3809.049     300.000      13.777    2 
-    680000        6799.84     415.796     285.565     701.361   4.51 0.000   NaN   NaN 0.333    3772.320     300.000       8.473    2 
-    690000        6899.83     497.059     204.061     701.119  11.18 0.000 1.000 0.136 0.288    4509.574     300.000      14.043    2 
-    700000        6999.82     441.179     259.494     700.674   4.56 0.000 1.000 0.159 0.206    4002.605     300.000       8.623    2 
-    710000        7099.81     460.577     244.337     704.914   7.55 0.000   NaN   NaN 0.204    4178.591     300.000      11.930    2 
-    720000        7199.81     389.066     314.819     703.885   6.57 0.071 0.833 0.242 0.356    3529.810     300.000       9.563    2 
-    730000        7299.81     497.930     205.607     703.536   6.54 0.071 0.000 0.136 0.326    4517.476     300.000       9.724    2 
-    740000        7399.80     430.026     274.607     704.633   5.66 0.071 0.000 0.591 0.357    3901.414     300.000      10.394    2 
-    750000        7499.80     481.088     223.536     704.624   5.79 0.000 1.000 0.136 0.674    4364.679     300.000       9.914    2 
-    760000        7599.80     439.023     265.474     704.497   9.14 0.000   NaN   NaN 0.278    3983.040     300.000      12.425    2 
-    770000        7699.80     474.806     229.766     704.572   6.48 0.071 0.500 0.159 0.151    4307.682     300.000       9.479    2 
-    780000        7799.79     459.219     244.058     703.277   7.80 0.000 1.000 0.182 0.103    4166.273     300.000      10.698    2 
-    790000        7899.79     471.463     231.157     702.620   4.55 0.000 1.000 0.193 0.234    4277.356     300.000       7.997    2 
-    800000        7999.79     391.799     310.564     702.362   9.88 0.000   NaN   NaN 0.219    3554.600     300.000      12.705    2 
-    810000        8099.78     447.953     253.528     701.481   7.69 0.000   NaN   NaN 0.444    4064.065     300.000      11.977    2 
-    820000        8199.77     405.016     296.160     701.176   6.88 0.000 1.000 0.136 0.285    3674.518     300.000      10.169    2 
-    830000        8299.77     450.830     251.439     702.269   6.35 0.071 0.000 0.136 0.125    4090.163     300.000      10.111    2 
-    840000        8399.77     433.540     269.846     703.386   6.62 0.000 1.000 0.167 0.252    3933.297     300.000       9.395    2 
-    850000        8499.76     438.810     271.798     710.609   6.60 0.000 1.000 0.291 0.208    3981.113     300.000       8.317    2 
-    860000        8599.76     423.867     286.703     710.570   9.16 0.000   NaN   NaN 0.372    3845.537     300.000      13.224    2 
-    870000        8699.76     391.365     321.577     712.942   3.91 0.071 0.750 0.239 0.328    3550.666     300.000       8.499    2 
-    880000        8799.76     467.362     246.451     713.813  10.35 0.000   NaN   NaN 0.226    4240.150     300.000      13.254    2 
-    890000        8899.76     447.983     265.956     713.939   6.14 0.071 0.667 0.258 0.277    4064.329     300.000       9.685    2 
-    900000        8999.76     507.106     206.610     713.716   8.41 0.000   NaN   NaN 0.218    4600.724     300.000      11.929    2 
-    910000        9099.75     501.815     210.568     712.384   7.66 0.000 1.000 0.205 0.129    4552.726     300.000       9.147    2 
-    920000        9199.75     474.968     237.234     712.202   5.05 0.000   NaN   NaN 0.253    4309.158     300.000       9.621    2 
-    930000        9299.75     471.980     239.660     711.641   7.90 0.000   NaN   NaN 0.187    4282.049     300.000      10.420    2 
-    940000        9399.75     417.850     294.269     712.119   6.82 0.000   NaN   NaN 0.274    3790.952     300.000       9.154    2 
-    950000        9499.75     407.485     308.309     715.794   5.87 0.214 0.250 0.205 0.242    3696.915     300.000       9.545    2 
-    960000        9599.66     444.525     283.878     728.403   8.91 0.000 1.000 0.261 0.482    4032.961     300.000      12.259    2 
-    970000        9699.66     499.025     229.413     728.439   6.11 0.000   NaN   NaN 0.232    4527.415     300.000      11.095    2 
-    980000        9799.66     475.137     253.507     728.644   7.81 0.000 1.000 0.136 0.442    4310.690     300.000      12.254    2 
-    990000        9899.66     505.818     222.748     728.566   7.10 0.000   NaN   NaN 0.405    4589.039     300.000      10.880    2 
-   1000000        9999.66     476.050     252.172     728.222   4.59 0.000 1.000 0.258 0.221    4318.967     300.000       9.279    2 
+         0           0.00      33.787     -51.451     -17.664   2.26 0.786 0.476 0.357 0.199     306.532     300.000       6.690    2 
+     10000         100.00      28.424     -46.084     -17.661   1.97 0.571 0.429 0.312 0.061     257.873     300.000       7.035    2 
+     20000         200.00      34.106     -51.768     -17.663   2.54 0.643 0.571 0.348 0.058     309.423     300.000       6.388    2 
+     30000         300.00      29.711     -47.372     -17.661   3.01 0.357 0.722 0.316 0.060     269.556     300.000       6.557    2 
+     40000         400.00      29.524     -47.185     -17.661   2.43 0.643 0.591 0.337 0.063     267.858     300.000       6.370    2 
+     50000         500.00      21.986     -39.645     -17.659   2.35 0.571 0.500 0.239 0.083     199.471     300.000       6.725    2 
+     60000         600.00      31.134     -48.796     -17.662   1.68 0.643 0.400 0.336 0.082     282.466     300.000       6.862    2 
+     70000         700.00      30.177     -47.840     -17.663   2.37 0.429 0.600 0.200 0.060     273.784     300.000       6.858    2 
+     80000         800.00      27.771     -45.432     -17.661   2.12 0.500 0.500 0.269 0.064     251.953     300.000       6.581    2 
+     90000         900.00      26.691     -44.351     -17.660   2.50 0.357 0.545 0.264 0.065     242.153     300.000       6.858    2 
+    100000        1000.00      33.121     -50.782     -17.661   3.18 0.500 0.533 0.303 0.060     300.489     300.000       6.848    2 
+    110000        1100.00      27.120     -44.782     -17.662   2.64 0.429 0.571 0.279 0.050     246.047     300.000       6.798    2 
+    120000        1200.00      30.696     -48.357     -17.661   3.10 0.357 0.545 0.318 0.060     278.489     300.000       6.724    2 
+    130000        1300.00      27.308     -44.970     -17.662   3.44 0.500 0.500 0.334 0.060     247.754     300.000       6.529    2 
+    140000        1400.00      23.667     -41.328     -17.661   2.28 0.357 0.444 0.278 0.033     214.720     300.000       6.992    2 
+    150000        1500.00      27.245     -44.907     -17.662   2.83 0.286 0.556 0.202 0.054     247.184     300.000       6.973    2 
+    160000        1600.00      24.904     -42.566     -17.662   2.14 0.429 0.500 0.318 0.051     225.939     300.000       6.999    2 
+    170000        1700.00      27.512     -45.172     -17.661   2.47 0.357 0.583 0.299 0.039     249.601     300.000       6.976    2 
+    180000        1800.00      29.899     -47.558     -17.659   3.33 0.500 0.562 0.290 0.043     271.257     300.000       6.859    2 
+    190000        1900.00      22.777     -40.437     -17.660   2.64 0.643 0.400 0.306 0.092     206.641     300.000       6.895    2 
+    200000        2000.00      28.976     -46.636     -17.659   2.87 0.357 0.583 0.258 0.092     262.888     300.000       6.732    2 
+    210000        2100.00      25.383     -43.042     -17.659   3.16 0.500 0.500 0.218 0.066     230.292     300.000       7.464    2 
+    220000        2200.00      28.478     -46.137     -17.659   2.57 0.357 0.583 0.242 0.066     258.367     300.000       7.012    2 
+    230000        2300.00      25.518     -43.175     -17.658   3.39 0.357 0.545 0.285 0.066     231.510     300.000       6.596    2 
+    240000        2400.00      25.069     -42.727     -17.658   2.40 0.429 0.538 0.283 0.031     227.440     300.000       7.087    2 
+    250000        2500.00      24.058     -41.716     -17.658   2.80 0.357 0.583 0.258 0.083     218.268     300.000       6.924    2 
+    260000        2600.00      24.263     -41.923     -17.660   3.26 0.429 0.647 0.334 0.094     220.128     300.000       6.508    2 
+    270000        2700.00      31.303     -48.961     -17.658   2.97 0.429 0.600 0.361 0.066     283.995     300.000       6.537    2 
+    280000        2800.00      27.994     -45.653     -17.659   3.74 0.357 0.737 0.411 0.056     253.979     300.000       6.179    2 
+    290000        2900.00      27.257     -44.916     -17.658   2.62 0.500 0.533 0.309 0.079     247.294     300.000       6.756    2 
+    300000        3000.00      36.759     -54.418     -17.659   3.41 0.357 0.706 0.366 0.040     333.498     300.000       6.291    2 
+    310000        3100.00      31.871     -49.530     -17.659   3.54 0.500 0.611 0.341 0.081     289.151     300.000       6.244    2 
+    320000        3200.00      32.784     -50.444     -17.660   3.59 0.357 0.545 0.380 0.095     297.436     300.000       6.419    2 
+    330000        3300.00      35.243     -52.902     -17.659   3.62 0.500 0.650 0.382 0.078     319.745     300.000       6.365    2 
+    340000        3400.00      32.762     -50.421     -17.659   3.40 0.286 0.692 0.315 0.047     297.234     300.000       6.755    2 
+    350000        3500.00      31.044     -48.701     -17.657   3.44 0.286 0.692 0.395 0.058     281.651     300.000       7.073    2 
+    360000        3600.00      36.689     -54.349     -17.659   3.32 0.214 0.769 0.343 0.039     332.863     300.000       6.929    2 
+    370000        3700.00      26.348     -44.006     -17.658   3.66 0.286 0.692 0.346 0.056     239.042     300.000       6.778    2 
+    380000        3800.00      27.531     -45.190     -17.659   3.23 0.429 0.647 0.342 0.058     249.774     300.000       6.553    2 
+    390000        3900.00      29.988     -47.646     -17.659   3.39 0.214 0.812 0.330 0.119     272.063     300.000       6.671    2 
+    400000        4000.00      25.385     -43.043     -17.659   3.50 0.214 0.769 0.283 0.086     230.303     300.000       6.992    2 
+    410000        4100.00      28.207     -45.866     -17.660   3.06 0.357 0.750 0.366 0.060     255.906     300.000       6.572    2 
+    420000        4200.00      26.946     -44.604     -17.658   3.03 0.286 0.714 0.334 0.027     244.464     300.000       6.873    2 
+    430000        4300.00      30.961     -48.620     -17.659   2.67 0.429 0.600 0.321 0.056     280.895     300.000       6.742    2 
+    440000        4400.00      29.628     -47.287     -17.659   3.35 0.286 0.692 0.290 0.062     268.801     300.000       6.767    2 
+    450000        4500.00      33.424     -51.084     -17.660   2.96 0.357 0.762 0.351 0.082     303.242     300.000       6.485    2 
+    460000        4600.00      25.866     -43.524     -17.659   3.26 0.214 0.769 0.283 0.047     234.666     300.000       6.598    2 
+    470000        4700.00      29.660     -47.320     -17.660   3.61 0.286 0.714 0.305 0.072     269.091     300.000       6.928    2 
+    480000        4800.00      27.902     -45.561     -17.659   3.13 0.143 0.833 0.394 0.040     253.143     300.000       6.794    2 
+    490000        4900.00      20.126     -37.784     -17.658   3.97 0.286 0.692 0.339 0.031     182.598     300.000       6.594    2 
+    500000        5000.00      26.723     -44.384     -17.661   3.39 0.286 0.750 0.287 0.077     242.444     300.000       6.961    2 
+    510000        5100.00      29.547     -47.207     -17.660   3.47 0.429 0.600 0.309 0.039     268.066     300.000       6.680    2 
+    520000        5200.00      27.813     -45.472     -17.659   3.46 0.143 0.867 0.297 0.068     252.332     300.000       6.976    2 
+    530000        5300.00      26.860     -44.519     -17.659   3.25 0.286 0.750 0.312 0.108     243.691     300.000       7.077    2 
+    540000        5400.00      29.383     -47.043     -17.660   3.63 0.143 0.833 0.330 0.130     266.574     300.000       6.775    2 
+    550000        5500.00      28.210     -45.870     -17.660   3.42 0.357 0.737 0.347 0.074     255.936     300.000       6.546    2 
+    560000        5600.00      27.630     -45.290     -17.659   3.47 0.214 0.700 0.300 0.072     250.677     300.000       6.652    2 
+    570000        5700.00      20.412     -38.068     -17.655   3.34 0.214 0.812 0.347 0.054     185.190     300.000       6.657    2 
+    580000        5800.00      30.981     -48.642     -17.661   3.54 0.286 0.789 0.294 0.064     281.080     300.000       6.439    2 
+    590000        5900.00      29.198     -46.858     -17.661   3.16 0.214 0.800 0.318 0.046     264.895     300.000       6.681    2 
+    600000        6000.00      29.085     -46.746     -17.660   3.30 0.357 0.706 0.369 0.072     263.876     300.000       6.629    2 
+    610000        6100.00      29.088     -46.746     -17.659   3.37 0.286 0.714 0.305 0.050     263.899     300.000       6.673    2 
+    620000        6200.00      22.333     -39.993     -17.660   3.60 0.214 0.786 0.315 0.049     202.621     300.000       6.563    2 
+    630000        6300.00      29.083     -46.744     -17.662   3.09 0.143 0.833 0.288 0.068     263.852     300.000       6.888    2 
+    640000        6400.00      28.343     -46.003     -17.660   3.39 0.286 0.765 0.332 0.057     257.139     300.000       6.622    2 
+    650000        6500.00      31.396     -49.057     -17.662   2.98 0.286 0.692 0.343 0.069     284.837     300.000       6.896    2 
+    660000        6600.00      31.938     -49.600     -17.662   3.63 0.286 0.692 0.318 0.079     289.760     300.000       6.832    2 
+    670000        6700.00      32.542     -50.203     -17.661   3.06 0.357 0.688 0.352 0.044     295.235     300.000       6.864    2 
+    680000        6800.00      29.266     -46.927     -17.662   3.32 0.214 0.750 0.394 0.062     265.515     300.000       6.888    2 
+    690000        6900.00      27.009     -44.669     -17.660   3.23 0.286 0.733 0.355 0.069     245.039     300.000       6.698    2 
+    700000        7000.00      28.469     -46.129     -17.659   3.12 0.286 0.667 0.337 0.087     258.289     300.000       6.842    2 
+    710000        7100.00      26.409     -44.066     -17.657   3.39 0.286 0.667 0.348 0.068     239.598     300.000       6.979    2 
+    720000        7200.00      27.559     -45.216     -17.657   3.85 0.429 0.538 0.402 0.039     250.033     300.000       6.456    2 
+    730000        7300.00      27.117     -44.774     -17.657   4.45 0.429 0.647 0.409 0.049     246.020     300.000       6.616    2 
+    740000        7400.00      30.854     -48.516     -17.662   3.62 0.357 0.722 0.381 0.176     279.919     300.000       6.899    2 
+    750000        7500.00      33.309     -50.969     -17.660   4.17 0.286 0.692 0.315 0.060     302.196     300.000       6.808    2 
+    760000        7600.00      29.480     -47.140     -17.659   4.74 0.286 0.733 0.367 0.042     267.461     300.000       6.912    2 
+    770000        7700.00      28.139     -45.797     -17.658   4.85 0.214 0.700 0.286 0.063     255.290     300.000       7.061    2 
+    780000        7800.00      27.556     -45.214     -17.658   4.69 0.357 0.643 0.312 0.035     250.000     300.000       6.861    2 
+    790000        7900.00      24.075     -41.733     -17.657   4.56 0.286 0.692 0.290 0.034     218.423     300.000       7.028    2 
+    800000        8000.00      32.627     -50.286     -17.659   3.97 0.286 0.636 0.318 0.096     296.012     300.000       7.033    2 
+    810000        8100.00      32.016     -49.675     -17.659   3.45 0.357 0.643 0.234 0.087     290.464     300.000       7.145    2 
+    820000        8200.00      29.273     -46.931     -17.658   4.62 0.357 0.688 0.287 0.048     265.576     300.000       6.833    2 
+    830000        8300.00      27.305     -44.963     -17.658   4.26 0.214 0.727 0.260 0.064     247.728     300.000       6.947    2 
+    840000        8400.00      28.092     -45.749     -17.657   4.81 0.214 0.812 0.307 0.053     254.866     300.000       6.766    2 
+    850000        8500.00      31.575     -49.234     -17.659   4.45 0.286 0.667 0.273 0.059     286.468     300.000       7.002    2 
+    860000        8600.00      28.469     -46.128     -17.659   3.46 0.286 0.556 0.253 0.057     258.290     300.000       7.176    2 
+    870000        8700.00      30.220     -47.880     -17.660   2.99 0.357 0.545 0.190 0.139     274.172     300.000       7.515    2 
+    880000        8800.00      29.883     -47.542     -17.659   3.28 0.357 0.583 0.220 0.119     271.116     300.000       6.767    2 
+    890000        8900.00      31.891     -49.550     -17.659   2.99 0.429 0.647 0.302 0.047     289.332     300.000       6.623    2 
+    900000        9000.00      26.485     -44.143     -17.659   3.09 0.500 0.533 0.221 0.046     240.282     300.000       6.758    2 
+    910000        9100.00      27.896     -45.555     -17.659   2.68 0.429 0.500 0.250 0.089     253.088     300.000       6.987    2 
+    920000        9200.00      30.978     -48.637     -17.658   2.46 0.429 0.455 0.289 0.036     281.051     300.000       6.844    2 
+    930000        9300.00      25.784     -43.440     -17.656   2.79 0.429 0.538 0.255 0.061     233.930     300.000       6.821    2 
+    940000        9400.00      26.967     -44.626     -17.659   3.03 0.429 0.571 0.334 0.065     244.656     300.000       6.949    2 
+    950000        9500.00      24.507     -42.164     -17.657   4.26 0.286 0.667 0.265 0.041     222.342     300.000       7.061    2 
+    960000        9600.00      29.733     -47.394     -17.661   3.68 0.429 0.647 0.286 0.092     269.754     300.000       6.621    2 
+    970000        9700.00      29.884     -47.542     -17.658   3.33 0.429 0.571 0.308 0.050     271.120     300.000       6.901    2 
+    980000        9800.00      31.222     -48.882     -17.660   3.02 0.357 0.615 0.276 0.063     283.260     300.000       6.849    2 
+    990000        9900.00      29.574     -47.235     -17.661   2.78 0.429 0.500 0.235 0.055     268.312     300.000       7.301    2 
+   1000000       10000.00      26.552     -44.214     -17.662   3.79 0.286 0.667 0.307 0.103     240.892     300.000       6.950    2 
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB003.stat b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB003.stat
index dfd1505..fcc5d83 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB003.stat
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB003.stat
@@ -1,101 +1,101 @@
-         0           0.00      30.203     662.810     693.012   0.00 1.000 0.000 0.308 8.660     274.015     300.000       7.001    3 
-     10000         100.00     419.280     273.503     692.783   6.87 0.071 0.000 0.136 0.261    3803.924     300.000       9.349    3 
-     20000         200.00     459.718     233.184     692.902   8.04 0.000 1.000 0.258 0.209    4170.803     300.000      10.692    3 
-     30000         300.00     427.134     265.727     692.861   8.30 0.071 0.500 0.159 0.368    3875.178     300.000      12.435    3 
-     40000         399.97     409.540     285.746     695.286   6.43 0.071 0.000 0.136 0.149    3715.555     300.000       9.757    3 
-     50000         499.97     432.621     262.634     695.256   7.36 0.000 1.000 0.205 0.089    3924.963     300.000      10.004    3 
-     60000         599.96     457.043     239.743     696.786   9.30 0.000 1.000 0.182 0.218    4146.528     300.000      11.763    3 
-     70000         699.96     494.832     202.972     697.804   6.39 0.000 1.000 0.341 0.280    4489.370     300.000      10.302    3 
-     80000         799.96     466.891     227.694     694.585   5.80 0.000 1.000 0.136 0.150    4235.876     300.000       8.851    3 
-     90000         899.95     469.500     226.357     695.857   6.77 0.143 0.500 0.136 0.299    4259.544     300.000      10.723    3 
-    100000         999.95     463.513     232.440     695.953   6.27 0.071 0.875 0.625 0.217    4205.229     300.000       7.679    3 
-    110000        1099.95     445.125     251.555     696.679   9.11 0.000   NaN   NaN 0.221    4038.400     300.000      13.274    3 
-    120000        1199.95     454.311     242.801     697.112   4.78 0.071 0.000 0.136 0.287    4121.745     300.000       8.787    3 
-    130000        1299.93     415.212     278.969     694.182  10.42 0.000 1.000 0.136 0.294    3767.020     300.000      13.467    3 
-    140000        1399.93     430.139     264.034     694.173   6.76 0.143 0.333 0.152 0.186    3902.444     300.000       8.851    3 
-    150000        1499.93     431.425     262.795     694.221   4.58 0.000 1.000 0.159 0.370    3914.113     300.000       9.457    3 
-    160000        1599.93     470.988     223.289     694.277   7.92 0.000 1.000 0.136 0.213    4273.047     300.000      12.023    3 
-    170000        1699.93     470.966     223.921     694.887   5.63 0.000 1.000 0.182 0.256    4272.845     300.000       9.426    3 
-    180000        1799.93     445.975     248.794     694.769   7.08 0.143 0.000 0.136 0.309    4046.113     300.000      10.644    3 
-    190000        1899.93     457.965     237.018     694.983   8.67 0.071 0.000 0.136 0.437    4154.893     300.000      11.988    3 
-    200000        1999.93     476.257     218.736     694.993  10.38 0.000   NaN   NaN 0.172    4320.850     300.000      13.008    3 
-    210000        2099.93     450.131     243.837     693.968   6.99 0.071 0.800 0.191 0.160    4083.817     300.000       8.698    3 
-    220000        2199.93     439.730     253.787     693.518   7.06 0.071 0.500 0.159 0.427    3989.462     300.000      10.718    3 
-    230000        2299.93     459.894     233.347     693.241   8.63 0.000 1.000 0.136 0.243    4172.400     300.000      11.567    3 
-    240000        2399.93     451.707     241.653     693.360   9.63 0.000 1.000 0.182 0.352    4098.122     300.000      12.177    3 
-    250000        2499.93     440.285     252.787     693.073  10.58 0.000 1.000 0.136 0.255    3994.497     300.000      14.072    3 
-    260000        2599.93     443.036     250.104     693.140   7.59 0.000 1.000 0.136 0.308    4019.449     300.000      10.198    3 
-    270000        2699.93     476.583     217.394     693.976   7.02 0.000 1.000 0.273 0.219    4323.804     300.000      10.113    3 
-    280000        2799.93     466.683     228.774     695.456   8.33 0.000   NaN   NaN 0.360    4233.987     300.000      12.954    3 
-    290000        2899.93     457.949     237.147     695.096   6.53 0.000 1.000 0.182 0.334    4154.751     300.000       8.957    3 
-    300000        2999.93     462.698     232.464     695.162   6.21 0.071 0.000 0.136 0.367    4197.834     300.000      10.241    3 
-    310000        3099.93     441.979     253.855     695.834   9.33 0.000   NaN   NaN 0.197    4009.860     300.000      12.220    3 
-    320000        3199.93     465.401     230.788     696.189   7.81 0.000   NaN   NaN 0.284    4222.359     300.000      10.496    3 
-    330000        3299.93     457.097     238.779     695.876   8.40 0.000 1.000 0.136 0.193    4147.021     300.000      12.617    3 
-    340000        3399.93     462.366     232.634     695.001   5.75 0.071 0.750 0.193 0.276    4194.827     300.000       9.483    3 
-    350000        3499.93     374.523     320.950     695.473   7.03 0.071 0.500 0.273 0.385    3397.863     300.000      10.458    3 
-    360000        3599.92     451.446     244.586     696.032   8.84 0.071 0.500 0.136 0.415    4095.755     300.000      12.947    3 
-    370000        3699.91     467.455     229.900     697.355   6.73 0.000 1.000 0.182 0.460    4240.990     300.000      10.032    3 
-    380000        3799.91     484.343     214.907     699.250  10.28 0.000   NaN   NaN 0.302    4394.208     300.000      13.270    3 
-    390000        3899.91     449.779     248.534     698.313   6.71 0.071 0.667 0.182 0.417    4080.628     300.000      10.509    3 
-    400000        3999.91     473.873     223.623     697.496   9.06 0.000   NaN   NaN 0.415    4299.219     300.000      13.002    3 
-    410000        4099.91     429.427     267.780     697.207   8.53 0.000 1.000 0.182 0.199    3895.988     300.000      11.761    3 
-    420000        4199.91     431.224     265.643     696.867   7.58 0.000   NaN   NaN 0.253    3912.285     300.000      10.903    3 
-    430000        4299.91     423.062     273.818     696.880   7.06 0.000 1.000 0.159 0.215    3838.236     300.000      10.693    3 
-    440000        4399.90     404.184     293.772     697.956   7.28 0.071 0.500 0.159 0.313    3666.966     300.000      11.224    3 
-    450000        4499.90     415.200     282.340     697.539   6.89 0.000 1.000 0.159 0.322    3766.907     300.000      10.524    3 
-    460000        4599.90     412.517     284.664     697.181   8.68 0.071 0.000 0.136 0.422    3742.564     300.000      12.319    3 
-    470000        4699.89     398.457     298.723     697.180   5.83 0.000   NaN   NaN 0.336    3615.012     300.000      10.907    3 
-    480000        4799.89     496.416     201.450     697.866   8.16 0.000   NaN   NaN 0.235    4503.742     300.000      12.066    3 
-    490000        4899.89     430.175     267.019     697.194  10.88 0.071 0.500 0.227 0.124    3902.770     300.000      14.695    3 
-    500000        4999.88     472.516     274.613     747.128   6.69 0.000 1.000 0.136 0.178    4286.906     300.000      10.331    3 
-    510000        5099.88     475.032     272.261     747.293   8.25 0.000   NaN   NaN 0.328    4309.736     300.000      11.003    3 
-    520000        5199.88     523.064     225.605     748.669   8.53 0.000 1.000 0.182 0.339    4745.505     300.000      11.741    3 
-    530000        5299.87     540.586     212.479     753.066   6.43 0.000 1.000 0.136 0.197    4904.476     300.000      11.041    3 
-    540000        5399.87     504.015     248.430     752.445   6.18 0.071 0.750 0.182 0.635    4572.689     300.000       8.786    3 
-    550000        5499.86     474.023     280.368     754.391   5.97 0.000 1.000 0.136 0.594    4300.581     300.000      10.885    3 
-    560000        5599.86     554.210     200.136     754.346   7.82 0.000   NaN   NaN 0.235    5028.080     300.000      10.973    3 
-    570000        5699.85     434.884     320.478     755.362   7.18 0.000 1.000 0.136 0.142    3945.495     300.000       9.951    3 
-    580000        5799.84     497.644     257.379     755.023   7.54 0.071 0.500 0.205 0.535    4514.886     300.000      10.020    3 
-    590000        5899.84     495.909     259.311     755.220   8.09 0.000   NaN   NaN 0.121    4499.145     300.000      10.348    3 
-    600000        5999.84     490.975     265.127     756.102   6.91 0.000 1.000 0.182 0.335    4454.374     300.000       9.595    3 
-    610000        6099.84     529.946     226.177     756.122   8.47 0.000 1.000 0.288 0.322    4807.940     300.000      12.021    3 
-    620000        6199.84     544.304     211.603     755.907   6.06 0.000 1.000 0.326 0.214    4938.208     300.000       7.105    3 
-    630000        6299.84     489.171     266.617     755.787   7.51 0.000   NaN   NaN 0.174    4438.010     300.000      11.734    3 
-    640000        6399.84     522.015     233.884     755.899   7.75 0.071 0.667 0.152 0.139    4735.993     300.000      11.681    3 
-    650000        6499.84     463.786     292.312     756.098   5.42 0.071 0.750 0.205 0.310    4207.709     300.000       9.156    3 
-    660000        6599.84     406.718     349.786     756.504   6.46 0.000 1.000 0.318 0.263    3689.957     300.000       9.707    3 
-    670000        6699.84     460.502     295.977     756.479   9.37 0.000   NaN   NaN 0.424    4177.912     300.000      12.877    3 
-    680000        6799.84     531.291     223.099     754.390   4.81 0.000   NaN   NaN 0.234    4820.148     300.000       9.355    3 
-    690000        6899.84     402.823     351.414     754.237   8.20 0.071 0.500 0.136 0.258    3654.616     300.000      10.877    3 
-    700000        6999.84     450.559     303.408     753.967   5.86 0.000 1.000 0.216 0.382    4087.708     300.000       8.534    3 
-    710000        7099.84     532.980     221.486     754.466   8.57 0.000   NaN   NaN 0.202    4835.473     300.000      11.836    3 
-    720000        7199.82     489.332     265.645     754.977   8.13 0.000 1.000 0.258 0.205    4439.476     300.000      10.822    3 
-    730000        7299.82     443.581     311.521     755.102   8.57 0.000   NaN   NaN 0.269    4024.392     300.000      12.434    3 
-    740000        7399.82     486.431     268.218     754.648   7.60 0.000   NaN   NaN 0.325    4413.149     300.000      11.520    3 
-    750000        7499.82     525.403     230.146     755.548   6.94 0.000 1.000 0.167 0.259    4766.724     300.000       9.589    3 
-    760000        7599.82     477.650     277.908     755.559   6.84 0.071 0.800 0.182 0.253    4333.490     300.000       9.939    3 
-    770000        7699.82     459.008     298.749     757.756   5.34 0.000 1.000 0.227 0.284    4164.355     300.000       8.995    3 
-    780000        7799.82     495.156     261.567     756.723   6.06 0.143 0.333 0.167 0.252    4492.307     300.000      10.220    3 
-    790000        7899.82     502.579     254.325     756.903   9.42 0.071 0.000 0.136 0.240    4559.654     300.000      12.276    3 
-    800000        7999.82     472.303     285.504     757.807   6.16 0.071 0.000 0.136 0.151    4284.978     300.000      10.638    3 
-    810000        8099.82     506.282     251.194     757.476   9.19 0.000   NaN   NaN 0.322    4593.253     300.000      12.635    3 
-    820000        8199.82     499.773     255.520     755.293   8.17 0.071 0.500 0.136 0.338    4534.201     300.000      10.353    3 
-    830000        8299.82     463.216     292.409     755.624   6.83 0.071 0.000 0.136 0.207    4202.534     300.000      10.537    3 
-    840000        8399.82     567.705     187.811     755.516   6.98 0.000   NaN   NaN 0.265    5150.513     300.000       9.226    3 
-    850000        8499.82     503.879     252.030     755.909   6.96 0.000 1.000 0.136 0.180    4571.447     300.000      11.168    3 
-    860000        8599.82     534.381     221.804     756.186   5.50 0.000 1.000 0.136 0.258    4848.184     300.000      10.579    3 
-    870000        8699.82     434.887     321.005     755.892   6.74 0.000 1.000 0.273 0.176    3945.519     300.000      10.302    3 
-    880000        8799.82     491.337     264.319     755.656   6.14 0.071 0.500 0.159 0.323    4457.664     300.000      10.687    3 
-    890000        8899.80     444.350     312.527     756.877   9.33 0.071 0.000 0.136 0.198    4031.373     300.000      12.533    3 
-    900000        8999.80     449.878     306.773     756.651   6.22 0.143 0.667 0.197 0.163    4081.523     300.000       9.308    3 
-    910000        9099.77     510.493     244.207     754.700   9.00 0.000   NaN   NaN 0.217    4631.452     300.000      13.019    3 
-    920000        9199.77     513.729     241.295     755.024   6.40 0.071 0.500 0.136 0.357    4660.817     300.000      10.403    3 
-    930000        9299.77     498.227     256.785     755.011   7.66 0.143 0.667 0.189 0.239    4520.169     300.000      10.565    3 
-    940000        9399.77     424.615     330.369     754.984   6.81 0.000 1.000 0.205 0.172    3852.323     300.000      10.270    3 
-    950000        9499.77     413.020     343.756     756.776   5.31 0.000 1.000 0.818 0.154    3747.130     300.000       7.756    3 
-    960000        9599.77     519.137     237.150     756.286   9.56 0.071 0.500 0.159 0.423    4709.875     300.000      12.299    3 
-    970000        9699.76     498.605     257.117     755.722   8.29 0.000   NaN   NaN 0.231    4523.599     300.000      11.397    3 
-    980000        9799.75     477.250     263.196     740.445   5.75 0.071 0.000 0.136 0.181    4329.857     300.000      10.202    3 
-    990000        9899.75     453.587     286.797     740.384   6.40 0.000 1.000 0.159 0.227    4115.180     300.000      10.485    3 
-   1000000        9999.75     392.186     348.510     740.696   6.54 0.000 1.000 0.167 0.291    3558.110     300.000       9.973    3 
+         0           0.00      30.034     -51.451     -21.417   2.26 0.786 0.476 0.357 0.199     272.485     300.000       6.690    3 
+     10000         100.00      22.233     -43.648     -21.415   2.19 0.643 0.438 0.312 0.089     201.708     300.000       6.363    3 
+     20000         200.00      29.115     -50.529     -21.414   1.71 0.500 0.462 0.357 0.038     264.151     300.000       6.880    3 
+     30000         300.00      22.500     -43.915     -21.415   2.26 0.571 0.467 0.397 0.053     204.130     300.000       6.913    3 
+     40000         400.00      23.932     -45.347     -21.415   1.74 0.429 0.625 0.295 0.078     217.124     300.000       6.677    3 
+     50000         500.00      25.227     -46.642     -21.415   2.29 0.571 0.385 0.259 0.064     228.869     300.000       7.005    3 
+     60000         600.00      24.709     -46.124     -21.415   2.17 0.571 0.500 0.284 0.072     224.175     300.000       7.276    3 
+     70000         700.00      24.721     -46.136     -21.415   1.49 0.571 0.467 0.303 0.060     224.286     300.000       7.382    3 
+     80000         800.00      22.677     -44.092     -21.416   1.86 0.571 0.273 0.360 0.046     205.735     300.000       7.346    3 
+     90000         900.00      22.872     -44.287     -21.415   2.00 0.500 0.417 0.371 0.044     207.507     300.000       7.374    3 
+    100000        1000.00      24.720     -46.135     -21.415   2.24 0.714 0.333 0.345 0.031     224.274     300.000       7.026    3 
+    110000        1100.00      24.122     -45.538     -21.417   2.05 0.429 0.400 0.286 0.081     218.845     300.000       7.636    3 
+    120000        1200.00      23.233     -44.648     -21.416   2.08 0.500 0.562 0.273 0.094     210.778     300.000       7.215    3 
+    130000        1300.00      22.793     -44.208     -21.415   2.75 0.429 0.455 0.360 0.054     206.788     300.000       7.417    3 
+    140000        1400.00      19.782     -41.196     -21.414   2.51 0.357 0.500 0.323 0.064     179.471     300.000       7.333    3 
+    150000        1500.00      24.267     -45.681     -21.414   3.08 0.500 0.462 0.332 0.034     220.163     300.000       7.292    3 
+    160000        1600.00      24.722     -46.136     -21.415   2.49 0.571 0.429 0.276 0.062     224.288     300.000       7.297    3 
+    170000        1700.00      22.913     -44.329     -21.416   2.47 0.286 0.500 0.239 0.083     207.881     300.000       7.396    3 
+    180000        1800.00      27.900     -49.316     -21.416   2.97 0.786 0.421 0.373 0.092     253.121     300.000       6.885    3 
+    190000        1900.00      22.719     -44.135     -21.415   2.81 0.286 0.692 0.346 0.108     206.123     300.000       7.000    3 
+    200000        2000.00      24.933     -46.347     -21.414   2.49 0.571 0.429 0.334 0.035     226.203     300.000       7.095    3 
+    210000        2100.00      20.732     -42.147     -21.415   2.88 0.357 0.545 0.231 0.063     188.095     300.000       7.317    3 
+    220000        2200.00      27.081     -48.498     -21.417   2.91 0.571 0.529 0.286 0.040     245.697     300.000       6.897    3 
+    230000        2300.00      22.581     -43.997     -21.416   3.41 0.357 0.545 0.207 0.053     204.862     300.000       7.297    3 
+    240000        2400.00      31.232     -52.650     -21.418   2.54 0.714 0.333 0.282 0.066     283.349     300.000       7.004    3 
+    250000        2500.00      24.387     -45.804     -21.417   2.75 0.571 0.556 0.376 0.081     221.250     300.000       6.676    3 
+    260000        2600.00      27.650     -49.066     -21.416   3.61 0.571 0.333 0.261 0.059     250.856     300.000       7.367    3 
+    270000        2700.00      28.412     -49.830     -21.418   2.61 0.571 0.529 0.364 0.067     257.771     300.000       6.836    3 
+    280000        2800.00      21.799     -43.215     -21.416   2.45 0.571 0.429 0.438 0.070     197.771     300.000       7.254    3 
+    290000        2900.00      26.170     -47.588     -21.417   2.95 0.429 0.500 0.322 0.105     237.430     300.000       7.182    3 
+    300000        3000.00      21.920     -43.336     -21.416   2.52 0.286 0.556 0.338 0.093     198.865     300.000       7.088    3 
+    310000        3100.00      25.850     -47.267     -21.417   2.91 0.500 0.533 0.364 0.065     234.523     300.000       7.040    3 
+    320000        3200.00      30.394     -51.810     -21.417   3.29 0.500 0.500 0.292 0.105     275.747     300.000       7.284    3 
+    330000        3300.00      27.810     -49.228     -21.418   2.00 0.357 0.375 0.267 0.064     252.311     300.000       7.572    3 
+    340000        3400.00      20.959     -42.374     -21.415   2.49 0.286 0.600 0.441 0.075     190.153     300.000       7.318    3 
+    350000        3500.00      18.906     -40.321     -21.416   2.80 0.357 0.583 0.242 0.033     171.523     300.000       7.459    3 
+    360000        3600.00      25.048     -46.465     -21.416   2.76 0.500 0.562 0.264 0.075     227.250     300.000       6.898    3 
+    370000        3700.00      26.690     -48.108     -21.417   2.53 0.286 0.692 0.255 0.071     242.150     300.000       6.882    3 
+    380000        3800.00      28.553     -49.968     -21.416   2.01 0.500 0.632 0.311 0.068     259.044     300.000       6.652    3 
+    390000        3900.00      29.394     -50.810     -21.416   3.00 0.357 0.643 0.279 0.049     266.678     300.000       6.687    3 
+    400000        4000.00      28.526     -49.942     -21.415   3.14 0.429 0.571 0.269 0.057     258.805     300.000       6.725    3 
+    410000        4100.00      28.762     -50.180     -21.418   2.62 0.286 0.714 0.341 0.024     260.943     300.000       6.860    3 
+    420000        4200.00      30.678     -52.097     -21.418   2.66 0.214 0.667 0.343 0.099     278.328     300.000       6.942    3 
+    430000        4300.00      27.965     -49.382     -21.417   2.97 0.429 0.600 0.233 0.084     253.713     300.000       6.709    3 
+    440000        4400.00      30.500     -51.918     -21.418   3.24 0.357 0.615 0.266 0.101     276.711     300.000       6.795    3 
+    450000        4500.00      22.468     -43.882     -21.414   2.54 0.429 0.538 0.280 0.081     203.841     300.000       6.639    3 
+    460000        4600.00      26.246     -47.662     -21.416   2.71 0.500 0.364 0.269 0.098     238.117     300.000       6.784    3 
+    470000        4700.00      27.574     -48.989     -21.415   2.48 0.571 0.529 0.286 0.047     250.161     300.000       6.606    3 
+    480000        4800.00      26.825     -48.241     -21.416   2.78 0.429 0.538 0.262 0.067     243.366     300.000       6.860    3 
+    490000        4900.00      24.201     -45.616     -21.415   2.75 0.429 0.625 0.332 0.078     219.564     300.000       6.651    3 
+    500000        5000.00      29.787     -51.203     -21.416   2.72 0.286 0.733 0.318 0.047     270.241     300.000       6.799    3 
+    510000        5100.00      26.328     -47.745     -21.417   3.30 0.357 0.615 0.315 0.074     238.863     300.000       6.780    3 
+    520000        5200.00      30.501     -51.919     -21.418   2.86 0.500 0.650 0.298 0.065     276.724     300.000       6.656    3 
+    530000        5300.00      26.590     -48.007     -21.417   2.69 0.357 0.615 0.220 0.060     241.236     300.000       6.882    3 
+    540000        5400.00      29.928     -51.346     -21.417   2.99 0.429 0.571 0.211 0.052     271.524     300.000       6.677    3 
+    550000        5500.00      30.740     -52.157     -21.417   3.05 0.429 0.625 0.276 0.053     278.892     300.000       6.759    3 
+    560000        5600.00      24.914     -46.331     -21.417   3.22 0.429 0.571 0.205 0.049     226.031     300.000       6.710    3 
+    570000        5700.00      26.889     -48.305     -21.416   2.28 0.500 0.500 0.253 0.049     243.954     300.000       6.421    3 
+    580000        5800.00      30.606     -52.024     -21.418   2.36 0.571 0.556 0.351 0.163     277.670     300.000       6.555    3 
+    590000        5900.00      34.174     -55.591     -21.417   2.63 0.429 0.600 0.321 0.071     310.042     300.000       6.560    3 
+    600000        6000.00      27.517     -48.933     -21.417   2.22 0.786 0.450 0.289 0.093     249.644     300.000       6.539    3 
+    610000        6100.00      24.459     -45.876     -21.417   2.76 0.500 0.562 0.324 0.058     221.909     300.000       6.597    3 
+    620000        6200.00      32.804     -54.222     -21.418   3.16 0.500 0.588 0.356 0.059     297.610     300.000       6.605    3 
+    630000        6300.00      28.591     -50.010     -21.419   3.56 0.357 0.615 0.346 0.111     259.390     300.000       6.538    3 
+    640000        6400.00      19.319     -40.735     -21.416   4.07 0.214 0.786 0.325 0.091     175.270     300.000       6.747    3 
+    650000        6500.00      27.163     -48.581     -21.418   3.01 0.429 0.571 0.347 0.074     246.440     300.000       6.654    3 
+    660000        6600.00      27.894     -49.312     -21.419   3.34 0.286 0.636 0.281 0.069     253.065     300.000       6.772    3 
+    670000        6700.00      22.312     -43.729     -21.417   2.91 0.429 0.571 0.260 0.069     202.428     300.000       6.899    3 
+    680000        6800.00      32.001     -53.419     -21.418   3.45 0.429 0.571 0.289 0.087     290.327     300.000       6.864    3 
+    690000        6900.00      27.106     -48.523     -21.418   3.06 0.429 0.647 0.326 0.076     245.915     300.000       6.905    3 
+    700000        7000.00      27.633     -49.052     -21.419   3.27 0.357 0.583 0.205 0.054     250.698     300.000       6.936    3 
+    710000        7100.00      24.254     -45.672     -21.419   3.21 0.286 0.714 0.351 0.052     220.041     300.000       6.873    3 
+    720000        7200.00      23.363     -44.781     -21.418   3.54 0.286 0.667 0.311 0.064     211.959     300.000       6.639    3 
+    730000        7300.00      21.481     -42.899     -21.417   3.22 0.357 0.583 0.193 0.046     194.891     300.000       6.859    3 
+    740000        7400.00      22.687     -44.104     -21.417   2.90 0.357 0.583 0.333 0.085     205.828     300.000       7.013    3 
+    750000        7500.00      28.398     -49.817     -21.419   3.84 0.357 0.688 0.261 0.059     257.645     300.000       6.890    3 
+    760000        7600.00      26.830     -48.249     -21.420   2.92 0.500 0.611 0.303 0.076     243.411     300.000       6.531    3 
+    770000        7700.00      34.005     -55.424     -21.419   3.83 0.357 0.643 0.312 0.111     308.511     300.000       6.916    3 
+    780000        7800.00      26.546     -47.963     -21.418   3.60 0.357 0.583 0.273 0.080     240.836     300.000       6.838    3 
+    790000        7900.00      26.764     -48.183     -21.419   4.09 0.357 0.688 0.295 0.095     242.820     300.000       6.876    3 
+    800000        8000.00      25.218     -46.635     -21.417   3.89 0.357 0.688 0.304 0.049     228.787     300.000       6.876    3 
+    810000        8100.00      25.510     -46.928     -21.418   3.55 0.429 0.538 0.332 0.059     231.442     300.000       6.680    3 
+    820000        8200.00      26.091     -47.510     -21.419   3.27 0.500 0.562 0.281 0.067     236.712     300.000       6.671    3 
+    830000        8300.00      24.129     -45.544     -21.415   3.25 0.357 0.615 0.304 0.053     218.912     300.000       6.723    3 
+    840000        8400.00      22.960     -44.375     -21.415   2.91 0.500 0.562 0.224 0.059     208.302     300.000       6.787    3 
+    850000        8500.00      29.120     -50.536     -21.416   2.58 0.643 0.471 0.259 0.043     264.193     300.000       6.729    3 
+    860000        8600.00      22.968     -44.383     -21.415   4.06 0.357 0.643 0.302 0.049     208.376     300.000       6.766    3 
+    870000        8700.00      27.115     -48.532     -21.416   3.46 0.429 0.538 0.262 0.067     246.005     300.000       6.910    3 
+    880000        8800.00      22.674     -44.088     -21.414   3.42 0.500 0.611 0.333 0.052     205.710     300.000       6.537    3 
+    890000        8900.00      23.596     -45.011     -21.415   4.28 0.286 0.692 0.301 0.040     214.071     300.000       6.949    3 
+    900000        9000.00      24.082     -45.496     -21.414   3.88 0.214 0.667 0.288 0.077     218.485     300.000       6.840    3 
+    910000        9100.00      27.293     -48.706     -21.414   3.83 0.286 0.714 0.289 0.042     247.612     300.000       6.868    3 
+    920000        9200.00      26.176     -47.591     -21.415   3.38 0.429 0.571 0.269 0.110     237.480     300.000       6.794    3 
+    930000        9300.00      23.904     -45.317     -21.413   3.25 0.357 0.615 0.339 0.098     216.872     300.000       6.736    3 
+    940000        9400.00      25.823     -47.236     -21.413   3.54 0.286 0.733 0.282 0.108     234.277     300.000       6.901    3 
+    950000        9500.00      28.894     -50.307     -21.413   3.19 0.357 0.667 0.294 0.058     262.144     300.000       6.607    3 
+    960000        9600.00      22.856     -44.268     -21.412   3.81 0.286 0.692 0.273 0.068     207.359     300.000       7.040    3 
+    970000        9700.00      29.322     -50.734     -21.413   2.54 0.357 0.545 0.211 0.036     266.022     300.000       7.494    3 
+    980000        9800.00      30.389     -51.801     -21.413   2.26 0.357 0.500 0.232 0.083     275.701     300.000       7.254    3 
+    990000        9900.00      26.654     -48.066     -21.413   1.90 0.500 0.562 0.273 0.068     241.818     300.000       6.995    3 
+   1000000       10000.00      25.561     -46.972     -21.412   2.70 0.286 0.636 0.231 0.047     231.902     300.000       7.028    3 
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB004.stat b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB004.stat
index cbf8180..b144359 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB004.stat
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB004.stat
@@ -1,101 +1,101 @@
-         0           0.00      27.886     662.810     690.695   0.00 1.000 0.000 0.308 8.660     252.992     300.000       7.001    4 
-     10000         100.00     460.704     230.109     690.813   7.67 0.071 0.667 0.197 0.398    4179.742     300.000      11.454    4 
-     20000         200.00     379.236     311.522     690.758   8.48 0.000 1.000 0.273 0.210    3440.622     300.000      10.476    4 
-     30000         300.00     451.727     239.309     691.036   7.79 0.000 1.000 0.227 0.194    4098.300     300.000      11.305    4 
-     40000         400.00     507.987     183.097     691.083   5.37 0.000 1.000 0.136 0.132    4608.719     300.000       9.412    4 
-     50000         500.00     392.380     298.836     691.215   7.60 0.071 0.667 0.152 0.310    3559.872     300.000      11.100    4 
-     60000         600.00     442.285     249.071     691.356   5.19 0.000 1.000 0.170 0.402    4012.640     300.000       8.608    4 
-     70000         699.99     402.362     288.918     691.280   7.27 0.071 0.667 0.152 0.216    3650.438     300.000      11.199    4 
-     80000         799.99     458.774     233.093     691.867   7.89 0.000 1.000 0.136 0.156    4162.235     300.000      12.309    4 
-     90000         899.99     482.186     209.232     691.417   7.18 0.000   NaN   NaN 0.213    4374.636     300.000      10.561    4 
-    100000         999.99     400.727     291.423     692.150   7.73 0.000 1.000 0.136 0.225    3635.601     300.000      12.143    4 
-    110000        1099.99     498.293     193.823     692.116   6.01 0.143 0.600 0.173 0.836    4520.773     300.000       9.484    4 
-    120000        1199.99     450.025     242.002     692.027   6.87 0.071 0.000 0.182 0.243    4082.858     300.000       9.993    4 
-    130000        1299.99     409.917     281.664     691.581   7.86 0.071 0.667 0.212 0.251    3718.977     300.000      11.909    4 
-    140000        1399.99     335.373     356.027     691.401   8.34 0.000 1.000 0.136 0.638    3042.681     300.000      11.185    4 
-    150000        1499.99     433.725     257.337     691.062   9.53 0.000 1.000 0.136 0.670    3934.973     300.000      13.319    4 
-    160000        1599.99     440.194     250.936     691.129   4.99 0.000   NaN   NaN 0.427    3993.665     300.000       8.568    4 
-    170000        1699.99     443.661     246.919     690.580   7.03 0.071 0.500 0.182 0.448    4025.121     300.000      10.881    4 
-    180000        1799.99     420.683     272.442     693.124   9.80 0.000 1.000 0.159 0.211    3816.653     300.000      12.077    4 
-    190000        1899.99     393.184     299.619     692.803   6.02 0.071 0.750 0.193 0.313    3567.167     300.000       8.921    4 
-    200000        1999.99     500.098     192.802     692.900   8.01 0.000   NaN   NaN 0.217    4537.148     300.000      10.256    4 
-    210000        2099.99     461.000     231.954     692.954   7.16 0.000 1.000 0.303 0.312    4182.431     300.000       7.665    4 
-    220000        2199.99     482.950     211.528     694.478   8.08 0.000   NaN   NaN 0.366    4381.572     300.000      12.496    4 
-    230000        2299.99     496.725     201.207     697.932   5.79 0.000   NaN   NaN 0.278    4506.543     300.000      10.063    4 
-    240000        2399.99     425.623     272.571     698.194  10.09 0.071 0.667 0.152 0.315    3861.475     300.000      13.192    4 
-    250000        2499.99     464.023     234.437     698.461   4.35 0.143 0.500 0.511 0.154    4209.860     300.000       8.227    4 
-    260000        2599.99     439.373     257.924     697.296   7.73 0.000   NaN   NaN 0.320    3986.215     300.000      10.284    4 
-    270000        2699.99     487.334     212.174     699.508   5.65 0.000 1.000 0.235 0.304    4421.346     300.000       8.184    4 
-    280000        2799.99     442.041     256.428     698.468   5.91 0.071 0.500 0.159 0.255    4010.422     300.000       7.626    4 
-    290000        2899.99     467.137     231.392     698.530   8.27 0.000   NaN   NaN 0.151    4238.113     300.000      10.792    4 
-    300000        2999.99     420.918     279.848     700.766   7.17 0.000 1.000 0.136 0.217    3818.786     300.000      10.632    4 
-    310000        3099.99     457.150     247.709     704.859   7.77 0.000   NaN   NaN 0.449    4147.502     300.000      11.043    4 
-    320000        3199.99     510.393     194.508     704.901   8.46 0.000   NaN   NaN 0.146    4630.552     300.000      10.490    4 
-    330000        3299.99     456.312     254.917     711.230   4.14 0.143 0.667 0.235 0.419    4139.901     300.000       7.206    4 
-    340000        3399.98     420.505     290.853     711.358   5.18 0.071 0.750 0.159 0.222    3815.038     300.000       9.244    4 
-    350000        3499.97     441.547     269.566     711.112   6.98 0.000   NaN   NaN 0.147    4005.939     300.000      10.192    4 
-    360000        3599.97     429.281     282.430     711.711   6.98 0.071 0.000 0.136 0.132    3894.661     300.000      11.733    4 
-    370000        3699.97     438.547     273.992     712.540  10.13 0.071 0.500 0.159 0.422    3978.729     300.000      12.776    4 
-    380000        3799.97     428.024     284.566     712.590   6.57 0.000 1.000 0.136 0.284    3883.254     300.000       9.952    4 
-    390000        3899.95     500.958     211.836     712.794   6.70 0.143 0.714 0.201 0.265    4544.948     300.000       9.309    4 
-    400000        3999.95     462.113     251.407     713.520   8.54 0.000 1.000 0.182 0.587    4192.527     300.000      11.508    4 
-    410000        4099.91     445.631     267.136     712.767   8.20 0.071 0.500 0.159 0.241    4042.998     300.000      11.178    4 
-    420000        4199.91     475.200     237.737     712.937   6.70 0.000 1.000 0.159 0.140    4311.257     300.000       9.496    4 
-    430000        4299.91     458.356     254.699     713.055   8.91 0.000   NaN   NaN 0.237    4158.442     300.000      11.216    4 
-    440000        4399.90     444.525     267.798     712.323   7.45 0.071 0.667 0.182 0.204    4032.959     300.000      10.800    4 
-    450000        4499.90     474.078     238.459     712.538   6.95 0.000 1.000 0.182 0.360    4301.082     300.000      10.432    4 
-    460000        4599.90     432.529     280.109     712.638   6.50 0.000 1.000 0.273 0.430    3924.123     300.000       9.277    4 
-    470000        4699.90     452.374     260.357     712.730  11.51 0.000   NaN   NaN 0.146    4104.169     300.000      14.978    4 
-    480000        4799.90     489.387     223.315     712.702   6.54 0.000 1.000 0.159 0.263    4439.970     300.000      10.562    4 
-    490000        4899.88     449.639     266.124     715.762   7.08 0.143 0.500 0.182 0.251    4079.355     300.000       8.760    4 
-    500000        4999.88     488.771     227.318     716.089   7.88 0.000 1.000 0.273 0.256    4434.383     300.000       9.767    4 
-    510000        5099.88     446.264     268.743     715.006   5.41 0.000 1.000 0.227 0.359    4048.733     300.000       8.037    4 
-    520000        5199.88     515.729     199.496     715.225  11.15 0.000 1.000 0.182 0.317    4678.957     300.000      14.164    4 
-    530000        5299.88     447.503     267.667     715.169   6.40 0.000 1.000 0.227 0.232    4059.977     300.000      10.197    4 
-    540000        5399.88     477.705     237.527     715.232   8.10 0.000 1.000 0.212 0.256    4333.987     300.000      11.609    4 
-    550000        5499.86     527.935     188.112     716.047   7.93 0.000 1.000 0.136 0.393    4789.703     300.000       9.793    4 
-    560000        5599.86     396.054     319.486     715.540   8.20 0.000 1.000 0.136 0.291    3593.207     300.000      11.905    4 
-    570000        5699.86     466.336     248.578     714.914   5.87 0.000   NaN   NaN 0.153    4230.840     300.000       9.657    4 
-    580000        5799.86     437.252     280.673     717.925   7.44 0.000   NaN   NaN 0.366    3966.974     300.000      10.901    4 
-    590000        5899.86     424.030     293.861     717.891   7.69 0.000 1.000 0.182 0.407    3847.017     300.000      11.323    4 
-    600000        5999.85     421.026     297.618     718.645   4.82 0.071 0.000 0.136 0.360    3819.770     300.000       8.597    4 
-    610000        6099.83     373.602     344.098     717.701   8.61 0.071 0.000 0.136 0.215    3389.515     300.000      11.772    4 
-    620000        6199.82     448.438     269.365     717.803   7.87 0.000   NaN   NaN 0.443    4068.457     300.000      10.109    4 
-    630000        6299.82     479.153     238.977     718.130   6.56 0.000   NaN   NaN 0.356    4347.126     300.000       9.606    4 
-    640000        6399.82     440.567     275.915     716.482   9.26 0.000   NaN   NaN 0.235    3997.056     300.000      12.487    4 
-    650000        6499.81     446.753     269.696     716.449   6.18 0.000 1.000 0.182 0.277    4053.175     300.000      10.607    4 
-    660000        6599.80     481.881     236.548     718.429  10.10 0.000   NaN   NaN 0.273    4371.869     300.000      13.831    4 
-    670000        6699.80     424.750     293.841     718.591   8.45 0.000   NaN   NaN 0.193    3853.553     300.000      12.671    4 
-    680000        6799.80     466.421     252.602     719.023   8.88 0.000   NaN   NaN 0.292    4231.611     300.000      11.346    4 
-    690000        6899.80     479.225     239.441     718.665   7.70 0.071 0.500 0.159 0.107    4347.774     300.000      11.302    4 
-    700000        6999.80     488.320     230.462     718.782   7.62 0.000   NaN   NaN 0.268    4430.287     300.000       9.816    4 
-    710000        7099.80     533.889     183.826     717.714   7.35 0.143 0.600 0.155 0.176    4843.715     300.000       9.953    4 
-    720000        7199.80     477.938     240.298     718.235   7.73 0.000   NaN   NaN 0.231    4336.097     300.000      11.842    4 
-    730000        7299.79     507.705     210.123     717.828   8.85 0.000 1.000 0.136 0.249    4606.162     300.000      12.314    4 
-    740000        7399.78     466.927     250.515     717.442   7.28 0.000 1.000 0.307 0.463    4236.206     300.000       8.029    4 
-    750000        7499.76     494.433     227.353     721.785   8.88 0.000 1.000 0.136 0.208    4485.749     300.000      12.937    4 
-    760000        7599.75     445.679     279.054     724.733   6.88 0.000 1.000 0.432 0.522    4043.429     300.000       8.439    4 
-    770000        7699.75     463.501     261.689     725.190   6.12 0.071 0.667 0.182 0.154    4205.125     300.000       9.560    4 
-    780000        7799.75     436.735     288.897     725.632   5.80 0.000 1.000 0.205 0.319    3962.286     300.000       8.393    4 
-    790000        7899.74     475.029     252.041     727.070   8.30 0.071 0.000 0.136 0.142    4309.708     300.000      11.253    4 
-    800000        7999.74     458.315     268.100     726.416   7.58 0.071 0.000 0.136 0.315    4158.075     300.000      10.576    4 
-    810000        8099.73     551.353     174.881     726.234   5.76 0.000   NaN   NaN 0.401    5002.156     300.000       9.266    4 
-    820000        8199.73     473.993     253.193     727.187   9.21 0.000 1.000 0.159 0.388    4300.312     300.000      11.231    4 
-    830000        8299.73     477.636     249.495     727.132   7.17 0.000 1.000 0.295 0.191    4333.365     300.000       8.907    4 
-    840000        8399.73     549.072     178.286     727.358  11.92 0.000 1.000 0.136 0.278    4981.461     300.000      15.667    4 
-    850000        8499.73     449.197     277.163     726.360   9.08 0.000 1.000 0.182 0.215    4075.348     300.000      12.819    4 
-    860000        8599.73     465.693     264.054     729.748   7.99 0.000 1.000 0.136 0.226    4225.010     300.000       9.656    4 
-    870000        8699.73     502.561     226.116     728.677   4.77 0.071 0.000 0.136 0.148    4559.496     300.000       9.404    4 
-    880000        8799.73     448.590     279.831     728.421   8.28 0.000   NaN   NaN 0.373    4069.841     300.000      11.945    4 
-    890000        8899.73     484.179     244.212     728.391   9.37 0.000 1.000 0.136 0.309    4392.721     300.000      12.570    4 
-    900000        8999.73     495.226     233.019     728.245   6.12 0.000 1.000 0.318 0.188    4492.947     300.000      10.163    4 
-    910000        9099.72     468.496     259.823     728.319   5.92 0.000 1.000 0.136 0.214    4250.435     300.000       8.770    4 
-    920000        9199.71     496.499     232.068     728.567   6.01 0.000 1.000 0.191 0.221    4504.493     300.000       8.134    4 
-    930000        9299.71     556.506     173.723     730.228  10.62 0.000 1.000 0.136 0.169    5048.906     300.000      14.125    4 
-    940000        9399.71     481.719     247.966     729.685   5.96 0.143 0.500 0.273 0.237    4370.400     300.000       8.629    4 
-    950000        9499.71     450.622     283.801     734.423   6.39 0.000 1.000 0.136 0.264    4088.273     300.000      11.200    4 
-    960000        9599.71     496.106     237.909     734.015   6.16 0.071 0.500 0.182 0.465    4500.931     300.000       9.500    4 
-    970000        9699.71     431.877     298.661     730.539   6.60 0.000 1.000 0.136 0.171    3918.213     300.000      11.715    4 
-    980000        9799.71     425.512     304.988     730.500   7.32 0.071 0.500 0.136 0.531    3860.464     300.000      11.876    4 
-    990000        9899.71     524.739     205.628     730.367   4.87 0.000 1.000 0.182 0.144    4760.704     300.000       8.855    4 
-   1000000        9999.71     453.201     276.912     730.113  11.41 0.000   NaN   NaN 0.215    4111.678     300.000      14.537    4 
+         0           0.00      27.807     -51.451     -23.644   2.26 0.786 0.476 0.357 0.199     252.275     300.000       6.690    4 
+     10000         100.00      21.648     -45.291     -23.643   2.27 0.714 0.444 0.255 0.042     196.405     300.000       6.653    4 
+     20000         200.00      22.136     -45.778     -23.642   2.41 0.500 0.462 0.322 0.060     200.829     300.000       6.730    4 
+     30000         300.00      19.758     -43.400     -23.642   1.98 0.714 0.286 0.289 0.040     179.256     300.000       6.783    4 
+     40000         400.00      25.898     -49.541     -23.643   2.15 0.429 0.600 0.252 0.044     234.963     300.000       7.234    4 
+     50000         500.00      18.368     -42.009     -23.642   2.50 0.429 0.400 0.200 0.031     166.640     300.000       7.038    4 
+     60000         600.00      24.935     -48.577     -23.642   1.96 0.286 0.714 0.289 0.030     226.224     300.000       6.980    4 
+     70000         700.00      23.070     -46.713     -23.643   2.36 0.571 0.529 0.265 0.024     209.307     300.000       6.378    4 
+     80000         800.00      21.269     -44.912     -23.643   2.62 0.500 0.562 0.281 0.042     192.964     300.000       6.643    4 
+     90000         900.00      30.083     -53.727     -23.644   2.38 0.429 0.571 0.269 0.048     272.928     300.000       7.242    4 
+    100000        1000.00      24.242     -47.886     -23.643   2.18 0.500 0.650 0.284 0.058     219.940     300.000       6.778    4 
+    110000        1100.00      25.281     -48.925     -23.644   2.46 0.286 0.714 0.344 0.084     229.362     300.000       6.481    4 
+    120000        1200.00      21.671     -45.314     -23.643   2.53 0.286 0.750 0.338 0.072     196.614     300.000       6.652    4 
+    130000        1300.00      24.791     -48.435     -23.644   2.18 0.286 0.667 0.333 0.056     224.919     300.000       6.911    4 
+    140000        1400.00      23.554     -47.198     -23.644   3.02 0.286 0.667 0.201 0.032     213.691     300.000       7.138    4 
+    150000        1500.00      27.423     -51.066     -23.643   5.11 0.214 0.667 0.192 0.049     248.795     300.000       7.994    4 
+    160000        1600.00      25.115     -48.758     -23.644   4.84 0.286 0.692 0.206 0.032     227.854     300.000       7.678    4 
+    170000        1700.00      25.047     -48.690     -23.643   4.49 0.214 0.750 0.250 0.059     227.242     300.000       7.234    4 
+    180000        1800.00      23.530     -47.173     -23.642   4.36 0.357 0.706 0.259 0.031     213.480     300.000       7.095    4 
+    190000        1900.00      23.088     -46.732     -23.643   6.96 0.143 0.833 0.212 0.084     209.468     300.000       7.515    4 
+    200000        2000.00      26.749     -50.393     -23.644   6.90 0.214 0.727 0.298 0.040     242.680     300.000       6.789    4 
+    210000        2100.00      24.637     -48.282     -23.645   6.63 0.214 0.727 0.223 0.094     223.519     300.000       6.997    4 
+    220000        2200.00      30.321     -53.965     -23.645   6.16 0.286 0.667 0.216 0.080     275.084     300.000       7.501    4 
+    230000        2300.00      25.396     -49.040     -23.644   6.15 0.286 0.636 0.211 0.030     230.409     300.000       7.476    4 
+    240000        2400.00      24.425     -48.069     -23.644   5.66 0.286 0.733 0.227 0.073     221.593     300.000       7.162    4 
+    250000        2500.00      22.260     -45.903     -23.643   6.14 0.286 0.600 0.209 0.040     201.957     300.000       7.438    4 
+    260000        2600.00      28.335     -51.979     -23.644   5.98 0.286 0.692 0.245 0.097     257.066     300.000       7.162    4 
+    270000        2700.00      25.464     -49.107     -23.643   6.61 0.214 0.700 0.227 0.058     231.021     300.000       7.707    4 
+    280000        2800.00      26.118     -49.761     -23.643   5.90 0.214 0.727 0.244 0.032     236.957     300.000       7.271    4 
+    290000        2900.00      23.949     -47.593     -23.644   6.27 0.214 0.727 0.248 0.050     217.281     300.000       7.387    4 
+    300000        3000.00      20.553     -44.197     -23.643   6.90 0.143 0.818 0.244 0.078     186.471     300.000       7.267    4 
+    310000        3100.00      21.780     -45.423     -23.642   5.36 0.286 0.600 0.186 0.047     197.601     300.000       7.842    4 
+    320000        3200.00      26.039     -49.684     -23.644   6.57 0.143 0.833 0.246 0.065     236.243     300.000       8.003    4 
+    330000        3300.00      25.381     -49.025     -23.643   5.99 0.214 0.727 0.223 0.055     230.272     300.000       7.280    4 
+    340000        3400.00      26.018     -49.662     -23.643   6.33 0.286 0.667 0.212 0.093     236.053     300.000       7.512    4 
+    350000        3500.00      23.746     -47.389     -23.644   6.14 0.286 0.714 0.231 0.065     215.432     300.000       7.076    4 
+    360000        3600.00      27.450     -51.095     -23.645   6.24 0.143 0.818 0.227 0.091     249.043     300.000       7.716    4 
+    370000        3700.00      23.292     -46.935     -23.643   6.31 0.214 0.700 0.186 0.061     211.319     300.000       8.079    4 
+    380000        3800.00      26.242     -49.886     -23.644   6.10 0.214 0.700 0.200 0.084     238.081     300.000       7.786    4 
+    390000        3900.00      25.597     -49.239     -23.643   6.34 0.214 0.700 0.241 0.076     232.226     300.000       7.095    4 
+    400000        4000.00      30.599     -54.246     -23.646   6.51 0.143 0.800 0.227 0.096     277.614     300.000       7.390    4 
+    410000        4100.00      25.030     -48.674     -23.644   5.99 0.143 0.846 0.203 0.054     227.083     300.000       7.319    4 
+    420000        4200.00      26.819     -50.463     -23.644   6.42 0.357 0.615 0.234 0.029     243.317     300.000       7.100    4 
+    430000        4300.00      23.290     -46.934     -23.645   5.91 0.214 0.727 0.223 0.047     211.294     300.000       7.262    4 
+    440000        4400.00      25.668     -49.313     -23.645   6.60 0.286 0.692 0.224 0.085     232.872     300.000       7.560    4 
+    450000        4500.00      23.150     -46.794     -23.644   6.02 0.214 0.750 0.231 0.060     210.033     300.000       7.415    4 
+    460000        4600.00      27.174     -50.818     -23.644   6.03 0.214 0.786 0.227 0.069     246.536     300.000       7.307    4 
+    470000        4700.00      24.157     -47.801     -23.644   6.82 0.214 0.750 0.227 0.052     219.163     300.000       7.357    4 
+    480000        4800.00      28.134     -51.779     -23.645   5.52 0.286 0.667 0.197 0.060     255.244     300.000       7.446    4 
+    490000        4900.00      22.323     -45.967     -23.644   6.88 0.214 0.700 0.227 0.105     202.525     300.000       7.737    4 
+    500000        5000.00      25.146     -48.790     -23.643   6.22 0.286 0.714 0.227 0.045     228.141     300.000       7.482    4 
+    510000        5100.00      24.306     -47.951     -23.645   6.04 0.286 0.667 0.205 0.088     220.518     300.000       7.288    4 
+    520000        5200.00      26.589     -50.234     -23.645   5.81 0.286 0.667 0.208 0.060     241.229     300.000       7.587    4 
+    530000        5300.00      28.127     -51.773     -23.646   6.33 0.143 0.778 0.232 0.070     255.181     300.000       7.610    4 
+    540000        5400.00      23.850     -47.493     -23.643   6.29 0.286 0.692 0.220 0.052     216.378     300.000       7.395    4 
+    550000        5500.00      22.521     -46.165     -23.645   6.43 0.286 0.636 0.207 0.056     204.318     300.000       7.704    4 
+    560000        5600.00      24.960     -48.605     -23.645   6.31 0.143 0.818 0.215 0.077     226.452     300.000       7.720    4 
+    570000        5700.00      24.752     -48.397     -23.645   6.12 0.214 0.700 0.205 0.111     224.566     300.000       7.743    4 
+    580000        5800.00      25.803     -49.447     -23.644   6.02 0.214 0.769 0.231 0.043     234.099     300.000       7.239    4 
+    590000        5900.00      21.349     -44.993     -23.643   5.94 0.286 0.636 0.202 0.058     193.692     300.000       7.990    4 
+    600000        6000.00      23.008     -46.653     -23.645   6.63 0.286 0.600 0.214 0.068     208.737     300.000       7.930    4 
+    610000        6100.00      22.963     -46.608     -23.646   6.01 0.214 0.667 0.227 0.084     208.330     300.000       8.122    4 
+    620000        6200.00      22.296     -45.941     -23.645   6.04 0.214 0.667 0.222 0.088     202.276     300.000       8.234    4 
+    630000        6300.00      22.328     -45.972     -23.644   6.48 0.286 0.692 0.206 0.078     202.574     300.000       7.740    4 
+    640000        6400.00      25.124     -48.768     -23.645   6.58 0.214 0.750 0.208 0.042     227.936     300.000       6.872    4 
+    650000        6500.00      27.634     -51.280     -23.646   7.10 0.357 0.583 0.250 0.089     250.712     300.000       6.869    4 
+    660000        6600.00      23.778     -47.420     -23.643   6.42 0.143 0.846 0.266 0.036     215.723     300.000       7.019    4 
+    670000        6700.00      22.687     -46.330     -23.644   7.17 0.357 0.688 0.230 0.078     205.826     300.000       7.321    4 
+    680000        6800.00      24.176     -47.820     -23.644   5.52 0.286 0.667 0.212 0.055     219.337     300.000       7.175    4 
+    690000        6900.00      20.864     -44.507     -23.643   6.84 0.143 0.750 0.227 0.034     189.288     300.000       7.478    4 
+    700000        7000.00      21.730     -45.373     -23.643   6.12 0.286 0.667 0.216 0.057     197.146     300.000       7.474    4 
+    710000        7100.00      25.556     -49.199     -23.643   6.18 0.286 0.692 0.224 0.045     231.855     300.000       7.264    4 
+    720000        7200.00      25.534     -49.178     -23.644   6.57 0.143 0.778 0.222 0.051     231.659     300.000       7.602    4 
+    730000        7300.00      24.535     -48.178     -23.643   5.95 0.286 0.600 0.209 0.061     222.596     300.000       7.668    4 
+    740000        7400.00      27.494     -51.138     -23.644   5.76 0.214 0.750 0.205 0.077     249.437     300.000       7.435    4 
+    750000        7500.00      25.292     -48.936     -23.645   6.71 0.286 0.667 0.208 0.063     229.459     300.000       7.624    4 
+    760000        7600.00      24.592     -48.236     -23.645   5.67 0.286 0.667 0.212 0.048     223.107     300.000       7.339    4 
+    770000        7700.00      19.926     -43.569     -23.643   6.48 0.286 0.667 0.227 0.085     180.777     300.000       7.461    4 
+    780000        7800.00      22.946     -46.589     -23.643   6.04 0.357 0.545 0.198 0.049     208.175     300.000       7.850    4 
+    790000        7900.00      24.904     -48.548     -23.645   5.75 0.214 0.700 0.205 0.056     225.938     300.000       8.089    4 
+    800000        8000.00      25.086     -48.731     -23.644   6.58 0.357 0.643 0.237 0.062     227.598     300.000       7.175    4 
+    810000        8100.00      29.894     -53.539     -23.645   6.29 0.214 0.769 0.238 0.052     271.213     300.000       6.901    4 
+    820000        8200.00      22.184     -45.827     -23.643   7.31 0.214 0.727 0.231 0.036     201.265     300.000       7.377    4 
+    830000        8300.00      25.694     -49.338     -23.644   5.81 0.143 0.846 0.238 0.073     233.110     300.000       7.021    4 
+    840000        8400.00      26.982     -50.628     -23.645   6.70 0.286 0.600 0.195 0.037     244.799     300.000       8.108    4 
+    850000        8500.00      25.888     -49.533     -23.645   6.06 0.286 0.714 0.237 0.082     234.866     300.000       7.438    4 
+    860000        8600.00      26.098     -49.744     -23.646   6.26 0.357 0.615 0.217 0.037     236.774     300.000       7.268    4 
+    870000        8700.00      25.856     -49.501     -23.645   6.89 0.286 0.600 0.209 0.059     234.575     300.000       7.648    4 
+    880000        8800.00      26.832     -50.476     -23.645   5.97 0.214 0.667 0.207 0.058     243.430     300.000       8.032    4 
+    890000        8900.00      24.017     -47.662     -23.645   6.27 0.286 0.600 0.214 0.067     217.895     300.000       7.913    4 
+    900000        9000.00      28.682     -52.327     -23.645   6.25 0.143 0.750 0.210 0.069     260.219     300.000       7.808    4 
+    910000        9100.00      24.734     -48.378     -23.644   6.44 0.143 0.750 0.199 0.051     224.399     300.000       7.450    4 
+    920000        9200.00      26.666     -50.311     -23.644   5.93 0.143 0.833 0.250 0.056     241.928     300.000       7.242    4 
+    930000        9300.00      24.587     -48.231     -23.644   6.97 0.214 0.786 0.208 0.070     223.064     300.000       6.861    4 
+    940000        9400.00      25.296     -48.941     -23.645   6.08 0.214 0.750 0.239 0.067     229.496     300.000       7.216    4 
+    950000        9500.00      25.998     -49.642     -23.644   5.90 0.214 0.625 0.188 0.054     235.863     300.000       8.008    4 
+    960000        9600.00      26.484     -50.129     -23.645   6.63 0.214 0.700 0.218 0.062     240.275     300.000       7.356    4 
+    970000        9700.00      24.137     -47.779     -23.642   6.87 0.143 0.818 0.236 0.032     218.984     300.000       7.084    4 
+    980000        9800.00      26.852     -50.496     -23.644   5.79 0.214 0.769 0.213 0.045     243.619     300.000       7.135    4 
+    990000        9900.00      26.330     -49.975     -23.645   6.47 0.143 0.750 0.205 0.069     238.877     300.000       7.705    4 
+   1000000       10000.00      25.562     -49.205     -23.644   6.21 0.214 0.667 0.212 0.047     231.910     300.000       7.426    4 
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB005.stat b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB005.stat
index 9ee7373..c2cf647 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB005.stat
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB005.stat
@@ -1,101 +1,101 @@
-         0           0.00      34.712     662.810     697.522   0.00 1.000 0.000 0.308 8.660     314.929     300.000       7.001    5 
-     10000         100.00     415.254     280.980     696.233   9.00 0.000 1.000 0.136 0.278    3767.395     300.000      11.529    5 
-     20000         200.00     410.478     285.874     696.353   7.58 0.143 0.000 0.136 0.291    3724.070     300.000      11.052    5 
-     30000         300.00     449.534     247.603     697.137   8.16 0.000 1.000 0.136 0.227    4078.406     300.000      11.538    5 
-     40000         399.99     443.911     253.586     697.497   7.84 0.071 0.500 0.182 0.322    4027.387     300.000       9.883    5 
-     50000         499.99     391.690     305.629     697.319  11.26 0.071 0.500 0.136 0.208    3553.613     300.000      13.906    5 
-     60000         599.99     476.009     220.952     696.960   7.85 0.071 0.000 0.136 0.307    4318.595     300.000      11.353    5 
-     70000         699.99     398.775     299.068     697.843   9.91 0.000 1.000 0.205 0.206    3617.897     300.000      12.198    5 
-     80000         799.97     422.582     269.967     692.549   6.87 0.000 1.000 0.136 0.289    3833.880     300.000      11.371    5 
-     90000         899.97     445.825     246.100     691.925   7.50 0.000 1.000 0.273 0.433    4044.750     300.000       8.954    5 
-    100000         999.96     413.473     277.352     690.825   6.33 0.143 0.000 0.182 0.337    3751.244     300.000      10.488    5 
-    110000        1099.96     449.053     242.521     691.574   5.80 0.000 1.000 0.136 0.314    4074.042     300.000      10.067    5 
-    120000        1199.96     535.383     155.155     690.538   5.55 0.000   NaN   NaN 0.322    4857.272     300.000      10.131    5 
-    130000        1299.95     394.993     293.774     688.767   7.27 0.071 0.000 0.182 0.370    3583.582     300.000      11.586    5 
-    140000        1399.95     496.256     192.743     688.999   8.71 0.000   NaN   NaN 0.365    4502.290     300.000      13.402    5 
-    150000        1499.95     446.020     242.700     688.719   6.41 0.071 0.750 0.170 0.410    4046.522     300.000       9.590    5 
-    160000        1599.95     434.503     252.994     687.497   6.75 0.000 1.000 0.136 0.183    3942.040     300.000      11.110    5 
-    170000        1699.95     385.370     302.014     687.383   8.72 0.071 0.500 0.182 0.172    3496.275     300.000      12.219    5 
-    180000        1799.95     432.134     259.838     691.971   8.38 0.000 1.000 0.197 0.204    3920.539     300.000      10.651    5 
-    190000        1899.95     386.168     305.420     691.587   8.57 0.000   NaN   NaN 0.258    3503.512     300.000      12.550    5 
-    200000        1999.94     476.711     214.307     691.019   6.29 0.000 1.000 0.523 0.244    4324.973     300.000       8.434    5 
-    210000        2099.94     463.276     227.198     690.474   7.99 0.071 0.000 0.136 0.373    4203.083     300.000      12.452    5 
-    220000        2199.93     479.891     212.020     691.911   6.82 0.000 1.000 0.182 0.373    4353.822     300.000      11.064    5 
-    230000        2299.93     400.932     290.968     691.899   7.28 0.000 1.000 0.197 0.434    3637.459     300.000      10.831    5 
-    240000        2399.93     482.073     211.999     694.072   4.65 0.071 0.800 0.291 0.294    4373.613     300.000       7.879    5 
-    250000        2499.93     435.245     258.744     693.990  11.67 0.000   NaN   NaN 0.248    3948.771     300.000      14.788    5 
-    260000        2599.93     414.544     280.872     695.417   5.74 0.000 1.000 0.307 0.321    3760.962     300.000       8.057    5 
-    270000        2699.93     406.796     289.523     696.319   7.30 0.000 1.000 0.136 0.264    3690.665     300.000      10.006    5 
-    280000        2799.93     477.934     219.498     697.432   6.62 0.000 1.000 0.295 0.331    4336.066     300.000      10.966    5 
-    290000        2899.93     479.079     217.540     696.618   6.79 0.000 1.000 0.182 0.294    4346.449     300.000       9.132    5 
-    300000        2999.93     487.193     209.408     696.601   6.91 0.000   NaN   NaN 0.180    4420.067     300.000      11.078    5 
-    310000        3099.92     504.785     191.603     696.388   6.33 0.071 0.000 0.136 0.457    4579.669     300.000       8.789    5 
-    320000        3199.92     424.472     271.621     696.093   7.23 0.000   NaN   NaN 0.386    3851.032     300.000       9.676    5 
-    330000        3299.92     427.055     269.361     696.416   8.44 0.000 1.000 0.152 0.411    3874.460     300.000      11.628    5 
-    340000        3399.92     475.682     220.556     696.238   6.64 0.071 0.000 0.136 0.344    4315.635     300.000      10.624    5 
-    350000        3499.92     398.791     298.988     697.779   9.17 0.071 0.000 0.136 0.194    3618.038     300.000      11.318    5 
-    360000        3599.92     492.736     204.705     697.441   9.33 0.000 1.000 0.197 0.449    4470.359     300.000      13.163    5 
-    370000        3699.92     466.065     232.265     698.329   7.31 0.000 1.000 0.227 0.262    4228.381     300.000       8.971    5 
-    380000        3799.92     444.074     256.125     700.199   8.44 0.000 1.000 0.182 0.136    4028.865     300.000      12.375    5 
-    390000        3899.92     469.114     231.214     700.328   7.31 0.071 0.500 0.205 0.345    4256.046     300.000      10.727    5 
-    400000        3999.92     464.850     235.630     700.480   7.58 0.000   NaN   NaN 0.203    4217.358     300.000      11.499    5 
-    410000        4099.92     516.961     183.621     700.582   8.19 0.071 0.500 0.136 0.401    4690.136     300.000       9.881    5 
-    420000        4199.92     413.263     287.316     700.579   6.71 0.000 1.000 0.136 0.162    3749.334     300.000      10.773    5 
-    430000        4299.92     403.703     296.579     700.282   7.98 0.000 1.000 0.205 0.139    3662.602     300.000      10.717    5 
-    440000        4399.91     450.014     250.427     700.442   7.89 0.143 0.500 0.170 0.351    4082.764     300.000      11.246    5 
-    450000        4499.91     451.233     247.130     698.362   7.30 0.000 1.000 0.136 0.390    4093.815     300.000      11.480    5 
-    460000        4599.90     448.333     251.532     699.866   6.75 0.000 1.000 0.182 0.227    4067.510     300.000       9.516    5 
-    470000        4699.90     485.656     214.450     700.106   9.10 0.000   NaN   NaN 0.188    4406.118     300.000      13.498    5 
-    480000        4799.88     472.685     229.685     702.369   6.90 0.000   NaN   NaN 0.182    4288.439     300.000      10.959    5 
-    490000        4899.88     449.750     250.497     700.247   6.43 0.000   NaN   NaN 0.370    4080.363     300.000      11.348    5 
-    500000        4999.88     494.139     205.705     699.844   6.56 0.000   NaN   NaN 0.210    4483.087     300.000      10.220    5 
-    510000        5099.87     472.727     226.332     699.058   5.94 0.000 1.000 0.470 0.216    4288.820     300.000       8.118    5 
-    520000        5199.87     450.382     248.553     698.935   8.88 0.000 1.000 0.182 0.309    4086.100     300.000      11.846    5 
-    530000        5299.87     443.714     253.772     697.485   5.97 0.000 1.000 0.242 0.253    4025.598     300.000       8.310    5 
-    540000        5399.87     406.835     291.307     698.142   8.76 0.143 0.333 0.182 0.226    3691.018     300.000      11.079    5 
-    550000        5499.87     446.161     251.598     697.760   6.73 0.071 0.667 0.136 0.234    4047.805     300.000      10.092    5 
-    560000        5599.87     431.122     266.777     697.899   6.41 0.000   NaN   NaN 0.135    3911.363     300.000      10.890    5 
-    570000        5699.87     433.537     262.170     695.707   6.00 0.000 1.000 0.136 0.196    3933.271     300.000      10.322    5 
-    580000        5799.87     479.889     215.280     695.168   7.00 0.000 1.000 0.136 0.287    4353.799     300.000      10.971    5 
-    590000        5899.87     465.812     229.773     695.585   5.69 0.071 0.667 0.318 0.369    4226.084     300.000       8.091    5 
-    600000        5999.87     422.997     272.669     695.666   9.03 0.071 0.667 0.136 0.330    3837.645     300.000      12.917    5 
-    610000        6099.87     437.731     256.547     694.278   6.50 0.000 1.000 0.159 0.199    3971.322     300.000      10.526    5 
-    620000        6199.87     410.642     284.357     694.999   6.20 0.000 1.000 0.295 0.184    3725.557     300.000      10.457    5 
-    630000        6299.87     410.019     285.031     695.050   8.18 0.000 1.000 0.136 0.248    3719.900     300.000      12.480    5 
-    640000        6399.87     432.368     263.211     695.579   5.83 0.000   NaN   NaN 0.283    3922.663     300.000       8.264    5 
-    650000        6499.87     478.409     216.808     695.217   5.15 0.000   NaN   NaN 0.550    4340.372     300.000       9.377    5 
-    660000        6599.87     482.021     213.942     695.963   5.59 0.000   NaN   NaN 0.217    4373.147     300.000       9.533    5 
-    670000        6699.87     427.583     267.918     695.501   5.56 0.000 1.000 0.136 0.254    3879.250     300.000       9.396    5 
-    680000        6799.87     463.249     231.964     695.212   9.58 0.000   NaN   NaN 0.173    4202.830     300.000      13.339    5 
-    690000        6899.85     486.802     208.817     695.619   5.46 0.071 0.667 0.182 0.158    4416.517     300.000       9.175    5 
-    700000        6999.85     414.788     280.564     695.352   7.72 0.071 0.500 0.159 0.286    3763.170     300.000      11.295    5 
-    710000        7099.85     488.388     206.669     695.057   5.47 0.000 1.000 0.205 0.223    4430.906     300.000       8.857    5 
-    720000        7199.85     395.532     299.149     694.681   8.54 0.143 0.333 0.152 0.288    3588.474     300.000      11.488    5 
-    730000        7299.85     437.867     256.874     694.741   5.78 0.000   NaN   NaN 0.305    3972.552     300.000       9.284    5 
-    740000        7399.85     387.734     306.782     694.517   8.56 0.000   NaN   NaN 0.376    3517.727     300.000      12.739    5 
-    750000        7499.85     474.907     222.180     697.087   5.71 0.143 0.667 0.174 0.277    4308.600     300.000       9.306    5 
-    760000        7599.85     429.110     268.298     697.408   8.87 0.071 0.667 0.182 0.250    3893.109     300.000      12.458    5 
-    770000        7699.85     422.266     274.832     697.098   7.24 0.000 1.000 0.288 0.147    3831.017     300.000       9.564    5 
-    780000        7799.85     431.144     265.879     697.023   7.47 0.071 0.500 0.136 0.252    3911.561     300.000      10.688    5 
-    790000        7899.85     440.021     259.601     699.622   7.83 0.000   NaN   NaN 0.231    3992.098     300.000      12.046    5 
-    800000        7999.85     427.752     271.607     699.359   4.88 0.143 0.714 0.292 0.467    3880.783     300.000       7.634    5 
-    810000        8099.84     504.245     200.619     704.864   5.78 0.071 0.750 0.205 0.260    4574.775     300.000       9.416    5 
-    820000        8199.84     438.681     266.189     704.870   8.54 0.000 1.000 0.250 0.190    3979.940     300.000      12.051    5 
-    830000        8299.84     439.066     264.814     703.880   6.51 0.000 1.000 0.364 0.203    3983.437     300.000       9.417    5 
-    840000        8399.84     444.937     259.318     704.255   7.45 0.000 1.000 0.182 0.271    4036.701     300.000      11.359    5 
-    850000        8499.84     464.599     240.008     704.607   6.93 0.000 1.000 0.136 0.266    4215.083     300.000      11.495    5 
-    860000        8599.84     467.822     237.331     705.153   7.04 0.071 0.000 0.136 0.504    4244.325     300.000       9.857    5 
-    870000        8699.84     466.296     238.924     705.221   9.35 0.000   NaN   NaN 0.304    4230.480     300.000      12.217    5 
-    880000        8799.82     515.307     190.533     705.840   6.26 0.071 0.750 0.205 0.322    4675.136     300.000       9.611    5 
-    890000        8899.81     381.768     323.137     704.906   7.79 0.000 1.000 0.136 0.246    3463.598     300.000      11.705    5 
-    900000        8999.81     469.310     236.085     705.395   6.02 0.000   NaN   NaN 0.535    4257.826     300.000       9.994    5 
-    910000        9099.81     476.395     228.618     705.013   9.89 0.071 0.667 0.152 0.143    4322.100     300.000      12.664    5 
-    920000        9199.81     436.236     267.870     704.106   9.07 0.000   NaN   NaN 0.334    3957.757     300.000      11.872    5 
-    930000        9299.81     466.543     237.739     704.282   7.79 0.000   NaN   NaN 0.318    4232.716     300.000      10.188    5 
-    940000        9399.81     487.335     217.807     705.143   6.22 0.000   NaN   NaN 0.391    4421.358     300.000       9.715    5 
-    950000        9499.81     473.365     232.207     705.571  10.56 0.000   NaN   NaN 0.279    4294.607     300.000      14.010    5 
-    960000        9599.81     474.041     231.392     705.432   9.19 0.000 1.000 0.159 0.276    4300.744     300.000      12.660    5 
-    970000        9699.81     444.233     260.916     705.150   7.87 0.000 1.000 0.136 0.220    4030.313     300.000      10.156    5 
-    980000        9799.80     492.188     213.810     705.998   4.44 0.071 0.500 0.136 0.274    4465.386     300.000       9.406    5 
-    990000        9899.80     483.493     222.439     705.932   8.42 0.000   NaN   NaN 0.231    4386.496     300.000      12.891    5 
-   1000000        9999.80     405.263     299.112     704.375   7.92 0.000 1.000 0.409 0.308    3676.756     300.000      10.273    5 
+         0           0.00      34.243     -51.451     -17.207   2.26 0.786 0.476 0.357 0.199     310.672     300.000       6.690    5 
+     10000         100.00      30.138     -47.343     -17.205   1.83 0.571 0.385 0.283 0.047     273.431     300.000       7.064    5 
+     20000         200.00      32.160     -49.364     -17.205   2.02 0.571 0.467 0.255 0.035     291.768     300.000       6.859    5 
+     30000         300.00      27.237     -44.441     -17.205   3.65 0.429 0.600 0.242 0.062     247.105     300.000       6.979    5 
+     40000         400.00      34.092     -51.297     -17.204   3.05 0.357 0.667 0.312 0.093     309.304     300.000       6.722    5 
+     50000         500.00      32.848     -50.053     -17.205   2.57 0.357 0.643 0.282 0.046     298.018     300.000       6.564    5 
+     60000         600.00      26.855     -44.059     -17.204   2.10 0.500 0.562 0.344 0.051     243.638     300.000       6.567    5 
+     70000         700.00      28.869     -46.075     -17.206   2.37 0.571 0.467 0.339 0.048     261.911     300.000       6.479    5 
+     80000         800.00      28.190     -45.396     -17.206   2.39 0.500 0.500 0.282 0.097     255.758     300.000       6.535    5 
+     90000         900.00      29.584     -46.790     -17.205   1.97 0.500 0.533 0.267 0.045     268.406     300.000       6.661    5 
+    100000        1000.00      26.909     -44.114     -17.205   2.20 0.571 0.579 0.347 0.061     244.132     300.000       6.580    5 
+    110000        1100.00      29.350     -46.555     -17.205   2.47 0.357 0.667 0.303 0.046     266.278     300.000       6.545    5 
+    120000        1200.00      22.088     -39.292     -17.204   2.20 0.286 0.600 0.355 0.029     200.392     300.000       6.563    5 
+    130000        1300.00      29.972     -47.176     -17.204   2.84 0.357 0.615 0.301 0.065     271.923     300.000       6.786    5 
+    140000        1400.00      23.293     -40.497     -17.205   2.70 0.357 0.500 0.386 0.052     211.323     300.000       6.825    5 
+    150000        1500.00      28.220     -45.424     -17.205   2.40 0.429 0.600 0.379 0.058     256.022     300.000       6.512    5 
+    160000        1600.00      31.046     -48.251     -17.205   1.95 0.643 0.500 0.326 0.082     281.664     300.000       6.659    5 
+    170000        1700.00      30.503     -47.708     -17.205   2.20 0.571 0.385 0.262 0.038     276.739     300.000       6.723    5 
+    180000        1800.00      23.288     -40.493     -17.205   2.81 0.429 0.600 0.358 0.062     211.280     300.000       6.527    5 
+    190000        1900.00      27.152     -44.359     -17.206   2.48 0.357 0.500 0.182 0.035     246.341     300.000       6.959    5 
+    200000        2000.00      28.272     -45.477     -17.205   3.12 0.429 0.625 0.355 0.106     256.499     300.000       6.472    5 
+    210000        2100.00      25.940     -43.145     -17.205   3.80 0.500 0.611 0.381 0.060     235.345     300.000       6.549    5 
+    220000        2200.00      26.856     -44.061     -17.205   3.36 0.214 0.727 0.322 0.052     243.651     300.000       7.059    5 
+    230000        2300.00      31.094     -48.301     -17.206   3.15 0.500 0.500 0.282 0.066     282.103     300.000       6.643    5 
+    240000        2400.00      22.503     -39.709     -17.206   3.05 0.429 0.455 0.310 0.063     204.155     300.000       7.056    5 
+    250000        2500.00      30.810     -48.017     -17.207   2.34 0.429 0.600 0.248 0.047     279.525     300.000       6.669    5 
+    260000        2600.00      29.444     -46.650     -17.206   3.00 0.429 0.600 0.318 0.055     267.132     300.000       6.937    5 
+    270000        2700.00      27.985     -45.191     -17.205   3.24 0.357 0.615 0.329 0.102     253.898     300.000       7.054    5 
+    280000        2800.00      33.418     -50.623     -17.205   3.13 0.429 0.667 0.295 0.061     303.187     300.000       6.810    5 
+    290000        2900.00      30.075     -47.279     -17.204   2.68 0.429 0.455 0.293 0.047     272.856     300.000       6.976    5 
+    300000        3000.00      25.388     -42.593     -17.205   4.11 0.214 0.500 0.189 0.051     230.329     300.000       7.271    5 
+    310000        3100.00      28.400     -45.605     -17.205   2.89 0.357 0.667 0.267 0.070     257.656     300.000       6.726    5 
+    320000        3200.00      25.232     -42.438     -17.206   2.38 0.429 0.500 0.261 0.045     228.919     300.000       7.091    5 
+    330000        3300.00      31.527     -48.732     -17.206   2.57 0.429 0.571 0.308 0.041     286.025     300.000       6.706    5 
+    340000        3400.00      27.243     -44.448     -17.205   2.98 0.429 0.600 0.297 0.114     247.165     300.000       6.763    5 
+    350000        3500.00      24.166     -41.370     -17.205   2.99 0.214 0.700 0.277 0.086     219.245     300.000       6.769    5 
+    360000        3600.00      24.519     -41.723     -17.204   2.82 0.357 0.615 0.266 0.078     222.450     300.000       6.375    5 
+    370000        3700.00      26.513     -43.719     -17.206   2.23 0.500 0.533 0.303 0.078     240.538     300.000       6.753    5 
+    380000        3800.00      29.807     -47.012     -17.205   3.43 0.286 0.692 0.322 0.037     270.422     300.000       6.593    5 
+    390000        3900.00      30.220     -47.424     -17.204   3.44 0.286 0.692 0.290 0.033     274.171     300.000       6.820    5 
+    400000        4000.00      20.726     -37.927     -17.201   3.37 0.429 0.455 0.178 0.055     188.038     300.000       7.888    5 
+    410000        4100.00      27.321     -44.524     -17.203   2.54 0.286 0.556 0.197 0.033     247.872     300.000       7.579    5 
+    420000        4200.00      22.406     -39.608     -17.202   1.88 0.500 0.300 0.295 0.044     203.276     300.000       6.952    5 
+    430000        4300.00      27.071     -44.273     -17.202   1.92 0.643 0.357 0.312 0.041     245.601     300.000       6.623    5 
+    440000        4400.00      25.399     -42.601     -17.202   2.66 0.500 0.417 0.258 0.047     230.434     300.000       6.931    5 
+    450000        4500.00      34.398     -51.601     -17.204   3.62 0.357 0.688 0.273 0.085     312.074     300.000       6.643    5 
+    460000        4600.00      28.991     -46.197     -17.206   3.11 0.357 0.583 0.280 0.112     263.022     300.000       6.939    5 
+    470000        4700.00      26.171     -43.374     -17.203   3.14 0.357 0.583 0.364 0.072     237.439     300.000       7.062    5 
+    480000        4800.00      29.258     -46.463     -17.205   3.00 0.357 0.615 0.325 0.080     265.440     300.000       6.393    5 
+    490000        4900.00      29.641     -46.846     -17.205   2.93 0.357 0.545 0.302 0.053     268.919     300.000       6.854    5 
+    500000        5000.00      30.157     -47.364     -17.206   3.62 0.214 0.727 0.331 0.096     273.601     300.000       6.676    5 
+    510000        5100.00      25.890     -43.092     -17.202   3.07 0.357 0.583 0.326 0.031     234.887     300.000       6.906    5 
+    520000        5200.00      29.864     -47.069     -17.204   3.66 0.214 0.667 0.313 0.035     270.945     300.000       6.884    5 
+    530000        5300.00      30.991     -48.195     -17.204   3.18 0.500 0.500 0.312 0.068     281.166     300.000       6.501    5 
+    540000        5400.00      23.934     -41.136     -17.202   3.19 0.357 0.583 0.299 0.090     217.143     300.000       6.706    5 
+    550000        5500.00      29.114     -46.319     -17.204   2.96 0.429 0.538 0.273 0.104     264.142     300.000       6.601    5 
+    560000        5600.00      29.406     -46.609     -17.203   2.93 0.357 0.688 0.392 0.042     266.783     300.000       6.375    5 
+    570000        5700.00      28.837     -46.040     -17.204   2.99 0.286 0.750 0.384 0.065     261.620     300.000       6.315    5 
+    580000        5800.00      30.302     -47.507     -17.205   2.92 0.143 0.778 0.298 0.070     274.918     300.000       6.528    5 
+    590000        5900.00      31.480     -48.685     -17.205   2.74 0.429 0.538 0.287 0.079     285.602     300.000       7.293    5 
+    600000        6000.00      34.512     -51.717     -17.204   2.53 0.429 0.647 0.326 0.075     313.114     300.000       6.780    5 
+    610000        6100.00      23.100     -40.304     -17.204   3.19 0.500 0.611 0.369 0.096     209.575     300.000       6.510    5 
+    620000        6200.00      31.966     -49.171     -17.205   1.72 0.500 0.500 0.305 0.037     290.009     300.000       6.805    5 
+    630000        6300.00      27.717     -44.921     -17.204   2.74 0.357 0.545 0.368 0.076     251.460     300.000       6.844    5 
+    640000        6400.00      31.187     -48.390     -17.203   2.59 0.429 0.625 0.315 0.064     282.942     300.000       6.558    5 
+    650000        6500.00      28.867     -46.071     -17.204   2.02 0.357 0.545 0.248 0.076     261.900     300.000       6.977    5 
+    660000        6600.00      28.494     -45.697     -17.203   2.29 0.357 0.643 0.321 0.065     258.513     300.000       6.447    5 
+    670000        6700.00      29.039     -46.242     -17.203   2.18 0.286 0.636 0.355 0.061     263.457     300.000       6.902    5 
+    680000        6800.00      32.884     -50.087     -17.203   2.28 0.286 0.733 0.330 0.037     298.340     300.000       6.655    5 
+    690000        6900.00      32.120     -49.323     -17.203   1.94 0.429 0.625 0.222 0.086     291.410     300.000       6.743    5 
+    700000        7000.00      29.961     -47.165     -17.204   2.28 0.571 0.467 0.288 0.085     271.822     300.000       6.526    5 
+    710000        7100.00      25.287     -42.491     -17.204   2.17 0.214 0.700 0.273 0.079     229.421     300.000       6.673    5 
+    720000        7200.00      31.461     -48.666     -17.205   2.53 0.429 0.600 0.309 0.056     285.430     300.000       6.475    5 
+    730000        7300.00      32.166     -49.371     -17.204   1.82 0.500 0.417 0.284 0.072     291.827     300.000       6.848    5 
+    740000        7400.00      28.609     -45.815     -17.206   2.72 0.500 0.533 0.376 0.087     259.559     300.000       6.621    5 
+    750000        7500.00      29.690     -46.892     -17.203   2.47 0.571 0.529 0.297 0.028     269.360     300.000       6.503    5 
+    760000        7600.00      29.397     -46.603     -17.206   2.36 0.500 0.462 0.301 0.138     266.705     300.000       6.581    5 
+    770000        7700.00      26.646     -43.851     -17.205   2.19 0.500 0.417 0.265 0.085     241.750     300.000       6.910    5 
+    780000        7800.00      27.754     -44.959     -17.205   2.21 0.571 0.579 0.340 0.067     251.801     300.000       6.925    5 
+    790000        7900.00      26.774     -43.978     -17.204   2.57 0.429 0.600 0.318 0.046     242.905     300.000       6.497    5 
+    800000        8000.00      27.165     -44.369     -17.204   2.48 0.500 0.417 0.314 0.056     246.453     300.000       6.739    5 
+    810000        8100.00      26.168     -43.372     -17.204   3.22 0.357 0.500 0.295 0.060     237.411     300.000       6.832    5 
+    820000        8200.00      30.771     -47.976     -17.204   3.75 0.214 0.727 0.298 0.092     279.171     300.000       6.716    5 
+    830000        8300.00      26.115     -43.319     -17.204   2.49 0.429 0.538 0.231 0.073     236.925     300.000       6.861    5 
+    840000        8400.00      30.843     -48.047     -17.204   2.37 0.429 0.647 0.334 0.053     279.828     300.000       6.471    5 
+    850000        8500.00      30.143     -47.348     -17.205   2.44 0.500 0.500 0.321 0.059     273.473     300.000       6.498    5 
+    860000        8600.00      30.498     -47.703     -17.205   2.40 0.500 0.500 0.250 0.055     276.694     300.000       6.751    5 
+    870000        8700.00      29.714     -46.919     -17.205   2.27 0.429 0.625 0.293 0.085     269.577     300.000       6.396    5 
+    880000        8800.00      23.745     -40.950     -17.205   2.38 0.500 0.533 0.376 0.089     215.431     300.000       6.905    5 
+    890000        8900.00      30.159     -47.364     -17.205   2.72 0.429 0.571 0.344 0.099     273.616     300.000       6.382    5 
+    900000        9000.00      29.898     -47.103     -17.205   2.30 0.286 0.667 0.288 0.071     271.248     300.000       6.640    5 
+    910000        9100.00      28.229     -45.434     -17.205   3.53 0.071 0.889 0.247 0.083     256.110     300.000       6.857    5 
+    920000        9200.00      30.545     -47.751     -17.207   2.31 0.571 0.600 0.311 0.065     277.116     300.000       6.437    5 
+    930000        9300.00      26.757     -43.963     -17.206   3.24 0.143 0.846 0.322 0.076     242.753     300.000       6.690    5 
+    940000        9400.00      27.792     -44.998     -17.205   2.32 0.286 0.750 0.301 0.092     252.145     300.000       6.458    5 
+    950000        9500.00      27.315     -44.521     -17.206   2.70 0.500 0.632 0.364 0.066     247.819     300.000       6.344    5 
+    960000        9600.00      24.104     -41.308     -17.204   1.85 0.429 0.500 0.345 0.053     218.686     300.000       6.725    5 
+    970000        9700.00      28.251     -45.457     -17.206   2.05 0.286 0.600 0.295 0.068     256.306     300.000       6.839    5 
+    980000        9800.00      28.850     -46.054     -17.205   2.50 0.500 0.500 0.386 0.095     261.738     300.000       6.455    5 
+    990000        9900.00      31.306     -48.513     -17.208   2.54 0.429 0.455 0.306 0.066     284.020     300.000       6.541    5 
+   1000000       10000.00      27.456     -44.662     -17.206   2.26 0.286 0.692 0.269 0.057     249.097     300.000       7.054    5 
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB006.stat b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB006.stat
index 2394159..bbbea25 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB006.stat
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB006.stat
@@ -1,101 +1,101 @@
-         0           0.00      35.031     662.810     697.840   0.00 1.000 0.000 0.308 8.660     317.817     300.000       7.001    6 
-     10000         100.00     469.986     226.510     696.497   5.00 0.071 0.500 0.159 0.402    4263.960     300.000       8.903    6 
-     20000         200.00     435.060     261.249     696.309  10.60 0.071 0.000 0.136 0.174    3947.089     300.000      13.822    6 
-     30000         300.00     495.270     201.918     697.188   7.10 0.000 1.000 0.136 0.233    4493.343     300.000       9.850    6 
-     40000         400.00     422.456     279.465     701.920   9.07 0.071 0.667 0.152 0.190    3832.736     300.000      12.632    6 
-     50000         499.99     413.436     284.693     698.129   7.08 0.000 1.000 0.182 0.188    3750.906     300.000       9.730    6 
-     60000         599.99     476.935     220.260     697.195   5.45 0.000   NaN   NaN 0.201    4327.001     300.000       9.861    6 
-     70000         699.99     506.568     190.676     697.244   8.42 0.000   NaN   NaN 0.226    4595.850     300.000      12.453    6 
-     80000         799.98     443.872     244.230     688.102   7.61 0.000   NaN   NaN 0.722    4027.038     300.000      10.455    6 
-     90000         899.98     452.794     235.943     688.737   9.93 0.071 0.000 0.136 0.362    4107.978     300.000      13.631    6 
-    100000         999.98     414.926     272.936     687.862   6.52 0.000   NaN   NaN 0.191    3764.425     300.000      10.599    6 
-    110000        1099.98     393.981     293.844     687.825   7.99 0.000 1.000 0.250 0.237    3574.398     300.000      10.573    6 
-    120000        1199.98     475.786     211.984     687.769   8.37 0.000   NaN   NaN 0.252    4316.572     300.000      11.804    6 
-    130000        1299.98     452.231     235.483     687.714   9.25 0.000 1.000 0.136 0.248    4102.873     300.000      11.942    6 
-    140000        1399.98     486.418     200.996     687.414   6.91 0.000 1.000 0.136 0.172    4413.037     300.000      11.096    6 
-    150000        1499.98     408.712     278.398     687.110   5.33 0.000 1.000 0.273 0.221    3708.046     300.000       9.644    6 
-    160000        1599.97     418.648     266.735     685.383   9.62 0.000 1.000 0.136 0.309    3798.192     300.000      13.428    6 
-    170000        1699.97     495.017     189.940     684.957   9.19 0.071 0.500 0.136 0.408    4491.048     300.000      12.402    6 
-    180000        1799.97     466.829     217.605     684.435   7.34 0.000 1.000 0.273 0.428    4235.317     300.000      10.742    6 
-    190000        1899.97     483.929     199.566     683.495  10.03 0.000   NaN   NaN 0.256    4390.455     300.000      12.902    6 
-    200000        1999.97     464.191     219.320     683.511   5.94 0.000 1.000 0.136 0.186    4211.382     300.000      10.376    6 
-    210000        2099.97     413.454     264.908     678.362   9.88 0.000 1.000 0.136 0.421    3751.067     300.000      13.109    6 
-    220000        2199.97     420.768     262.347     683.115   6.12 0.000 1.000 0.227 0.199    3817.427     300.000       8.894    6 
-    230000        2299.97     442.298     241.157     683.455   9.90 0.143 0.500 0.170 0.252    4012.752     300.000      11.811    6 
-    240000        2399.97     485.864     198.041     683.905   7.38 0.000   NaN   NaN 0.222    4408.012     300.000      11.023    6 
-    250000        2499.97     473.126     207.785     680.911   5.99 0.000   NaN   NaN 0.311    4292.444     300.000       9.454    6 
-    260000        2599.97     459.667     219.895     679.562   8.14 0.143 0.333 0.152 0.208    4170.333     300.000      10.494    6 
-    270000        2699.97     435.090     244.509     679.599   5.52 0.000 1.000 0.273 0.185    3947.363     300.000       9.285    6 
-    280000        2799.97     432.167     247.186     679.354   9.97 0.000   NaN   NaN 0.493    3920.847     300.000      12.399    6 
-    290000        2899.97     445.187     235.874     681.061   7.20 0.143 0.800 0.232 0.321    4038.967     300.000       6.883    6 
-    300000        2999.97     479.878     189.722     669.600  10.01 0.000 1.000 0.159 0.273    4353.697     300.000      13.130    6 
-    310000        3099.97     462.965     206.689     669.654   7.96 0.000 1.000 0.136 0.220    4200.258     300.000      10.096    6 
-    320000        3199.96     454.575     215.369     669.945   8.15 0.071 0.000 0.182 0.413    4124.141     300.000      11.983    6 
-    330000        3299.95     391.682     284.819     676.502   6.37 0.000 1.000 0.136 0.242    3553.545     300.000      11.251    6 
-    340000        3399.95     397.124     278.756     675.880   8.04 0.214 0.500 0.197 0.164    3602.917     300.000      10.808    6 
-    350000        3499.94     514.279     152.962     667.241   6.95 0.071 0.750 0.205 0.481    4665.804     300.000      10.269    6 
-    360000        3599.94     454.394     212.859     667.253   5.50 0.000 1.000 0.136 0.204    4122.500     300.000       8.515    6 
-    370000        3699.94     449.437     217.223     666.660   6.90 0.071 0.857 0.182 0.429    4077.526     300.000       8.916    6 
-    380000        3799.94     500.034     166.329     666.364   8.31 0.000 1.000 0.136 0.308    4536.567     300.000      11.271    6 
-    390000        3899.94     384.843     281.663     666.506   5.75 0.071 0.667 0.182 0.122    3491.494     300.000       8.833    6 
-    400000        3999.94     427.402     238.971     666.373   7.99 0.071 0.500 0.205 0.591    3877.614     300.000      11.464    6 
-    410000        4099.94     467.279     199.205     666.484   6.68 0.071 0.875 0.295 0.197    4239.393     300.000       8.030    6 
-    420000        4199.94     446.571     220.449     667.020   8.23 0.000 1.000 0.227 0.211    4051.520     300.000      12.287    6 
-    430000        4299.93     457.399     211.088     668.487   5.55 0.071 0.667 0.303 0.184    4149.763     300.000       8.073    6 
-    440000        4399.93     519.220     148.249     667.469   8.89 0.000   NaN   NaN 0.169    4710.634     300.000      12.442    6 
-    450000        4499.93     425.478     243.153     668.631   6.05 0.000   NaN   NaN 0.217    3860.154     300.000      10.086    6 
-    460000        4599.93     431.223     237.201     668.423   8.95 0.071 0.500 0.159 0.196    3912.275     300.000      12.375    6 
-    470000        4699.93     426.328     242.401     668.729   5.38 0.000   NaN   NaN 0.387    3867.869     300.000       8.443    6 
-    480000        4799.93     449.689     219.419     669.108  11.21 0.071 0.500 0.136 0.306    4079.807     300.000      14.418    6 
-    490000        4899.92     430.214     238.670     668.885   7.09 0.071 0.750 0.148 0.224    3903.128     300.000       9.371    6 
-    500000        4999.92     403.159     265.520     668.679   8.60 0.000   NaN   NaN 0.245    3657.667     300.000      12.030    6 
-    510000        5099.92     454.443     214.255     668.698   8.79 0.000   NaN   NaN 0.267    4122.943     300.000      12.185    6 
-    520000        5199.92     496.156     171.469     667.625   5.61 0.000   NaN   NaN 0.405    4501.383     300.000       9.879    6 
-    530000        5299.91     417.440     252.823     670.263   6.63 0.000   NaN   NaN 0.198    3787.231     300.000      11.027    6 
-    540000        5399.91     446.117     224.010     670.127   5.51 0.000   NaN   NaN 0.185    4047.403     300.000      10.176    6 
-    550000        5499.91     433.480     236.465     669.944   7.93 0.000 1.000 0.136 0.322    3932.751     300.000      10.816    6 
-    560000        5599.91     411.669     258.303     669.972   6.66 0.071 0.000 0.136 0.163    3734.874     300.000      10.727    6 
-    570000        5699.91     462.832     207.185     670.017   7.53 0.143 0.333 0.152 0.182    4199.048     300.000       9.101    6 
-    580000        5799.88     400.926     261.262     662.188  11.46 0.000   NaN   NaN 0.166    3637.411     300.000      14.245    6 
-    590000        5899.88     396.047     266.150     662.197   6.80 0.071 0.000 0.182 0.213    3593.141     300.000       8.339    6 
-    600000        5999.88     407.415     254.231     661.645   5.51 0.000   NaN   NaN 0.224    3696.279     300.000      10.045    6 
-    610000        6099.88     440.273     218.586     658.859   8.87 0.143 0.500 0.159 0.194    3994.382     300.000      11.377    6 
-    620000        6199.88     396.951     261.618     658.570   8.74 0.000 1.000 0.182 0.222    3601.349     300.000      11.935    6 
-    630000        6299.88     390.307     269.059     659.366   7.59 0.000 1.000 0.136 0.330    3541.063     300.000      11.456    6 
-    640000        6399.88     398.175     260.593     658.768   9.32 0.000 1.000 0.182 0.134    3612.446     300.000      11.603    6 
-    650000        6499.88     471.011     188.501     659.513   5.48 0.143 0.333 0.212 0.268    4273.256     300.000       9.691    6 
-    660000        6599.88     376.096     283.782     659.878   6.70 0.071 0.750 0.239 0.241    3412.133     300.000      10.035    6 
-    670000        6699.88     349.186     310.820     660.007   6.45 0.071 0.000 0.136 0.427    3167.998     300.000      10.233    6 
-    680000        6799.88     366.465     293.591     660.056   5.81 0.071 0.500 0.159 0.216    3324.764     300.000      10.175    6 
-    690000        6899.88     389.699     270.053     659.752   9.26 0.000 1.000 0.136 0.189    3535.548     300.000      12.452    6 
-    700000        6999.88     427.273     232.319     659.592   7.31 0.000 1.000 0.227 0.339    3876.438     300.000       9.658    6 
-    710000        7099.88     397.153     262.655     659.808   7.00 0.000   NaN   NaN 0.372    3603.181     300.000      10.918    6 
-    720000        7199.88     419.828     240.486     660.314   8.73 0.000 1.000 0.227 0.263    3808.893     300.000      11.620    6 
-    730000        7299.87     431.436     229.523     660.959   8.63 0.000   NaN   NaN 0.490    3914.208     300.000      13.183    6 
-    740000        7399.87     437.938     222.954     660.892   7.43 0.000 1.000 0.288 0.088    3973.203     300.000      10.891    6 
-    750000        7499.87     389.111     270.880     659.991   7.06 0.071 0.500 0.182 0.205    3530.217     300.000       9.326    6 
-    760000        7599.87     478.449     181.986     660.436  11.59 0.000 1.000 0.136 0.344    4340.738     300.000      14.235    6 
-    770000        7699.87     397.322     263.153     660.475  10.88 0.071 0.000 0.136 0.302    3604.712     300.000      14.635    6 
-    780000        7799.87     463.430     196.828     660.259   7.32 0.000 1.000 0.159 0.460    4204.479     300.000      11.441    6 
-    790000        7899.87     453.444     206.457     659.901   8.67 0.000 1.000 0.136 0.251    4113.880     300.000      11.337    6 
-    800000        7999.87     444.667     215.576     660.243   9.84 0.000   NaN   NaN 0.210    4034.248     300.000      12.865    6 
-    810000        8099.86     440.993     215.415     656.409   5.93 0.000   NaN   NaN 0.493    4000.921     300.000      11.101    6 
-    820000        8199.86     414.582     241.117     655.698   6.84 0.000 1.000 0.273 0.286    3761.298     300.000      10.599    6 
-    830000        8299.86     388.245     267.138     655.383  11.60 0.000   NaN   NaN 0.213    3522.357     300.000      15.465    6 
-    840000        8399.86     443.040     212.511     655.551   7.61 0.143 0.714 0.279 0.245    4019.486     300.000       8.374    6 
-    850000        8499.86     414.273     241.429     655.702   8.41 0.000 1.000 0.136 0.194    3758.502     300.000      12.802    6 
-    860000        8599.86     361.451     294.216     655.668   8.45 0.000   NaN   NaN 0.285    3279.274     300.000      11.574    6 
-    870000        8699.86     414.684     243.121     657.806   7.70 0.000 1.000 0.182 0.357    3762.229     300.000      11.346    6 
-    880000        8799.86     466.512     191.502     658.014  11.63 0.071 0.500 0.159 0.255    4232.439     300.000      14.817    6 
-    890000        8899.86     427.776     230.163     657.939   7.33 0.000 1.000 0.386 0.313    3881.006     300.000      10.507    6 
-    900000        8999.86     433.185     224.553     657.738   5.54 0.071 0.500 0.227 0.182    3930.076     300.000       8.823    6 
-    910000        9099.86     417.565     238.969     656.534  10.21 0.000 1.000 0.136 0.282    3788.367     300.000      12.691    6 
-    920000        9199.86     447.884     208.562     656.447   7.16 0.071 0.000 0.227 0.152    4063.439     300.000       9.636    6 
-    930000        9299.86     428.081     227.895     655.976   8.39 0.000 1.000 0.136 0.256    3883.770     300.000      12.278    6 
-    940000        9399.86     442.103     214.537     656.640   8.58 0.143 0.500 0.182 0.229    4010.983     300.000      10.275    6 
-    950000        9499.86     400.257     256.345     656.601   8.64 0.000   NaN   NaN 0.335    3631.337     300.000      12.223    6 
-    960000        9599.86     414.013     242.127     656.140   6.36 0.000 1.000 0.545 0.176    3756.139     300.000       8.750    6 
-    970000        9699.86     379.189     279.971     659.160   9.65 0.143 0.600 0.164 0.160    3440.198     300.000      12.099    6 
-    980000        9799.86     461.908     196.908     658.816   8.03 0.143 0.333 0.182 0.143    4190.667     300.000      11.325    6 
-    990000        9899.86     423.927     235.439     659.366   8.63 0.071 0.500 0.136 0.213    3846.082     300.000      11.674    6 
-   1000000        9999.86     410.876     248.595     659.471   7.69 0.000 1.000 0.136 0.316    3727.678     300.000      11.575    6 
+         0           0.00      34.714     -51.451     -16.737   2.26 0.786 0.476 0.357 0.199     314.941     300.000       6.690    6 
+     10000         100.00      24.178     -40.915     -16.737   1.64 0.571 0.333 0.307 0.051     219.356     300.000       6.819    6 
+     20000         200.00      28.508     -45.245     -16.737   1.87 0.571 0.429 0.325 0.069     258.640     300.000       6.828    6 
+     30000         300.00      32.492     -49.229     -16.737   2.44 0.500 0.500 0.295 0.081     294.783     300.000       6.555    6 
+     40000         400.00      27.724     -44.461     -16.737   3.21 0.571 0.529 0.265 0.116     251.528     300.000       6.779    6 
+     50000         500.00      27.663     -44.400     -16.736   2.40 0.571 0.467 0.309 0.028     250.976     300.000       6.712    6 
+     60000         600.00      29.560     -46.297     -16.737   2.15 0.571 0.467 0.300 0.059     268.183     300.000       6.656    6 
+     70000         700.00      29.371     -46.110     -16.738   2.28 0.500 0.562 0.327 0.117     266.471     300.000       6.850    6 
+     80000         800.00      31.997     -48.734     -16.737   2.18 0.357 0.615 0.241 0.052     290.294     300.000       6.843    6 
+     90000         900.00      25.653     -42.390     -16.737   2.40 0.357 0.583 0.254 0.067     232.736     300.000       6.865    6 
+    100000        1000.00      28.125     -44.863     -16.738   2.35 0.429 0.400 0.264 0.096     255.162     300.000       7.375    6 
+    110000        1100.00      30.128     -46.866     -16.738   3.44 0.357 0.706 0.332 0.067     273.338     300.000       6.357    6 
+    120000        1200.00      27.711     -44.448     -16.738   3.66 0.357 0.722 0.369 0.042     251.407     300.000       6.252    6 
+    130000        1300.00      30.873     -47.610     -16.737   2.87 0.500 0.533 0.303 0.081     280.094     300.000       6.702    6 
+    140000        1400.00      33.103     -49.841     -16.738   3.35 0.357 0.643 0.315 0.065     300.330     300.000       6.633    6 
+    150000        1500.00      34.182     -50.920     -16.739   3.72 0.286 0.714 0.289 0.063     310.114     300.000       6.732    6 
+    160000        1600.00      30.137     -46.875     -16.737   3.28 0.429 0.571 0.341 0.055     273.422     300.000       6.986    6 
+    170000        1700.00      21.422     -38.158     -16.735   4.32 0.214 0.800 0.421 0.051     194.354     300.000       6.390    6 
+    180000        1800.00      23.412     -40.151     -16.738   2.91 0.286 0.556 0.389 0.056     212.410     300.000       6.795    6 
+    190000        1900.00      27.360     -44.098     -16.738   3.99 0.429 0.538 0.353 0.049     248.223     300.000       6.819    6 
+    200000        2000.00      29.999     -46.735     -16.737   4.15 0.286 0.667 0.364 0.074     272.164     300.000       6.849    6 
+    210000        2100.00      24.115     -40.852     -16.737   4.10 0.357 0.615 0.472 0.083     218.784     300.000       6.759    6 
+    220000        2200.00      31.137     -47.874     -16.738   3.98 0.357 0.706 0.388 0.079     282.489     300.000       6.514    6 
+    230000        2300.00      23.420     -40.156     -16.736   4.01 0.357 0.615 0.332 0.092     212.479     300.000       6.676    6 
+    240000        2400.00      29.911     -46.648     -16.738   3.52 0.357 0.643 0.373 0.049     271.364     300.000       6.479    6 
+    250000        2500.00      31.099     -47.835     -16.737   4.22 0.286 0.636 0.376 0.061     282.142     300.000       6.727    6 
+    260000        2600.00      31.472     -48.211     -16.739   3.55 0.429 0.571 0.334 0.073     285.533     300.000       6.552    6 
+    270000        2700.00      28.341     -45.077     -16.737   3.77 0.357 0.667 0.333 0.073     257.122     300.000       6.724    6 
+    280000        2800.00      26.371     -43.108     -16.737   4.48 0.214 0.667 0.303 0.070     239.248     300.000       6.715    6 
+    290000        2900.00      31.367     -48.103     -16.736   3.47 0.429 0.538 0.346 0.081     284.580     300.000       6.801    6 
+    300000        3000.00      26.586     -43.323     -16.737   3.68 0.357 0.615 0.427 0.079     241.198     300.000       6.381    6 
+    310000        3100.00      34.959     -51.697     -16.739   3.81 0.286 0.765 0.385 0.054     317.163     300.000       6.259    6 
+    320000        3200.00      28.366     -45.104     -16.737   3.38 0.571 0.556 0.321 0.106     257.355     300.000       6.418    6 
+    330000        3300.00      28.244     -44.981     -16.736   3.43 0.429 0.500 0.348 0.068     256.245     300.000       6.589    6 
+    340000        3400.00      32.641     -49.378     -16.737   3.61 0.357 0.643 0.338 0.030     296.139     300.000       6.389    6 
+    350000        3500.00      27.345     -44.081     -16.735   3.28 0.500 0.533 0.330 0.029     248.092     300.000       6.557    6 
+    360000        3600.00      30.198     -46.936     -16.738   3.55 0.214 0.571 0.370 0.061     273.976     300.000       6.795    6 
+    370000        3700.00      30.364     -47.101     -16.738   3.16 0.500 0.650 0.368 0.052     275.476     300.000       6.688    6 
+    380000        3800.00      24.560     -41.296     -16.736   3.53 0.143 0.778 0.384 0.029     222.823     300.000       6.907    6 
+    390000        3900.00      27.903     -44.640     -16.737   3.05 0.286 0.714 0.344 0.044     253.149     300.000       6.428    6 
+    400000        4000.00      28.968     -45.706     -16.738   2.90 0.357 0.615 0.294 0.069     262.811     300.000       6.666    6 
+    410000        4100.00      33.515     -50.254     -16.740   3.08 0.500 0.533 0.385 0.081     304.062     300.000       6.708    6 
+    420000        4200.00      26.150     -42.889     -16.738   3.53 0.286 0.600 0.373 0.076     237.250     300.000       7.034    6 
+    430000        4300.00      26.792     -43.530     -16.738   4.73 0.214 0.667 0.424 0.052     243.072     300.000       6.775    6 
+    440000        4400.00      31.835     -48.573     -16.738   3.12 0.286 0.667 0.341 0.081     288.822     300.000       7.158    6 
+    450000        4500.00      28.634     -45.372     -16.738   3.48 0.286 0.714 0.318 0.034     259.785     300.000       6.840    6 
+    460000        4600.00      27.820     -44.557     -16.737   3.33 0.357 0.643 0.373 0.061     252.397     300.000       6.744    6 
+    470000        4700.00      28.706     -45.444     -16.738   3.24 0.286 0.636 0.314 0.040     260.438     300.000       6.737    6 
+    480000        4800.00      27.537     -44.274     -16.737   3.15 0.214 0.769 0.343 0.076     249.834     300.000       6.982    6 
+    490000        4900.00      22.053     -38.790     -16.737   3.72 0.214 0.727 0.298 0.036     200.077     300.000       7.118    6 
+    500000        5000.00      26.365     -43.103     -16.738   3.14 0.429 0.647 0.321 0.052     239.199     300.000       6.864    6 
+    510000        5100.00      30.070     -46.808     -16.738   3.49 0.214 0.667 0.293 0.051     272.811     300.000       6.735    6 
+    520000        5200.00      33.193     -49.931     -16.738   3.17 0.500 0.562 0.290 0.066     301.145     300.000       6.766    6 
+    530000        5300.00      31.657     -48.396     -16.739   2.95 0.286 0.600 0.355 0.091     287.208     300.000       7.101    6 
+    540000        5400.00      29.169     -45.905     -16.737   3.35 0.214 0.850 0.395 0.064     264.633     300.000       6.491    6 
+    550000        5500.00      32.557     -49.296     -16.739   3.61 0.214 0.750 0.330 0.119     295.372     300.000       6.742    6 
+    560000        5600.00      27.715     -44.452     -16.737   3.36 0.286 0.692 0.332 0.093     251.443     300.000       6.523    6 
+    570000        5700.00      30.399     -47.138     -16.739   3.32 0.286 0.692 0.283 0.074     275.792     300.000       6.765    6 
+    580000        5800.00      24.584     -41.321     -16.737   3.03 0.214 0.750 0.367 0.040     223.035     300.000       7.033    6 
+    590000        5900.00      28.789     -45.528     -16.738   2.96 0.286 0.667 0.364 0.043     261.192     300.000       6.979    6 
+    600000        6000.00      26.191     -42.928     -16.737   3.18 0.214 0.700 0.414 0.050     237.622     300.000       6.700    6 
+    610000        6100.00      28.074     -44.812     -16.737   2.95 0.286 0.667 0.405 0.073     254.703     300.000       6.749    6 
+    620000        6200.00      26.329     -43.064     -16.736   2.92 0.357 0.545 0.351 0.037     238.866     300.000       6.887    6 
+    630000        6300.00      29.368     -46.107     -16.739   2.83 0.429 0.400 0.359 0.075     266.443     300.000       6.904    6 
+    640000        6400.00      27.457     -44.195     -16.738   3.51 0.357 0.706 0.476 0.056     249.103     300.000       6.536    6 
+    650000        6500.00      29.035     -45.771     -16.737   3.62 0.143 0.750 0.295 0.094     263.417     300.000       7.055    6 
+    660000        6600.00      31.084     -47.821     -16.737   3.17 0.286 0.636 0.360 0.090     282.012     300.000       7.043    6 
+    670000        6700.00      25.918     -42.656     -16.737   3.21 0.500 0.500 0.289 0.153     235.145     300.000       7.005    6 
+    680000        6800.00      30.731     -47.470     -16.739   3.60 0.429 0.625 0.335 0.090     278.807     300.000       6.818    6 
+    690000        6900.00      25.636     -42.373     -16.738   3.48 0.357 0.706 0.374 0.061     232.581     300.000       6.482    6 
+    700000        7000.00      29.436     -46.176     -16.740   3.21 0.500 0.533 0.339 0.192     267.057     300.000       6.475    6 
+    710000        7100.00      32.639     -49.380     -16.741   4.29 0.214 0.769 0.329 0.126     296.122     300.000       6.721    6 
+    720000        7200.00      28.201     -44.938     -16.738   3.84 0.357 0.643 0.344 0.065     255.851     300.000       6.705    6 
+    730000        7300.00      28.612     -45.348     -16.736   4.04 0.214 0.800 0.418 0.056     259.585     300.000       6.587    6 
+    740000        7400.00      29.779     -46.518     -16.739   3.61 0.357 0.643 0.409 0.048     270.168     300.000       6.648    6 
+    750000        7500.00      30.602     -47.339     -16.737   4.37 0.286 0.667 0.455 0.056     277.634     300.000       6.541    6 
+    760000        7600.00      31.315     -48.053     -16.737   3.88 0.429 0.700 0.434 0.072     284.109     300.000       6.172    6 
+    770000        7700.00      35.839     -52.578     -16.738   4.24 0.357 0.750 0.439 0.069     325.152     300.000       6.025    6 
+    780000        7800.00      29.565     -46.304     -16.739   4.37 0.571 0.704 0.387 0.072     268.229     300.000       6.211    6 
+    790000        7900.00      31.682     -48.420     -16.738   4.59 0.286 0.789 0.471 0.044     287.434     300.000       6.249    6 
+    800000        8000.00      25.969     -42.707     -16.739   2.82 0.357 0.688 0.287 0.042     235.603     300.000       6.559    6 
+    810000        8100.00      26.604     -43.342     -16.738   2.70 0.429 0.571 0.351 0.072     241.368     300.000       6.687    6 
+    820000        8200.00      30.488     -47.225     -16.737   3.94 0.357 0.737 0.447 0.085     276.607     300.000       6.314    6 
+    830000        8300.00      24.785     -41.523     -16.737   4.15 0.286 0.733 0.482 0.032     224.866     300.000       6.409    6 
+    840000        8400.00      27.641     -44.380     -16.738   3.54 0.429 0.571 0.396 0.044     250.774     300.000       6.520    6 
+    850000        8500.00      28.273     -45.011     -16.737   3.29 0.500 0.533 0.391 0.078     256.512     300.000       6.660    6 
+    860000        8600.00      33.358     -50.096     -16.738   4.18 0.429 0.625 0.409 0.116     302.641     300.000       6.331    6 
+    870000        8700.00      26.103     -42.840     -16.737   4.05 0.357 0.545 0.409 0.080     236.821     300.000       6.655    6 
+    880000        8800.00      28.364     -45.100     -16.737   4.12 0.214 0.786 0.399 0.050     257.330     300.000       6.402    6 
+    890000        8900.00      24.165     -40.902     -16.737   4.22 0.214 0.750 0.504 0.082     219.242     300.000       6.639    6 
+    900000        9000.00      27.427     -44.166     -16.740   4.36 0.214 0.667 0.283 0.089     248.829     300.000       6.880    6 
+    910000        9100.00      30.504     -47.243     -16.739   4.07 0.286 0.714 0.331 0.071     276.751     300.000       6.489    6 
+    920000        9200.00      31.437     -48.177     -16.740   3.83 0.357 0.643 0.396 0.120     285.209     300.000       6.819    6 
+    930000        9300.00      28.071     -44.809     -16.738   4.43 0.214 0.786 0.370 0.098     254.673     300.000       6.544    6 
+    940000        9400.00      26.712     -43.450     -16.737   4.27 0.286 0.636 0.306 0.067     242.349     300.000       6.881    6 
+    950000        9500.00      31.097     -47.835     -16.738   3.96 0.286 0.714 0.357 0.088     282.129     300.000       6.768    6 
+    960000        9600.00      24.989     -41.727     -16.739   4.57 0.286 0.765 0.382 0.047     226.709     300.000       6.443    6 
+    970000        9700.00      26.518     -43.255     -16.737   3.73 0.286 0.556 0.263 0.046     240.587     300.000       7.305    6 
+    980000        9800.00      28.178     -44.915     -16.737   4.59 0.214 0.786 0.305 0.057     255.645     300.000       6.968    6 
+    990000        9900.00      31.699     -48.436     -16.737   3.73 0.357 0.722 0.376 0.054     287.592     300.000       6.729    6 
+   1000000       10000.00      29.792     -46.531     -16.738   3.10 0.286 0.600 0.264 0.049     270.293     300.000       6.685    6 
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB007.stat b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB007.stat
index 8cdb2bd..ab43b22 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB007.stat
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_GB007.stat
@@ -1,101 +1,101 @@
-         0           0.00      36.440     662.810     699.250   0.00 1.000 0.000 0.308 8.660     330.602     300.000       7.001    7 
-     10000         100.00     404.792     294.358     699.150   6.87 0.071 0.000 0.136 0.253    3672.486     300.000      10.368    7 
-     20000         199.99     378.692     320.837     699.530   8.81 0.000 1.000 0.136 0.588    3435.691     300.000      12.075    7 
-     30000         299.99     460.294     238.341     698.636   6.10 0.000 1.000 0.273 0.222    4176.029     300.000       8.608    7 
-     40000         399.99     493.635     205.256     698.891   5.10 0.000   NaN   NaN 0.462    4478.509     300.000       9.524    7 
-     50000         499.99     408.885     289.323     698.208  10.06 0.000 1.000 0.136 0.301    3709.617     300.000      14.467    7 
-     60000         599.99     421.710     277.940     699.650   4.55 0.071 0.500 0.136 0.152    3825.973     300.000       9.523    7 
-     70000         699.98     480.663     218.244     698.907  11.37 0.000 1.000 0.136 0.218    4360.824     300.000      14.359    7 
-     80000         799.98     435.233     262.972     698.205   5.64 0.000 1.000 0.253 0.392    3948.654     300.000       8.981    7 
-     90000         899.98     528.654     169.433     698.087   5.35 0.000 1.000 0.159 0.255    4796.225     300.000       9.237    7 
-    100000         999.98     477.466     220.577     698.042   7.67 0.071 0.000 0.136 0.247    4331.816     300.000      11.751    7 
-    110000        1099.98     459.290     238.882     698.173   6.64 0.071 0.500 0.159 0.202    4166.921     300.000       8.677    7 
-    120000        1199.98     504.798     193.503     698.301   9.58 0.000   NaN   NaN 0.217    4579.791     300.000      13.196    7 
-    130000        1299.98     510.340     187.771     698.111   5.57 0.000 1.000 0.136 0.244    4630.067     300.000       9.192    7 
-    140000        1399.98     419.018     279.349     698.367   8.29 0.071 0.500 0.136 0.309    3801.544     300.000      10.943    7 
-    150000        1499.98     477.269     221.078     698.347   5.51 0.071 0.667 0.152 0.275    4330.032     300.000       9.356    7 
-    160000        1599.98     463.334     235.184     698.518   8.50 0.071 0.667 0.152 0.229    4203.603     300.000      10.561    7 
-    170000        1699.98     438.849     259.842     698.691   6.97 0.000 1.000 0.152 0.266    3981.468     300.000      11.073    7 
-    180000        1799.98     496.232     199.397     695.628   7.55 0.000   NaN   NaN 0.093    4502.070     300.000      11.315    7 
-    190000        1899.98     418.365     277.531     695.896   8.26 0.000   NaN   NaN 0.470    3795.623     300.000      11.970    7 
-    200000        1999.98     473.883     221.913     695.796   6.62 0.000 1.000 0.136 0.193    4299.308     300.000       9.563    7 
-    210000        2099.98     422.578     269.796     692.374  11.47 0.000   NaN   NaN 0.166    3833.849     300.000      14.988    7 
-    220000        2199.97     489.678     209.434     699.112   6.79 0.000 1.000 0.227 0.223    4442.608     300.000      10.311    7 
-    230000        2299.97     523.531     175.791     699.322   5.83 0.071 0.000 0.136 0.490    4749.742     300.000      10.636    7 
-    240000        2399.97     417.857     282.132     699.989   6.58 0.000 1.000 0.136 0.385    3791.015     300.000       9.432    7 
-    250000        2499.96     457.270     251.239     708.509   6.82 0.000   NaN   NaN 0.209    4148.590     300.000      11.328    7 
-    260000        2599.96     442.997     265.363     708.360   8.38 0.000 1.000 0.318 0.445    4019.099     300.000      10.866    7 
-    270000        2699.96     409.230     299.873     709.103   5.56 0.071 0.500 0.136 0.340    3712.750     300.000       9.490    7 
-    280000        2799.96     482.144     226.934     709.078   7.26 0.000   NaN   NaN 0.235    4374.258     300.000      12.394    7 
-    290000        2899.96     473.044     236.025     709.069   5.49 0.000   NaN   NaN 0.308    4291.697     300.000       9.481    7 
-    300000        2999.96     498.622     208.213     706.835   8.47 0.071 0.750 0.170 0.232    4523.757     300.000      11.761    7 
-    310000        3099.95     504.249     202.610     706.859   7.37 0.000 1.000 0.136 0.282    4574.811     300.000      11.968    7 
-    320000        3199.95     461.072     245.246     706.318   5.60 0.143 0.500 0.432 0.286    4183.087     300.000       7.347    7 
-    330000        3299.95     478.994     228.272     707.266   8.34 0.000 1.000 0.136 0.131    4345.678     300.000      12.661    7 
-    340000        3399.95     482.737     225.848     708.585   6.08 0.000   NaN   NaN 0.333    4379.639     300.000      10.263    7 
-    350000        3499.94     426.813     282.539     709.352   7.16 0.000 1.000 0.182 0.146    3872.269     300.000      11.910    7 
-    360000        3599.93     413.194     296.305     709.498   7.80 0.000 1.000 0.273 0.195    3748.705     300.000       9.376    7 
-    370000        3699.93     547.236     162.601     709.837   8.06 0.000 1.000 0.216 0.267    4964.808     300.000      10.483    7 
-    380000        3799.93     506.307     203.453     709.761   5.34 0.000   NaN   NaN 0.524    4593.482     300.000      10.061    7 
-    390000        3899.93     411.761     298.023     709.783   9.08 0.000   NaN   NaN 0.258    3735.705     300.000      12.390    7 
-    400000        3999.93     457.578     252.594     710.172   9.57 0.000 1.000 0.182 0.281    4151.384     300.000      13.710    7 
-    410000        4099.93     413.630     295.361     708.991   7.17 0.000 1.000 0.182 0.483    3752.664     300.000       9.765    7 
-    420000        4199.93     472.174     236.270     708.443   6.92 0.000 1.000 0.182 0.162    4283.802     300.000      11.025    7 
-    430000        4299.93     498.073     210.424     708.497   7.48 0.071 0.000 0.136 0.328    4518.775     300.000      10.742    7 
-    440000        4399.92     492.324     214.900     707.225   5.95 0.000   NaN   NaN 0.379    4466.619     300.000      10.893    7 
-    450000        4499.92     461.587     246.181     707.769   6.91 0.000 1.000 0.182 0.260    4187.760     300.000      10.736    7 
-    460000        4599.92     454.295     252.627     706.922   6.94 0.000 1.000 0.227 0.256    4121.595     300.000       9.073    7 
-    470000        4699.92     475.959     230.681     706.640   9.82 0.000 1.000 0.136 0.195    4318.148     300.000      13.598    7 
-    480000        4799.92     442.578     263.963     706.541   8.06 0.000   NaN   NaN 0.219    4015.294     300.000      12.589    7 
-    490000        4899.92     525.198     181.577     706.775   4.08 0.000 1.000 0.136 0.242    4764.866     300.000       9.524    7 
-    500000        4999.92     484.375     224.454     708.829   6.54 0.000   NaN   NaN 0.199    4394.504     300.000      10.890    7 
-    510000        5099.92     438.694     269.623     708.318   6.30 0.000 1.000 0.182 0.228    3980.061     300.000       9.442    7 
-    520000        5199.92     471.822     236.161     707.984   6.01 0.000   NaN   NaN 0.191    4280.615     300.000       9.983    7 
-    530000        5299.90     433.630     275.918     709.549   7.41 0.000 1.000 0.239 0.168    3934.119     300.000       9.812    7 
-    540000        5399.90     411.731     298.860     710.592   8.13 0.000 1.000 0.182 0.258    3735.438     300.000      12.060    7 
-    550000        5499.90     440.955     269.982     710.936   7.39 0.000 1.000 0.145 0.262    4000.569     300.000       9.255    7 
-    560000        5599.90     465.376     245.695     711.071   6.47 0.071 0.800 0.209 0.306    4222.134     300.000       8.619    7 
-    570000        5699.90     429.539     281.631     711.170   7.50 0.000 1.000 0.136 0.240    3897.000     300.000       9.877    7 
-    580000        5799.90     453.582     257.717     711.299   4.33 0.000 1.000 0.182 0.153    4115.128     300.000       8.748    7 
-    590000        5899.90     517.001     193.973     710.974   8.73 0.000 1.000 0.136 0.246    4690.500     300.000      12.691    7 
-    600000        5999.90     486.851     223.600     710.450   8.55 0.000 1.000 0.148 0.173    4416.963     300.000      11.014    7 
-    610000        6099.89     462.444     244.887     707.332   6.85 0.071 0.000 0.136 0.482    4195.535     300.000      10.642    7 
-    620000        6199.88     446.312     260.972     707.284   8.47 0.143 0.600 0.155 0.294    4049.173     300.000      11.552    7 
-    630000        6299.87     500.082     206.493     706.575   8.78 0.000   NaN   NaN 0.316    4537.003     300.000      11.476    7 
-    640000        6399.87     440.924     265.813     706.737   8.26 0.000   NaN   NaN 0.253    4000.289     300.000      12.145    7 
-    650000        6499.85     466.069     239.937     706.006   6.20 0.000 1.000 0.258 0.257    4228.419     300.000       8.601    7 
-    660000        6599.84     494.266     210.516     704.782   6.97 0.000   NaN   NaN 0.172    4484.240     300.000      10.351    7 
-    670000        6699.83     483.228     229.147     712.375   6.60 0.000 1.000 0.227 0.232    4384.094     300.000       9.650    7 
-    680000        6799.83     478.112     234.010     712.122   6.04 0.000 1.000 0.136 0.322    4337.676     300.000       8.249    7 
-    690000        6899.83     454.575     257.282     711.857   7.44 0.071 0.500 0.205 0.320    4124.135     300.000       9.829    7 
-    700000        6999.83     510.090     205.089     715.179   5.91 0.000 1.000 0.136 0.335    4627.799     300.000       9.549    7 
-    710000        7099.83     471.116     243.928     715.044   5.58 0.000 1.000 0.182 0.161    4274.210     300.000       9.222    7 
-    720000        7199.83     464.083     251.154     715.237   9.06 0.000   NaN   NaN 0.159    4210.398     300.000      12.784    7 
-    730000        7299.82     444.697     270.798     715.495   6.39 0.000 1.000 0.212 0.289    4034.525     300.000       8.373    7 
-    740000        7399.82     455.792     260.149     715.941   7.32 0.000 1.000 0.182 0.169    4135.178     300.000      11.275    7 
-    750000        7499.82     469.049     246.494     715.542   4.79 0.000 1.000 0.173 0.483    4255.453     300.000       8.755    7 
-    760000        7599.82     440.706     269.476     710.182   5.71 0.071 0.000 0.182 0.220    3998.312     300.000      10.480    7 
-    770000        7699.82     486.846     223.272     710.118   4.81 0.000 1.000 0.379 0.322    4416.918     300.000       8.306    7 
-    780000        7799.82     458.682     253.058     711.739  11.03 0.000   NaN   NaN 0.218    4161.396     300.000      14.480    7 
-    790000        7899.82     439.159     272.321     711.480   4.59 0.071 0.750 0.330 0.369    3984.276     300.000       7.774    7 
-    800000        7999.82     453.246     258.205     711.452   9.43 0.000   NaN   NaN 0.311    4112.086     300.000      12.406    7 
-    810000        8099.80     521.981     193.334     715.315   7.23 0.071 0.750 0.148 0.356    4735.679     300.000      10.180    7 
-    820000        8199.79     449.506     266.010     715.516   6.92 0.000 1.000 0.182 0.188    4078.149     300.000      10.371    7 
-    830000        8299.79     452.283     263.169     715.452   8.78 0.000   NaN   NaN 0.304    4103.349     300.000      12.322    7 
-    840000        8399.79     446.420     268.899     715.318   5.76 0.000   NaN   NaN 0.337    4050.149     300.000      10.091    7 
-    850000        8499.79     488.066     227.044     715.110   6.77 0.071 0.750 0.136 0.237    4427.987     300.000       9.161    7 
-    860000        8599.79     440.773     274.551     715.324  10.72 0.000 1.000 0.136 0.605    3998.920     300.000      14.109    7 
-    870000        8699.79     522.221     194.807     717.027   6.62 0.071 0.667 0.242 0.370    4737.857     300.000       9.327    7 
-    880000        8799.79     551.317     165.500     716.817   7.92 0.000   NaN   NaN 0.263    5001.834     300.000      12.758    7 
-    890000        8899.79     415.494     302.484     717.977   4.70 0.000   NaN   NaN 0.331    3769.575     300.000       9.245    7 
-    900000        8999.79     461.366     256.443     717.809   7.79 0.000   NaN   NaN 0.408    4185.749     300.000      11.913    7 
-    910000        9099.79     504.958     212.835     717.793   5.65 0.071 0.000 0.136 0.318    4581.240     300.000       9.934    7 
-    920000        9199.79     455.930     262.486     718.415   6.98 0.000 1.000 0.136 0.253    4136.428     300.000      11.812    7 
-    930000        9299.79     485.781     232.434     718.215   8.15 0.000   NaN   NaN 0.404    4407.254     300.000      12.521    7 
-    940000        9399.75     471.134     244.178     715.312   7.40 0.000 1.000 0.250 0.317    4274.368     300.000       9.784    7 
-    950000        9499.75     450.193     265.066     715.259   9.14 0.000 1.000 0.136 0.185    4084.385     300.000      11.973    7 
-    960000        9599.75     498.777     216.173     714.949  10.57 0.000   NaN   NaN 0.164    4525.159     300.000      14.669    7 
-    970000        9699.75     517.491     197.606     715.096   5.10 0.071 0.667 0.333 0.222    4694.943     300.000       8.681    7 
-    980000        9799.75     417.981     297.099     715.079  10.07 0.000 1.000 0.136 0.200    3792.136     300.000      13.693    7 
-    990000        9899.75     468.970     245.743     714.714   6.18 0.000 1.000 0.182 0.311    4254.741     300.000      10.431    7 
-   1000000        9999.75     519.691     194.867     714.559   8.51 0.143 0.500 0.148 0.198    4714.907     300.000      11.620    7 
+         0           0.00      38.789     -51.451     -12.661   2.26 0.786 0.476 0.357 0.199     351.916     300.000       6.690    7 
+     10000         100.00      31.064     -43.723     -12.659   1.63 0.500 0.562 0.310 0.096     281.824     300.000       6.683    7 
+     20000         200.00      33.617     -46.276     -12.660   2.51 0.500 0.364 0.339 0.073     304.987     300.000       6.894    7 
+     30000         300.00      30.730     -43.388     -12.658   2.64 0.357 0.583 0.246 0.125     278.798     300.000       6.986    7 
+     40000         400.00      28.416     -41.074     -12.659   2.97 0.286 0.714 0.318 0.037     257.802     300.000       6.400    7 
+     50000         500.00      24.498     -37.154     -12.657   2.44 0.357 0.583 0.341 0.061     222.256     300.000       6.703    7 
+     60000         600.00      28.358     -41.016     -12.658   1.75 0.429 0.500 0.311 0.053     257.278     300.000       6.634    7 
+     70000         700.00      30.757     -43.413     -12.656   2.46 0.357 0.667 0.358 0.038     279.046     300.000       6.502    7 
+     80000         800.00      31.061     -43.719     -12.658   2.24 0.500 0.611 0.333 0.102     281.804     300.000       6.466    7 
+     90000         900.00      29.641     -42.298     -12.657   1.89 0.286 0.600 0.341 0.041     268.917     300.000       6.891    7 
+    100000        1000.00      25.003     -37.659     -12.656   2.46 0.357 0.688 0.259 0.036     226.841     300.000       6.417    7 
+    110000        1100.00      28.539     -41.197     -12.658   2.22 0.429 0.538 0.287 0.081     258.921     300.000       6.744    7 
+    120000        1200.00      26.091     -38.747     -12.656   2.25 0.357 0.583 0.333 0.035     236.712     300.000       6.676    7 
+    130000        1300.00      27.988     -40.647     -12.658   1.71 0.357 0.583 0.231 0.034     253.925     300.000       6.899    7 
+    140000        1400.00      28.071     -40.729     -12.658   1.92 0.286 0.636 0.252 0.068     254.675     300.000       7.250    7 
+    150000        1500.00      27.462     -40.120     -12.658   2.98 0.357 0.500 0.291 0.092     249.149     300.000       7.523    7 
+    160000        1600.00      25.688     -38.346     -12.658   2.92 0.357 0.615 0.294 0.062     233.058     300.000       7.285    7 
+    170000        1700.00      28.934     -41.592     -12.658   2.74 0.214 0.727 0.335 0.085     262.504     300.000       7.173    7 
+    180000        1800.00      25.181     -37.840     -12.660   2.45 0.286 0.692 0.346 0.113     228.454     300.000       7.037    7 
+    190000        1900.00      32.885     -45.547     -12.661   2.95 0.500 0.562 0.335 0.071     298.353     300.000       7.284    7 
+    200000        2000.00      21.224     -33.880     -12.656   3.13 0.357 0.545 0.413 0.080     192.556     300.000       7.518    7 
+    210000        2100.00      35.784     -48.443     -12.659   2.54 0.429 0.500 0.356 0.060     324.649     300.000       7.293    7 
+    220000        2200.00      29.882     -42.542     -12.660   2.91 0.357 0.643 0.312 0.105     271.105     300.000       7.162    7 
+    230000        2300.00      30.019     -42.678     -12.658   2.91 0.429 0.500 0.383 0.083     272.351     300.000       7.452    7 
+    240000        2400.00      30.358     -43.014     -12.657   2.24 0.500 0.500 0.318 0.053     275.422     300.000       7.050    7 
+    250000        2500.00      30.705     -43.363     -12.658   2.31 0.214 0.667 0.328 0.055     278.576     300.000       6.937    7 
+    260000        2600.00      27.199     -39.856     -12.657   3.55 0.286 0.667 0.360 0.111     246.760     300.000       6.371    7 
+    270000        2700.00      30.678     -43.335     -12.657   3.20 0.286 0.714 0.377 0.083     278.329     300.000       6.552    7 
+    280000        2800.00      30.757     -43.415     -12.658   2.59 0.500 0.611 0.346 0.095     279.040     300.000       6.336    7 
+    290000        2900.00      27.837     -40.494     -12.657   2.38 0.429 0.538 0.266 0.111     252.551     300.000       6.676    7 
+    300000        3000.00      29.868     -42.525     -12.656   2.44 0.429 0.538 0.318 0.099     270.982     300.000       6.643    7 
+    310000        3100.00      35.080     -47.736     -12.655   3.40 0.357 0.688 0.358 0.049     318.267     300.000       6.316    7 
+    320000        3200.00      27.693     -40.351     -12.657   2.13 0.286 0.692 0.276 0.079     251.248     300.000       6.846    7 
+    330000        3300.00      29.200     -41.857     -12.657   2.19 0.500 0.562 0.341 0.051     264.917     300.000       6.522    7 
+    340000        3400.00      25.233     -37.889     -12.656   2.20 0.357 0.545 0.310 0.085     228.928     300.000       6.607    7 
+    350000        3500.00      30.398     -43.055     -12.658   1.86 0.357 0.643 0.299 0.077     275.782     300.000       6.868    7 
+    360000        3600.00      31.008     -43.665     -12.656   2.28 0.429 0.538 0.371 0.076     281.324     300.000       6.954    7 
+    370000        3700.00      25.830     -38.485     -12.655   2.28 0.357 0.444 0.273 0.066     234.344     300.000       7.112    7 
+    380000        3800.00      28.323     -40.978     -12.655   2.52 0.429 0.455 0.314 0.039     256.958     300.000       6.963    7 
+    390000        3900.00      24.758     -37.413     -12.655   1.96 0.500 0.462 0.259 0.062     224.613     300.000       7.019    7 
+    400000        4000.00      29.968     -42.625     -12.657   2.55 0.357 0.545 0.364 0.063     271.885     300.000       7.203    7 
+    410000        4100.00      23.171     -35.827     -12.656   2.17 0.357 0.500 0.295 0.041     210.219     300.000       7.069    7 
+    420000        4200.00      26.035     -38.693     -12.658   2.18 0.286 0.500 0.284 0.061     236.205     300.000       7.155    7 
+    430000        4300.00      26.446     -39.102     -12.657   2.50 0.500 0.417 0.345 0.071     239.928     300.000       6.926    7 
+    440000        4400.00      28.532     -41.188     -12.656   2.30 0.500 0.562 0.338 0.093     258.860     300.000       6.687    7 
+    450000        4500.00      32.725     -45.383     -12.657   2.38 0.357 0.545 0.360 0.039     296.901     300.000       7.125    7 
+    460000        4600.00      30.951     -43.607     -12.656   2.54 0.429 0.500 0.292 0.097     280.799     300.000       6.751    7 
+    470000        4700.00      27.040     -39.698     -12.657   2.73 0.357 0.667 0.336 0.072     245.325     300.000       6.650    7 
+    480000        4800.00      28.224     -40.881     -12.657   2.34 0.500 0.500 0.325 0.063     256.067     300.000       6.569    7 
+    490000        4900.00      29.251     -41.907     -12.657   2.93 0.357 0.500 0.350 0.071     265.376     300.000       6.721    7 
+    500000        5000.00      29.346     -42.002     -12.656   2.96 0.286 0.636 0.289 0.063     266.242     300.000       6.413    7 
+    510000        5100.00      30.887     -43.546     -12.659   1.52 0.500 0.500 0.351 0.154     280.224     300.000       6.823    7 
+    520000        5200.00      29.926     -42.583     -12.657   2.55 0.643 0.526 0.342 0.103     271.500     300.000       6.170    7 
+    530000        5300.00      27.403     -40.061     -12.658   2.13 0.429 0.400 0.282 0.081     248.611     300.000       6.902    7 
+    540000        5400.00      33.860     -46.516     -12.656   1.57 0.500 0.500 0.282 0.052     307.194     300.000       7.127    7 
+    550000        5500.00      29.596     -42.254     -12.658   1.93 0.429 0.400 0.232 0.073     268.506     300.000       7.054    7 
+    560000        5600.00      32.762     -45.418     -12.657   3.19 0.500 0.562 0.295 0.037     297.231     300.000       6.989    7 
+    570000        5700.00      29.996     -42.653     -12.657   2.79 0.357 0.643 0.218 0.082     272.139     300.000       7.189    7 
+    580000        5800.00      36.325     -48.981     -12.656   3.31 0.429 0.500 0.345 0.050     329.559     300.000       7.087    7 
+    590000        5900.00      35.305     -47.962     -12.657   2.92 0.429 0.400 0.245 0.087     320.301     300.000       7.144    7 
+    600000        6000.00      32.111     -44.768     -12.657   3.30 0.500 0.462 0.259 0.101     291.329     300.000       6.788    7 
+    610000        6100.00      29.217     -41.873     -12.657   2.78 0.357 0.583 0.254 0.050     265.067     300.000       7.038    7 
+    620000        6200.00      30.222     -42.878     -12.656   2.50 0.429 0.500 0.314 0.046     274.189     300.000       7.033    7 
+    630000        6300.00      34.210     -46.867     -12.657   3.11 0.429 0.600 0.406 0.085     310.369     300.000       6.610    7 
+    640000        6400.00      30.096     -42.752     -12.655   3.15 0.357 0.643 0.315 0.056     273.050     300.000       7.002    7 
+    650000        6500.00      30.990     -43.646     -12.656   4.20 0.357 0.722 0.467 0.077     281.157     300.000       6.445    7 
+    660000        6600.00      31.002     -43.660     -12.657   3.74 0.429 0.455 0.351 0.079     281.271     300.000       6.830    7 
+    670000        6700.00      27.181     -39.838     -12.657   3.35 0.214 0.667 0.258 0.030     246.601     300.000       7.066    7 
+    680000        6800.00      25.453     -38.108     -12.656   3.13 0.357 0.615 0.350 0.079     230.919     300.000       6.633    7 
+    690000        6900.00      28.834     -41.492     -12.658   3.65 0.286 0.600 0.336 0.096     261.600     300.000       6.874    7 
+    700000        7000.00      26.765     -39.421     -12.656   3.82 0.429 0.600 0.430 0.091     242.827     300.000       6.498    7 
+    710000        7100.00      29.451     -42.107     -12.656   3.72 0.500 0.533 0.324 0.096     267.193     300.000       6.490    7 
+    720000        7200.00      23.799     -36.454     -12.656   3.35 0.286 0.556 0.449 0.065     215.915     300.000       7.256    7 
+    730000        7300.00      31.013     -43.669     -12.656   3.69 0.357 0.615 0.343 0.069     281.368     300.000       6.615    7 
+    740000        7400.00      25.325     -37.980     -12.654   3.14 0.286 0.750 0.324 0.052     229.765     300.000       6.939    7 
+    750000        7500.00      28.094     -40.752     -12.658   3.60 0.214 0.667 0.449 0.043     254.887     300.000       6.526    7 
+    760000        7600.00      27.826     -40.485     -12.659   3.84 0.286 0.714 0.295 0.081     252.452     300.000       6.710    7 
+    770000        7700.00      33.466     -46.125     -12.659   2.85 0.286 0.636 0.298 0.045     303.624     300.000       6.967    7 
+    780000        7800.00      24.214     -36.874     -12.660   2.78 0.357 0.375 0.352 0.077     219.678     300.000       7.083    7 
+    790000        7900.00      25.980     -38.640     -12.660   3.26 0.429 0.571 0.312 0.049     235.704     300.000       6.610    7 
+    800000        8000.00      26.215     -38.874     -12.659   2.76 0.286 0.636 0.293 0.070     237.834     300.000       6.917    7 
+    810000        8100.00      36.494     -49.154     -12.660   3.72 0.429 0.684 0.344 0.061     331.090     300.000       6.312    7 
+    820000        8200.00      33.680     -46.341     -12.661   3.20 0.357 0.615 0.339 0.056     305.565     300.000       6.960    7 
+    830000        8300.00      27.845     -40.504     -12.659   3.20 0.357 0.545 0.318 0.062     252.624     300.000       6.676    7 
+    840000        8400.00      30.582     -43.241     -12.659   3.69 0.357 0.643 0.360 0.039     277.455     300.000       6.473    7 
+    850000        8500.00      33.760     -46.421     -12.661   3.43 0.286 0.750 0.375 0.056     306.288     300.000       6.356    7 
+    860000        8600.00      27.064     -39.725     -12.661   3.67 0.357 0.643 0.334 0.050     245.538     300.000       6.513    7 
+    870000        8700.00      34.933     -47.593     -12.660   3.37 0.286 0.765 0.356 0.143     316.930     300.000       6.556    7 
+    880000        8800.00      33.991     -46.654     -12.662   3.19 0.500 0.533 0.297 0.057     308.388     300.000       6.910    7 
+    890000        8900.00      34.338     -46.999     -12.661   3.10 0.286 0.750 0.384 0.072     311.530     300.000       6.527    7 
+    900000        9000.00      36.521     -49.182     -12.661   3.58 0.357 0.545 0.388 0.094     331.335     300.000       6.437    7 
+    910000        9100.00      28.938     -41.599     -12.661   4.46 0.143 0.714 0.416 0.074     262.542     300.000       6.700    7 
+    920000        9200.00      29.277     -41.938     -12.660   3.97 0.214 0.700 0.277 0.049     265.619     300.000       7.018    7 
+    930000        9300.00      29.117     -41.779     -12.662   3.26 0.214 0.786 0.367 0.082     264.164     300.000       6.859    7 
+    940000        9400.00      34.561     -47.222     -12.661   3.82 0.214 0.700 0.305 0.078     313.556     300.000       6.892    7 
+    950000        9500.00      28.702     -41.363     -12.661   3.24 0.143 0.333 0.242 0.067     260.402     300.000       7.787    7 
+    960000        9600.00      28.176     -40.834     -12.658   3.46 0.286 0.600 0.400 0.031     255.627     300.000       7.284    7 
+    970000        9700.00      29.196     -41.855     -12.659   3.45 0.214 0.750 0.322 0.078     264.881     300.000       7.481    7 
+    980000        9800.00      34.791     -47.454     -12.663   3.57 0.214 0.769 0.266 0.070     315.642     300.000       7.027    7 
+    990000        9900.00      34.547     -47.211     -12.664   3.56 0.286 0.692 0.311 0.062     313.424     300.000       6.538    7 
+   1000000       10000.00      24.178     -36.838     -12.660   3.36 0.357 0.444 0.253 0.057     219.356     300.000       7.034    7 
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD000.cx b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD000.cx
index ab49e1adfdd3542c25450cb697dc32b513768fe2..beda0c83bfec4e9dd34229831c2bfcec6422f38a 100644
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD001.cx b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD001.cx
index 9780f636308ea105b95e184f0eae680091045f71..1b05723286865d9128e2e609742f984ce581f82a 100644
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD002.cx b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD002.cx
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD003.cx b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD003.cx
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD005.cx b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD005.cx
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD007.cx b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_MD007.cx
index b55d6118d2e45d19dba17aa534d7202321a1a8d5..50010a737014bdb236427e6357aae4b446ead3bb 100644
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diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/fort.2 b/examples/unres/new/microcanonical/VTS/ff_gab/fort.2
index f486b2a..9efd00f 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/fort.2
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/fort.2
@@ -3,11 +3,11 @@
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.95312E-02
-           Energy & gradient evaluation:    2.52324E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    2.66504E+02
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    2.78785E+02
+                               MD steps:    2.98812E+02
 
 
 ============================  End of MD calculation  ===========================
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/unres.csh b/examples/unres/new/microcanonical/VTS/ff_gab/unres.csh
index 2632a37..3759520 100755
--- a/examples/unres/new/microcanonical/VTS/ff_gab/unres.csh
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/unres.csh
@@ -5,9 +5,9 @@ setenv PREFIX 1L2Y_micro
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
 #setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
-setenv UNRES_BIN /users/pk376/DLAPAWLA/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
 #-----------------------------------------------------------------------------
-setenv DD /users/aks255/newUNRES/unres/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
 setenv ROTPAR $DD/scgauss.parm
-- 
1.7.9.5